USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=13 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 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180: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= -0.0698 K(o=-0.07,f=-0.61) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 81:sc= 0.699 USER MOD Single : A 82 THR OG1 : rot 76:sc= 0.775 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 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 116 N SER A 9 -11.212 -12.716 1.215 1.00 0.00 N ATOM 117 CA SER A 9 -10.445 -13.062 2.399 1.00 0.00 C ATOM 118 C SER A 9 -11.372 -13.165 3.611 1.00 0.00 C ATOM 119 O SER A 9 -11.439 -14.208 4.260 1.00 0.00 O ATOM 120 CB SER A 9 -9.341 -12.035 2.661 1.00 0.00 C ATOM 121 OG SER A 9 -8.204 -12.250 1.830 1.00 0.00 O ATOM 0 HA SER A 9 -9.971 -14.029 2.228 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.731 -11.032 2.489 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.040 -12.085 3.707 1.00 0.00 H new ATOM 0 HG SER A 9 -7.523 -11.573 2.026 1.00 0.00 H new ATOM 127 N GLY A 10 -12.065 -12.068 3.881 1.00 0.00 N ATOM 128 CA GLY A 10 -12.986 -12.022 5.004 1.00 0.00 C ATOM 129 C GLY A 10 -12.468 -11.087 6.099 1.00 0.00 C ATOM 130 O GLY A 10 -11.923 -10.024 5.807 1.00 0.00 O ATOM 0 H GLY A 10 -12.007 -11.204 3.341 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -13.964 -11.682 4.663 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -13.120 -13.025 5.410 1.00 0.00 H new ATOM 134 N ARG A 11 -12.657 -11.517 7.338 1.00 0.00 N ATOM 135 CA ARG A 11 -12.216 -10.732 8.478 1.00 0.00 C ATOM 136 C ARG A 11 -10.688 -10.729 8.562 1.00 0.00 C ATOM 137 O ARG A 11 -10.074 -9.675 8.720 1.00 0.00 O ATOM 138 CB ARG A 11 -12.790 -11.287 9.784 1.00 0.00 C ATOM 139 CG ARG A 11 -13.648 -10.239 10.494 1.00 0.00 C ATOM 140 CD ARG A 11 -14.023 -10.701 11.904 1.00 0.00 C ATOM 141 NE ARG A 11 -12.868 -10.537 12.814 1.00 0.00 N ATOM 142 CZ ARG A 11 -12.493 -9.359 13.357 1.00 0.00 C ATOM 143 NH1 ARG A 11 -13.181 -8.230 13.086 1.00 0.00 N ATOM 144 NH2 ARG A 11 -11.444 -9.328 14.158 1.00 0.00 N ATOM 0 H ARG A 11 -13.110 -12.399 7.577 1.00 0.00 H new ATOM 0 HA ARG A 11 -12.578 -9.713 8.339 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -13.390 -12.172 9.574 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -11.977 -11.601 10.439 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -13.105 -9.296 10.549 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -14.553 -10.052 9.916 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -14.871 -10.123 12.271 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -14.334 -11.745 11.883 1.00 0.00 H new ATOM 0 HE ARG A 11 -12.321 -11.366 13.046 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -13.991 -8.263 12.467 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -12.891 -7.344 13.500 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -10.930 -10.186 14.359 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -11.148 -8.446 14.576 1.00 0.00 H new ATOM 158 N ALA A 12 -10.119 -11.920 8.451 1.00 0.00 N ATOM 159 CA ALA A 12 -8.675 -12.068 8.511 1.00 0.00 C ATOM 160 C ALA A 12 -8.017 -10.933 7.724 1.00 0.00 C ATOM 161 O ALA A 12 -6.952 -10.446 8.102 1.00 0.00 O ATOM 162 CB ALA A 12 -8.280 -13.449 7.983 1.00 0.00 C ATOM 0 H ALA A 12 -10.632 -12.792 8.320 1.00 0.00 H new ATOM 0 HA ALA A 12 -8.325 -12.001 9.541 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.197 -13.560 8.028 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.749 -14.220 8.594 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -8.612 -13.552 6.950 1.00 0.00 H new ATOM 168 N ALA A 13 -8.678 -10.544 6.643 1.00 0.00 N ATOM 169 CA ALA A 13 -8.171 -9.476 5.800 1.00 0.00 C ATOM 170 C ALA A 13 -7.639 -8.344 6.681 1.00 0.00 C ATOM 171 O ALA A 13 -6.469 -7.975 6.586 1.00 0.00 O ATOM 172 CB ALA A 13 -9.276 -9.006 4.851 1.00 0.00 C ATOM 0 H ALA A 13 -9.561 -10.950 6.332 1.00 0.00 H new ATOM 0 HA ALA A 13 -7.344 -9.832 5.186 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -8.895 -8.204 4.218 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -9.598 -9.839 4.227 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.123 -8.639 5.432 1.00 0.00 H new ATOM 178 N VAL A 14 -8.524 -7.824 7.520 1.00 0.00 N ATOM 179 CA VAL A 14 -8.158 -6.742 8.418 1.00 0.00 C ATOM 180 C VAL A 14 -6.791 -7.039 9.037 1.00 0.00 C ATOM 181 O VAL A 14 -5.917 -6.174 9.065 1.00 0.00 O ATOM 182 CB VAL A 14 -9.256 -6.537 9.463 1.00 0.00 C ATOM 183 CG1 VAL A 14 -8.822 -5.519 10.521 1.00 0.00 C ATOM 184 CG2 VAL A 14 -10.570 -6.115 8.803 1.00 0.00 C ATOM 0 H VAL A 14 -9.493 -8.132 7.596 1.00 0.00 H new ATOM 0 HA VAL A 14 -8.069 -5.804 7.870 1.00 0.00 H new ATOM 0 HB VAL A 14 -9.424 -7.490 9.964 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -9.620 -5.391 11.252 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -7.924 -5.877 11.024 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -8.613 -4.563 10.042 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -11.333 -5.976 9.568 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -10.422 -5.179 8.264 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -10.892 -6.889 8.106 1.00 0.00 H new ATOM 194 N ALA A 15 -6.648 -8.266 9.517 1.00 0.00 N ATOM 195 CA ALA A 15 -5.402 -8.687 10.134 1.00 0.00 C ATOM 196 C ALA A 15 -4.249 -8.454 9.156 1.00 0.00 C ATOM 197 O ALA A 15 -3.222 -7.887 9.525 1.00 0.00 O ATOM 198 CB ALA A 15 -5.515 -10.151 10.564 1.00 0.00 C ATOM 0 H ALA A 15 -7.374 -8.982 9.491 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.199 -8.099 11.029 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.580 -10.467 11.027 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.329 -10.258 11.281 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.716 -10.772 9.691 1.00 0.00 H new ATOM 204 N ALA A 16 -4.458 -8.903 7.927 1.00 0.00 N ATOM 205 CA ALA A 16 -3.449 -8.750 6.893 1.00 0.00 C ATOM 206 C ALA A 16 -3.149 -7.263 6.695 1.00 0.00 C ATOM 207 O ALA A 16 -2.051 -6.897 6.278 1.00 0.00 O ATOM 208 CB ALA A 16 -3.930 -9.424 5.606 1.00 0.00 C ATOM 0 H ALA A 16 -5.311 -9.373 7.624 1.00 0.00 H new ATOM 0 HA ALA A 16 -2.520 -9.237 7.189 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.173 -9.309 4.830 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.101 -10.484 5.792 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.860 -8.959 5.277 1.00 0.00 H new ATOM 214 N VAL A 17 -4.145 -6.445 7.003 1.00 0.00 N ATOM 215 CA VAL A 17 -4.002 -5.006 6.864 1.00 0.00 C ATOM 216 C VAL A 17 -3.243 -4.454 8.073 1.00 0.00 C ATOM 217 O VAL A 17 -2.575 -3.426 7.974 1.00 0.00 O ATOM 218 CB VAL A 17 -5.375 -4.359 6.673 1.00 0.00 C ATOM 219 CG1 VAL A 17 -5.244 -2.853 6.436 1.00 0.00 C ATOM 220 CG2 VAL A 17 -6.144 -5.029 5.533 1.00 0.00 C ATOM 0 H VAL A 17 -5.054 -6.752 7.348 1.00 0.00 H new ATOM 0 HA VAL A 17 -3.418 -4.764 5.976 1.00 0.00 H new ATOM 0 HB VAL A 17 -5.944 -4.505 7.591 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -6.235 -2.418 6.303 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.757 -2.391 7.294 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.647 -2.676 5.541 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.116 -4.550 5.419 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.580 -4.930 4.606 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -6.285 -6.086 5.761 1.00 0.00 H new ATOM 230 N VAL A 18 -3.372 -5.162 9.185 1.00 0.00 N ATOM 231 CA VAL A 18 -2.708 -4.755 10.412 1.00 0.00 C ATOM 232 C VAL A 18 -1.250 -5.219 10.374 1.00 0.00 C ATOM 233 O VAL A 18 -0.365 -4.537 10.889 1.00 0.00 O ATOM 234 CB VAL A 18 -3.474 -5.290 11.624 1.00 0.00 C ATOM 235 CG1 VAL A 18 -2.767 -6.505 12.227 1.00 0.00 C ATOM 236 CG2 VAL A 18 -3.672 -4.194 12.673 1.00 0.00 C ATOM 0 H VAL A 18 -3.926 -6.015 9.262 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.702 -3.669 10.502 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.459 -5.611 11.284 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.332 -6.865 13.087 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.700 -7.295 11.479 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.764 -6.221 12.545 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.219 -4.600 13.524 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.700 -3.830 13.006 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.238 -3.371 12.237 1.00 0.00 H new ATOM 246 N GLY A 19 -1.046 -6.375 9.760 1.00 0.00 N ATOM 247 CA GLY A 19 0.290 -6.938 9.649 1.00 0.00 C ATOM 248 C GLY A 19 1.257 -5.933 9.020 1.00 0.00 C ATOM 249 O GLY A 19 1.353 -5.840 7.797 1.00 0.00 O ATOM 0 H GLY A 19 -1.783 -6.937 9.334 1.00 0.00 H new ATOM 0 HA2 GLY A 19 0.650 -7.226 10.637 1.00 0.00 H new ATOM 0 HA3 GLY A 19 0.258 -7.844 9.045 1.00 0.00 H new ATOM 253 N GLY A 20 1.950 -5.207 9.885 1.00 0.00 N ATOM 254 CA GLY A 20 2.907 -4.213 9.429 1.00 0.00 C ATOM 255 C GLY A 20 2.475 -2.805 9.846 1.00 0.00 C ATOM 256 O GLY A 20 2.622 -1.854 9.079 1.00 0.00 O ATOM 0 H GLY A 20 1.868 -5.287 10.899 1.00 0.00 H new ATOM 0 HA2 GLY A 20 3.891 -4.433 9.843 1.00 0.00 H new ATOM 0 HA3 GLY A 20 3.000 -4.263 8.344 1.00 0.00 H new ATOM 260 N VAL A 21 1.952 -2.716 11.059 1.00 0.00 N ATOM 261 CA VAL A 21 1.498 -1.441 11.587 1.00 0.00 C ATOM 262 C VAL A 21 2.561 -0.374 11.317 1.00 0.00 C ATOM 263 O VAL A 21 2.273 0.655 10.708 1.00 0.00 O ATOM 264 CB VAL A 21 1.155 -1.581 13.072 1.00 0.00 C ATOM 265 CG1 VAL A 21 2.347 -2.128 13.860 1.00 0.00 C ATOM 266 CG2 VAL A 21 0.679 -0.248 13.653 1.00 0.00 C ATOM 0 H VAL A 21 1.832 -3.507 11.692 1.00 0.00 H new ATOM 0 HA VAL A 21 0.584 -1.124 11.085 1.00 0.00 H new ATOM 0 HB VAL A 21 0.337 -2.296 13.161 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.077 -2.218 14.912 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.621 -3.108 13.471 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.193 -1.448 13.759 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.442 -0.375 14.709 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.467 0.498 13.545 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.211 0.085 13.119 1.00 0.00 H new ATOM 276 N VAL A 22 3.769 -0.657 11.783 1.00 0.00 N ATOM 277 CA VAL A 22 4.877 0.265 11.599 1.00 0.00 C ATOM 278 C VAL A 22 4.951 0.680 10.129 1.00 0.00 C ATOM 279 O VAL A 22 5.091 1.862 9.820 1.00 0.00 O ATOM 280 CB VAL A 22 6.174 -0.368 12.108 1.00 0.00 C ATOM 281 CG1 VAL A 22 7.379 0.516 11.782 1.00 0.00 C ATOM 282 CG2 VAL A 22 6.093 -0.653 13.609 1.00 0.00 C ATOM 0 H VAL A 22 4.005 -1.512 12.288 1.00 0.00 H new ATOM 0 HA VAL A 22 4.721 1.171 12.185 1.00 0.00 H new ATOM 0 HB VAL A 22 6.307 -1.320 11.594 1.00 0.00 H new ATOM 0 HG11 VAL A 22 8.288 0.044 12.154 1.00 0.00 H new ATOM 0 HG12 VAL A 22 7.454 0.646 10.702 1.00 0.00 H new ATOM 0 HG13 VAL A 22 7.255 1.489 12.257 1.00 0.00 H new ATOM 0 HG21 VAL A 22 7.027 -1.103 13.945 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.925 0.279 14.148 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.269 -1.339 13.805 1.00 0.00 H new ATOM 292 N ALA A 23 4.852 -0.316 9.260 1.00 0.00 N ATOM 293 CA ALA A 23 4.906 -0.069 7.829 1.00 0.00 C ATOM 294 C ALA A 23 3.841 0.964 7.454 1.00 0.00 C ATOM 295 O ALA A 23 4.084 1.837 6.623 1.00 0.00 O ATOM 296 CB ALA A 23 4.730 -1.389 7.076 1.00 0.00 C ATOM 0 H ALA A 23 4.735 -1.295 9.520 1.00 0.00 H new ATOM 0 HA ALA A 23 5.876 0.340 7.546 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.770 -1.204 6.003 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.528 -2.077 7.356 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.766 -1.828 7.332 1.00 0.00 H new ATOM 302 N VAL A 24 2.684 0.829 8.085 1.00 0.00 N ATOM 303 CA VAL A 24 1.581 1.739 7.827 1.00 0.00 C ATOM 304 C VAL A 24 1.910 3.112 8.416 1.00 0.00 C ATOM 305 O VAL A 24 1.427 4.133 7.928 1.00 0.00 O ATOM 306 CB VAL A 24 0.278 1.151 8.375 1.00 0.00 C ATOM 307 CG1 VAL A 24 -0.909 2.063 8.062 1.00 0.00 C ATOM 308 CG2 VAL A 24 0.044 -0.260 7.833 1.00 0.00 C ATOM 0 H VAL A 24 2.486 0.103 8.774 1.00 0.00 H new ATOM 0 HA VAL A 24 1.438 1.870 6.755 1.00 0.00 H new ATOM 0 HB VAL A 24 0.370 1.083 9.459 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.822 1.622 8.462 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.748 3.040 8.518 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.005 2.178 6.982 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.888 -0.655 8.237 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.018 -0.226 6.745 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.871 -0.905 8.130 1.00 0.00 H new ATOM 318 N GLY A 25 2.731 3.094 9.456 1.00 0.00 N ATOM 319 CA GLY A 25 3.131 4.325 10.116 1.00 0.00 C ATOM 320 C GLY A 25 3.998 5.184 9.194 1.00 0.00 C ATOM 321 O GLY A 25 3.672 6.340 8.928 1.00 0.00 O ATOM 0 H GLY A 25 3.130 2.246 9.858 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.246 4.886 10.415 1.00 0.00 H new ATOM 0 HA3 GLY A 25 3.683 4.091 11.026 1.00 0.00 H new ATOM 325 N THR A 26 5.086 4.587 8.731 1.00 0.00 N ATOM 326 CA THR A 26 6.003 5.283 7.844 1.00 0.00 C ATOM 327 C THR A 26 5.298 5.665 6.541 1.00 0.00 C ATOM 328 O THR A 26 5.445 6.786 6.057 1.00 0.00 O ATOM 329 CB THR A 26 7.227 4.390 7.634 1.00 0.00 C ATOM 330 OG1 THR A 26 7.967 4.523 8.844 1.00 0.00 O ATOM 331 CG2 THR A 26 8.171 4.933 6.559 1.00 0.00 C ATOM 0 H THR A 26 5.354 3.628 8.953 1.00 0.00 H new ATOM 0 HA THR A 26 6.340 6.223 8.282 1.00 0.00 H new ATOM 0 HB THR A 26 6.900 3.387 7.358 1.00 0.00 H new ATOM 0 HG1 THR A 26 8.777 3.974 8.794 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.023 4.262 6.450 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.640 5.002 5.610 1.00 0.00 H new ATOM 0 HG23 THR A 26 8.524 5.922 6.851 1.00 0.00 H new ATOM 339 N VAL A 27 4.548 4.710 6.010 1.00 0.00 N ATOM 340 CA VAL A 27 3.820 4.932 4.772 1.00 0.00 C ATOM 341 C VAL A 27 2.964 6.193 4.909 1.00 0.00 C ATOM 342 O VAL A 27 3.106 7.132 4.127 1.00 0.00 O ATOM 343 CB VAL A 27 3.003 3.689 4.416 1.00 0.00 C ATOM 344 CG1 VAL A 27 1.815 4.052 3.521 1.00 0.00 C ATOM 345 CG2 VAL A 27 3.882 2.625 3.756 1.00 0.00 C ATOM 0 H VAL A 27 4.429 3.781 6.414 1.00 0.00 H new ATOM 0 HA VAL A 27 4.511 5.097 3.945 1.00 0.00 H new ATOM 0 HB VAL A 27 2.609 3.270 5.342 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.250 3.151 3.282 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.169 4.758 4.043 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.179 4.507 2.600 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.276 1.752 3.513 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.319 3.029 2.843 1.00 0.00 H new ATOM 0 HG23 VAL A 27 4.678 2.335 4.441 1.00 0.00 H new ATOM 355 N LEU A 28 2.093 6.172 5.907 1.00 0.00 N ATOM 356 CA LEU A 28 1.213 7.302 6.156 1.00 0.00 C ATOM 357 C LEU A 28 2.055 8.560 6.373 1.00 0.00 C ATOM 358 O LEU A 28 1.805 9.593 5.754 1.00 0.00 O ATOM 359 CB LEU A 28 0.259 6.993 7.311 1.00 0.00 C ATOM 360 CG LEU A 28 -0.475 8.193 7.914 1.00 0.00 C ATOM 361 CD1 LEU A 28 -1.822 8.416 7.223 1.00 0.00 C ATOM 362 CD2 LEU A 28 -0.626 8.039 9.429 1.00 0.00 C ATOM 0 H LEU A 28 1.978 5.391 6.553 1.00 0.00 H new ATOM 0 HA LEU A 28 0.578 7.489 5.290 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.484 6.276 6.961 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.826 6.503 8.103 1.00 0.00 H new ATOM 0 HG LEU A 28 0.127 9.085 7.740 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.323 9.274 7.671 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.660 8.603 6.162 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.444 7.529 7.344 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.151 8.905 9.832 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.195 7.136 9.648 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.360 7.967 9.887 1.00 0.00 H new ATOM 374 N VAL A 29 3.036 8.433 7.254 1.00 0.00 N ATOM 375 CA VAL A 29 3.917 9.547 7.560 1.00 0.00 C ATOM 376 C VAL A 29 4.242 10.304 6.271 1.00 0.00 C ATOM 377 O VAL A 29 4.103 11.525 6.211 1.00 0.00 O ATOM 378 CB VAL A 29 5.165 9.043 8.288 1.00 0.00 C ATOM 379 CG1 VAL A 29 6.296 10.071 8.213 1.00 0.00 C ATOM 380 CG2 VAL A 29 4.845 8.686 9.741 1.00 0.00 C ATOM 0 H VAL A 29 3.240 7.575 7.766 1.00 0.00 H new ATOM 0 HA VAL A 29 3.425 10.249 8.234 1.00 0.00 H new ATOM 0 HB VAL A 29 5.502 8.136 7.786 1.00 0.00 H new ATOM 0 HG11 VAL A 29 7.171 9.688 8.738 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.551 10.256 7.170 1.00 0.00 H new ATOM 0 HG13 VAL A 29 5.973 11.002 8.678 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.749 8.331 10.236 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.471 9.569 10.259 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.087 7.903 9.765 1.00 0.00 H new ATOM 390 N ALA A 30 4.669 9.548 5.270 1.00 0.00 N ATOM 391 CA ALA A 30 5.015 10.132 3.986 1.00 0.00 C ATOM 392 C ALA A 30 3.741 10.616 3.291 1.00 0.00 C ATOM 393 O ALA A 30 3.687 11.743 2.800 1.00 0.00 O ATOM 394 CB ALA A 30 5.782 9.107 3.148 1.00 0.00 C ATOM 0 H ALA A 30 4.783 8.536 5.323 1.00 0.00 H new ATOM 0 HA ALA A 30 5.666 10.996 4.121 1.00 0.00 H new ATOM 0 HB1 ALA A 30 6.041 9.546 2.184 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.693 8.817 3.672 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.159 8.227 2.990 1.00 0.00 H new ATOM 400 N LEU A 31 2.747 9.740 3.271 1.00 0.00 N ATOM 401 CA LEU A 31 1.476 10.064 2.644 1.00 0.00 C ATOM 402 C LEU A 31 1.096 11.506 2.987 1.00 0.00 C ATOM 403 O LEU A 31 1.053 12.366 2.108 1.00 0.00 O ATOM 404 CB LEU A 31 0.410 9.038 3.032 1.00 0.00 C ATOM 405 CG LEU A 31 -0.954 9.200 2.358 1.00 0.00 C ATOM 406 CD1 LEU A 31 -1.544 10.583 2.640 1.00 0.00 C ATOM 407 CD2 LEU A 31 -0.861 8.912 0.858 1.00 0.00 C ATOM 0 H LEU A 31 2.796 8.806 3.679 1.00 0.00 H new ATOM 0 HA LEU A 31 1.561 10.006 1.559 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.791 8.043 2.802 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.267 9.083 4.112 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.636 8.466 2.786 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.513 10.672 2.150 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.668 10.713 3.715 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.872 11.350 2.257 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.844 9.034 0.402 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.159 9.606 0.397 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.514 7.890 0.705 1.00 0.00 H new ATOM 419 N SER A 32 0.831 11.726 4.266 1.00 0.00 N ATOM 420 CA SER A 32 0.456 13.049 4.736 1.00 0.00 C ATOM 421 C SER A 32 1.667 13.983 4.692 1.00 0.00 C ATOM 422 O SER A 32 1.687 14.942 3.923 1.00 0.00 O ATOM 423 CB SER A 32 -0.116 12.988 6.154 1.00 0.00 C ATOM 424 OG SER A 32 -1.425 12.426 6.178 1.00 0.00 O ATOM 0 H SER A 32 0.868 11.010 4.992 1.00 0.00 H new ATOM 0 HA SER A 32 -0.320 13.439 4.077 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.545 12.395 6.786 1.00 0.00 H new ATOM 0 HB3 SER A 32 -0.145 13.992 6.577 1.00 0.00 H new ATOM 0 HG SER A 32 -1.754 12.403 7.101 1.00 0.00 H new ATOM 430 N ALA A 33 2.647 13.669 5.526 1.00 0.00 N ATOM 431 CA ALA A 33 3.859 14.468 5.592 1.00 0.00 C ATOM 432 C ALA A 33 4.885 13.912 4.603 1.00 0.00 C ATOM 433 O ALA A 33 5.730 13.098 4.971 1.00 0.00 O ATOM 434 CB ALA A 33 4.383 14.483 7.029 1.00 0.00 C ATOM 0 H ALA A 33 2.627 12.872 6.162 1.00 0.00 H new ATOM 0 HA ALA A 33 3.654 15.501 5.309 1.00 0.00 H new ATOM 0 HB1 ALA A 33 5.292 15.082 7.079 1.00 0.00 H new ATOM 0 HB2 ALA A 33 3.628 14.914 7.687 1.00 0.00 H new ATOM 0 HB3 ALA A 33 4.603 13.464 7.347 1.00 0.00 H new ATOM 440 N MET A 34 4.777 14.374 3.366 1.00 0.00 N ATOM 441 CA MET A 34 5.686 13.934 2.320 1.00 0.00 C ATOM 442 C MET A 34 7.142 14.064 2.769 1.00 0.00 C ATOM 443 O MET A 34 8.000 13.297 2.335 1.00 0.00 O ATOM 444 CB MET A 34 5.462 14.775 1.062 1.00 0.00 C ATOM 445 CG MET A 34 4.410 14.134 0.154 1.00 0.00 C ATOM 446 SD MET A 34 5.046 13.986 -1.507 1.00 0.00 S ATOM 447 CE MET A 34 5.751 12.348 -1.424 1.00 0.00 C ATOM 0 H MET A 34 4.074 15.049 3.064 1.00 0.00 H new ATOM 0 HA MET A 34 5.484 12.884 2.107 1.00 0.00 H new ATOM 0 HB2 MET A 34 5.142 15.778 1.343 1.00 0.00 H new ATOM 0 HB3 MET A 34 6.401 14.880 0.519 1.00 0.00 H new ATOM 0 HG2 MET A 34 4.138 13.150 0.537 1.00 0.00 H new ATOM 0 HG3 MET A 34 3.503 14.738 0.152 1.00 0.00 H new ATOM 0 HE1 MET A 34 6.195 12.094 -2.386 1.00 0.00 H new ATOM 0 HE2 MET A 34 6.520 12.321 -0.652 1.00 0.00 H new ATOM 0 HE3 MET A 34 4.970 11.627 -1.183 1.00 0.00 H new ATOM 457 N GLY A 35 7.377 15.041 3.633 1.00 0.00 N ATOM 458 CA GLY A 35 8.715 15.282 4.146 1.00 0.00 C ATOM 459 C GLY A 35 8.849 16.709 4.680 1.00 0.00 C ATOM 460 O GLY A 35 9.848 17.380 4.426 1.00 0.00 O ATOM 0 H GLY A 35 6.663 15.675 3.991 1.00 0.00 H new ATOM 0 HA2 GLY A 35 8.937 14.570 4.941 1.00 0.00 H new ATOM 0 HA3 GLY A 35 9.447 15.116 3.355 1.00 0.00 H new ATOM 464 N PHE A 36 7.828 17.131 5.412 1.00 0.00 N ATOM 465 CA PHE A 36 7.819 18.466 5.985 1.00 0.00 C ATOM 466 C PHE A 36 6.866 18.544 7.179 1.00 0.00 C ATOM 467 O PHE A 36 5.946 17.737 7.297 1.00 0.00 O ATOM 468 CB PHE A 36 7.328 19.418 4.892 1.00 0.00 C ATOM 469 CG PHE A 36 8.419 19.857 3.913 1.00 0.00 C ATOM 470 CD1 PHE A 36 9.306 20.823 4.271 1.00 0.00 C ATOM 471 CD2 PHE A 36 8.500 19.281 2.683 1.00 0.00 C ATOM 472 CE1 PHE A 36 10.318 21.230 3.362 1.00 0.00 C ATOM 473 CE2 PHE A 36 9.512 19.688 1.774 1.00 0.00 C ATOM 474 CZ PHE A 36 10.400 20.653 2.132 1.00 0.00 C ATOM 0 H PHE A 36 7.001 16.572 5.621 1.00 0.00 H new ATOM 0 HA PHE A 36 8.818 18.728 6.334 1.00 0.00 H new ATOM 0 HB2 PHE A 36 6.528 18.932 4.334 1.00 0.00 H new ATOM 0 HB3 PHE A 36 6.898 20.303 5.361 1.00 0.00 H new ATOM 0 HD1 PHE A 36 9.241 21.281 5.247 1.00 0.00 H new ATOM 0 HD2 PHE A 36 7.795 18.514 2.398 1.00 0.00 H new ATOM 0 HE1 PHE A 36 11.023 21.997 3.647 1.00 0.00 H new ATOM 0 HE2 PHE A 36 9.576 19.231 0.798 1.00 0.00 H new ATOM 0 HZ PHE A 36 11.170 20.962 1.441 1.00 0.00 H new ATOM 484 N THR A 37 7.120 19.523 8.035 1.00 0.00 N ATOM 485 CA THR A 37 6.296 19.717 9.216 1.00 0.00 C ATOM 486 C THR A 37 4.813 19.632 8.851 1.00 0.00 C ATOM 487 O THR A 37 4.355 20.313 7.935 1.00 0.00 O ATOM 488 CB THR A 37 6.690 21.051 9.853 1.00 0.00 C ATOM 489 OG1 THR A 37 8.055 20.871 10.221 1.00 0.00 O ATOM 490 CG2 THR A 37 5.975 21.298 11.183 1.00 0.00 C ATOM 0 H THR A 37 7.885 20.190 7.934 1.00 0.00 H new ATOM 0 HA THR A 37 6.463 18.928 9.949 1.00 0.00 H new ATOM 0 HB THR A 37 6.464 21.864 9.163 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.391 21.690 10.641 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.290 22.258 11.593 1.00 0.00 H new ATOM 0 HG22 THR A 37 4.897 21.309 11.020 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.228 20.503 11.885 1.00 0.00 H new ATOM 498 N SER A 38 4.103 18.789 9.587 1.00 0.00 N ATOM 499 CA SER A 38 2.681 18.606 9.352 1.00 0.00 C ATOM 500 C SER A 38 1.885 19.068 10.574 1.00 0.00 C ATOM 501 O SER A 38 0.659 19.151 10.526 1.00 0.00 O ATOM 502 CB SER A 38 2.359 17.145 9.031 1.00 0.00 C ATOM 503 OG SER A 38 2.898 16.253 10.004 1.00 0.00 O ATOM 0 H SER A 38 4.486 18.225 10.346 1.00 0.00 H new ATOM 0 HA SER A 38 2.396 19.210 8.491 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.278 17.015 8.979 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.758 16.893 8.048 1.00 0.00 H new ATOM 0 HG SER A 38 2.669 15.331 9.764 1.00 0.00 H new ATOM 509 N VAL A 39 2.615 19.358 11.641 1.00 0.00 N ATOM 510 CA VAL A 39 1.993 19.810 12.874 1.00 0.00 C ATOM 511 C VAL A 39 1.203 21.091 12.601 1.00 0.00 C ATOM 512 O VAL A 39 0.025 21.036 12.248 1.00 0.00 O ATOM 513 CB VAL A 39 3.053 19.982 13.963 1.00 0.00 C ATOM 514 CG1 VAL A 39 2.451 20.611 15.221 1.00 0.00 C ATOM 515 CG2 VAL A 39 3.729 18.648 14.287 1.00 0.00 C ATOM 0 H VAL A 39 3.632 19.289 11.677 1.00 0.00 H new ATOM 0 HA VAL A 39 1.288 19.065 13.241 1.00 0.00 H new ATOM 0 HB VAL A 39 3.816 20.660 13.582 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.226 20.722 15.979 1.00 0.00 H new ATOM 0 HG12 VAL A 39 2.039 21.590 14.977 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.658 19.969 15.605 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.478 18.799 15.064 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.981 17.937 14.637 1.00 0.00 H new ATOM 0 HG23 VAL A 39 4.210 18.257 13.391 1.00 0.00 H new ATOM 525 N GLY A 40 1.882 22.216 12.774 1.00 0.00 N ATOM 526 CA GLY A 40 1.258 23.509 12.551 1.00 0.00 C ATOM 527 C GLY A 40 0.326 23.466 11.338 1.00 0.00 C ATOM 528 O GLY A 40 -0.819 23.909 11.415 1.00 0.00 O ATOM 0 H GLY A 40 2.858 22.258 13.066 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.695 23.803 13.437 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.027 24.266 12.397 1.00 0.00 H new ATOM 532 N ILE A 41 0.852 22.929 10.247 1.00 0.00 N ATOM 533 CA ILE A 41 0.082 22.823 9.020 1.00 0.00 C ATOM 534 C ILE A 41 -1.290 22.221 9.334 1.00 0.00 C ATOM 535 O ILE A 41 -2.319 22.796 8.984 1.00 0.00 O ATOM 536 CB ILE A 41 0.866 22.046 7.960 1.00 0.00 C ATOM 537 CG1 ILE A 41 2.099 22.830 7.506 1.00 0.00 C ATOM 538 CG2 ILE A 41 -0.034 21.661 6.784 1.00 0.00 C ATOM 539 CD1 ILE A 41 1.697 24.056 6.684 1.00 0.00 C ATOM 0 H ILE A 41 1.802 22.563 10.187 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.092 23.811 8.594 1.00 0.00 H new ATOM 0 HB ILE A 41 1.221 21.119 8.410 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.675 23.144 8.376 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.746 22.185 6.911 1.00 0.00 H new ATOM 0 HG21 ILE A 41 0.548 21.110 6.045 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -0.852 21.036 7.141 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.440 22.563 6.326 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.592 24.595 6.374 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.142 23.737 5.802 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.070 24.711 7.290 1.00 0.00 H new ATOM 551 N ALA A 42 -1.259 21.071 9.990 1.00 0.00 N ATOM 552 CA ALA A 42 -2.487 20.385 10.356 1.00 0.00 C ATOM 553 C ALA A 42 -3.342 21.307 11.227 1.00 0.00 C ATOM 554 O ALA A 42 -4.570 21.261 11.168 1.00 0.00 O ATOM 555 CB ALA A 42 -2.147 19.069 11.058 1.00 0.00 C ATOM 0 H ALA A 42 -0.403 20.596 10.278 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.069 20.140 9.467 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.068 18.555 11.333 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -1.565 18.438 10.386 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.565 19.276 11.956 1.00 0.00 H new ATOM 561 N ALA A 43 -2.659 22.124 12.016 1.00 0.00 N ATOM 562 CA ALA A 43 -3.340 23.056 12.898 1.00 0.00 C ATOM 563 C ALA A 43 -4.042 24.126 12.059 1.00 0.00 C ATOM 564 O ALA A 43 -5.078 24.653 12.460 1.00 0.00 O ATOM 565 CB ALA A 43 -2.335 23.654 13.883 1.00 0.00 C ATOM 0 H ALA A 43 -1.641 22.160 12.063 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.103 22.543 13.483 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.846 24.353 14.545 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.887 22.856 14.475 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.555 24.180 13.333 1.00 0.00 H new ATOM 571 N SER A 44 -3.449 24.414 10.909 1.00 0.00 N ATOM 572 CA SER A 44 -4.004 25.411 10.011 1.00 0.00 C ATOM 573 C SER A 44 -5.269 24.868 9.343 1.00 0.00 C ATOM 574 O SER A 44 -6.339 25.465 9.453 1.00 0.00 O ATOM 575 CB SER A 44 -2.982 25.828 8.951 1.00 0.00 C ATOM 576 OG SER A 44 -3.313 27.077 8.352 1.00 0.00 O ATOM 0 H SER A 44 -2.590 23.974 10.579 1.00 0.00 H new ATOM 0 HA SER A 44 -4.260 26.294 10.597 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.994 25.895 9.407 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.926 25.060 8.180 1.00 0.00 H new ATOM 0 HG SER A 44 -2.636 27.308 7.683 1.00 0.00 H new ATOM 582 N SER A 45 -5.105 23.741 8.666 1.00 0.00 N ATOM 583 CA SER A 45 -6.220 23.110 7.980 1.00 0.00 C ATOM 584 C SER A 45 -7.332 22.786 8.979 1.00 0.00 C ATOM 585 O SER A 45 -8.498 23.093 8.737 1.00 0.00 O ATOM 586 CB SER A 45 -5.773 21.841 7.253 1.00 0.00 C ATOM 587 OG SER A 45 -5.887 21.968 5.838 1.00 0.00 O ATOM 0 H SER A 45 -4.216 23.248 8.578 1.00 0.00 H new ATOM 0 HA SER A 45 -6.602 23.807 7.234 1.00 0.00 H new ATOM 0 HB2 SER A 45 -4.739 21.619 7.515 1.00 0.00 H new ATOM 0 HB3 SER A 45 -6.376 20.998 7.591 1.00 0.00 H new ATOM 0 HG SER A 45 -5.590 21.138 5.410 1.00 0.00 H new ATOM 593 N ILE A 46 -6.932 22.169 10.082 1.00 0.00 N ATOM 594 CA ILE A 46 -7.881 21.800 11.119 1.00 0.00 C ATOM 595 C ILE A 46 -8.666 23.040 11.550 1.00 0.00 C ATOM 596 O ILE A 46 -9.893 23.063 11.464 1.00 0.00 O ATOM 597 CB ILE A 46 -7.166 21.093 12.272 1.00 0.00 C ATOM 598 CG1 ILE A 46 -6.676 19.707 11.846 1.00 0.00 C ATOM 599 CG2 ILE A 46 -8.058 21.029 13.513 1.00 0.00 C ATOM 600 CD1 ILE A 46 -5.643 19.163 12.835 1.00 0.00 C ATOM 0 H ILE A 46 -5.964 21.916 10.280 1.00 0.00 H new ATOM 0 HA ILE A 46 -8.605 21.081 10.735 1.00 0.00 H new ATOM 0 HB ILE A 46 -6.286 21.678 12.538 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.521 19.022 11.784 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -6.237 19.763 10.850 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -7.526 20.522 14.318 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -8.315 22.040 13.829 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -8.970 20.480 13.278 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.311 18.177 12.509 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.788 19.838 12.877 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -6.093 19.086 13.825 1.00 0.00 H new ATOM 612 N ALA A 47 -7.927 24.041 12.005 1.00 0.00 N ATOM 613 CA ALA A 47 -8.540 25.281 12.450 1.00 0.00 C ATOM 614 C ALA A 47 -9.561 25.743 11.409 1.00 0.00 C ATOM 615 O ALA A 47 -10.712 26.020 11.744 1.00 0.00 O ATOM 616 CB ALA A 47 -7.451 26.326 12.702 1.00 0.00 C ATOM 0 H ALA A 47 -6.910 24.019 12.075 1.00 0.00 H new ATOM 0 HA ALA A 47 -9.072 25.131 13.389 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -7.910 27.257 13.036 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -6.768 25.962 13.470 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -6.898 26.505 11.780 1.00 0.00 H new ATOM 622 N ALA A 48 -9.104 25.811 10.168 1.00 0.00 N ATOM 623 CA ALA A 48 -9.964 26.234 9.076 1.00 0.00 C ATOM 624 C ALA A 48 -11.322 25.541 9.204 1.00 0.00 C ATOM 625 O ALA A 48 -12.325 26.184 9.509 1.00 0.00 O ATOM 626 CB ALA A 48 -9.280 25.934 7.741 1.00 0.00 C ATOM 0 H ALA A 48 -8.149 25.580 9.894 1.00 0.00 H new ATOM 0 HA ALA A 48 -10.137 27.309 9.119 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -9.925 26.251 6.922 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -8.334 26.473 7.688 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -9.092 24.863 7.661 1.00 0.00 H new ATOM 632 N LYS A 49 -11.310 24.238 8.963 1.00 0.00 N ATOM 633 CA LYS A 49 -12.529 23.451 9.048 1.00 0.00 C ATOM 634 C LYS A 49 -12.170 21.963 9.048 1.00 0.00 C ATOM 635 O LYS A 49 -12.347 21.278 10.055 1.00 0.00 O ATOM 636 CB LYS A 49 -13.502 23.848 7.937 1.00 0.00 C ATOM 637 CG LYS A 49 -14.650 24.695 8.490 1.00 0.00 C ATOM 638 CD LYS A 49 -15.038 25.803 7.509 1.00 0.00 C ATOM 639 CE LYS A 49 -15.680 26.983 8.240 1.00 0.00 C ATOM 640 NZ LYS A 49 -16.900 27.429 7.531 1.00 0.00 N ATOM 0 H LYS A 49 -10.476 23.708 8.709 1.00 0.00 H new ATOM 0 HA LYS A 49 -13.050 23.655 9.984 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -12.971 24.407 7.167 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -13.902 22.952 7.462 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -15.514 24.059 8.686 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -14.355 25.135 9.443 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -14.153 26.142 6.970 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -15.732 25.409 6.767 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -15.930 26.694 9.261 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -14.970 27.807 8.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -17.324 28.231 8.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -16.652 27.724 6.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -17.583 26.646 7.489 1.00 0.00 H new ATOM 823 N ALA A 64 -9.965 9.715 -2.315 1.00 0.00 N ATOM 824 CA ALA A 64 -10.279 10.439 -3.535 1.00 0.00 C ATOM 825 C ALA A 64 -9.355 11.653 -3.655 1.00 0.00 C ATOM 826 O ALA A 64 -8.779 12.099 -2.664 1.00 0.00 O ATOM 827 CB ALA A 64 -11.758 10.831 -3.530 1.00 0.00 C ATOM 0 HA ALA A 64 -10.111 9.809 -4.409 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -11.994 11.374 -4.445 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -12.372 9.932 -3.473 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.963 11.466 -2.668 1.00 0.00 H new ATOM 833 N GLY A 65 -9.242 12.151 -4.877 1.00 0.00 N ATOM 834 CA GLY A 65 -8.398 13.304 -5.139 1.00 0.00 C ATOM 835 C GLY A 65 -6.994 12.870 -5.565 1.00 0.00 C ATOM 836 O GLY A 65 -6.741 11.683 -5.765 1.00 0.00 O ATOM 0 H GLY A 65 -9.721 11.777 -5.697 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -8.846 13.917 -5.921 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.335 13.924 -4.245 1.00 0.00 H new ATOM 840 N SER A 66 -6.117 13.856 -5.691 1.00 0.00 N ATOM 841 CA SER A 66 -4.745 13.591 -6.089 1.00 0.00 C ATOM 842 C SER A 66 -4.217 12.356 -5.356 1.00 0.00 C ATOM 843 O SER A 66 -3.374 11.631 -5.882 1.00 0.00 O ATOM 844 CB SER A 66 -3.847 14.798 -5.810 1.00 0.00 C ATOM 845 OG SER A 66 -3.404 15.423 -7.011 1.00 0.00 O ATOM 0 H SER A 66 -6.330 14.839 -5.524 1.00 0.00 H new ATOM 0 HA SER A 66 -4.731 13.403 -7.163 1.00 0.00 H new ATOM 0 HB2 SER A 66 -4.391 15.522 -5.204 1.00 0.00 H new ATOM 0 HB3 SER A 66 -2.983 14.480 -5.227 1.00 0.00 H new ATOM 0 HG SER A 66 -2.835 16.190 -6.790 1.00 0.00 H new ATOM 851 N LEU A 67 -4.734 12.154 -4.153 1.00 0.00 N ATOM 852 CA LEU A 67 -4.326 11.020 -3.343 1.00 0.00 C ATOM 853 C LEU A 67 -4.484 9.734 -4.157 1.00 0.00 C ATOM 854 O LEU A 67 -3.524 8.986 -4.337 1.00 0.00 O ATOM 855 CB LEU A 67 -5.088 11.006 -2.017 1.00 0.00 C ATOM 856 CG LEU A 67 -4.457 11.801 -0.872 1.00 0.00 C ATOM 857 CD1 LEU A 67 -3.015 11.355 -0.624 1.00 0.00 C ATOM 858 CD2 LEU A 67 -4.555 13.306 -1.131 1.00 0.00 C ATOM 0 H LEU A 67 -5.433 12.758 -3.720 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.272 11.102 -3.077 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.091 11.395 -2.193 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.199 9.970 -1.696 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.019 11.593 0.039 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.590 11.936 0.195 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.001 10.297 -0.363 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.425 11.514 -1.526 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.099 13.848 -0.302 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.033 13.551 -2.056 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.603 13.592 -1.219 1.00 0.00 H new ATOM 870 N VAL A 68 -5.703 9.516 -4.628 1.00 0.00 N ATOM 871 CA VAL A 68 -6.000 8.333 -5.418 1.00 0.00 C ATOM 872 C VAL A 68 -4.858 8.086 -6.406 1.00 0.00 C ATOM 873 O VAL A 68 -4.570 6.942 -6.754 1.00 0.00 O ATOM 874 CB VAL A 68 -7.360 8.489 -6.103 1.00 0.00 C ATOM 875 CG1 VAL A 68 -7.216 9.190 -7.455 1.00 0.00 C ATOM 876 CG2 VAL A 68 -8.053 7.134 -6.258 1.00 0.00 C ATOM 0 H VAL A 68 -6.497 10.139 -4.478 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.073 7.454 -4.778 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.986 9.115 -5.467 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.197 9.288 -7.920 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.784 10.180 -7.307 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.565 8.602 -8.102 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.017 7.272 -6.747 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -7.431 6.474 -6.862 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -8.206 6.689 -5.275 1.00 0.00 H new ATOM 886 N ALA A 69 -4.239 9.178 -6.831 1.00 0.00 N ATOM 887 CA ALA A 69 -3.135 9.094 -7.772 1.00 0.00 C ATOM 888 C ALA A 69 -2.034 8.211 -7.182 1.00 0.00 C ATOM 889 O ALA A 69 -1.646 7.211 -7.784 1.00 0.00 O ATOM 890 CB ALA A 69 -2.639 10.502 -8.104 1.00 0.00 C ATOM 0 H ALA A 69 -4.481 10.125 -6.541 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.460 8.635 -8.706 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.811 10.439 -8.810 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.451 11.079 -8.548 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.301 10.993 -7.192 1.00 0.00 H new ATOM 896 N ILE A 70 -1.561 8.613 -6.012 1.00 0.00 N ATOM 897 CA ILE A 70 -0.511 7.872 -5.334 1.00 0.00 C ATOM 898 C ILE A 70 -1.088 6.565 -4.787 1.00 0.00 C ATOM 899 O ILE A 70 -0.351 5.612 -4.540 1.00 0.00 O ATOM 900 CB ILE A 70 0.158 8.742 -4.268 1.00 0.00 C ATOM 901 CG1 ILE A 70 -0.623 8.696 -2.953 1.00 0.00 C ATOM 902 CG2 ILE A 70 0.349 10.174 -4.771 1.00 0.00 C ATOM 903 CD1 ILE A 70 -0.343 7.397 -2.195 1.00 0.00 C ATOM 0 H ILE A 70 -1.886 9.443 -5.516 1.00 0.00 H new ATOM 0 HA ILE A 70 0.279 7.604 -6.035 1.00 0.00 H new ATOM 0 HB ILE A 70 1.149 8.335 -4.068 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.349 9.550 -2.333 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -1.691 8.780 -3.157 1.00 0.00 H new ATOM 0 HG21 ILE A 70 0.826 10.772 -3.995 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.978 10.166 -5.661 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.621 10.606 -5.016 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -0.910 7.389 -1.264 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -0.641 6.546 -2.808 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.722 7.328 -1.972 1.00 0.00 H new ATOM 915 N LEU A 71 -2.402 6.562 -4.614 1.00 0.00 N ATOM 916 CA LEU A 71 -3.087 5.387 -4.101 1.00 0.00 C ATOM 917 C LEU A 71 -2.893 4.223 -5.074 1.00 0.00 C ATOM 918 O LEU A 71 -2.327 3.193 -4.711 1.00 0.00 O ATOM 919 CB LEU A 71 -4.554 5.707 -3.809 1.00 0.00 C ATOM 920 CG LEU A 71 -5.270 4.756 -2.848 1.00 0.00 C ATOM 921 CD1 LEU A 71 -6.346 5.493 -2.048 1.00 0.00 C ATOM 922 CD2 LEU A 71 -5.838 3.547 -3.595 1.00 0.00 C ATOM 0 H LEU A 71 -3.010 7.354 -4.820 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.656 5.081 -3.148 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.611 6.716 -3.400 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.098 5.715 -4.753 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.539 4.378 -2.133 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.840 4.794 -1.373 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -5.885 6.293 -1.469 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.081 5.917 -2.732 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.342 2.887 -2.889 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.551 3.886 -4.347 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.027 3.006 -4.082 1.00 0.00 H new ATOM 934 N GLN A 72 -3.373 4.426 -6.292 1.00 0.00 N ATOM 935 CA GLN A 72 -3.259 3.406 -7.321 1.00 0.00 C ATOM 936 C GLN A 72 -1.792 3.194 -7.699 1.00 0.00 C ATOM 937 O GLN A 72 -1.367 2.067 -7.947 1.00 0.00 O ATOM 938 CB GLN A 72 -4.095 3.770 -8.549 1.00 0.00 C ATOM 939 CG GLN A 72 -3.889 5.236 -8.937 1.00 0.00 C ATOM 940 CD GLN A 72 -3.518 5.364 -10.416 1.00 0.00 C ATOM 941 OE1 GLN A 72 -3.954 4.599 -11.261 1.00 0.00 O ATOM 942 NE2 GLN A 72 -2.692 6.372 -10.681 1.00 0.00 N ATOM 0 H GLN A 72 -3.842 5.282 -6.590 1.00 0.00 H new ATOM 0 HA GLN A 72 -3.649 2.470 -6.921 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -3.820 3.127 -9.385 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -5.150 3.590 -8.342 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -4.800 5.801 -8.736 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -3.102 5.672 -8.322 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -2.365 6.975 -9.926 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -2.386 6.542 -11.639 1.00 0.00 H new ATOM 951 N SER A 73 -1.057 4.296 -7.730 1.00 0.00 N ATOM 952 CA SER A 73 0.354 4.246 -8.074 1.00 0.00 C ATOM 953 C SER A 73 1.118 3.430 -7.029 1.00 0.00 C ATOM 954 O SER A 73 1.523 2.299 -7.294 1.00 0.00 O ATOM 955 CB SER A 73 0.944 5.653 -8.185 1.00 0.00 C ATOM 956 OG SER A 73 0.993 6.107 -9.535 1.00 0.00 O ATOM 0 H SER A 73 -1.412 5.229 -7.522 1.00 0.00 H new ATOM 0 HA SER A 73 0.453 3.763 -9.046 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.346 6.345 -7.592 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.949 5.659 -7.764 1.00 0.00 H new ATOM 0 HG SER A 73 1.374 7.009 -9.563 1.00 0.00 H new ATOM 962 N VAL A 74 1.292 4.036 -5.864 1.00 0.00 N ATOM 963 CA VAL A 74 2.000 3.380 -4.778 1.00 0.00 C ATOM 964 C VAL A 74 1.335 2.035 -4.480 1.00 0.00 C ATOM 965 O VAL A 74 1.979 1.119 -3.971 1.00 0.00 O ATOM 966 CB VAL A 74 2.058 4.302 -3.558 1.00 0.00 C ATOM 967 CG1 VAL A 74 2.787 3.627 -2.395 1.00 0.00 C ATOM 968 CG2 VAL A 74 2.712 5.639 -3.913 1.00 0.00 C ATOM 0 H VAL A 74 0.955 4.974 -5.648 1.00 0.00 H new ATOM 0 HA VAL A 74 3.032 3.176 -5.063 1.00 0.00 H new ATOM 0 HB VAL A 74 1.035 4.503 -3.240 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.814 4.304 -1.541 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.262 2.713 -2.118 1.00 0.00 H new ATOM 0 HG13 VAL A 74 3.805 3.383 -2.697 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.741 6.276 -3.029 1.00 0.00 H new ATOM 0 HG22 VAL A 74 3.728 5.464 -4.268 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.134 6.130 -4.695 1.00 0.00 H new ATOM 978 N GLY A 75 0.053 1.959 -4.808 1.00 0.00 N ATOM 979 CA GLY A 75 -0.707 0.742 -4.582 1.00 0.00 C ATOM 980 C GLY A 75 -0.092 -0.437 -5.339 1.00 0.00 C ATOM 981 O GLY A 75 0.448 -1.358 -4.729 1.00 0.00 O ATOM 0 H GLY A 75 -0.478 2.721 -5.229 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.735 0.519 -3.515 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.738 0.888 -4.904 1.00 0.00 H new ATOM 985 N ALA A 76 -0.195 -0.370 -6.659 1.00 0.00 N ATOM 986 CA ALA A 76 0.343 -1.420 -7.506 1.00 0.00 C ATOM 987 C ALA A 76 1.872 -1.355 -7.482 1.00 0.00 C ATOM 988 O ALA A 76 2.534 -2.344 -7.173 1.00 0.00 O ATOM 989 CB ALA A 76 -0.225 -1.277 -8.920 1.00 0.00 C ATOM 0 H ALA A 76 -0.643 0.396 -7.162 1.00 0.00 H new ATOM 0 HA ALA A 76 0.049 -2.402 -7.135 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.179 -2.065 -9.556 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -1.311 -1.359 -8.886 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.053 -0.305 -9.327 1.00 0.00 H new ATOM 995 N ALA A 77 2.387 -0.180 -7.813 1.00 0.00 N ATOM 996 CA ALA A 77 3.825 0.027 -7.834 1.00 0.00 C ATOM 997 C ALA A 77 4.433 -0.516 -6.539 1.00 0.00 C ATOM 998 O ALA A 77 5.443 -1.217 -6.570 1.00 0.00 O ATOM 999 CB ALA A 77 4.124 1.514 -8.039 1.00 0.00 C ATOM 0 H ALA A 77 1.834 0.638 -8.069 1.00 0.00 H new ATOM 0 HA ALA A 77 4.278 -0.515 -8.664 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.203 1.669 -8.055 1.00 0.00 H new ATOM 0 HB2 ALA A 77 3.696 1.844 -8.986 1.00 0.00 H new ATOM 0 HB3 ALA A 77 3.686 2.089 -7.223 1.00 0.00 H new ATOM 1005 N GLY A 78 3.792 -0.172 -5.432 1.00 0.00 N ATOM 1006 CA GLY A 78 4.256 -0.617 -4.129 1.00 0.00 C ATOM 1007 C GLY A 78 4.159 -2.138 -4.002 1.00 0.00 C ATOM 1008 O GLY A 78 5.174 -2.832 -4.015 1.00 0.00 O ATOM 0 H GLY A 78 2.955 0.410 -5.410 1.00 0.00 H new ATOM 0 HA2 GLY A 78 5.289 -0.301 -3.980 1.00 0.00 H new ATOM 0 HA3 GLY A 78 3.662 -0.145 -3.347 1.00 0.00 H new ATOM 1012 N LEU A 79 2.927 -2.612 -3.882 1.00 0.00 N ATOM 1013 CA LEU A 79 2.684 -4.039 -3.753 1.00 0.00 C ATOM 1014 C LEU A 79 3.633 -4.800 -4.680 1.00 0.00 C ATOM 1015 O LEU A 79 4.072 -5.903 -4.357 1.00 0.00 O ATOM 1016 CB LEU A 79 1.206 -4.354 -3.993 1.00 0.00 C ATOM 1017 CG LEU A 79 0.556 -5.319 -2.999 1.00 0.00 C ATOM 1018 CD1 LEU A 79 1.030 -6.754 -3.238 1.00 0.00 C ATOM 1019 CD2 LEU A 79 0.799 -4.868 -1.558 1.00 0.00 C ATOM 0 H LEU A 79 2.087 -2.033 -3.871 1.00 0.00 H new ATOM 0 HA LEU A 79 2.897 -4.371 -2.737 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.648 -3.418 -3.978 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.102 -4.771 -4.995 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.521 -5.304 -3.164 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.553 -7.419 -2.518 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.763 -7.062 -4.249 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.112 -6.805 -3.117 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.327 -5.571 -0.872 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.871 -4.835 -1.363 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.373 -3.876 -1.411 1.00 0.00 H new ATOM 1031 N SER A 80 3.922 -4.181 -5.816 1.00 0.00 N ATOM 1032 CA SER A 80 4.812 -4.787 -6.792 1.00 0.00 C ATOM 1033 C SER A 80 6.222 -4.907 -6.212 1.00 0.00 C ATOM 1034 O SER A 80 6.643 -5.992 -5.813 1.00 0.00 O ATOM 1035 CB SER A 80 4.839 -3.976 -8.090 1.00 0.00 C ATOM 1036 OG SER A 80 3.676 -4.198 -8.882 1.00 0.00 O ATOM 0 H SER A 80 3.556 -3.267 -6.082 1.00 0.00 H new ATOM 0 HA SER A 80 4.437 -5.783 -7.025 1.00 0.00 H new ATOM 0 HB2 SER A 80 4.919 -2.915 -7.853 1.00 0.00 H new ATOM 0 HB3 SER A 80 5.726 -4.242 -8.665 1.00 0.00 H new ATOM 0 HG SER A 80 2.936 -3.656 -8.536 1.00 0.00 H new ATOM 1042 N VAL A 81 6.914 -3.778 -6.183 1.00 0.00 N ATOM 1043 CA VAL A 81 8.269 -3.743 -5.658 1.00 0.00 C ATOM 1044 C VAL A 81 8.328 -4.549 -4.360 1.00 0.00 C ATOM 1045 O VAL A 81 9.378 -5.084 -4.004 1.00 0.00 O ATOM 1046 CB VAL A 81 8.725 -2.293 -5.484 1.00 0.00 C ATOM 1047 CG1 VAL A 81 10.074 -2.226 -4.765 1.00 0.00 C ATOM 1048 CG2 VAL A 81 8.785 -1.571 -6.831 1.00 0.00 C ATOM 0 H VAL A 81 6.562 -2.880 -6.515 1.00 0.00 H new ATOM 0 HA VAL A 81 8.963 -4.205 -6.359 1.00 0.00 H new ATOM 0 HB VAL A 81 7.988 -1.782 -4.864 1.00 0.00 H new ATOM 0 HG11 VAL A 81 10.376 -1.185 -4.654 1.00 0.00 H new ATOM 0 HG12 VAL A 81 9.985 -2.685 -3.780 1.00 0.00 H new ATOM 0 HG13 VAL A 81 10.824 -2.761 -5.348 1.00 0.00 H new ATOM 0 HG21 VAL A 81 9.112 -0.542 -6.678 1.00 0.00 H new ATOM 0 HG22 VAL A 81 9.490 -2.082 -7.487 1.00 0.00 H new ATOM 0 HG23 VAL A 81 7.796 -1.573 -7.289 1.00 0.00 H new ATOM 1058 N THR A 82 7.189 -4.611 -3.686 1.00 0.00 N ATOM 1059 CA THR A 82 7.099 -5.344 -2.434 1.00 0.00 C ATOM 1060 C THR A 82 7.295 -6.841 -2.677 1.00 0.00 C ATOM 1061 O THR A 82 8.395 -7.363 -2.501 1.00 0.00 O ATOM 1062 CB THR A 82 5.756 -5.004 -1.784 1.00 0.00 C ATOM 1063 OG1 THR A 82 5.883 -3.632 -1.421 1.00 0.00 O ATOM 1064 CG2 THR A 82 5.552 -5.726 -0.451 1.00 0.00 C ATOM 0 H THR A 82 6.321 -4.166 -3.983 1.00 0.00 H new ATOM 0 HA THR A 82 7.893 -5.052 -1.746 1.00 0.00 H new ATOM 0 HB THR A 82 4.946 -5.265 -2.465 1.00 0.00 H new ATOM 0 HG1 THR A 82 5.789 -3.072 -2.220 1.00 0.00 H new ATOM 0 HG21 THR A 82 4.584 -5.450 -0.032 1.00 0.00 H new ATOM 0 HG22 THR A 82 5.584 -6.804 -0.612 1.00 0.00 H new ATOM 0 HG23 THR A 82 6.343 -5.440 0.243 1.00 0.00 H new ATOM 1072 N SER A 83 6.212 -7.490 -3.078 1.00 0.00 N ATOM 1073 CA SER A 83 6.251 -8.918 -3.347 1.00 0.00 C ATOM 1074 C SER A 83 7.470 -9.255 -4.207 1.00 0.00 C ATOM 1075 O SER A 83 8.191 -10.210 -3.922 1.00 0.00 O ATOM 1076 CB SER A 83 4.968 -9.384 -4.038 1.00 0.00 C ATOM 1077 OG SER A 83 4.035 -9.937 -3.114 1.00 0.00 O ATOM 0 H SER A 83 5.302 -7.053 -3.223 1.00 0.00 H new ATOM 0 HA SER A 83 6.330 -9.443 -2.395 1.00 0.00 H new ATOM 0 HB2 SER A 83 4.509 -8.542 -4.557 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.214 -10.129 -4.795 1.00 0.00 H new ATOM 0 HG SER A 83 3.229 -10.221 -3.594 1.00 0.00 H new ATOM 1083 N LYS A 84 7.664 -8.452 -5.243 1.00 0.00 N ATOM 1084 CA LYS A 84 8.783 -8.653 -6.147 1.00 0.00 C ATOM 1085 C LYS A 84 10.077 -8.749 -5.337 1.00 0.00 C ATOM 1086 O LYS A 84 10.878 -9.660 -5.545 1.00 0.00 O ATOM 1087 CB LYS A 84 8.809 -7.561 -7.219 1.00 0.00 C ATOM 1088 CG LYS A 84 9.340 -8.108 -8.546 1.00 0.00 C ATOM 1089 CD LYS A 84 10.869 -8.104 -8.569 1.00 0.00 C ATOM 1090 CE LYS A 84 11.412 -9.387 -9.201 1.00 0.00 C ATOM 1091 NZ LYS A 84 12.024 -9.098 -10.516 1.00 0.00 N ATOM 0 H LYS A 84 7.064 -7.660 -5.476 1.00 0.00 H new ATOM 0 HA LYS A 84 8.673 -9.594 -6.685 1.00 0.00 H new ATOM 0 HB2 LYS A 84 7.805 -7.162 -7.362 1.00 0.00 H new ATOM 0 HB3 LYS A 84 9.436 -6.734 -6.886 1.00 0.00 H new ATOM 0 HG2 LYS A 84 8.973 -9.123 -8.698 1.00 0.00 H new ATOM 0 HG3 LYS A 84 8.959 -7.505 -9.370 1.00 0.00 H new ATOM 0 HD2 LYS A 84 11.225 -7.240 -9.129 1.00 0.00 H new ATOM 0 HD3 LYS A 84 11.251 -8.005 -7.553 1.00 0.00 H new ATOM 0 HE2 LYS A 84 12.152 -9.840 -8.541 1.00 0.00 H new ATOM 0 HE3 LYS A 84 10.605 -10.110 -9.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 12.387 -9.980 -10.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 11.309 -8.686 -11.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 12.807 -8.424 -10.394 1.00 0.00 H new ATOM 1105 N VAL A 85 10.242 -7.798 -4.430 1.00 0.00 N ATOM 1106 CA VAL A 85 11.425 -7.764 -3.587 1.00 0.00 C ATOM 1107 C VAL A 85 11.443 -9.005 -2.692 1.00 0.00 C ATOM 1108 O VAL A 85 12.510 -9.479 -2.304 1.00 0.00 O ATOM 1109 CB VAL A 85 11.466 -6.456 -2.795 1.00 0.00 C ATOM 1110 CG1 VAL A 85 12.342 -6.596 -1.549 1.00 0.00 C ATOM 1111 CG2 VAL A 85 11.945 -5.298 -3.674 1.00 0.00 C ATOM 0 H VAL A 85 9.576 -7.045 -4.260 1.00 0.00 H new ATOM 0 HA VAL A 85 12.329 -7.788 -4.196 1.00 0.00 H new ATOM 0 HB VAL A 85 10.451 -6.231 -2.467 1.00 0.00 H new ATOM 0 HG11 VAL A 85 12.354 -5.652 -1.004 1.00 0.00 H new ATOM 0 HG12 VAL A 85 11.940 -7.380 -0.907 1.00 0.00 H new ATOM 0 HG13 VAL A 85 13.358 -6.856 -1.846 1.00 0.00 H new ATOM 0 HG21 VAL A 85 11.965 -4.380 -3.087 1.00 0.00 H new ATOM 0 HG22 VAL A 85 12.947 -5.513 -4.045 1.00 0.00 H new ATOM 0 HG23 VAL A 85 11.265 -5.175 -4.517 1.00 0.00 H new ATOM 1121 N ILE A 86 10.250 -9.496 -2.390 1.00 0.00 N ATOM 1122 CA ILE A 86 10.116 -10.673 -1.548 1.00 0.00 C ATOM 1123 C ILE A 86 10.496 -11.917 -2.353 1.00 0.00 C ATOM 1124 O ILE A 86 11.443 -12.620 -2.006 1.00 0.00 O ATOM 1125 CB ILE A 86 8.714 -10.739 -0.939 1.00 0.00 C ATOM 1126 CG1 ILE A 86 8.522 -9.647 0.116 1.00 0.00 C ATOM 1127 CG2 ILE A 86 8.424 -12.133 -0.380 1.00 0.00 C ATOM 1128 CD1 ILE A 86 7.041 -9.458 0.447 1.00 0.00 C ATOM 0 H ILE A 86 9.367 -9.100 -2.713 1.00 0.00 H new ATOM 0 HA ILE A 86 10.803 -10.617 -0.704 1.00 0.00 H new ATOM 0 HB ILE A 86 7.989 -10.552 -1.731 1.00 0.00 H new ATOM 0 HG12 ILE A 86 9.070 -9.910 1.021 1.00 0.00 H new ATOM 0 HG13 ILE A 86 8.940 -8.708 -0.247 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.421 -12.152 0.047 1.00 0.00 H new ATOM 0 HG22 ILE A 86 8.491 -12.868 -1.182 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.153 -12.373 0.394 1.00 0.00 H new ATOM 0 HD11 ILE A 86 6.933 -8.676 1.199 1.00 0.00 H new ATOM 0 HD12 ILE A 86 6.500 -9.171 -0.455 1.00 0.00 H new ATOM 0 HD13 ILE A 86 6.632 -10.392 0.833 1.00 0.00 H new ATOM 1140 N GLY A 87 9.737 -12.150 -3.414 1.00 0.00 N ATOM 1141 CA GLY A 87 9.982 -13.297 -4.272 1.00 0.00 C ATOM 1142 C GLY A 87 8.699 -13.737 -4.979 1.00 0.00 C ATOM 1143 O GLY A 87 7.820 -14.337 -4.362 1.00 0.00 O ATOM 0 H GLY A 87 8.952 -11.564 -3.699 1.00 0.00 H new ATOM 0 HA2 GLY A 87 10.742 -13.046 -5.012 1.00 0.00 H new ATOM 0 HA3 GLY A 87 10.376 -14.122 -3.678 1.00 0.00 H new ATOM 1147 N GLY A 88 8.632 -13.422 -6.264 1.00 0.00 N ATOM 1148 CA GLY A 88 7.471 -13.777 -7.062 1.00 0.00 C ATOM 1149 C GLY A 88 7.449 -15.278 -7.361 1.00 0.00 C ATOM 1150 O GLY A 88 7.437 -15.683 -8.523 1.00 0.00 O ATOM 0 H GLY A 88 9.363 -12.925 -6.772 1.00 0.00 H new ATOM 0 HA2 GLY A 88 6.561 -13.495 -6.532 1.00 0.00 H new ATOM 0 HA3 GLY A 88 7.483 -13.216 -7.997 1.00 0.00 H new ATOM 1154 N PHE A 89 7.445 -16.062 -6.293 1.00 0.00 N ATOM 1155 CA PHE A 89 7.426 -17.508 -6.427 1.00 0.00 C ATOM 1156 C PHE A 89 7.407 -18.186 -5.055 1.00 0.00 C ATOM 1157 O PHE A 89 8.147 -19.139 -4.819 1.00 0.00 O ATOM 1158 CB PHE A 89 8.707 -17.907 -7.162 1.00 0.00 C ATOM 1159 CG PHE A 89 9.989 -17.402 -6.497 1.00 0.00 C ATOM 1160 CD1 PHE A 89 10.428 -16.138 -6.742 1.00 0.00 C ATOM 1161 CD2 PHE A 89 10.689 -18.215 -5.662 1.00 0.00 C ATOM 1162 CE1 PHE A 89 11.618 -15.668 -6.125 1.00 0.00 C ATOM 1163 CE2 PHE A 89 11.879 -17.746 -5.046 1.00 0.00 C ATOM 1164 CZ PHE A 89 12.318 -16.482 -5.290 1.00 0.00 C ATOM 0 H PHE A 89 7.455 -15.723 -5.331 1.00 0.00 H new ATOM 0 HA PHE A 89 6.533 -17.819 -6.969 1.00 0.00 H new ATOM 0 HB2 PHE A 89 8.750 -18.994 -7.232 1.00 0.00 H new ATOM 0 HB3 PHE A 89 8.663 -17.523 -8.181 1.00 0.00 H new ATOM 0 HD1 PHE A 89 9.872 -15.492 -7.405 1.00 0.00 H new ATOM 0 HD2 PHE A 89 10.340 -19.218 -5.467 1.00 0.00 H new ATOM 0 HE1 PHE A 89 11.967 -14.664 -6.319 1.00 0.00 H new ATOM 0 HE2 PHE A 89 12.436 -18.393 -4.384 1.00 0.00 H new ATOM 0 HZ PHE A 89 13.223 -16.125 -4.821 1.00 0.00 H new ATOM 1174 N ALA A 90 6.553 -17.665 -4.185 1.00 0.00 N ATOM 1175 CA ALA A 90 6.428 -18.208 -2.843 1.00 0.00 C ATOM 1176 C ALA A 90 7.735 -17.976 -2.081 1.00 0.00 C ATOM 1177 O ALA A 90 8.703 -17.465 -2.642 1.00 0.00 O ATOM 1178 CB ALA A 90 6.055 -19.689 -2.924 1.00 0.00 C ATOM 0 H ALA A 90 5.942 -16.873 -4.384 1.00 0.00 H new ATOM 0 HA ALA A 90 5.633 -17.702 -2.296 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.961 -20.096 -1.917 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.106 -19.797 -3.449 1.00 0.00 H new ATOM 0 HB3 ALA A 90 6.832 -20.231 -3.464 1.00 0.00 H new ATOM 1184 N GLY A 91 7.720 -18.364 -0.814 1.00 0.00 N ATOM 1185 CA GLY A 91 8.891 -18.205 0.031 1.00 0.00 C ATOM 1186 C GLY A 91 8.502 -17.680 1.415 1.00 0.00 C ATOM 1187 O GLY A 91 7.611 -16.841 1.536 1.00 0.00 O ATOM 0 H GLY A 91 6.915 -18.788 -0.352 1.00 0.00 H new ATOM 0 HA2 GLY A 91 9.403 -19.162 0.132 1.00 0.00 H new ATOM 0 HA3 GLY A 91 9.592 -17.516 -0.439 1.00 0.00 H new ATOM 1191 N THR A 92 9.189 -18.197 2.423 1.00 0.00 N ATOM 1192 CA THR A 92 8.926 -17.792 3.793 1.00 0.00 C ATOM 1193 C THR A 92 9.804 -16.598 4.174 1.00 0.00 C ATOM 1194 O THR A 92 10.488 -16.627 5.196 1.00 0.00 O ATOM 1195 CB THR A 92 9.133 -19.010 4.695 1.00 0.00 C ATOM 1196 OG1 THR A 92 8.181 -19.959 4.220 1.00 0.00 O ATOM 1197 CG2 THR A 92 8.707 -18.748 6.141 1.00 0.00 C ATOM 0 H THR A 92 9.927 -18.893 2.318 1.00 0.00 H new ATOM 0 HA THR A 92 7.898 -17.451 3.914 1.00 0.00 H new ATOM 0 HB THR A 92 10.183 -19.303 4.673 1.00 0.00 H new ATOM 0 HG1 THR A 92 8.247 -20.782 4.749 1.00 0.00 H new ATOM 0 HG21 THR A 92 8.875 -19.644 6.738 1.00 0.00 H new ATOM 0 HG22 THR A 92 9.293 -17.925 6.550 1.00 0.00 H new ATOM 0 HG23 THR A 92 7.649 -18.488 6.167 1.00 0.00 H new