USER MOD reduce.3.24.130724 H: found=0, std=0, add=415, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 417 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 23 LYS NZ :NH3+ -165:sc= 0.201 (180deg=0.117) USER MOD Set 1.2: A 39 TYR OH : rot 41:sc= 0.073 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 170:sc= -0.101 USER MOD Single : A 21 MET CE :methyl -157:sc= -0.687 (180deg=-1.65) USER MOD Single : A 26 SER OG : rot -51:sc= 1.1 USER MOD Single : A 27 CYS SG : rot -93:sc= -4.01! USER MOD Single : A 28 GLN : amide:sc= 0.419 X(o=0.42,f=0) USER MOD Single : A 29 THR OG1 : rot -25:sc= 0.159 USER MOD Single : A 40 TYR OH : rot -11:sc= 1.2 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 154:sc= 0.375 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -172:sc= 0.866 (180deg=0.828) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 206 N TYR A 13 13.387 -1.030 -1.571 1.00 0.00 N ATOM 207 CA TYR A 13 12.500 -0.959 -2.732 1.00 0.00 C ATOM 208 C TYR A 13 11.562 -2.181 -2.884 1.00 0.00 C ATOM 209 O TYR A 13 10.467 -2.052 -3.428 1.00 0.00 O ATOM 210 CB TYR A 13 13.422 -0.741 -3.950 1.00 0.00 C ATOM 211 CG TYR A 13 14.160 0.589 -3.865 1.00 0.00 C ATOM 212 CD1 TYR A 13 13.441 1.764 -3.576 1.00 0.00 C ATOM 213 CD2 TYR A 13 15.564 0.652 -3.952 1.00 0.00 C ATOM 214 CE1 TYR A 13 14.105 2.961 -3.272 1.00 0.00 C ATOM 215 CE2 TYR A 13 16.231 1.865 -3.687 1.00 0.00 C ATOM 216 CZ TYR A 13 15.507 3.015 -3.333 1.00 0.00 C ATOM 217 OH TYR A 13 16.148 4.172 -3.018 1.00 0.00 O ATOM 0 HA TYR A 13 11.794 -0.136 -2.621 1.00 0.00 H new ATOM 0 HB2 TYR A 13 14.144 -1.555 -4.010 1.00 0.00 H new ATOM 0 HB3 TYR A 13 12.830 -0.771 -4.865 1.00 0.00 H new ATOM 0 HD1 TYR A 13 12.361 1.743 -3.589 1.00 0.00 H new ATOM 0 HD2 TYR A 13 16.129 -0.228 -4.221 1.00 0.00 H new ATOM 0 HE1 TYR A 13 13.540 3.838 -2.992 1.00 0.00 H new ATOM 0 HE2 TYR A 13 17.308 1.910 -3.757 1.00 0.00 H new ATOM 0 HH TYR A 13 17.116 4.045 -3.109 1.00 0.00 H new ATOM 227 N GLU A 14 11.936 -3.349 -2.342 1.00 0.00 N ATOM 228 CA GLU A 14 11.060 -4.522 -2.099 1.00 0.00 C ATOM 229 C GLU A 14 10.158 -4.342 -0.865 1.00 0.00 C ATOM 230 O GLU A 14 8.983 -4.692 -0.896 1.00 0.00 O ATOM 231 CB GLU A 14 11.927 -5.783 -1.946 1.00 0.00 C ATOM 232 CG GLU A 14 11.105 -7.068 -1.934 1.00 0.00 C ATOM 233 CD GLU A 14 12.032 -8.276 -1.879 1.00 0.00 C ATOM 234 OE1 GLU A 14 12.452 -8.657 -0.762 1.00 0.00 O ATOM 235 OE2 GLU A 14 12.324 -8.849 -2.952 1.00 0.00 O ATOM 0 H GLU A 14 12.897 -3.517 -2.046 1.00 0.00 H new ATOM 0 HA GLU A 14 10.398 -4.624 -2.959 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.646 -5.825 -2.764 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.499 -5.715 -1.021 1.00 0.00 H new ATOM 0 HG2 GLU A 14 10.435 -7.073 -1.074 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.480 -7.119 -2.826 1.00 0.00 H new ATOM 242 N ALA A 15 10.702 -3.709 0.176 1.00 0.00 N ATOM 243 CA ALA A 15 10.038 -3.259 1.414 1.00 0.00 C ATOM 244 C ALA A 15 8.668 -2.596 1.218 1.00 0.00 C ATOM 245 O ALA A 15 7.744 -2.741 2.021 1.00 0.00 O ATOM 246 CB ALA A 15 10.932 -2.160 1.983 1.00 0.00 C ATOM 0 H ALA A 15 11.695 -3.477 0.182 1.00 0.00 H new ATOM 0 HA ALA A 15 9.889 -4.143 2.034 1.00 0.00 H new ATOM 0 HB1 ALA A 15 10.497 -1.779 2.907 1.00 0.00 H new ATOM 0 HB2 ALA A 15 11.922 -2.567 2.189 1.00 0.00 H new ATOM 0 HB3 ALA A 15 11.016 -1.349 1.260 1.00 0.00 H new ATOM 252 N SER A 16 8.575 -1.849 0.123 1.00 0.00 N ATOM 253 CA SER A 16 7.507 -0.931 -0.252 1.00 0.00 C ATOM 254 C SER A 16 6.125 -1.618 -0.360 1.00 0.00 C ATOM 255 O SER A 16 5.080 -1.030 -0.080 1.00 0.00 O ATOM 256 CB SER A 16 7.936 -0.441 -1.651 1.00 0.00 C ATOM 257 OG SER A 16 8.745 0.715 -1.653 1.00 0.00 O ATOM 0 H SER A 16 9.309 -1.873 -0.585 1.00 0.00 H new ATOM 0 HA SER A 16 7.385 -0.146 0.494 1.00 0.00 H new ATOM 0 HB2 SER A 16 8.475 -1.245 -2.152 1.00 0.00 H new ATOM 0 HB3 SER A 16 7.041 -0.242 -2.240 1.00 0.00 H new ATOM 0 HG SER A 16 9.102 0.863 -2.554 1.00 0.00 H new ATOM 263 N ILE A 17 6.139 -2.888 -0.770 1.00 0.00 N ATOM 264 CA ILE A 17 5.042 -3.653 -1.400 1.00 0.00 C ATOM 265 C ILE A 17 4.845 -5.020 -0.679 1.00 0.00 C ATOM 266 O ILE A 17 4.025 -5.854 -1.067 1.00 0.00 O ATOM 267 CB ILE A 17 5.420 -3.717 -2.921 1.00 0.00 C ATOM 268 CG1 ILE A 17 4.753 -2.667 -3.846 1.00 0.00 C ATOM 269 CG2 ILE A 17 5.315 -5.088 -3.607 1.00 0.00 C ATOM 270 CD1 ILE A 17 4.265 -1.352 -3.217 1.00 0.00 C ATOM 0 H ILE A 17 6.978 -3.459 -0.666 1.00 0.00 H new ATOM 0 HA ILE A 17 4.058 -3.193 -1.307 1.00 0.00 H new ATOM 0 HB ILE A 17 6.476 -3.468 -2.816 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.465 -2.416 -4.633 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.899 -3.143 -4.328 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.603 -4.994 -4.654 1.00 0.00 H new ATOM 0 HG22 ILE A 17 5.979 -5.795 -3.110 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.288 -5.448 -3.545 1.00 0.00 H new ATOM 0 HD11 ILE A 17 3.823 -0.722 -3.989 1.00 0.00 H new ATOM 0 HD12 ILE A 17 3.518 -1.569 -2.453 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.108 -0.831 -2.762 1.00 0.00 H new ATOM 282 N ASP A 18 5.572 -5.234 0.426 1.00 0.00 N ATOM 283 CA ASP A 18 5.708 -6.517 1.149 1.00 0.00 C ATOM 284 C ASP A 18 4.442 -6.949 1.902 1.00 0.00 C ATOM 285 O ASP A 18 4.178 -8.146 2.030 1.00 0.00 O ATOM 286 CB ASP A 18 6.901 -6.408 2.114 1.00 0.00 C ATOM 287 CG ASP A 18 7.223 -7.728 2.850 1.00 0.00 C ATOM 288 OD1 ASP A 18 7.673 -8.700 2.196 1.00 0.00 O ATOM 289 OD2 ASP A 18 7.057 -7.785 4.094 1.00 0.00 O ATOM 0 H ASP A 18 6.108 -4.486 0.865 1.00 0.00 H new ATOM 0 HA ASP A 18 5.875 -7.295 0.404 1.00 0.00 H new ATOM 0 HB2 ASP A 18 7.781 -6.089 1.556 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.692 -5.632 2.851 1.00 0.00 H new ATOM 294 N GLU A 19 3.642 -5.973 2.347 1.00 0.00 N ATOM 295 CA GLU A 19 2.350 -6.177 3.040 1.00 0.00 C ATOM 296 C GLU A 19 1.219 -5.286 2.528 1.00 0.00 C ATOM 297 O GLU A 19 0.104 -5.764 2.369 1.00 0.00 O ATOM 298 CB GLU A 19 2.484 -5.957 4.556 1.00 0.00 C ATOM 299 CG GLU A 19 3.433 -6.946 5.233 1.00 0.00 C ATOM 300 CD GLU A 19 3.425 -6.711 6.736 1.00 0.00 C ATOM 301 OE1 GLU A 19 4.225 -5.880 7.218 1.00 0.00 O ATOM 302 OE2 GLU A 19 2.617 -7.362 7.438 1.00 0.00 O ATOM 0 H GLU A 19 3.877 -4.987 2.235 1.00 0.00 H new ATOM 0 HA GLU A 19 2.087 -7.212 2.821 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.838 -4.942 4.738 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.499 -6.038 5.016 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.127 -7.969 5.013 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.443 -6.824 4.841 1.00 0.00 H new ATOM 309 N PHE A 20 1.499 -4.028 2.199 1.00 0.00 N ATOM 310 CA PHE A 20 0.554 -2.989 1.757 1.00 0.00 C ATOM 311 C PHE A 20 -0.245 -3.373 0.500 1.00 0.00 C ATOM 312 O PHE A 20 -1.463 -3.330 0.467 1.00 0.00 O ATOM 313 CB PHE A 20 1.410 -1.738 1.462 1.00 0.00 C ATOM 314 CG PHE A 20 0.770 -0.418 1.806 1.00 0.00 C ATOM 315 CD1 PHE A 20 -0.498 -0.088 1.299 1.00 0.00 C ATOM 316 CD2 PHE A 20 1.485 0.520 2.572 1.00 0.00 C ATOM 317 CE1 PHE A 20 -1.047 1.175 1.550 1.00 0.00 C ATOM 318 CE2 PHE A 20 0.926 1.781 2.840 1.00 0.00 C ATOM 319 CZ PHE A 20 -0.330 2.111 2.319 1.00 0.00 C ATOM 0 H PHE A 20 2.456 -3.677 2.234 1.00 0.00 H new ATOM 0 HA PHE A 20 -0.191 -2.829 2.536 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.347 -1.822 2.013 1.00 0.00 H new ATOM 0 HB3 PHE A 20 1.663 -1.734 0.402 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -1.050 -0.810 0.715 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.464 0.271 2.954 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -2.019 1.431 1.154 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.465 2.494 3.447 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.751 3.088 2.508 1.00 0.00 H new ATOM 329 N MET A 21 0.419 -3.884 -0.520 1.00 0.00 N ATOM 330 CA MET A 21 -0.198 -4.422 -1.751 1.00 0.00 C ATOM 331 C MET A 21 -1.169 -5.561 -1.450 1.00 0.00 C ATOM 332 O MET A 21 -2.192 -5.710 -2.107 1.00 0.00 O ATOM 333 CB MET A 21 0.905 -4.999 -2.633 1.00 0.00 C ATOM 334 CG MET A 21 1.489 -3.942 -3.552 1.00 0.00 C ATOM 335 SD MET A 21 0.457 -3.392 -4.940 1.00 0.00 S ATOM 336 CE MET A 21 -0.477 -4.865 -5.444 1.00 0.00 C ATOM 0 H MET A 21 1.437 -3.945 -0.530 1.00 0.00 H new ATOM 0 HA MET A 21 -0.738 -3.608 -2.235 1.00 0.00 H new ATOM 0 HB2 MET A 21 1.694 -5.415 -2.006 1.00 0.00 H new ATOM 0 HB3 MET A 21 0.505 -5.820 -3.228 1.00 0.00 H new ATOM 0 HG2 MET A 21 1.738 -3.069 -2.949 1.00 0.00 H new ATOM 0 HG3 MET A 21 2.425 -4.326 -3.958 1.00 0.00 H new ATOM 0 HE1 MET A 21 -0.798 -4.756 -6.480 1.00 0.00 H new ATOM 0 HE2 MET A 21 0.157 -5.747 -5.351 1.00 0.00 H new ATOM 0 HE3 MET A 21 -1.352 -4.978 -4.804 1.00 0.00 H new ATOM 346 N GLY A 22 -0.883 -6.310 -0.391 1.00 0.00 N ATOM 347 CA GLY A 22 -1.772 -7.291 0.201 1.00 0.00 C ATOM 348 C GLY A 22 -2.916 -6.645 0.964 1.00 0.00 C ATOM 349 O GLY A 22 -4.027 -7.157 0.924 1.00 0.00 O ATOM 0 H GLY A 22 0.012 -6.244 0.095 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.177 -7.931 -0.583 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.205 -7.932 0.875 1.00 0.00 H new ATOM 353 N LYS A 23 -2.669 -5.554 1.682 1.00 0.00 N ATOM 354 CA LYS A 23 -3.598 -4.901 2.556 1.00 0.00 C ATOM 355 C LYS A 23 -4.707 -4.299 1.692 1.00 0.00 C ATOM 356 O LYS A 23 -5.890 -4.465 1.981 1.00 0.00 O ATOM 357 CB LYS A 23 -2.819 -4.019 3.540 1.00 0.00 C ATOM 358 CG LYS A 23 -2.800 -2.541 3.267 1.00 0.00 C ATOM 359 CD LYS A 23 -1.958 -1.819 4.332 1.00 0.00 C ATOM 360 CE LYS A 23 -2.745 -1.692 5.637 1.00 0.00 C ATOM 361 NZ LYS A 23 -1.861 -1.505 6.809 1.00 0.00 N ATOM 0 H LYS A 23 -1.762 -5.088 1.658 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.147 -5.554 3.235 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.235 -4.174 4.536 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.788 -4.371 3.567 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.388 -2.351 2.276 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.817 -2.150 3.269 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.034 -2.370 4.509 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.676 -0.830 3.972 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.432 -0.849 5.564 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.352 -2.586 5.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.400 -1.677 7.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.067 -2.175 6.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.494 -0.532 6.815 1.00 0.00 H new ATOM 375 N ILE A 24 -4.310 -3.676 0.571 1.00 0.00 N ATOM 376 CA ILE A 24 -5.212 -3.266 -0.492 1.00 0.00 C ATOM 377 C ILE A 24 -5.815 -4.402 -1.330 1.00 0.00 C ATOM 378 O ILE A 24 -7.013 -4.388 -1.592 1.00 0.00 O ATOM 379 CB ILE A 24 -4.557 -2.219 -1.393 1.00 0.00 C ATOM 380 CG1 ILE A 24 -3.061 -2.199 -1.706 1.00 0.00 C ATOM 381 CG2 ILE A 24 -4.860 -0.859 -0.785 1.00 0.00 C ATOM 382 CD1 ILE A 24 -2.792 -1.892 -3.150 1.00 0.00 C ATOM 0 H ILE A 24 -3.334 -3.444 0.385 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.062 -2.829 0.031 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.988 -2.493 -2.356 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.570 -1.454 -1.080 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.625 -3.166 -1.454 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.410 -0.078 -1.398 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -5.939 -0.711 -0.744 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.449 -0.811 0.223 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -1.716 -1.888 -3.327 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.260 -2.651 -3.777 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.204 -0.913 -3.397 1.00 0.00 H new ATOM 394 N ALA A 25 -5.054 -5.428 -1.702 1.00 0.00 N ATOM 395 CA ALA A 25 -5.615 -6.586 -2.427 1.00 0.00 C ATOM 396 C ALA A 25 -6.626 -7.376 -1.567 1.00 0.00 C ATOM 397 O ALA A 25 -7.531 -8.029 -2.088 1.00 0.00 O ATOM 398 CB ALA A 25 -4.505 -7.510 -2.942 1.00 0.00 C ATOM 0 H ALA A 25 -4.052 -5.490 -1.519 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.157 -6.188 -3.285 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.950 -8.353 -3.471 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.857 -6.956 -3.621 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.919 -7.879 -2.100 1.00 0.00 H new ATOM 404 N SER A 26 -6.518 -7.231 -0.244 1.00 0.00 N ATOM 405 CA SER A 26 -7.350 -7.840 0.797 1.00 0.00 C ATOM 406 C SER A 26 -8.374 -6.859 1.394 1.00 0.00 C ATOM 407 O SER A 26 -8.936 -7.103 2.468 1.00 0.00 O ATOM 408 CB SER A 26 -6.472 -8.456 1.903 1.00 0.00 C ATOM 409 OG SER A 26 -7.280 -9.049 2.903 1.00 0.00 O ATOM 0 H SER A 26 -5.791 -6.639 0.158 1.00 0.00 H new ATOM 0 HA SER A 26 -7.923 -8.633 0.317 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.807 -9.205 1.473 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.841 -7.686 2.346 1.00 0.00 H new ATOM 0 HG SER A 26 -7.962 -8.409 3.195 1.00 0.00 H new ATOM 415 N CYS A 27 -8.585 -5.697 0.779 1.00 0.00 N ATOM 416 CA CYS A 27 -9.293 -4.634 1.466 1.00 0.00 C ATOM 417 C CYS A 27 -10.802 -4.937 1.679 1.00 0.00 C ATOM 418 O CYS A 27 -11.466 -4.363 2.548 1.00 0.00 O ATOM 419 CB CYS A 27 -9.101 -3.352 0.681 1.00 0.00 C ATOM 420 SG CYS A 27 -9.895 -3.441 -0.916 1.00 0.00 S ATOM 0 H CYS A 27 -8.282 -5.476 -0.170 1.00 0.00 H new ATOM 0 HA CYS A 27 -8.875 -4.538 2.468 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -9.509 -2.513 1.245 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -8.036 -3.160 0.549 1.00 0.00 H new ATOM 0 HG CYS A 27 -9.040 -3.855 -1.803 1.00 0.00 H new ATOM 426 N GLN A 28 -11.350 -5.844 0.851 1.00 0.00 N ATOM 427 CA GLN A 28 -12.698 -6.458 0.831 1.00 0.00 C ATOM 428 C GLN A 28 -13.891 -5.509 0.646 1.00 0.00 C ATOM 429 O GLN A 28 -15.028 -5.949 0.496 1.00 0.00 O ATOM 430 CB GLN A 28 -12.926 -7.302 2.094 1.00 0.00 C ATOM 431 CG GLN A 28 -11.979 -8.492 2.220 1.00 0.00 C ATOM 432 CD GLN A 28 -11.824 -8.856 3.676 1.00 0.00 C ATOM 433 OE1 GLN A 28 -12.532 -9.700 4.210 1.00 0.00 O ATOM 434 NE2 GLN A 28 -10.909 -8.203 4.370 1.00 0.00 N ATOM 0 H GLN A 28 -10.791 -6.213 0.082 1.00 0.00 H new ATOM 0 HA GLN A 28 -12.679 -7.068 -0.072 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -12.812 -6.665 2.971 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -13.954 -7.666 2.096 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -12.369 -9.342 1.661 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -11.008 -8.246 1.790 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -10.326 -7.502 3.913 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -10.786 -8.400 5.363 1.00 0.00 H new ATOM 443 N THR A 29 -13.637 -4.207 0.657 1.00 0.00 N ATOM 444 CA THR A 29 -14.633 -3.132 0.720 1.00 0.00 C ATOM 445 C THR A 29 -14.022 -1.910 0.083 1.00 0.00 C ATOM 446 O THR A 29 -12.849 -1.622 0.330 1.00 0.00 O ATOM 447 CB THR A 29 -14.965 -2.757 2.174 1.00 0.00 C ATOM 448 OG1 THR A 29 -13.791 -2.638 2.961 1.00 0.00 O ATOM 449 CG2 THR A 29 -15.880 -3.741 2.896 1.00 0.00 C ATOM 0 H THR A 29 -12.683 -3.848 0.621 1.00 0.00 H new ATOM 0 HA THR A 29 -15.541 -3.468 0.218 1.00 0.00 H new ATOM 0 HB THR A 29 -15.489 -1.806 2.076 1.00 0.00 H new ATOM 0 HG1 THR A 29 -13.079 -3.187 2.571 1.00 0.00 H new ATOM 0 HG21 THR A 29 -16.058 -3.393 3.914 1.00 0.00 H new ATOM 0 HG22 THR A 29 -16.830 -3.811 2.366 1.00 0.00 H new ATOM 0 HG23 THR A 29 -15.407 -4.723 2.925 1.00 0.00 H new ATOM 457 N LEU A 30 -14.775 -1.145 -0.711 1.00 0.00 N ATOM 458 CA LEU A 30 -14.176 0.070 -1.233 1.00 0.00 C ATOM 459 C LEU A 30 -14.001 1.064 -0.110 1.00 0.00 C ATOM 460 O LEU A 30 -13.053 1.817 -0.026 1.00 0.00 O ATOM 461 CB LEU A 30 -15.040 0.736 -2.272 1.00 0.00 C ATOM 462 CG LEU A 30 -14.060 1.703 -2.954 1.00 0.00 C ATOM 463 CD1 LEU A 30 -13.670 1.273 -4.309 1.00 0.00 C ATOM 464 CD2 LEU A 30 -14.605 3.070 -2.982 1.00 0.00 C ATOM 0 H LEU A 30 -15.738 -1.332 -0.989 1.00 0.00 H new ATOM 0 HA LEU A 30 -13.226 -0.217 -1.684 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.455 0.015 -2.977 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -15.882 1.262 -1.822 1.00 0.00 H new ATOM 0 HG LEU A 30 -13.152 1.694 -2.351 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -12.977 1.998 -4.736 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -13.187 0.297 -4.256 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -14.557 1.205 -4.939 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -13.893 3.736 -3.470 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -15.544 3.076 -3.535 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -14.782 3.412 -1.962 1.00 0.00 H new ATOM 476 N GLU A 31 -14.973 1.036 0.763 1.00 0.00 N ATOM 477 CA GLU A 31 -15.102 1.875 1.902 1.00 0.00 C ATOM 478 C GLU A 31 -13.939 1.697 2.852 1.00 0.00 C ATOM 479 O GLU A 31 -13.433 2.667 3.405 1.00 0.00 O ATOM 480 CB GLU A 31 -16.435 1.443 2.510 1.00 0.00 C ATOM 481 CG GLU A 31 -17.017 2.548 3.321 1.00 0.00 C ATOM 482 CD GLU A 31 -18.272 2.105 4.055 1.00 0.00 C ATOM 483 OE1 GLU A 31 -19.374 2.243 3.486 1.00 0.00 O ATOM 484 OE2 GLU A 31 -18.153 1.634 5.210 1.00 0.00 O ATOM 0 H GLU A 31 -15.746 0.375 0.681 1.00 0.00 H new ATOM 0 HA GLU A 31 -15.088 2.938 1.661 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -17.129 1.160 1.718 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -16.289 0.562 3.135 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -16.278 2.899 4.042 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -17.254 3.391 2.671 1.00 0.00 H new ATOM 491 N GLY A 32 -13.476 0.457 2.972 1.00 0.00 N ATOM 492 CA GLY A 32 -12.182 0.141 3.561 1.00 0.00 C ATOM 493 C GLY A 32 -10.971 0.476 2.732 1.00 0.00 C ATOM 494 O GLY A 32 -10.034 1.036 3.262 1.00 0.00 O ATOM 0 H GLY A 32 -13.995 -0.364 2.660 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -12.102 0.667 4.512 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -12.159 -0.926 3.784 1.00 0.00 H new ATOM 498 N LEU A 33 -10.965 0.252 1.430 1.00 0.00 N ATOM 499 CA LEU A 33 -9.870 0.618 0.531 1.00 0.00 C ATOM 500 C LEU A 33 -9.557 2.107 0.534 1.00 0.00 C ATOM 501 O LEU A 33 -8.416 2.515 0.514 1.00 0.00 O ATOM 502 CB LEU A 33 -10.369 0.226 -0.860 1.00 0.00 C ATOM 503 CG LEU A 33 -9.457 0.597 -2.029 1.00 0.00 C ATOM 504 CD1 LEU A 33 -8.001 0.269 -1.836 1.00 0.00 C ATOM 505 CD2 LEU A 33 -9.895 -0.210 -3.220 1.00 0.00 C ATOM 0 H LEU A 33 -11.741 -0.202 0.949 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.952 0.119 0.841 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -10.527 -0.852 -0.877 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -11.341 0.693 -1.021 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.543 1.678 -2.139 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.440 0.571 -2.720 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.620 0.802 -0.965 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.887 -0.804 -1.683 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.263 0.031 -4.075 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.807 -1.272 -2.992 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.932 0.026 -3.458 1.00 0.00 H new ATOM 517 N GLU A 34 -10.609 2.887 0.572 1.00 0.00 N ATOM 518 CA GLU A 34 -10.699 4.327 0.795 1.00 0.00 C ATOM 519 C GLU A 34 -10.215 4.779 2.186 1.00 0.00 C ATOM 520 O GLU A 34 -9.664 5.870 2.335 1.00 0.00 O ATOM 521 CB GLU A 34 -12.164 4.700 0.658 1.00 0.00 C ATOM 522 CG GLU A 34 -12.623 4.825 -0.791 1.00 0.00 C ATOM 523 CD GLU A 34 -12.215 6.156 -1.402 1.00 0.00 C ATOM 524 OE1 GLU A 34 -11.020 6.336 -1.718 1.00 0.00 O ATOM 525 OE2 GLU A 34 -13.099 7.020 -1.603 1.00 0.00 O ATOM 0 H GLU A 34 -11.538 2.489 0.432 1.00 0.00 H new ATOM 0 HA GLU A 34 -10.051 4.819 0.069 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -12.772 3.947 1.160 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -12.340 5.646 1.170 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -12.198 4.011 -1.378 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -13.707 4.721 -0.839 1.00 0.00 H new ATOM 532 N GLU A 35 -10.411 3.933 3.211 1.00 0.00 N ATOM 533 CA GLU A 35 -9.792 4.079 4.558 1.00 0.00 C ATOM 534 C GLU A 35 -8.314 3.720 4.540 1.00 0.00 C ATOM 535 O GLU A 35 -7.516 4.432 5.135 1.00 0.00 O ATOM 536 CB GLU A 35 -10.444 3.223 5.657 1.00 0.00 C ATOM 537 CG GLU A 35 -11.873 3.628 5.978 1.00 0.00 C ATOM 538 CD GLU A 35 -11.912 4.613 7.133 1.00 0.00 C ATOM 539 OE1 GLU A 35 -11.960 4.150 8.294 1.00 0.00 O ATOM 540 OE2 GLU A 35 -11.910 5.841 6.887 1.00 0.00 O ATOM 0 H GLU A 35 -11.012 3.112 3.135 1.00 0.00 H new ATOM 0 HA GLU A 35 -9.948 5.131 4.796 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.433 2.178 5.346 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.843 3.292 6.564 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -12.335 4.075 5.098 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -12.458 2.743 6.230 1.00 0.00 H new ATOM 547 N LEU A 36 -7.940 2.680 3.795 1.00 0.00 N ATOM 548 CA LEU A 36 -6.560 2.347 3.449 1.00 0.00 C ATOM 549 C LEU A 36 -5.949 3.496 2.636 1.00 0.00 C ATOM 550 O LEU A 36 -4.793 3.831 2.833 1.00 0.00 O ATOM 551 CB LEU A 36 -6.375 1.017 2.681 1.00 0.00 C ATOM 552 CG LEU A 36 -6.994 -0.235 3.283 1.00 0.00 C ATOM 553 CD1 LEU A 36 -6.864 -1.408 2.319 1.00 0.00 C ATOM 554 CD2 LEU A 36 -6.231 -0.593 4.522 1.00 0.00 C ATOM 0 H LEU A 36 -8.614 2.023 3.402 1.00 0.00 H new ATOM 0 HA LEU A 36 -6.046 2.206 4.400 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.786 1.147 1.680 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.305 0.841 2.566 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.045 -0.040 3.495 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.312 -2.296 2.764 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.377 -1.172 1.387 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.810 -1.596 2.115 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.661 -1.490 4.968 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.188 -0.780 4.266 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.288 0.230 5.235 1.00 0.00 H new ATOM 566 N GLU A 37 -6.725 4.138 1.757 1.00 0.00 N ATOM 567 CA GLU A 37 -6.304 5.255 0.926 1.00 0.00 C ATOM 568 C GLU A 37 -6.032 6.493 1.733 1.00 0.00 C ATOM 569 O GLU A 37 -5.021 7.170 1.549 1.00 0.00 O ATOM 570 CB GLU A 37 -7.349 5.623 -0.117 1.00 0.00 C ATOM 571 CG GLU A 37 -6.754 6.287 -1.353 1.00 0.00 C ATOM 572 CD GLU A 37 -6.554 7.793 -1.236 1.00 0.00 C ATOM 573 OE1 GLU A 37 -7.394 8.479 -0.610 1.00 0.00 O ATOM 574 OE2 GLU A 37 -5.576 8.301 -1.839 1.00 0.00 O ATOM 0 H GLU A 37 -7.700 3.879 1.604 1.00 0.00 H new ATOM 0 HA GLU A 37 -5.390 4.913 0.440 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.885 4.723 -0.418 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.081 6.295 0.332 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -5.792 5.823 -1.570 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.404 6.086 -2.205 1.00 0.00 H new ATOM 581 N ALA A 38 -6.913 6.745 2.696 1.00 0.00 N ATOM 582 CA ALA A 38 -6.647 7.762 3.672 1.00 0.00 C ATOM 583 C ALA A 38 -5.426 7.372 4.513 1.00 0.00 C ATOM 584 O ALA A 38 -4.493 8.157 4.605 1.00 0.00 O ATOM 585 CB ALA A 38 -7.892 8.008 4.533 1.00 0.00 C ATOM 0 H ALA A 38 -7.802 6.259 2.810 1.00 0.00 H new ATOM 0 HA ALA A 38 -6.412 8.701 3.170 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.678 8.782 5.270 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.716 8.331 3.897 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -8.168 7.086 5.045 1.00 0.00 H new ATOM 591 N TYR A 39 -5.348 6.146 5.040 1.00 0.00 N ATOM 592 CA TYR A 39 -4.256 5.718 5.922 1.00 0.00 C ATOM 593 C TYR A 39 -2.888 5.751 5.192 1.00 0.00 C ATOM 594 O TYR A 39 -1.867 6.112 5.782 1.00 0.00 O ATOM 595 CB TYR A 39 -4.539 4.320 6.510 1.00 0.00 C ATOM 596 CG TYR A 39 -3.350 3.389 6.545 1.00 0.00 C ATOM 597 CD1 TYR A 39 -3.110 2.567 5.432 1.00 0.00 C ATOM 598 CD2 TYR A 39 -2.416 3.432 7.596 1.00 0.00 C ATOM 599 CE1 TYR A 39 -1.916 1.849 5.321 1.00 0.00 C ATOM 600 CE2 TYR A 39 -1.234 2.668 7.515 1.00 0.00 C ATOM 601 CZ TYR A 39 -0.978 1.891 6.367 1.00 0.00 C ATOM 602 OH TYR A 39 0.169 1.163 6.273 1.00 0.00 O ATOM 0 H TYR A 39 -6.043 5.419 4.867 1.00 0.00 H new ATOM 0 HA TYR A 39 -4.202 6.427 6.748 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -4.918 4.439 7.525 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -5.332 3.851 5.927 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.855 2.489 4.654 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -2.604 4.049 8.463 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -1.715 1.264 4.435 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -0.526 2.678 8.331 1.00 0.00 H new ATOM 0 HH TYR A 39 0.522 1.225 5.361 1.00 0.00 H new ATOM 612 N TYR A 40 -2.886 5.486 3.888 1.00 0.00 N ATOM 613 CA TYR A 40 -1.765 5.644 2.956 1.00 0.00 C ATOM 614 C TYR A 40 -1.339 7.110 2.962 1.00 0.00 C ATOM 615 O TYR A 40 -0.226 7.413 3.380 1.00 0.00 O ATOM 616 CB TYR A 40 -2.301 5.216 1.567 1.00 0.00 C ATOM 617 CG TYR A 40 -1.618 5.706 0.303 1.00 0.00 C ATOM 618 CD1 TYR A 40 -0.291 5.370 -0.003 1.00 0.00 C ATOM 619 CD2 TYR A 40 -2.377 6.469 -0.610 1.00 0.00 C ATOM 620 CE1 TYR A 40 0.267 5.793 -1.228 1.00 0.00 C ATOM 621 CE2 TYR A 40 -1.808 6.922 -1.801 1.00 0.00 C ATOM 622 CZ TYR A 40 -0.486 6.585 -2.114 1.00 0.00 C ATOM 623 OH TYR A 40 0.047 7.027 -3.278 1.00 0.00 O ATOM 0 H TYR A 40 -3.721 5.132 3.421 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.897 5.042 3.225 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -2.292 4.126 1.538 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -3.344 5.527 1.513 1.00 0.00 H new ATOM 0 HD1 TYR A 40 0.299 4.792 0.693 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -3.407 6.704 -0.385 1.00 0.00 H new ATOM 0 HE1 TYR A 40 1.276 5.508 -1.486 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -2.386 7.531 -2.480 1.00 0.00 H new ATOM 0 HH TYR A 40 1.012 6.856 -3.282 1.00 0.00 H new ATOM 633 N LYS A 41 -2.249 8.040 2.677 1.00 0.00 N ATOM 634 CA LYS A 41 -1.926 9.475 2.683 1.00 0.00 C ATOM 635 C LYS A 41 -1.474 10.006 4.070 1.00 0.00 C ATOM 636 O LYS A 41 -0.559 10.829 4.172 1.00 0.00 O ATOM 637 CB LYS A 41 -3.135 10.251 2.187 1.00 0.00 C ATOM 638 CG LYS A 41 -3.525 9.800 0.769 1.00 0.00 C ATOM 639 CD LYS A 41 -3.209 10.802 -0.340 1.00 0.00 C ATOM 640 CE LYS A 41 -1.694 10.896 -0.517 1.00 0.00 C ATOM 641 NZ LYS A 41 -1.155 12.235 -0.175 1.00 0.00 N ATOM 0 H LYS A 41 -3.218 7.830 2.438 1.00 0.00 H new ATOM 0 HA LYS A 41 -1.073 9.620 2.020 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.974 10.100 2.866 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -2.913 11.318 2.187 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -3.012 8.864 0.548 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.594 9.589 0.753 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.677 10.489 -1.273 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.619 11.780 -0.090 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.213 10.145 0.110 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.439 10.660 -1.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.124 12.240 -0.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.591 12.952 -0.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.372 12.453 0.819 1.00 0.00 H new ATOM 655 N LYS A 42 -2.106 9.519 5.144 1.00 0.00 N ATOM 656 CA LYS A 42 -1.909 9.848 6.537 1.00 0.00 C ATOM 657 C LYS A 42 -0.540 9.396 7.063 1.00 0.00 C ATOM 658 O LYS A 42 0.147 10.180 7.707 1.00 0.00 O ATOM 659 CB LYS A 42 -3.036 9.108 7.266 1.00 0.00 C ATOM 660 CG LYS A 42 -4.443 9.710 7.112 1.00 0.00 C ATOM 661 CD LYS A 42 -4.727 10.933 7.979 1.00 0.00 C ATOM 662 CE LYS A 42 -6.110 11.413 7.519 1.00 0.00 C ATOM 663 NZ LYS A 42 -6.384 12.811 7.917 1.00 0.00 N ATOM 0 H LYS A 42 -2.838 8.817 5.035 1.00 0.00 H new ATOM 0 HA LYS A 42 -1.931 10.926 6.693 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -3.061 8.079 6.907 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.792 9.070 8.328 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.591 9.983 6.067 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -5.178 8.940 7.347 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.727 10.678 9.039 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.971 11.705 7.837 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -6.179 11.327 6.435 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.876 10.762 7.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.329 13.088 7.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.345 12.891 8.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.670 13.438 7.495 1.00 0.00 H new ATOM 677 N ARG A 43 -0.141 8.147 6.831 1.00 0.00 N ATOM 678 CA ARG A 43 1.209 7.685 7.141 1.00 0.00 C ATOM 679 C ARG A 43 2.306 8.250 6.245 1.00 0.00 C ATOM 680 O ARG A 43 3.373 8.545 6.739 1.00 0.00 O ATOM 681 CB ARG A 43 1.256 6.155 7.206 1.00 0.00 C ATOM 682 CG ARG A 43 2.466 5.694 8.042 1.00 0.00 C ATOM 683 CD ARG A 43 2.745 4.199 7.863 1.00 0.00 C ATOM 684 NE ARG A 43 3.896 3.791 8.696 1.00 0.00 N ATOM 685 CZ ARG A 43 4.753 2.809 8.462 1.00 0.00 C ATOM 686 NH1 ARG A 43 4.691 2.053 7.397 1.00 0.00 N ATOM 687 NH2 ARG A 43 5.707 2.558 9.319 1.00 0.00 N ATOM 0 H ARG A 43 -0.742 7.430 6.425 1.00 0.00 H new ATOM 0 HA ARG A 43 1.436 8.091 8.127 1.00 0.00 H new ATOM 0 HB2 ARG A 43 0.334 5.774 7.646 1.00 0.00 H new ATOM 0 HB3 ARG A 43 1.322 5.743 6.199 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.347 6.266 7.751 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.282 5.906 9.095 1.00 0.00 H new ATOM 0 HD2 ARG A 43 1.863 3.621 8.140 1.00 0.00 H new ATOM 0 HD3 ARG A 43 2.951 3.983 6.815 1.00 0.00 H new ATOM 0 HE ARG A 43 4.048 4.328 9.550 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.960 2.208 6.703 1.00 0.00 H new ATOM 0 HH12 ARG A 43 5.374 1.308 7.260 1.00 0.00 H new ATOM 0 HH21 ARG A 43 5.791 3.118 10.167 1.00 0.00 H new ATOM 0 HH22 ARG A 43 6.368 1.802 9.140 1.00 0.00 H new ATOM 701 N VAL A 44 2.136 8.391 4.936 1.00 0.00 N ATOM 702 CA VAL A 44 3.236 8.588 3.985 1.00 0.00 C ATOM 703 C VAL A 44 4.139 9.792 4.239 1.00 0.00 C ATOM 704 O VAL A 44 5.346 9.759 4.012 1.00 0.00 O ATOM 705 CB VAL A 44 2.571 8.577 2.607 1.00 0.00 C ATOM 706 CG1 VAL A 44 3.192 9.437 1.532 1.00 0.00 C ATOM 707 CG2 VAL A 44 2.562 7.103 2.250 1.00 0.00 C ATOM 0 H VAL A 44 1.217 8.372 4.493 1.00 0.00 H new ATOM 0 HA VAL A 44 3.968 7.788 4.091 1.00 0.00 H new ATOM 0 HB VAL A 44 1.586 9.041 2.662 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.621 9.334 0.609 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.183 10.480 1.850 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.220 9.119 1.360 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.103 6.969 1.270 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.585 6.728 2.226 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.991 6.551 2.997 1.00 0.00 H new ATOM 802 N LYS A 50 8.864 6.195 -0.758 1.00 0.00 N ATOM 803 CA LYS A 50 9.647 6.629 -1.897 1.00 0.00 C ATOM 804 C LYS A 50 8.784 6.503 -3.160 1.00 0.00 C ATOM 805 O LYS A 50 7.643 6.044 -3.110 1.00 0.00 O ATOM 806 CB LYS A 50 10.922 5.760 -1.964 1.00 0.00 C ATOM 807 CG LYS A 50 10.724 4.302 -2.436 1.00 0.00 C ATOM 808 CD LYS A 50 11.234 3.287 -1.407 1.00 0.00 C ATOM 809 CE LYS A 50 10.453 3.393 -0.101 1.00 0.00 C ATOM 810 NZ LYS A 50 11.052 2.609 0.996 1.00 0.00 N ATOM 0 HA LYS A 50 9.953 7.671 -1.809 1.00 0.00 H new ATOM 0 HB2 LYS A 50 11.633 6.244 -2.633 1.00 0.00 H new ATOM 0 HB3 LYS A 50 11.378 5.742 -0.974 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.666 4.124 -2.626 1.00 0.00 H new ATOM 0 HG3 LYS A 50 11.247 4.153 -3.381 1.00 0.00 H new ATOM 0 HD2 LYS A 50 11.141 2.278 -1.809 1.00 0.00 H new ATOM 0 HD3 LYS A 50 12.293 3.458 -1.216 1.00 0.00 H new ATOM 0 HE2 LYS A 50 10.396 4.440 0.197 1.00 0.00 H new ATOM 0 HE3 LYS A 50 9.431 3.053 -0.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 10.478 2.720 1.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 11.083 1.605 0.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 12.018 2.949 1.178 1.00 0.00 H new ATOM 824 N ASP A 51 9.316 6.855 -4.331 1.00 0.00 N ATOM 825 CA ASP A 51 8.548 6.699 -5.576 1.00 0.00 C ATOM 826 C ASP A 51 8.036 5.266 -5.756 1.00 0.00 C ATOM 827 O ASP A 51 6.867 5.037 -6.046 1.00 0.00 O ATOM 828 CB ASP A 51 9.359 7.178 -6.785 1.00 0.00 C ATOM 829 CG ASP A 51 10.681 6.422 -7.033 1.00 0.00 C ATOM 830 OD1 ASP A 51 11.676 6.700 -6.322 1.00 0.00 O ATOM 831 OD2 ASP A 51 10.721 5.566 -7.952 1.00 0.00 O ATOM 0 H ASP A 51 10.253 7.241 -4.448 1.00 0.00 H new ATOM 0 HA ASP A 51 7.666 7.335 -5.502 1.00 0.00 H new ATOM 0 HB2 ASP A 51 8.737 7.091 -7.676 1.00 0.00 H new ATOM 0 HB3 ASP A 51 9.584 8.237 -6.655 1.00 0.00 H new ATOM 836 N THR A 52 8.878 4.290 -5.443 1.00 0.00 N ATOM 837 CA THR A 52 8.638 2.876 -5.675 1.00 0.00 C ATOM 838 C THR A 52 7.403 2.308 -4.976 1.00 0.00 C ATOM 839 O THR A 52 6.634 1.622 -5.648 1.00 0.00 O ATOM 840 CB THR A 52 9.838 2.110 -5.118 1.00 0.00 C ATOM 841 OG1 THR A 52 11.049 2.592 -5.657 1.00 0.00 O ATOM 842 CG2 THR A 52 9.780 0.602 -5.344 1.00 0.00 C ATOM 0 H THR A 52 9.781 4.471 -5.004 1.00 0.00 H new ATOM 0 HA THR A 52 8.482 2.766 -6.748 1.00 0.00 H new ATOM 0 HB THR A 52 9.795 2.285 -4.043 1.00 0.00 H new ATOM 0 HG1 THR A 52 11.779 2.419 -5.027 1.00 0.00 H new ATOM 0 HG21 THR A 52 10.669 0.136 -4.918 1.00 0.00 H new ATOM 0 HG22 THR A 52 8.891 0.196 -4.862 1.00 0.00 H new ATOM 0 HG23 THR A 52 9.739 0.396 -6.414 1.00 0.00 H new ATOM 850 N ASP A 53 7.181 2.549 -3.668 1.00 0.00 N ATOM 851 CA ASP A 53 5.932 2.099 -3.037 1.00 0.00 C ATOM 852 C ASP A 53 4.756 2.788 -3.692 1.00 0.00 C ATOM 853 O ASP A 53 3.776 2.139 -4.057 1.00 0.00 O ATOM 854 CB ASP A 53 5.799 2.286 -1.492 1.00 0.00 C ATOM 855 CG ASP A 53 6.945 2.921 -0.688 1.00 0.00 C ATOM 856 OD1 ASP A 53 7.697 3.737 -1.256 1.00 0.00 O ATOM 857 OD2 ASP A 53 7.068 2.616 0.523 1.00 0.00 O ATOM 0 H ASP A 53 7.828 3.036 -3.049 1.00 0.00 H new ATOM 0 HA ASP A 53 5.948 1.020 -3.192 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.908 2.888 -1.315 1.00 0.00 H new ATOM 0 HB3 ASP A 53 5.609 1.302 -1.063 1.00 0.00 H new ATOM 862 N ASP A 54 4.894 4.095 -3.871 1.00 0.00 N ATOM 863 CA ASP A 54 3.744 4.954 -4.091 1.00 0.00 C ATOM 864 C ASP A 54 3.021 4.612 -5.377 1.00 0.00 C ATOM 865 O ASP A 54 1.811 4.445 -5.373 1.00 0.00 O ATOM 866 CB ASP A 54 4.324 6.377 -4.220 1.00 0.00 C ATOM 867 CG ASP A 54 3.261 7.481 -4.155 1.00 0.00 C ATOM 868 OD1 ASP A 54 2.588 7.620 -3.107 1.00 0.00 O ATOM 869 OD2 ASP A 54 3.093 8.221 -5.156 1.00 0.00 O ATOM 0 H ASP A 54 5.791 4.581 -3.868 1.00 0.00 H new ATOM 0 HA ASP A 54 3.026 4.844 -3.278 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.052 6.537 -3.424 1.00 0.00 H new ATOM 0 HB3 ASP A 54 4.862 6.457 -5.165 1.00 0.00 H new ATOM 874 N ILE A 55 3.764 4.435 -6.466 1.00 0.00 N ATOM 875 CA ILE A 55 3.179 4.053 -7.764 1.00 0.00 C ATOM 876 C ILE A 55 2.628 2.640 -7.777 1.00 0.00 C ATOM 877 O ILE A 55 1.515 2.394 -8.220 1.00 0.00 O ATOM 878 CB ILE A 55 4.168 4.162 -8.958 1.00 0.00 C ATOM 879 CG1 ILE A 55 5.365 5.111 -8.748 1.00 0.00 C ATOM 880 CG2 ILE A 55 3.389 4.541 -10.230 1.00 0.00 C ATOM 881 CD1 ILE A 55 6.654 4.268 -8.840 1.00 0.00 C ATOM 0 H ILE A 55 4.777 4.549 -6.483 1.00 0.00 H new ATOM 0 HA ILE A 55 2.374 4.777 -7.889 1.00 0.00 H new ATOM 0 HB ILE A 55 4.624 3.177 -9.055 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.367 5.897 -9.503 1.00 0.00 H new ATOM 0 HG13 ILE A 55 5.298 5.602 -7.777 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.079 4.618 -11.070 1.00 0.00 H new ATOM 0 HG22 ILE A 55 2.644 3.774 -10.442 1.00 0.00 H new ATOM 0 HG23 ILE A 55 2.891 5.499 -10.080 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.521 4.912 -8.695 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.641 3.498 -8.068 1.00 0.00 H new ATOM 0 HD13 ILE A 55 6.712 3.797 -9.821 1.00 0.00 H new ATOM 893 N SER A 56 3.426 1.709 -7.254 1.00 0.00 N ATOM 894 CA SER A 56 3.106 0.288 -7.346 1.00 0.00 C ATOM 895 C SER A 56 1.831 -0.057 -6.579 1.00 0.00 C ATOM 896 O SER A 56 0.918 -0.713 -7.073 1.00 0.00 O ATOM 897 CB SER A 56 4.305 -0.509 -6.822 1.00 0.00 C ATOM 898 OG SER A 56 5.086 -1.019 -7.890 1.00 0.00 O ATOM 0 H SER A 56 4.296 1.915 -6.764 1.00 0.00 H new ATOM 0 HA SER A 56 2.914 0.027 -8.387 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.922 0.130 -6.189 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.954 -1.332 -6.199 1.00 0.00 H new ATOM 0 HG SER A 56 5.846 -1.522 -7.529 1.00 0.00 H new ATOM 904 N VAL A 57 1.813 0.415 -5.335 1.00 0.00 N ATOM 905 CA VAL A 57 0.702 0.311 -4.403 1.00 0.00 C ATOM 906 C VAL A 57 -0.479 1.140 -4.840 1.00 0.00 C ATOM 907 O VAL A 57 -1.582 0.632 -4.882 1.00 0.00 O ATOM 908 CB VAL A 57 1.150 0.615 -2.973 1.00 0.00 C ATOM 909 CG1 VAL A 57 0.919 2.030 -2.514 1.00 0.00 C ATOM 910 CG2 VAL A 57 0.438 -0.245 -1.951 1.00 0.00 C ATOM 0 H VAL A 57 2.613 0.903 -4.934 1.00 0.00 H new ATOM 0 HA VAL A 57 0.357 -0.723 -4.408 1.00 0.00 H new ATOM 0 HB VAL A 57 2.220 0.413 -3.025 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.271 2.142 -1.488 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.465 2.716 -3.161 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.146 2.258 -2.559 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.791 0.009 -0.952 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.636 -0.069 -2.012 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.645 -1.296 -2.152 1.00 0.00 H new ATOM 920 N ARG A 58 -0.274 2.396 -5.261 1.00 0.00 N ATOM 921 CA ARG A 58 -1.410 3.224 -5.674 1.00 0.00 C ATOM 922 C ARG A 58 -2.080 2.656 -6.888 1.00 0.00 C ATOM 923 O ARG A 58 -3.297 2.643 -6.964 1.00 0.00 O ATOM 924 CB ARG A 58 -1.044 4.637 -6.086 1.00 0.00 C ATOM 925 CG ARG A 58 -2.248 5.553 -6.316 1.00 0.00 C ATOM 926 CD ARG A 58 -3.154 5.714 -5.084 1.00 0.00 C ATOM 927 NE ARG A 58 -4.196 6.740 -5.295 1.00 0.00 N ATOM 928 CZ ARG A 58 -4.045 8.055 -5.266 1.00 0.00 C ATOM 929 NH1 ARG A 58 -2.895 8.626 -5.021 1.00 0.00 N ATOM 930 NH2 ARG A 58 -5.065 8.835 -5.498 1.00 0.00 N ATOM 0 H ARG A 58 0.638 2.848 -5.323 1.00 0.00 H new ATOM 0 HA ARG A 58 -2.042 3.238 -4.786 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -0.409 5.076 -5.316 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -0.453 4.596 -7.001 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -1.891 6.536 -6.623 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -2.840 5.157 -7.141 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.627 4.759 -4.854 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.547 5.986 -4.220 1.00 0.00 H new ATOM 0 HE ARG A 58 -5.138 6.397 -5.484 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -2.069 8.054 -4.843 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -2.823 9.643 -5.008 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -5.979 8.432 -5.702 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -4.948 9.848 -5.475 1.00 0.00 H new ATOM 944 N ASP A 59 -1.300 2.193 -7.852 1.00 0.00 N ATOM 945 CA ASP A 59 -1.898 1.736 -9.101 1.00 0.00 C ATOM 946 C ASP A 59 -2.759 0.481 -8.885 1.00 0.00 C ATOM 947 O ASP A 59 -3.652 0.184 -9.668 1.00 0.00 O ATOM 948 CB ASP A 59 -0.796 1.444 -10.121 1.00 0.00 C ATOM 949 CG ASP A 59 -1.323 1.072 -11.523 1.00 0.00 C ATOM 950 OD1 ASP A 59 -1.869 1.962 -12.219 1.00 0.00 O ATOM 951 OD2 ASP A 59 -1.153 -0.096 -11.948 1.00 0.00 O ATOM 0 H ASP A 59 -0.284 2.123 -7.801 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.548 2.526 -9.477 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.152 2.320 -10.206 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -0.177 0.628 -9.748 1.00 0.00 H new ATOM 956 N ALA A 60 -2.377 -0.312 -7.882 1.00 0.00 N ATOM 957 CA ALA A 60 -3.088 -1.408 -7.252 1.00 0.00 C ATOM 958 C ALA A 60 -4.286 -1.042 -6.367 1.00 0.00 C ATOM 959 O ALA A 60 -5.310 -1.697 -6.396 1.00 0.00 O ATOM 960 CB ALA A 60 -2.051 -2.211 -6.495 1.00 0.00 C ATOM 0 H ALA A 60 -1.462 -0.181 -7.451 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.573 -1.979 -8.043 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.534 -3.053 -5.999 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.299 -2.583 -7.191 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.573 -1.576 -5.749 1.00 0.00 H new ATOM 966 N LEU A 61 -4.144 -0.013 -5.540 1.00 0.00 N ATOM 967 CA LEU A 61 -5.132 0.540 -4.640 1.00 0.00 C ATOM 968 C LEU A 61 -6.229 1.225 -5.436 1.00 0.00 C ATOM 969 O LEU A 61 -7.374 0.802 -5.395 1.00 0.00 O ATOM 970 CB LEU A 61 -4.315 1.560 -3.829 1.00 0.00 C ATOM 971 CG LEU A 61 -5.044 2.172 -2.654 1.00 0.00 C ATOM 972 CD1 LEU A 61 -4.031 2.438 -1.548 1.00 0.00 C ATOM 973 CD2 LEU A 61 -5.858 3.415 -2.979 1.00 0.00 C ATOM 0 H LEU A 61 -3.260 0.493 -5.482 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.630 -0.200 -4.014 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.412 1.071 -3.463 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.996 2.360 -4.496 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.795 1.452 -2.329 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.537 2.880 -0.690 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.563 1.500 -1.250 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.267 3.125 -1.912 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.343 3.780 -2.073 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.199 4.188 -3.374 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.616 3.169 -3.723 1.00 0.00 H new ATOM 985 N ALA A 62 -5.831 2.114 -6.340 1.00 0.00 N ATOM 986 CA ALA A 62 -6.664 2.581 -7.439 1.00 0.00 C ATOM 987 C ALA A 62 -7.121 1.454 -8.384 1.00 0.00 C ATOM 988 O ALA A 62 -8.203 1.496 -8.973 1.00 0.00 O ATOM 989 CB ALA A 62 -5.992 3.741 -8.177 1.00 0.00 C ATOM 0 H ALA A 62 -4.903 2.537 -6.328 1.00 0.00 H new ATOM 0 HA ALA A 62 -7.586 2.961 -6.999 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.633 4.073 -8.994 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.829 4.567 -7.485 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.034 3.410 -8.579 1.00 0.00 H new ATOM 995 N GLY A 63 -6.277 0.431 -8.498 1.00 0.00 N ATOM 996 CA GLY A 63 -6.466 -0.811 -9.221 1.00 0.00 C ATOM 997 C GLY A 63 -7.727 -1.497 -8.741 1.00 0.00 C ATOM 998 O GLY A 63 -8.640 -1.752 -9.521 1.00 0.00 O ATOM 0 H GLY A 63 -5.364 0.459 -8.044 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.533 -0.613 -10.291 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -5.606 -1.464 -9.071 1.00 0.00 H new ATOM 1002 N LYS A 64 -7.774 -1.720 -7.426 1.00 0.00 N ATOM 1003 CA LYS A 64 -8.884 -2.270 -6.683 1.00 0.00 C ATOM 1004 C LYS A 64 -10.065 -1.319 -6.600 1.00 0.00 C ATOM 1005 O LYS A 64 -11.203 -1.749 -6.586 1.00 0.00 O ATOM 1006 CB LYS A 64 -8.402 -2.892 -5.364 1.00 0.00 C ATOM 1007 CG LYS A 64 -9.389 -3.958 -4.852 1.00 0.00 C ATOM 1008 CD LYS A 64 -8.787 -5.361 -4.732 1.00 0.00 C ATOM 1009 CE LYS A 64 -9.886 -6.378 -4.378 1.00 0.00 C ATOM 1010 NZ LYS A 64 -9.379 -7.773 -4.339 1.00 0.00 N ATOM 0 H LYS A 64 -6.981 -1.503 -6.823 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.307 -3.107 -7.238 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -7.420 -3.343 -5.510 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -8.286 -2.111 -4.613 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -9.765 -3.651 -3.876 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -10.245 -3.998 -5.525 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -8.309 -5.642 -5.671 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -8.012 -5.369 -3.965 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -10.314 -6.123 -3.408 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -10.691 -6.308 -5.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -10.178 -8.430 -4.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -8.874 -7.984 -5.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -8.729 -7.884 -3.535 1.00 0.00 H new ATOM 1024 N ARG A 65 -9.832 -0.018 -6.521 1.00 0.00 N ATOM 1025 CA ARG A 65 -10.856 0.981 -6.306 1.00 0.00 C ATOM 1026 C ARG A 65 -11.925 0.864 -7.368 1.00 0.00 C ATOM 1027 O ARG A 65 -13.064 0.615 -7.035 1.00 0.00 O ATOM 1028 CB ARG A 65 -10.214 2.359 -6.259 1.00 0.00 C ATOM 1029 CG ARG A 65 -10.945 3.422 -5.427 1.00 0.00 C ATOM 1030 CD ARG A 65 -9.819 4.256 -4.812 1.00 0.00 C ATOM 1031 NE ARG A 65 -10.294 5.529 -4.267 1.00 0.00 N ATOM 1032 CZ ARG A 65 -10.534 6.664 -4.895 1.00 0.00 C ATOM 1033 NH1 ARG A 65 -10.367 6.827 -6.181 1.00 0.00 N ATOM 1034 NH2 ARG A 65 -10.966 7.682 -4.205 1.00 0.00 N ATOM 0 H ARG A 65 -8.896 0.379 -6.608 1.00 0.00 H new ATOM 0 HA ARG A 65 -11.350 0.820 -5.348 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -9.203 2.252 -5.866 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -10.121 2.728 -7.280 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -11.600 4.033 -6.048 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -11.569 2.966 -4.658 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -9.338 3.682 -4.019 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -9.060 4.450 -5.570 1.00 0.00 H new ATOM 0 HE ARG A 65 -10.463 5.540 -3.261 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -10.034 6.052 -6.754 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -10.569 7.729 -6.611 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -11.112 7.592 -3.200 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -11.158 8.569 -4.670 1.00 0.00 H new ATOM 1048 N ALA A 66 -11.518 0.779 -8.631 1.00 0.00 N ATOM 1049 CA ALA A 66 -12.458 0.591 -9.741 1.00 0.00 C ATOM 1050 C ALA A 66 -13.282 -0.691 -9.613 1.00 0.00 C ATOM 1051 O ALA A 66 -14.454 -0.726 -9.989 1.00 0.00 O ATOM 1052 CB ALA A 66 -11.728 0.536 -11.069 1.00 0.00 C ATOM 0 H ALA A 66 -10.540 0.837 -8.916 1.00 0.00 H new ATOM 0 HA ALA A 66 -13.129 1.449 -9.701 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -12.449 0.396 -11.875 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -11.186 1.469 -11.225 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -11.024 -0.296 -11.063 1.00 0.00 H new ATOM 1058 N GLU A 67 -12.661 -1.755 -9.095 1.00 0.00 N ATOM 1059 CA GLU A 67 -13.305 -3.054 -8.903 1.00 0.00 C ATOM 1060 C GLU A 67 -14.378 -2.958 -7.844 1.00 0.00 C ATOM 1061 O GLU A 67 -15.464 -3.525 -7.931 1.00 0.00 O ATOM 1062 CB GLU A 67 -12.295 -4.051 -8.339 1.00 0.00 C ATOM 1063 CG GLU A 67 -11.002 -4.116 -9.115 1.00 0.00 C ATOM 1064 CD GLU A 67 -11.145 -4.803 -10.471 1.00 0.00 C ATOM 1065 OE1 GLU A 67 -11.655 -5.948 -10.514 1.00 0.00 O ATOM 1066 OE2 GLU A 67 -10.715 -4.217 -11.494 1.00 0.00 O ATOM 0 H GLU A 67 -11.686 -1.736 -8.795 1.00 0.00 H new ATOM 0 HA GLU A 67 -13.707 -3.361 -9.868 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -12.074 -3.784 -7.305 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.748 -5.042 -8.323 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.626 -3.104 -9.266 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.257 -4.648 -8.523 1.00 0.00 H new ATOM 1073 N LEU A 68 -13.950 -2.332 -6.758 1.00 0.00 N ATOM 1074 CA LEU A 68 -14.687 -2.116 -5.547 1.00 0.00 C ATOM 1075 C LEU A 68 -15.865 -1.175 -5.663 1.00 0.00 C ATOM 1076 O LEU A 68 -16.834 -1.260 -4.930 1.00 0.00 O ATOM 1077 CB LEU A 68 -13.694 -1.821 -4.476 1.00 0.00 C ATOM 1078 CG LEU A 68 -13.200 -3.133 -3.906 1.00 0.00 C ATOM 1079 CD1 LEU A 68 -12.157 -2.735 -2.965 1.00 0.00 C ATOM 1080 CD2 LEU A 68 -14.218 -3.800 -2.991 1.00 0.00 C ATOM 0 H LEU A 68 -13.010 -1.938 -6.709 1.00 0.00 H new ATOM 0 HA LEU A 68 -15.229 -3.021 -5.273 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -12.861 -1.246 -4.880 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -14.150 -1.215 -3.693 1.00 0.00 H new ATOM 0 HG LEU A 68 -12.934 -3.797 -4.728 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -11.733 -3.622 -2.495 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -11.373 -2.196 -3.497 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -12.585 -2.089 -2.199 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -13.808 -4.736 -2.612 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -14.444 -3.138 -2.155 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -15.131 -4.003 -3.550 1.00 0.00 H new ATOM 1092 N GLU A 69 -15.701 -0.204 -6.552 1.00 0.00 N ATOM 1093 CA GLU A 69 -16.630 0.791 -7.021 1.00 0.00 C ATOM 1094 C GLU A 69 -17.657 0.199 -7.988 1.00 0.00 C ATOM 1095 O GLU A 69 -18.824 0.589 -8.010 1.00 0.00 O ATOM 1096 CB GLU A 69 -15.754 1.802 -7.747 1.00 0.00 C ATOM 1097 CG GLU A 69 -15.375 3.062 -6.980 1.00 0.00 C ATOM 1098 CD GLU A 69 -14.829 4.107 -7.940 1.00 0.00 C ATOM 1099 OE1 GLU A 69 -15.644 4.846 -8.536 1.00 0.00 O ATOM 1100 OE2 GLU A 69 -13.589 4.195 -8.093 1.00 0.00 O ATOM 0 H GLU A 69 -14.798 -0.091 -7.012 1.00 0.00 H new ATOM 0 HA GLU A 69 -17.204 1.224 -6.202 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -14.835 1.300 -8.049 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -16.268 2.102 -8.660 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -16.246 3.456 -6.457 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.628 2.826 -6.222 1.00 0.00 H new ATOM 1107 N ASP A 70 -17.213 -0.818 -8.738 1.00 0.00 N ATOM 1108 CA ASP A 70 -18.097 -1.817 -9.368 1.00 0.00 C ATOM 1109 C ASP A 70 -18.744 -2.729 -8.312 1.00 0.00 C ATOM 1110 O ASP A 70 -19.801 -3.319 -8.556 1.00 0.00 O ATOM 1111 CB ASP A 70 -17.331 -2.657 -10.420 1.00 0.00 C ATOM 1112 CG ASP A 70 -17.634 -2.228 -11.871 1.00 0.00 C ATOM 1113 OD1 ASP A 70 -18.774 -2.466 -12.345 1.00 0.00 O ATOM 1114 OD2 ASP A 70 -16.740 -1.676 -12.558 1.00 0.00 O ATOM 0 H ASP A 70 -16.223 -0.975 -8.928 1.00 0.00 H new ATOM 0 HA ASP A 70 -18.892 -1.276 -9.881 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -16.260 -2.569 -10.237 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -17.590 -3.708 -10.296 1.00 0.00 H new ATOM 1119 N SER A 71 -18.142 -2.777 -7.121 1.00 0.00 N ATOM 1120 CA SER A 71 -18.681 -3.498 -5.949 1.00 0.00 C ATOM 1121 C SER A 71 -19.319 -2.562 -4.883 1.00 0.00 C ATOM 1122 O SER A 71 -19.352 -2.880 -3.690 1.00 0.00 O ATOM 1123 CB SER A 71 -17.579 -4.393 -5.350 1.00 0.00 C ATOM 1124 OG SER A 71 -18.123 -5.507 -4.660 1.00 0.00 O ATOM 0 H SER A 71 -17.254 -2.312 -6.934 1.00 0.00 H new ATOM 0 HA SER A 71 -19.504 -4.123 -6.294 1.00 0.00 H new ATOM 0 HB2 SER A 71 -16.923 -4.744 -6.146 1.00 0.00 H new ATOM 0 HB3 SER A 71 -16.965 -3.806 -4.666 1.00 0.00 H new ATOM 0 HG SER A 71 -17.395 -6.053 -4.295 1.00 0.00 H new ATOM 1130 N ASP A 72 -19.797 -1.371 -5.298 1.00 0.00 N ATOM 1131 CA ASP A 72 -20.348 -0.307 -4.422 1.00 0.00 C ATOM 1132 C ASP A 72 -21.516 -0.765 -3.513 1.00 0.00 C ATOM 1133 O ASP A 72 -21.769 -0.170 -2.461 1.00 0.00 O ATOM 1134 CB ASP A 72 -20.784 0.888 -5.289 1.00 0.00 C ATOM 1135 CG ASP A 72 -21.421 2.054 -4.499 1.00 0.00 C ATOM 1136 OD1 ASP A 72 -20.690 2.787 -3.789 1.00 0.00 O ATOM 1137 OD2 ASP A 72 -22.654 2.261 -4.622 1.00 0.00 O ATOM 0 H ASP A 72 -19.812 -1.111 -6.284 1.00 0.00 H new ATOM 0 HA ASP A 72 -19.547 -0.023 -3.740 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -19.916 1.264 -5.830 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -21.498 0.538 -6.035 1.00 0.00 H new