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+ 154:sc= 0.337 (180deg=0.0892) USER MOD Set 1.2: A 39 TYR OH : rot 46:sc= 0.602 USER MOD Set 2.1: A 16 SER OG : rot 180:sc= 0.29 USER MOD Set 2.2: A 50 LYS NZ :NH3+ 173:sc= 0.59 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 MET CE :methyl -159:sc= -0.127 (180deg=-0.909) USER MOD Single : A 26 SER OG : rot -48:sc= 1.15 USER MOD Single : A 27 CYS SG : rot -87:sc= -3.84! USER MOD Single : A 28 GLN : amide:sc= 0.268 X(o=0.27,f=0) USER MOD Single : A 29 THR OG1 : rot -47:sc= 0.442 USER MOD Single : A 40 TYR OH : rot -39:sc= 1.23 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 52 THR OG1 : rot 164:sc= 1.5 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot -41:sc= 0.299 USER MOD ----------------------------------------------------------------- ATOM 206 N TYR A 13 13.103 -1.015 -1.387 1.00 0.00 N ATOM 207 CA TYR A 13 12.424 -0.958 -2.676 1.00 0.00 C ATOM 208 C TYR A 13 11.614 -2.256 -2.917 1.00 0.00 C ATOM 209 O TYR A 13 10.579 -2.238 -3.592 1.00 0.00 O ATOM 210 CB TYR A 13 13.513 -0.647 -3.722 1.00 0.00 C ATOM 211 CG TYR A 13 13.962 0.814 -3.675 1.00 0.00 C ATOM 212 CD1 TYR A 13 14.544 1.358 -2.513 1.00 0.00 C ATOM 213 CD2 TYR A 13 13.647 1.680 -4.738 1.00 0.00 C ATOM 214 CE1 TYR A 13 14.685 2.743 -2.355 1.00 0.00 C ATOM 215 CE2 TYR A 13 13.847 3.068 -4.608 1.00 0.00 C ATOM 216 CZ TYR A 13 14.350 3.604 -3.408 1.00 0.00 C ATOM 217 OH TYR A 13 14.455 4.951 -3.245 1.00 0.00 O ATOM 0 HA TYR A 13 11.670 -0.173 -2.734 1.00 0.00 H new ATOM 0 HB2 TYR A 13 14.373 -1.295 -3.552 1.00 0.00 H new ATOM 0 HB3 TYR A 13 13.133 -0.876 -4.718 1.00 0.00 H new ATOM 0 HD1 TYR A 13 14.887 0.697 -1.731 1.00 0.00 H new ATOM 0 HD2 TYR A 13 13.250 1.278 -5.658 1.00 0.00 H new ATOM 0 HE1 TYR A 13 15.051 3.146 -1.423 1.00 0.00 H new ATOM 0 HE2 TYR A 13 13.613 3.724 -5.433 1.00 0.00 H new ATOM 0 HH TYR A 13 14.185 5.403 -4.072 1.00 0.00 H new ATOM 227 N GLU A 14 12.004 -3.358 -2.247 1.00 0.00 N ATOM 228 CA GLU A 14 11.164 -4.553 -1.967 1.00 0.00 C ATOM 229 C GLU A 14 10.156 -4.335 -0.824 1.00 0.00 C ATOM 230 O GLU A 14 9.011 -4.776 -0.904 1.00 0.00 O ATOM 231 CB GLU A 14 12.067 -5.755 -1.653 1.00 0.00 C ATOM 232 CG GLU A 14 11.310 -7.076 -1.563 1.00 0.00 C ATOM 233 CD GLU A 14 12.297 -8.223 -1.411 1.00 0.00 C ATOM 234 OE1 GLU A 14 12.661 -8.552 -0.262 1.00 0.00 O ATOM 235 OE2 GLU A 14 12.702 -8.797 -2.450 1.00 0.00 O ATOM 0 H GLU A 14 12.947 -3.450 -1.869 1.00 0.00 H new ATOM 0 HA GLU A 14 10.575 -4.745 -2.864 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.833 -5.836 -2.425 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.583 -5.576 -0.710 1.00 0.00 H new ATOM 0 HG2 GLU A 14 10.626 -7.057 -0.715 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.704 -7.221 -2.458 1.00 0.00 H new ATOM 242 N ALA A 15 10.570 -3.609 0.220 1.00 0.00 N ATOM 243 CA ALA A 15 9.790 -3.277 1.436 1.00 0.00 C ATOM 244 C ALA A 15 8.438 -2.613 1.152 1.00 0.00 C ATOM 245 O ALA A 15 7.453 -2.770 1.871 1.00 0.00 O ATOM 246 CB ALA A 15 10.575 -2.232 2.223 1.00 0.00 C ATOM 0 H ALA A 15 11.509 -3.211 0.249 1.00 0.00 H new ATOM 0 HA ALA A 15 9.622 -4.222 1.953 1.00 0.00 H new ATOM 0 HB1 ALA A 15 10.025 -1.967 3.126 1.00 0.00 H new ATOM 0 HB2 ALA A 15 11.548 -2.639 2.498 1.00 0.00 H new ATOM 0 HB3 ALA A 15 10.714 -1.342 1.609 1.00 0.00 H new ATOM 252 N SER A 16 8.446 -1.849 0.069 1.00 0.00 N ATOM 253 CA SER A 16 7.428 -0.906 -0.363 1.00 0.00 C ATOM 254 C SER A 16 6.037 -1.564 -0.585 1.00 0.00 C ATOM 255 O SER A 16 4.991 -0.939 -0.408 1.00 0.00 O ATOM 256 CB SER A 16 8.000 -0.353 -1.685 1.00 0.00 C ATOM 257 OG SER A 16 8.674 0.887 -1.559 1.00 0.00 O ATOM 0 H SER A 16 9.230 -1.876 -0.583 1.00 0.00 H new ATOM 0 HA SER A 16 7.239 -0.141 0.390 1.00 0.00 H new ATOM 0 HB2 SER A 16 8.690 -1.086 -2.103 1.00 0.00 H new ATOM 0 HB3 SER A 16 7.185 -0.238 -2.399 1.00 0.00 H new ATOM 0 HG SER A 16 9.007 1.169 -2.436 1.00 0.00 H new ATOM 263 N ILE A 17 6.044 -2.855 -0.922 1.00 0.00 N ATOM 264 CA ILE A 17 4.950 -3.655 -1.520 1.00 0.00 C ATOM 265 C ILE A 17 4.707 -4.960 -0.710 1.00 0.00 C ATOM 266 O ILE A 17 4.003 -5.884 -1.125 1.00 0.00 O ATOM 267 CB ILE A 17 5.332 -3.790 -3.031 1.00 0.00 C ATOM 268 CG1 ILE A 17 4.584 -2.805 -3.971 1.00 0.00 C ATOM 269 CG2 ILE A 17 5.248 -5.189 -3.660 1.00 0.00 C ATOM 270 CD1 ILE A 17 4.331 -1.391 -3.436 1.00 0.00 C ATOM 0 H ILE A 17 6.878 -3.423 -0.776 1.00 0.00 H new ATOM 0 HA ILE A 17 3.963 -3.195 -1.471 1.00 0.00 H new ATOM 0 HB ILE A 17 6.389 -3.532 -2.965 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.154 -2.720 -4.896 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.622 -3.247 -4.229 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.540 -5.135 -4.709 1.00 0.00 H new ATOM 0 HG22 ILE A 17 5.919 -5.866 -3.131 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.226 -5.560 -3.587 1.00 0.00 H new ATOM 0 HD11 ILE A 17 3.802 -0.806 -4.189 1.00 0.00 H new ATOM 0 HD12 ILE A 17 3.727 -1.447 -2.530 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.283 -0.912 -3.208 1.00 0.00 H new ATOM 282 N ASP A 18 5.260 -5.010 0.509 1.00 0.00 N ATOM 283 CA ASP A 18 5.337 -6.185 1.412 1.00 0.00 C ATOM 284 C ASP A 18 4.264 -6.217 2.517 1.00 0.00 C ATOM 285 O ASP A 18 4.100 -7.233 3.191 1.00 0.00 O ATOM 286 CB ASP A 18 6.750 -6.227 2.031 1.00 0.00 C ATOM 287 CG ASP A 18 7.064 -7.505 2.834 1.00 0.00 C ATOM 288 OD1 ASP A 18 7.069 -8.609 2.233 1.00 0.00 O ATOM 289 OD2 ASP A 18 7.345 -7.401 4.054 1.00 0.00 O ATOM 0 H ASP A 18 5.694 -4.186 0.924 1.00 0.00 H new ATOM 0 HA ASP A 18 5.138 -7.069 0.806 1.00 0.00 H new ATOM 0 HB2 ASP A 18 7.485 -6.126 1.232 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.871 -5.364 2.686 1.00 0.00 H new ATOM 294 N GLU A 19 3.487 -5.131 2.662 1.00 0.00 N ATOM 295 CA GLU A 19 2.360 -5.022 3.625 1.00 0.00 C ATOM 296 C GLU A 19 1.090 -4.496 2.965 1.00 0.00 C ATOM 297 O GLU A 19 0.107 -5.225 2.884 1.00 0.00 O ATOM 298 CB GLU A 19 2.710 -4.132 4.830 1.00 0.00 C ATOM 299 CG GLU A 19 3.894 -4.642 5.653 1.00 0.00 C ATOM 300 CD GLU A 19 4.022 -3.822 6.929 1.00 0.00 C ATOM 301 OE1 GLU A 19 4.496 -2.669 6.861 1.00 0.00 O ATOM 302 OE2 GLU A 19 3.646 -4.336 8.006 1.00 0.00 O ATOM 0 H GLU A 19 3.620 -4.285 2.107 1.00 0.00 H new ATOM 0 HA GLU A 19 2.178 -6.036 3.980 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.934 -3.126 4.474 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.837 -4.054 5.478 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.753 -5.695 5.898 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.812 -4.571 5.070 1.00 0.00 H new ATOM 309 N PHE A 20 1.123 -3.270 2.430 1.00 0.00 N ATOM 310 CA PHE A 20 -0.032 -2.575 1.856 1.00 0.00 C ATOM 311 C PHE A 20 -0.692 -3.354 0.726 1.00 0.00 C ATOM 312 O PHE A 20 -1.892 -3.522 0.749 1.00 0.00 O ATOM 313 CB PHE A 20 0.417 -1.263 1.206 1.00 0.00 C ATOM 314 CG PHE A 20 0.995 -0.182 2.078 1.00 0.00 C ATOM 315 CD1 PHE A 20 2.384 -0.115 2.283 1.00 0.00 C ATOM 316 CD2 PHE A 20 0.158 0.840 2.548 1.00 0.00 C ATOM 317 CE1 PHE A 20 2.935 0.983 2.959 1.00 0.00 C ATOM 318 CE2 PHE A 20 0.706 1.931 3.239 1.00 0.00 C ATOM 319 CZ PHE A 20 2.099 2.012 3.433 1.00 0.00 C ATOM 0 H PHE A 20 1.980 -2.719 2.384 1.00 0.00 H new ATOM 0 HA PHE A 20 -0.726 -2.437 2.685 1.00 0.00 H new ATOM 0 HB2 PHE A 20 1.161 -1.508 0.448 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -0.443 -0.842 0.685 1.00 0.00 H new ATOM 0 HD1 PHE A 20 3.024 -0.906 1.921 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.907 0.787 2.378 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.002 1.039 3.116 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.061 2.708 3.622 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.525 2.862 3.945 1.00 0.00 H new ATOM 329 N MET A 21 0.063 -3.868 -0.239 1.00 0.00 N ATOM 330 CA MET A 21 -0.446 -4.484 -1.487 1.00 0.00 C ATOM 331 C MET A 21 -1.372 -5.662 -1.211 1.00 0.00 C ATOM 332 O MET A 21 -2.388 -5.837 -1.876 1.00 0.00 O ATOM 333 CB MET A 21 0.719 -5.048 -2.304 1.00 0.00 C ATOM 334 CG MET A 21 1.259 -4.048 -3.315 1.00 0.00 C ATOM 335 SD MET A 21 0.169 -3.536 -4.669 1.00 0.00 S ATOM 336 CE MET A 21 -0.805 -5.022 -5.084 1.00 0.00 C ATOM 0 H MET A 21 1.082 -3.874 -0.185 1.00 0.00 H new ATOM 0 HA MET A 21 -0.984 -3.698 -2.017 1.00 0.00 H new ATOM 0 HB2 MET A 21 1.521 -5.347 -1.629 1.00 0.00 H new ATOM 0 HB3 MET A 21 0.391 -5.947 -2.826 1.00 0.00 H new ATOM 0 HG2 MET A 21 1.560 -3.152 -2.771 1.00 0.00 H new ATOM 0 HG3 MET A 21 2.162 -4.472 -3.755 1.00 0.00 H new ATOM 0 HE1 MET A 21 -1.202 -4.926 -6.095 1.00 0.00 H new ATOM 0 HE2 MET A 21 -0.166 -5.903 -5.027 1.00 0.00 H new ATOM 0 HE3 MET A 21 -1.630 -5.125 -4.379 1.00 0.00 H new ATOM 346 N GLY A 22 -1.065 -6.420 -0.164 1.00 0.00 N ATOM 347 CA GLY A 22 -1.934 -7.454 0.373 1.00 0.00 C ATOM 348 C GLY A 22 -3.124 -6.864 1.111 1.00 0.00 C ATOM 349 O GLY A 22 -4.212 -7.412 1.033 1.00 0.00 O ATOM 0 H GLY A 22 -0.185 -6.329 0.344 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.288 -8.089 -0.439 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.365 -8.091 1.051 1.00 0.00 H new ATOM 353 N LYS A 23 -2.928 -5.778 1.861 1.00 0.00 N ATOM 354 CA LYS A 23 -3.923 -5.109 2.645 1.00 0.00 C ATOM 355 C LYS A 23 -5.026 -4.564 1.713 1.00 0.00 C ATOM 356 O LYS A 23 -6.209 -4.780 1.956 1.00 0.00 O ATOM 357 CB LYS A 23 -3.191 -4.174 3.612 1.00 0.00 C ATOM 358 CG LYS A 23 -3.429 -2.706 3.410 1.00 0.00 C ATOM 359 CD LYS A 23 -2.756 -1.880 4.511 1.00 0.00 C ATOM 360 CE LYS A 23 -3.428 -2.109 5.870 1.00 0.00 C ATOM 361 NZ LYS A 23 -2.733 -1.441 6.995 1.00 0.00 N ATOM 0 H LYS A 23 -2.014 -5.331 1.929 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.509 -5.744 3.310 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.484 -4.433 4.629 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -2.121 -4.364 3.530 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.043 -2.403 2.437 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.500 -2.506 3.405 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.701 -2.147 4.575 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -2.802 -0.822 4.254 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.456 -1.749 5.823 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.475 -3.180 6.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -3.413 -1.250 7.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.976 -2.059 7.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -2.322 -0.544 6.666 1.00 0.00 H new ATOM 375 N ILE A 24 -4.624 -3.967 0.580 1.00 0.00 N ATOM 376 CA ILE A 24 -5.512 -3.612 -0.539 1.00 0.00 C ATOM 377 C ILE A 24 -6.071 -4.773 -1.352 1.00 0.00 C ATOM 378 O ILE A 24 -7.277 -4.811 -1.598 1.00 0.00 O ATOM 379 CB ILE A 24 -4.856 -2.617 -1.496 1.00 0.00 C ATOM 380 CG1 ILE A 24 -3.484 -2.933 -2.048 1.00 0.00 C ATOM 381 CG2 ILE A 24 -4.990 -1.229 -0.875 1.00 0.00 C ATOM 382 CD1 ILE A 24 -2.916 -1.803 -2.844 1.00 0.00 C ATOM 0 H ILE A 24 -3.651 -3.712 0.412 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.363 -3.162 -0.028 1.00 0.00 H new ATOM 0 HB ILE A 24 -5.405 -2.686 -2.435 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.810 -3.169 -1.225 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -3.544 -3.822 -2.676 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.531 -0.490 -1.532 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -6.045 -0.990 -0.741 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.489 -1.214 0.093 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -1.930 -2.081 -3.218 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.574 -1.583 -3.685 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -2.829 -0.920 -2.211 1.00 0.00 H new ATOM 394 N ALA A 25 -5.252 -5.756 -1.702 1.00 0.00 N ATOM 395 CA ALA A 25 -5.734 -6.957 -2.387 1.00 0.00 C ATOM 396 C ALA A 25 -6.744 -7.743 -1.522 1.00 0.00 C ATOM 397 O ALA A 25 -7.573 -8.495 -2.039 1.00 0.00 O ATOM 398 CB ALA A 25 -4.565 -7.834 -2.835 1.00 0.00 C ATOM 0 H ALA A 25 -4.248 -5.749 -1.524 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.270 -6.638 -3.281 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.948 -8.720 -3.341 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.929 -7.272 -3.519 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.983 -8.137 -1.965 1.00 0.00 H new ATOM 404 N SER A 26 -6.685 -7.523 -0.202 1.00 0.00 N ATOM 405 CA SER A 26 -7.572 -8.068 0.815 1.00 0.00 C ATOM 406 C SER A 26 -8.576 -7.040 1.376 1.00 0.00 C ATOM 407 O SER A 26 -9.194 -7.276 2.418 1.00 0.00 O ATOM 408 CB SER A 26 -6.756 -8.711 1.946 1.00 0.00 C ATOM 409 OG SER A 26 -7.615 -9.259 2.928 1.00 0.00 O ATOM 0 H SER A 26 -5.968 -6.920 0.202 1.00 0.00 H new ATOM 0 HA SER A 26 -8.174 -8.832 0.322 1.00 0.00 H new ATOM 0 HB2 SER A 26 -6.113 -9.492 1.540 1.00 0.00 H new ATOM 0 HB3 SER A 26 -6.103 -7.966 2.400 1.00 0.00 H new ATOM 0 HG SER A 26 -8.303 -8.602 3.164 1.00 0.00 H new ATOM 415 N CYS A 27 -8.748 -5.864 0.766 1.00 0.00 N ATOM 416 CA CYS A 27 -9.484 -4.815 1.441 1.00 0.00 C ATOM 417 C CYS A 27 -11.004 -5.122 1.592 1.00 0.00 C ATOM 418 O CYS A 27 -11.695 -4.587 2.463 1.00 0.00 O ATOM 419 CB CYS A 27 -9.263 -3.512 0.710 1.00 0.00 C ATOM 420 SG CYS A 27 -9.997 -3.509 -0.912 1.00 0.00 S ATOM 0 H CYS A 27 -8.398 -5.627 -0.162 1.00 0.00 H new ATOM 0 HA CYS A 27 -9.101 -4.745 2.459 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -9.682 -2.694 1.297 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -8.193 -3.325 0.622 1.00 0.00 H new ATOM 0 HG CYS A 27 -9.157 -4.009 -1.769 1.00 0.00 H new ATOM 426 N GLN A 28 -11.513 -5.992 0.702 1.00 0.00 N ATOM 427 CA GLN A 28 -12.872 -6.577 0.589 1.00 0.00 C ATOM 428 C GLN A 28 -14.038 -5.584 0.426 1.00 0.00 C ATOM 429 O GLN A 28 -15.194 -5.986 0.258 1.00 0.00 O ATOM 430 CB GLN A 28 -13.156 -7.501 1.788 1.00 0.00 C ATOM 431 CG GLN A 28 -12.206 -8.694 1.910 1.00 0.00 C ATOM 432 CD GLN A 28 -12.146 -9.159 3.345 1.00 0.00 C ATOM 433 OE1 GLN A 28 -12.861 -10.065 3.760 1.00 0.00 O ATOM 434 NE2 GLN A 28 -11.323 -8.515 4.145 1.00 0.00 N ATOM 0 H GLN A 28 -10.916 -6.347 -0.045 1.00 0.00 H new ATOM 0 HA GLN A 28 -12.840 -7.128 -0.351 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -13.100 -6.913 2.704 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -14.178 -7.873 1.710 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -12.546 -9.507 1.269 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -11.210 -8.413 1.568 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -10.738 -7.765 3.778 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -11.271 -8.766 5.132 1.00 0.00 H new ATOM 443 N THR A 29 -13.748 -4.288 0.502 1.00 0.00 N ATOM 444 CA THR A 29 -14.719 -3.195 0.594 1.00 0.00 C ATOM 445 C THR A 29 -14.064 -1.969 0.017 1.00 0.00 C ATOM 446 O THR A 29 -12.884 -1.727 0.273 1.00 0.00 O ATOM 447 CB THR A 29 -15.069 -2.869 2.059 1.00 0.00 C ATOM 448 OG1 THR A 29 -13.911 -2.779 2.874 1.00 0.00 O ATOM 449 CG2 THR A 29 -16.009 -3.888 2.704 1.00 0.00 C ATOM 0 H THR A 29 -12.785 -3.953 0.501 1.00 0.00 H new ATOM 0 HA THR A 29 -15.628 -3.487 0.068 1.00 0.00 H new ATOM 0 HB THR A 29 -15.576 -1.906 2.005 1.00 0.00 H new ATOM 0 HG1 THR A 29 -13.328 -3.547 2.700 1.00 0.00 H new ATOM 0 HG21 THR A 29 -16.212 -3.595 3.734 1.00 0.00 H new ATOM 0 HG22 THR A 29 -16.945 -3.924 2.146 1.00 0.00 H new ATOM 0 HG23 THR A 29 -15.541 -4.873 2.692 1.00 0.00 H new ATOM 457 N LEU A 30 -14.795 -1.164 -0.757 1.00 0.00 N ATOM 458 CA LEU A 30 -14.174 0.059 -1.237 1.00 0.00 C ATOM 459 C LEU A 30 -13.984 1.017 -0.084 1.00 0.00 C ATOM 460 O LEU A 30 -13.031 1.762 0.009 1.00 0.00 O ATOM 461 CB LEU A 30 -15.032 0.781 -2.245 1.00 0.00 C ATOM 462 CG LEU A 30 -14.037 1.744 -2.913 1.00 0.00 C ATOM 463 CD1 LEU A 30 -13.621 1.324 -4.261 1.00 0.00 C ATOM 464 CD2 LEU A 30 -14.567 3.116 -2.920 1.00 0.00 C ATOM 0 H LEU A 30 -15.759 -1.326 -1.048 1.00 0.00 H new ATOM 0 HA LEU A 30 -13.231 -0.235 -1.697 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.475 0.093 -2.965 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -15.854 1.315 -1.768 1.00 0.00 H new ATOM 0 HG LEU A 30 -13.132 1.718 -2.306 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -12.919 2.052 -4.669 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -13.140 0.348 -4.206 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -14.496 1.261 -4.909 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -13.848 3.782 -3.397 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -15.506 3.140 -3.473 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -14.741 3.444 -1.895 1.00 0.00 H new ATOM 476 N GLU A 31 -14.947 0.975 0.796 1.00 0.00 N ATOM 477 CA GLU A 31 -15.069 1.797 1.955 1.00 0.00 C ATOM 478 C GLU A 31 -13.912 1.583 2.906 1.00 0.00 C ATOM 479 O GLU A 31 -13.414 2.534 3.496 1.00 0.00 O ATOM 480 CB GLU A 31 -16.407 1.357 2.538 1.00 0.00 C ATOM 481 CG GLU A 31 -16.974 2.407 3.431 1.00 0.00 C ATOM 482 CD GLU A 31 -18.265 1.953 4.087 1.00 0.00 C ATOM 483 OE1 GLU A 31 -19.343 2.183 3.493 1.00 0.00 O ATOM 484 OE2 GLU A 31 -18.203 1.384 5.197 1.00 0.00 O ATOM 0 H GLU A 31 -15.720 0.315 0.709 1.00 0.00 H new ATOM 0 HA GLU A 31 -15.040 2.866 1.744 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -17.107 1.145 1.730 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -16.277 0.431 3.098 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -16.245 2.662 4.201 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -17.159 3.313 2.854 1.00 0.00 H new ATOM 491 N GLY A 32 -13.441 0.339 2.969 1.00 0.00 N ATOM 492 CA GLY A 32 -12.149 0.003 3.529 1.00 0.00 C ATOM 493 C GLY A 32 -10.950 0.384 2.690 1.00 0.00 C ATOM 494 O GLY A 32 -10.036 0.973 3.224 1.00 0.00 O ATOM 0 H GLY A 32 -13.959 -0.470 2.626 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -12.058 0.488 4.501 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -12.119 -1.072 3.705 1.00 0.00 H new ATOM 498 N LEU A 33 -10.947 0.167 1.393 1.00 0.00 N ATOM 499 CA LEU A 33 -9.852 0.537 0.499 1.00 0.00 C ATOM 500 C LEU A 33 -9.537 2.031 0.519 1.00 0.00 C ATOM 501 O LEU A 33 -8.393 2.444 0.448 1.00 0.00 O ATOM 502 CB LEU A 33 -10.347 0.181 -0.901 1.00 0.00 C ATOM 503 CG LEU A 33 -9.402 0.548 -2.055 1.00 0.00 C ATOM 504 CD1 LEU A 33 -7.944 0.201 -1.856 1.00 0.00 C ATOM 505 CD2 LEU A 33 -9.848 -0.228 -3.257 1.00 0.00 C ATOM 0 H LEU A 33 -11.724 -0.284 0.910 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.942 0.021 0.805 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -10.536 -0.892 -0.938 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -11.303 0.679 -1.066 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.459 1.633 -2.144 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.374 0.506 -2.734 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.563 0.721 -0.977 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.842 -0.875 -1.713 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.200 0.005 -4.102 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.794 -1.295 -3.042 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.875 0.041 -3.503 1.00 0.00 H new ATOM 517 N GLU A 34 -10.583 2.809 0.618 1.00 0.00 N ATOM 518 CA GLU A 34 -10.660 4.247 0.867 1.00 0.00 C ATOM 519 C GLU A 34 -10.160 4.675 2.255 1.00 0.00 C ATOM 520 O GLU A 34 -9.600 5.761 2.420 1.00 0.00 O ATOM 521 CB GLU A 34 -12.124 4.626 0.763 1.00 0.00 C ATOM 522 CG GLU A 34 -12.579 4.815 -0.677 1.00 0.00 C ATOM 523 CD GLU A 34 -12.133 6.169 -1.229 1.00 0.00 C ATOM 524 OE1 GLU A 34 -10.948 6.330 -1.584 1.00 0.00 O ATOM 525 OE2 GLU A 34 -12.981 7.080 -1.346 1.00 0.00 O ATOM 0 H GLU A 34 -11.518 2.414 0.516 1.00 0.00 H new ATOM 0 HA GLU A 34 -10.018 4.745 0.141 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -12.730 3.852 1.233 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -12.297 5.548 1.319 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -12.172 4.016 -1.297 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -13.665 4.738 -0.730 1.00 0.00 H new ATOM 532 N GLU A 35 -10.348 3.826 3.265 1.00 0.00 N ATOM 533 CA GLU A 35 -9.724 3.967 4.613 1.00 0.00 C ATOM 534 C GLU A 35 -8.252 3.606 4.569 1.00 0.00 C ATOM 535 O GLU A 35 -7.449 4.314 5.161 1.00 0.00 O ATOM 536 CB GLU A 35 -10.379 3.093 5.700 1.00 0.00 C ATOM 537 CG GLU A 35 -11.822 3.491 6.000 1.00 0.00 C ATOM 538 CD GLU A 35 -11.894 4.402 7.221 1.00 0.00 C ATOM 539 OE1 GLU A 35 -12.029 3.876 8.348 1.00 0.00 O ATOM 540 OE2 GLU A 35 -11.826 5.643 7.050 1.00 0.00 O ATOM 0 H GLU A 35 -10.945 3.003 3.185 1.00 0.00 H new ATOM 0 HA GLU A 35 -9.872 5.014 4.877 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.354 2.050 5.383 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.792 3.162 6.616 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -12.250 4.000 5.136 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -12.421 2.597 6.173 1.00 0.00 H new ATOM 547 N LEU A 36 -7.892 2.571 3.803 1.00 0.00 N ATOM 548 CA LEU A 36 -6.522 2.213 3.428 1.00 0.00 C ATOM 549 C LEU A 36 -5.897 3.353 2.619 1.00 0.00 C ATOM 550 O LEU A 36 -4.743 3.692 2.845 1.00 0.00 O ATOM 551 CB LEU A 36 -6.378 0.907 2.620 1.00 0.00 C ATOM 552 CG LEU A 36 -7.018 -0.341 3.212 1.00 0.00 C ATOM 553 CD1 LEU A 36 -6.901 -1.524 2.264 1.00 0.00 C ATOM 554 CD2 LEU A 36 -6.304 -0.670 4.492 1.00 0.00 C ATOM 0 H LEU A 36 -8.581 1.930 3.409 1.00 0.00 H new ATOM 0 HA LEU A 36 -6.007 2.044 4.374 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.805 1.071 1.631 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.315 0.710 2.480 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.077 -0.148 3.386 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.367 -2.400 2.716 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.403 -1.289 1.325 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.849 -1.733 2.071 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.745 -1.562 4.936 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.250 -0.852 4.284 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.398 0.165 5.186 1.00 0.00 H new ATOM 566 N GLU A 37 -6.660 4.000 1.729 1.00 0.00 N ATOM 567 CA GLU A 37 -6.223 5.104 0.904 1.00 0.00 C ATOM 568 C GLU A 37 -5.855 6.287 1.751 1.00 0.00 C ATOM 569 O GLU A 37 -4.783 6.864 1.589 1.00 0.00 O ATOM 570 CB GLU A 37 -7.302 5.538 -0.078 1.00 0.00 C ATOM 571 CG GLU A 37 -6.755 6.383 -1.218 1.00 0.00 C ATOM 572 CD GLU A 37 -6.826 7.902 -0.993 1.00 0.00 C ATOM 573 OE1 GLU A 37 -7.477 8.387 -0.036 1.00 0.00 O ATOM 574 OE2 GLU A 37 -6.235 8.629 -1.822 1.00 0.00 O ATOM 0 H GLU A 37 -7.635 3.749 1.567 1.00 0.00 H new ATOM 0 HA GLU A 37 -5.354 4.752 0.348 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.790 4.654 -0.489 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.065 6.105 0.455 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -5.715 6.105 -1.390 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.305 6.139 -2.127 1.00 0.00 H new ATOM 581 N ALA A 38 -6.721 6.582 2.714 1.00 0.00 N ATOM 582 CA ALA A 38 -6.424 7.594 3.684 1.00 0.00 C ATOM 583 C ALA A 38 -5.227 7.170 4.557 1.00 0.00 C ATOM 584 O ALA A 38 -4.257 7.910 4.640 1.00 0.00 O ATOM 585 CB ALA A 38 -7.671 7.901 4.515 1.00 0.00 C ATOM 0 H ALA A 38 -7.627 6.129 2.832 1.00 0.00 H new ATOM 0 HA ALA A 38 -6.135 8.513 3.174 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.438 8.671 5.250 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.467 8.254 3.860 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -7.998 6.997 5.028 1.00 0.00 H new ATOM 591 N TYR A 39 -5.205 5.949 5.109 1.00 0.00 N ATOM 592 CA TYR A 39 -4.144 5.510 6.030 1.00 0.00 C ATOM 593 C TYR A 39 -2.755 5.487 5.346 1.00 0.00 C ATOM 594 O TYR A 39 -1.740 5.847 5.946 1.00 0.00 O ATOM 595 CB TYR A 39 -4.480 4.129 6.641 1.00 0.00 C ATOM 596 CG TYR A 39 -3.333 3.130 6.640 1.00 0.00 C ATOM 597 CD1 TYR A 39 -3.116 2.358 5.485 1.00 0.00 C ATOM 598 CD2 TYR A 39 -2.403 3.073 7.699 1.00 0.00 C ATOM 599 CE1 TYR A 39 -1.946 1.615 5.335 1.00 0.00 C ATOM 600 CE2 TYR A 39 -1.250 2.269 7.573 1.00 0.00 C ATOM 601 CZ TYR A 39 -1.009 1.557 6.380 1.00 0.00 C ATOM 602 OH TYR A 39 0.116 0.807 6.250 1.00 0.00 O ATOM 0 H TYR A 39 -5.917 5.240 4.932 1.00 0.00 H new ATOM 0 HA TYR A 39 -4.095 6.241 6.837 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -4.814 4.274 7.668 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -5.317 3.699 6.091 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.864 2.340 4.706 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -2.572 3.642 8.601 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -1.760 1.083 4.414 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -0.550 2.199 8.393 1.00 0.00 H new ATOM 0 HH TYR A 39 0.517 0.968 5.370 1.00 0.00 H new ATOM 612 N TYR A 40 -2.725 5.165 4.055 1.00 0.00 N ATOM 613 CA TYR A 40 -1.580 5.266 3.157 1.00 0.00 C ATOM 614 C TYR A 40 -1.114 6.721 3.101 1.00 0.00 C ATOM 615 O TYR A 40 0.004 7.029 3.515 1.00 0.00 O ATOM 616 CB TYR A 40 -2.083 4.766 1.795 1.00 0.00 C ATOM 617 CG TYR A 40 -1.306 5.038 0.529 1.00 0.00 C ATOM 618 CD1 TYR A 40 0.065 5.368 0.508 1.00 0.00 C ATOM 619 CD2 TYR A 40 -2.024 4.969 -0.679 1.00 0.00 C ATOM 620 CE1 TYR A 40 0.686 5.688 -0.713 1.00 0.00 C ATOM 621 CE2 TYR A 40 -1.383 5.240 -1.894 1.00 0.00 C ATOM 622 CZ TYR A 40 -0.039 5.623 -1.914 1.00 0.00 C ATOM 623 OH TYR A 40 0.523 5.956 -3.109 1.00 0.00 O ATOM 0 H TYR A 40 -3.552 4.804 3.580 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.724 4.676 3.483 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -2.195 3.685 1.874 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -3.081 5.181 1.652 1.00 0.00 H new ATOM 0 HD1 TYR A 40 0.635 5.375 1.425 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -3.072 4.707 -0.669 1.00 0.00 H new ATOM 0 HE1 TYR A 40 1.724 5.985 -0.727 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -1.930 5.153 -2.821 1.00 0.00 H new ATOM 0 HH TYR A 40 1.100 6.739 -2.992 1.00 0.00 H new ATOM 633 N LYS A 41 -1.992 7.657 2.740 1.00 0.00 N ATOM 634 CA LYS A 41 -1.635 9.077 2.680 1.00 0.00 C ATOM 635 C LYS A 41 -1.202 9.657 4.046 1.00 0.00 C ATOM 636 O LYS A 41 -0.277 10.462 4.105 1.00 0.00 O ATOM 637 CB LYS A 41 -2.814 9.860 2.111 1.00 0.00 C ATOM 638 CG LYS A 41 -3.202 9.319 0.723 1.00 0.00 C ATOM 639 CD LYS A 41 -2.822 10.230 -0.450 1.00 0.00 C ATOM 640 CE LYS A 41 -1.302 10.285 -0.522 1.00 0.00 C ATOM 641 NZ LYS A 41 -0.803 11.460 -1.273 1.00 0.00 N ATOM 0 H LYS A 41 -2.959 7.458 2.484 1.00 0.00 H new ATOM 0 HA LYS A 41 -0.766 9.172 2.029 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.666 9.788 2.787 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -2.555 10.916 2.037 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.726 8.349 0.580 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.279 9.152 0.701 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.235 9.845 -1.382 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.234 11.229 -0.307 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.896 10.307 0.489 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.932 9.375 -0.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.237 11.445 -1.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.165 11.429 -2.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.130 12.332 -0.810 1.00 0.00 H new ATOM 655 N LYS A 42 -1.832 9.215 5.141 1.00 0.00 N ATOM 656 CA LYS A 42 -1.609 9.577 6.534 1.00 0.00 C ATOM 657 C LYS A 42 -0.243 9.111 7.073 1.00 0.00 C ATOM 658 O LYS A 42 0.441 9.854 7.776 1.00 0.00 O ATOM 659 CB LYS A 42 -2.766 8.886 7.270 1.00 0.00 C ATOM 660 CG LYS A 42 -4.142 9.540 7.094 1.00 0.00 C ATOM 661 CD LYS A 42 -4.357 10.824 7.888 1.00 0.00 C ATOM 662 CE LYS A 42 -5.712 11.366 7.416 1.00 0.00 C ATOM 663 NZ LYS A 42 -5.913 12.793 7.760 1.00 0.00 N ATOM 0 H LYS A 42 -2.582 8.529 5.059 1.00 0.00 H new ATOM 0 HA LYS A 42 -1.587 10.658 6.671 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.827 7.853 6.927 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.531 8.855 8.334 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.291 9.757 6.036 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.908 8.820 7.383 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.363 10.628 8.960 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.559 11.542 7.700 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.791 11.243 6.336 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.510 10.774 7.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.844 13.105 7.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -5.867 12.911 8.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.169 13.366 7.312 1.00 0.00 H new ATOM 677 N ARG A 43 0.162 7.887 6.733 1.00 0.00 N ATOM 678 CA ARG A 43 1.467 7.326 7.061 1.00 0.00 C ATOM 679 C ARG A 43 2.634 7.959 6.295 1.00 0.00 C ATOM 680 O ARG A 43 3.684 8.190 6.866 1.00 0.00 O ATOM 681 CB ARG A 43 1.405 5.809 6.826 1.00 0.00 C ATOM 682 CG ARG A 43 2.783 5.138 6.894 1.00 0.00 C ATOM 683 CD ARG A 43 2.708 3.615 6.714 1.00 0.00 C ATOM 684 NE ARG A 43 2.443 2.914 7.984 1.00 0.00 N ATOM 685 CZ ARG A 43 2.700 1.643 8.240 1.00 0.00 C ATOM 686 NH1 ARG A 43 3.210 0.831 7.351 1.00 0.00 N ATOM 687 NH2 ARG A 43 2.456 1.157 9.424 1.00 0.00 N ATOM 0 H ARG A 43 -0.428 7.242 6.207 1.00 0.00 H new ATOM 0 HA ARG A 43 1.675 7.552 8.107 1.00 0.00 H new ATOM 0 HB2 ARG A 43 0.749 5.357 7.571 1.00 0.00 H new ATOM 0 HB3 ARG A 43 0.960 5.615 5.850 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.427 5.560 6.122 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.246 5.364 7.854 1.00 0.00 H new ATOM 0 HD2 ARG A 43 1.922 3.374 5.998 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.646 3.255 6.291 1.00 0.00 H new ATOM 0 HE ARG A 43 2.022 3.461 8.735 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.426 1.171 6.414 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.391 -0.143 7.594 1.00 0.00 H new ATOM 0 HH21 ARG A 43 2.067 1.757 10.151 1.00 0.00 H new ATOM 0 HH22 ARG A 43 2.654 0.176 9.623 1.00 0.00 H new ATOM 701 N VAL A 44 2.509 8.211 4.999 1.00 0.00 N ATOM 702 CA VAL A 44 3.623 8.451 4.082 1.00 0.00 C ATOM 703 C VAL A 44 4.579 9.568 4.466 1.00 0.00 C ATOM 704 O VAL A 44 5.791 9.458 4.313 1.00 0.00 O ATOM 705 CB VAL A 44 2.927 8.671 2.730 1.00 0.00 C ATOM 706 CG1 VAL A 44 3.568 9.620 1.743 1.00 0.00 C ATOM 707 CG2 VAL A 44 2.812 7.270 2.176 1.00 0.00 C ATOM 0 H VAL A 44 1.600 8.256 4.538 1.00 0.00 H new ATOM 0 HA VAL A 44 4.314 7.608 4.082 1.00 0.00 H new ATOM 0 HB VAL A 44 1.984 9.192 2.894 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.961 9.670 0.839 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.640 10.613 2.187 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.566 9.263 1.490 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.325 7.303 1.202 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.807 6.838 2.070 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.221 6.657 2.857 1.00 0.00 H new ATOM 802 N LYS A 50 8.865 6.401 -1.300 1.00 0.00 N ATOM 803 CA LYS A 50 9.637 6.772 -2.475 1.00 0.00 C ATOM 804 C LYS A 50 8.740 6.602 -3.712 1.00 0.00 C ATOM 805 O LYS A 50 7.569 6.231 -3.595 1.00 0.00 O ATOM 806 CB LYS A 50 10.903 5.890 -2.523 1.00 0.00 C ATOM 807 CG LYS A 50 10.669 4.434 -2.972 1.00 0.00 C ATOM 808 CD LYS A 50 11.120 3.395 -1.945 1.00 0.00 C ATOM 809 CE LYS A 50 10.357 3.666 -0.657 1.00 0.00 C ATOM 810 NZ LYS A 50 10.306 2.525 0.276 1.00 0.00 N ATOM 0 HA LYS A 50 9.963 7.812 -2.444 1.00 0.00 H new ATOM 0 HB2 LYS A 50 11.623 6.351 -3.199 1.00 0.00 H new ATOM 0 HB3 LYS A 50 11.358 5.880 -1.532 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.608 4.292 -3.177 1.00 0.00 H new ATOM 0 HG3 LYS A 50 11.201 4.262 -3.908 1.00 0.00 H new ATOM 0 HD2 LYS A 50 10.918 2.386 -2.306 1.00 0.00 H new ATOM 0 HD3 LYS A 50 12.195 3.464 -1.776 1.00 0.00 H new ATOM 0 HE2 LYS A 50 10.817 4.514 -0.149 1.00 0.00 H new ATOM 0 HE3 LYS A 50 9.338 3.959 -0.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.874 2.828 1.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.738 1.760 -0.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 11.271 2.180 0.456 1.00 0.00 H new ATOM 824 N ASP A 51 9.250 6.799 -4.923 1.00 0.00 N ATOM 825 CA ASP A 51 8.426 6.507 -6.111 1.00 0.00 C ATOM 826 C ASP A 51 7.915 5.062 -6.101 1.00 0.00 C ATOM 827 O ASP A 51 6.735 4.795 -6.270 1.00 0.00 O ATOM 828 CB ASP A 51 9.202 6.850 -7.387 1.00 0.00 C ATOM 829 CG ASP A 51 10.472 6.003 -7.634 1.00 0.00 C ATOM 830 OD1 ASP A 51 11.478 6.184 -6.905 1.00 0.00 O ATOM 831 OD2 ASP A 51 10.459 5.163 -8.566 1.00 0.00 O ATOM 0 H ASP A 51 10.190 7.145 -5.115 1.00 0.00 H new ATOM 0 HA ASP A 51 7.538 7.139 -6.086 1.00 0.00 H new ATOM 0 HB2 ASP A 51 8.535 6.733 -8.241 1.00 0.00 H new ATOM 0 HB3 ASP A 51 9.488 7.901 -7.348 1.00 0.00 H new ATOM 836 N THR A 52 8.788 4.127 -5.777 1.00 0.00 N ATOM 837 CA THR A 52 8.576 2.691 -5.935 1.00 0.00 C ATOM 838 C THR A 52 7.391 2.118 -5.168 1.00 0.00 C ATOM 839 O THR A 52 6.648 1.340 -5.764 1.00 0.00 O ATOM 840 CB THR A 52 9.816 2.010 -5.369 1.00 0.00 C ATOM 841 OG1 THR A 52 10.971 2.514 -5.996 1.00 0.00 O ATOM 842 CG2 THR A 52 9.845 0.490 -5.491 1.00 0.00 C ATOM 0 H THR A 52 9.701 4.350 -5.381 1.00 0.00 H new ATOM 0 HA THR A 52 8.381 2.518 -6.993 1.00 0.00 H new ATOM 0 HB THR A 52 9.785 2.238 -4.303 1.00 0.00 H new ATOM 0 HG1 THR A 52 11.761 2.274 -5.468 1.00 0.00 H new ATOM 0 HG21 THR A 52 10.769 0.108 -5.058 1.00 0.00 H new ATOM 0 HG22 THR A 52 8.993 0.066 -4.960 1.00 0.00 H new ATOM 0 HG23 THR A 52 9.794 0.208 -6.543 1.00 0.00 H new ATOM 850 N ASP A 53 7.173 2.458 -3.884 1.00 0.00 N ATOM 851 CA ASP A 53 5.921 2.058 -3.209 1.00 0.00 C ATOM 852 C ASP A 53 4.761 2.757 -3.870 1.00 0.00 C ATOM 853 O ASP A 53 3.776 2.113 -4.236 1.00 0.00 O ATOM 854 CB ASP A 53 5.820 2.318 -1.673 1.00 0.00 C ATOM 855 CG ASP A 53 6.892 3.173 -0.995 1.00 0.00 C ATOM 856 OD1 ASP A 53 7.505 4.011 -1.692 1.00 0.00 O ATOM 857 OD2 ASP A 53 7.152 2.970 0.212 1.00 0.00 O ATOM 0 H ASP A 53 7.823 2.992 -3.307 1.00 0.00 H new ATOM 0 HA ASP A 53 5.905 0.973 -3.315 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.855 2.787 -1.481 1.00 0.00 H new ATOM 0 HB3 ASP A 53 5.808 1.349 -1.175 1.00 0.00 H new ATOM 862 N ASP A 54 4.910 4.069 -4.051 1.00 0.00 N ATOM 863 CA ASP A 54 3.758 4.922 -4.291 1.00 0.00 C ATOM 864 C ASP A 54 3.042 4.540 -5.578 1.00 0.00 C ATOM 865 O ASP A 54 1.835 4.347 -5.572 1.00 0.00 O ATOM 866 CB ASP A 54 4.305 6.356 -4.454 1.00 0.00 C ATOM 867 CG ASP A 54 3.207 7.439 -4.363 1.00 0.00 C ATOM 868 OD1 ASP A 54 2.607 7.613 -3.273 1.00 0.00 O ATOM 869 OD2 ASP A 54 2.930 8.102 -5.394 1.00 0.00 O ATOM 0 H ASP A 54 5.807 4.555 -4.036 1.00 0.00 H new ATOM 0 HA ASP A 54 3.050 4.827 -3.468 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.055 6.542 -3.685 1.00 0.00 H new ATOM 0 HB3 ASP A 54 4.809 6.439 -5.417 1.00 0.00 H new ATOM 874 N ILE A 55 3.782 4.336 -6.663 1.00 0.00 N ATOM 875 CA ILE A 55 3.184 3.922 -7.946 1.00 0.00 C ATOM 876 C ILE A 55 2.628 2.507 -7.926 1.00 0.00 C ATOM 877 O ILE A 55 1.509 2.260 -8.367 1.00 0.00 O ATOM 878 CB ILE A 55 4.126 4.037 -9.177 1.00 0.00 C ATOM 879 CG1 ILE A 55 5.352 4.951 -8.989 1.00 0.00 C ATOM 880 CG2 ILE A 55 3.301 4.476 -10.395 1.00 0.00 C ATOM 881 CD1 ILE A 55 6.603 4.060 -9.074 1.00 0.00 C ATOM 0 H ILE A 55 4.796 4.448 -6.689 1.00 0.00 H new ATOM 0 HA ILE A 55 2.375 4.643 -8.060 1.00 0.00 H new ATOM 0 HB ILE A 55 4.554 3.046 -9.326 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.377 5.723 -9.758 1.00 0.00 H new ATOM 0 HG13 ILE A 55 5.308 5.461 -8.026 1.00 0.00 H new ATOM 0 HG21 ILE A 55 3.953 4.560 -11.265 1.00 0.00 H new ATOM 0 HG22 ILE A 55 2.524 3.738 -10.593 1.00 0.00 H new ATOM 0 HG23 ILE A 55 2.840 5.443 -10.193 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.495 4.673 -8.945 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.565 3.304 -8.290 1.00 0.00 H new ATOM 0 HD13 ILE A 55 6.636 3.571 -10.048 1.00 0.00 H new ATOM 893 N SER A 56 3.424 1.582 -7.391 1.00 0.00 N ATOM 894 CA SER A 56 3.096 0.159 -7.483 1.00 0.00 C ATOM 895 C SER A 56 1.815 -0.167 -6.722 1.00 0.00 C ATOM 896 O SER A 56 0.898 -0.822 -7.217 1.00 0.00 O ATOM 897 CB SER A 56 4.278 -0.646 -6.941 1.00 0.00 C ATOM 898 OG SER A 56 5.076 -1.158 -7.994 1.00 0.00 O ATOM 0 H SER A 56 4.291 1.788 -6.895 1.00 0.00 H new ATOM 0 HA SER A 56 2.917 -0.105 -8.525 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.886 -0.013 -6.295 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.910 -1.468 -6.327 1.00 0.00 H new ATOM 0 HG SER A 56 5.825 -1.667 -7.619 1.00 0.00 H new ATOM 904 N VAL A 57 1.804 0.317 -5.480 1.00 0.00 N ATOM 905 CA VAL A 57 0.687 0.245 -4.555 1.00 0.00 C ATOM 906 C VAL A 57 -0.480 1.098 -5.003 1.00 0.00 C ATOM 907 O VAL A 57 -1.585 0.593 -5.072 1.00 0.00 O ATOM 908 CB VAL A 57 1.145 0.562 -3.131 1.00 0.00 C ATOM 909 CG1 VAL A 57 0.915 1.975 -2.660 1.00 0.00 C ATOM 910 CG2 VAL A 57 0.446 -0.292 -2.097 1.00 0.00 C ATOM 0 H VAL A 57 2.614 0.790 -5.079 1.00 0.00 H new ATOM 0 HA VAL A 57 0.315 -0.780 -4.553 1.00 0.00 H new ATOM 0 HB VAL A 57 2.215 0.368 -3.207 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.279 2.082 -1.638 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.451 2.667 -3.310 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.151 2.200 -2.691 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.807 -0.028 -1.103 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.629 -0.121 -2.150 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.656 -1.344 -2.291 1.00 0.00 H new ATOM 920 N ARG A 58 -0.262 2.343 -5.430 1.00 0.00 N ATOM 921 CA ARG A 58 -1.383 3.190 -5.862 1.00 0.00 C ATOM 922 C ARG A 58 -2.077 2.590 -7.046 1.00 0.00 C ATOM 923 O ARG A 58 -3.294 2.542 -7.085 1.00 0.00 O ATOM 924 CB ARG A 58 -0.981 4.575 -6.327 1.00 0.00 C ATOM 925 CG ARG A 58 -2.155 5.507 -6.667 1.00 0.00 C ATOM 926 CD ARG A 58 -3.030 5.810 -5.447 1.00 0.00 C ATOM 927 NE ARG A 58 -4.087 6.787 -5.763 1.00 0.00 N ATOM 928 CZ ARG A 58 -4.756 7.506 -4.874 1.00 0.00 C ATOM 929 NH1 ARG A 58 -4.497 7.454 -3.596 1.00 0.00 N ATOM 930 NH2 ARG A 58 -5.721 8.303 -5.252 1.00 0.00 N ATOM 0 H ARG A 58 0.657 2.783 -5.487 1.00 0.00 H new ATOM 0 HA ARG A 58 -2.008 3.260 -4.972 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -0.377 5.043 -5.549 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -0.346 4.477 -7.208 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -1.768 6.441 -7.075 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -2.766 5.049 -7.445 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.484 4.887 -5.086 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.408 6.196 -4.640 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.323 6.921 -6.746 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -3.756 6.844 -3.250 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -5.035 8.024 -2.943 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -5.965 8.376 -6.240 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -6.230 8.852 -4.559 1.00 0.00 H new ATOM 944 N ASP A 59 -1.308 2.103 -8.000 1.00 0.00 N ATOM 945 CA ASP A 59 -1.923 1.648 -9.244 1.00 0.00 C ATOM 946 C ASP A 59 -2.805 0.412 -9.025 1.00 0.00 C ATOM 947 O ASP A 59 -3.704 0.124 -9.805 1.00 0.00 O ATOM 948 CB ASP A 59 -0.831 1.337 -10.263 1.00 0.00 C ATOM 949 CG ASP A 59 -1.365 0.997 -11.675 1.00 0.00 C ATOM 950 OD1 ASP A 59 -1.897 1.909 -12.356 1.00 0.00 O ATOM 951 OD2 ASP A 59 -1.219 -0.174 -12.112 1.00 0.00 O ATOM 0 H ASP A 59 -0.293 2.011 -7.950 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.565 2.446 -9.617 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.162 2.194 -10.336 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -0.237 0.499 -9.899 1.00 0.00 H new ATOM 956 N ALA A 60 -2.437 -0.373 -8.013 1.00 0.00 N ATOM 957 CA ALA A 60 -3.157 -1.460 -7.371 1.00 0.00 C ATOM 958 C ALA A 60 -4.344 -1.051 -6.507 1.00 0.00 C ATOM 959 O ALA A 60 -5.390 -1.674 -6.534 1.00 0.00 O ATOM 960 CB ALA A 60 -2.144 -2.269 -6.580 1.00 0.00 C ATOM 0 H ALA A 60 -1.523 -0.243 -7.578 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.625 -2.050 -8.159 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.649 -3.097 -6.082 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.384 -2.661 -7.256 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.671 -1.631 -5.834 1.00 0.00 H new ATOM 966 N LEU A 61 -4.159 -0.036 -5.669 1.00 0.00 N ATOM 967 CA LEU A 61 -5.100 0.527 -4.728 1.00 0.00 C ATOM 968 C LEU A 61 -6.205 1.277 -5.461 1.00 0.00 C ATOM 969 O LEU A 61 -7.360 0.888 -5.383 1.00 0.00 O ATOM 970 CB LEU A 61 -4.208 1.454 -3.893 1.00 0.00 C ATOM 971 CG LEU A 61 -4.827 2.025 -2.639 1.00 0.00 C ATOM 972 CD1 LEU A 61 -3.824 1.908 -1.496 1.00 0.00 C ATOM 973 CD2 LEU A 61 -5.307 3.460 -2.804 1.00 0.00 C ATOM 0 H LEU A 61 -3.264 0.452 -5.634 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.627 -0.207 -4.118 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.310 0.903 -3.612 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.889 2.283 -4.525 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.722 1.444 -2.414 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.261 2.318 -0.585 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.573 0.859 -1.338 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.920 2.464 -1.747 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.741 3.809 -1.867 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.464 4.097 -3.073 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.060 3.504 -3.591 1.00 0.00 H new ATOM 985 N ALA A 62 -5.821 2.188 -6.358 1.00 0.00 N ATOM 986 CA ALA A 62 -6.680 2.683 -7.422 1.00 0.00 C ATOM 987 C ALA A 62 -7.163 1.593 -8.396 1.00 0.00 C ATOM 988 O ALA A 62 -8.263 1.664 -8.951 1.00 0.00 O ATOM 989 CB ALA A 62 -6.015 3.859 -8.144 1.00 0.00 C ATOM 0 H ALA A 62 -4.890 2.605 -6.361 1.00 0.00 H new ATOM 0 HA ALA A 62 -7.591 3.043 -6.945 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.671 4.217 -8.937 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.831 4.665 -7.434 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.069 3.533 -8.576 1.00 0.00 H new ATOM 995 N GLY A 63 -6.329 0.572 -8.574 1.00 0.00 N ATOM 996 CA GLY A 63 -6.544 -0.651 -9.329 1.00 0.00 C ATOM 997 C GLY A 63 -7.821 -1.316 -8.871 1.00 0.00 C ATOM 998 O GLY A 63 -8.747 -1.523 -9.643 1.00 0.00 O ATOM 0 H GLY A 63 -5.400 0.585 -8.152 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.602 -0.427 -10.394 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -5.701 -1.328 -9.191 1.00 0.00 H new ATOM 1002 N LYS A 64 -7.855 -1.586 -7.563 1.00 0.00 N ATOM 1003 CA LYS A 64 -8.935 -2.153 -6.796 1.00 0.00 C ATOM 1004 C LYS A 64 -10.105 -1.200 -6.652 1.00 0.00 C ATOM 1005 O LYS A 64 -11.245 -1.623 -6.638 1.00 0.00 O ATOM 1006 CB LYS A 64 -8.393 -2.763 -5.496 1.00 0.00 C ATOM 1007 CG LYS A 64 -9.318 -3.854 -4.939 1.00 0.00 C ATOM 1008 CD LYS A 64 -8.645 -5.235 -4.800 1.00 0.00 C ATOM 1009 CE LYS A 64 -8.365 -5.865 -6.174 1.00 0.00 C ATOM 1010 NZ LYS A 64 -7.804 -7.231 -6.072 1.00 0.00 N ATOM 0 H LYS A 64 -7.046 -1.390 -6.973 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.376 -2.986 -7.343 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -7.405 -3.185 -5.679 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -8.271 -1.977 -4.751 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -9.686 -3.540 -3.962 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -10.186 -3.948 -5.591 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -7.711 -5.132 -4.248 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -9.287 -5.897 -4.219 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -9.290 -5.899 -6.749 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.670 -5.231 -6.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -7.634 -7.609 -7.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -6.907 -7.199 -5.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -8.477 -7.846 -5.571 1.00 0.00 H new ATOM 1024 N ARG A 65 -9.853 0.095 -6.552 1.00 0.00 N ATOM 1025 CA ARG A 65 -10.871 1.101 -6.297 1.00 0.00 C ATOM 1026 C ARG A 65 -11.956 1.002 -7.348 1.00 0.00 C ATOM 1027 O ARG A 65 -13.096 0.749 -7.009 1.00 0.00 O ATOM 1028 CB ARG A 65 -10.215 2.475 -6.247 1.00 0.00 C ATOM 1029 CG ARG A 65 -10.909 3.521 -5.378 1.00 0.00 C ATOM 1030 CD ARG A 65 -9.757 4.298 -4.733 1.00 0.00 C ATOM 1031 NE ARG A 65 -10.207 5.569 -4.137 1.00 0.00 N ATOM 1032 CZ ARG A 65 -10.405 6.727 -4.736 1.00 0.00 C ATOM 1033 NH1 ARG A 65 -10.218 6.913 -6.017 1.00 0.00 N ATOM 1034 NH2 ARG A 65 -10.811 7.731 -4.025 1.00 0.00 N ATOM 0 H ARG A 65 -8.915 0.484 -6.648 1.00 0.00 H new ATOM 0 HA ARG A 65 -11.349 0.934 -5.332 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -9.193 2.354 -5.888 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -10.151 2.862 -7.264 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -11.546 4.175 -5.974 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -11.546 3.055 -4.626 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -9.292 3.682 -3.963 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -8.993 4.501 -5.483 1.00 0.00 H new ATOM 0 HE ARG A 65 -10.388 5.550 -3.133 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -9.904 6.140 -6.604 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -10.387 7.831 -6.429 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -10.971 7.616 -3.024 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -10.971 8.637 -4.466 1.00 0.00 H new ATOM 1048 N ALA A 66 -11.567 0.950 -8.616 1.00 0.00 N ATOM 1049 CA ALA A 66 -12.522 0.798 -9.722 1.00 0.00 C ATOM 1050 C ALA A 66 -13.354 -0.483 -9.621 1.00 0.00 C ATOM 1051 O ALA A 66 -14.526 -0.501 -9.997 1.00 0.00 O ATOM 1052 CB ALA A 66 -11.799 0.778 -11.055 1.00 0.00 C ATOM 0 H ALA A 66 -10.593 1.011 -8.911 1.00 0.00 H new ATOM 0 HA ALA A 66 -13.192 1.655 -9.653 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -12.524 0.665 -11.861 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -11.253 1.712 -11.187 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -11.099 -0.057 -11.077 1.00 0.00 H new ATOM 1058 N GLU A 67 -12.739 -1.565 -9.141 1.00 0.00 N ATOM 1059 CA GLU A 67 -13.381 -2.872 -8.976 1.00 0.00 C ATOM 1060 C GLU A 67 -14.440 -2.794 -7.901 1.00 0.00 C ATOM 1061 O GLU A 67 -15.519 -3.363 -7.973 1.00 0.00 O ATOM 1062 CB GLU A 67 -12.358 -3.882 -8.462 1.00 0.00 C ATOM 1063 CG GLU A 67 -11.076 -3.917 -9.258 1.00 0.00 C ATOM 1064 CD GLU A 67 -11.251 -4.596 -10.613 1.00 0.00 C ATOM 1065 OE1 GLU A 67 -11.234 -5.848 -10.647 1.00 0.00 O ATOM 1066 OE2 GLU A 67 -11.387 -3.892 -11.634 1.00 0.00 O ATOM 0 H GLU A 67 -11.761 -1.558 -8.850 1.00 0.00 H new ATOM 0 HA GLU A 67 -13.800 -3.162 -9.939 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -12.123 -3.649 -7.424 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.807 -4.875 -8.472 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.717 -2.899 -9.409 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.311 -4.443 -8.687 1.00 0.00 H new ATOM 1073 N LEU A 68 -13.998 -2.193 -6.807 1.00 0.00 N ATOM 1074 CA LEU A 68 -14.724 -2.003 -5.577 1.00 0.00 C ATOM 1075 C LEU A 68 -15.907 -1.050 -5.665 1.00 0.00 C ATOM 1076 O LEU A 68 -16.880 -1.146 -4.933 1.00 0.00 O ATOM 1077 CB LEU A 68 -13.715 -1.737 -4.511 1.00 0.00 C ATOM 1078 CG LEU A 68 -13.205 -3.066 -3.988 1.00 0.00 C ATOM 1079 CD1 LEU A 68 -12.161 -2.686 -3.038 1.00 0.00 C ATOM 1080 CD2 LEU A 68 -14.215 -3.771 -3.090 1.00 0.00 C ATOM 0 H LEU A 68 -13.057 -1.801 -6.760 1.00 0.00 H new ATOM 0 HA LEU A 68 -15.267 -2.910 -5.312 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -12.891 -1.145 -4.909 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -14.162 -1.158 -3.703 1.00 0.00 H new ATOM 0 HG LEU A 68 -12.936 -3.702 -4.832 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -11.724 -3.583 -2.599 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -11.386 -2.121 -3.556 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -12.593 -2.070 -2.249 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -13.797 -4.717 -2.745 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -14.442 -3.139 -2.231 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -15.130 -3.962 -3.651 1.00 0.00 H new ATOM 1092 N GLU A 69 -15.745 -0.062 -6.533 1.00 0.00 N ATOM 1093 CA GLU A 69 -16.672 0.943 -6.983 1.00 0.00 C ATOM 1094 C GLU A 69 -17.701 0.378 -7.967 1.00 0.00 C ATOM 1095 O GLU A 69 -18.867 0.775 -7.989 1.00 0.00 O ATOM 1096 CB GLU A 69 -15.786 1.962 -7.680 1.00 0.00 C ATOM 1097 CG GLU A 69 -15.392 3.200 -6.875 1.00 0.00 C ATOM 1098 CD GLU A 69 -14.857 4.274 -7.803 1.00 0.00 C ATOM 1099 OE1 GLU A 69 -15.672 5.078 -8.318 1.00 0.00 O ATOM 1100 OE2 GLU A 69 -13.622 4.325 -8.009 1.00 0.00 O ATOM 0 H GLU A 69 -14.842 0.060 -6.991 1.00 0.00 H new ATOM 0 HA GLU A 69 -17.252 1.357 -6.159 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -14.873 1.458 -7.996 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -16.296 2.293 -8.584 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -16.256 3.578 -6.328 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.636 2.937 -6.135 1.00 0.00 H new ATOM 1107 N ASP A 70 -17.251 -0.608 -8.744 1.00 0.00 N ATOM 1108 CA ASP A 70 -18.103 -1.599 -9.425 1.00 0.00 C ATOM 1109 C ASP A 70 -18.725 -2.580 -8.408 1.00 0.00 C ATOM 1110 O ASP A 70 -19.720 -3.236 -8.723 1.00 0.00 O ATOM 1111 CB ASP A 70 -17.299 -2.352 -10.514 1.00 0.00 C ATOM 1112 CG ASP A 70 -17.364 -1.729 -11.929 1.00 0.00 C ATOM 1113 OD1 ASP A 70 -17.577 -0.502 -12.075 1.00 0.00 O ATOM 1114 OD2 ASP A 70 -17.207 -2.487 -12.918 1.00 0.00 O ATOM 0 H ASP A 70 -16.257 -0.748 -8.926 1.00 0.00 H new ATOM 0 HA ASP A 70 -18.920 -1.071 -9.917 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -16.255 -2.401 -10.204 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -17.664 -3.378 -10.569 1.00 0.00 H new ATOM 1119 N SER A 71 -18.187 -2.603 -7.187 1.00 0.00 N ATOM 1120 CA SER A 71 -18.746 -3.355 -6.042 1.00 0.00 C ATOM 1121 C SER A 71 -19.391 -2.470 -4.949 1.00 0.00 C ATOM 1122 O SER A 71 -19.461 -2.868 -3.779 1.00 0.00 O ATOM 1123 CB SER A 71 -17.673 -4.295 -5.461 1.00 0.00 C ATOM 1124 OG SER A 71 -18.241 -5.288 -4.623 1.00 0.00 O ATOM 0 H SER A 71 -17.335 -2.093 -6.953 1.00 0.00 H new ATOM 0 HA SER A 71 -19.574 -3.947 -6.432 1.00 0.00 H new ATOM 0 HB2 SER A 71 -17.130 -4.774 -6.276 1.00 0.00 H new ATOM 0 HB3 SER A 71 -16.948 -3.712 -4.894 1.00 0.00 H new ATOM 0 HG SER A 71 -18.944 -4.887 -4.071 1.00 0.00 H new ATOM 1130 N ASP A 72 -19.839 -1.255 -5.311 1.00 0.00 N ATOM 1131 CA ASP A 72 -20.303 -0.195 -4.387 1.00 0.00 C ATOM 1132 C ASP A 72 -21.491 -0.602 -3.478 1.00 0.00 C ATOM 1133 O ASP A 72 -21.685 -0.015 -2.415 1.00 0.00 O ATOM 1134 CB ASP A 72 -20.666 1.060 -5.206 1.00 0.00 C ATOM 1135 CG ASP A 72 -21.217 2.237 -4.376 1.00 0.00 C ATOM 1136 OD1 ASP A 72 -20.423 2.916 -3.676 1.00 0.00 O ATOM 1137 OD2 ASP A 72 -22.445 2.507 -4.440 1.00 0.00 O ATOM 0 H ASP A 72 -19.891 -0.970 -6.289 1.00 0.00 H new ATOM 0 HA ASP A 72 -19.477 0.002 -3.704 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -19.778 1.396 -5.742 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -21.407 0.785 -5.957 1.00 0.00 H new