USER MOD reduce.3.24.130724 H: found=0, std=0, add=415, rem=0, adj=14 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+ -122:sc= 0.454 (180deg=0) USER MOD Set 1.2: A 39 TYR OH : rot -123:sc= 0.918 USER MOD Set 2.1: A 16 SER OG : rot 166:sc= -0.18 USER MOD Set 2.2: A 50 LYS NZ :NH3+ 167:sc= 0.0767 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 MET CE :methyl -160:sc= -0.232 (180deg=-1.14) USER MOD Single : A 26 SER OG : rot -20:sc= 1.13 USER MOD Single : A 27 CYS SG : rot 100:sc= -4.73! USER MOD Single : A 28 GLN : amide:sc= 0.437 X(o=0.44,f=0) USER MOD Single : A 29 THR OG1 : rot -48:sc= 0.273 USER MOD Single : A 40 TYR OH : rot -49:sc= 1.28 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 -175:sc= 0.471 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 171:sc= 0.142 (180deg=0.121) USER MOD Single : A 71 SER OG : rot -50:sc= 0.224 USER MOD ----------------------------------------------------------------- ATOM 206 N TYR A 13 13.009 -1.182 -1.872 1.00 0.00 N ATOM 207 CA TYR A 13 12.283 -1.262 -3.129 1.00 0.00 C ATOM 208 C TYR A 13 11.460 -2.570 -3.224 1.00 0.00 C ATOM 209 O TYR A 13 10.458 -2.626 -3.940 1.00 0.00 O ATOM 210 CB TYR A 13 13.316 -1.040 -4.249 1.00 0.00 C ATOM 211 CG TYR A 13 13.646 0.428 -4.507 1.00 0.00 C ATOM 212 CD1 TYR A 13 13.535 1.390 -3.478 1.00 0.00 C ATOM 213 CD2 TYR A 13 14.073 0.857 -5.775 1.00 0.00 C ATOM 214 CE1 TYR A 13 13.810 2.740 -3.690 1.00 0.00 C ATOM 215 CE2 TYR A 13 14.371 2.218 -5.992 1.00 0.00 C ATOM 216 CZ TYR A 13 14.243 3.165 -4.958 1.00 0.00 C ATOM 217 OH TYR A 13 14.529 4.476 -5.185 1.00 0.00 O ATOM 0 HA TYR A 13 11.519 -0.490 -3.220 1.00 0.00 H new ATOM 0 HB2 TYR A 13 14.234 -1.569 -3.992 1.00 0.00 H new ATOM 0 HB3 TYR A 13 12.939 -1.484 -5.170 1.00 0.00 H new ATOM 0 HD1 TYR A 13 13.227 1.068 -2.494 1.00 0.00 H new ATOM 0 HD2 TYR A 13 14.173 0.146 -6.582 1.00 0.00 H new ATOM 0 HE1 TYR A 13 13.691 3.453 -2.887 1.00 0.00 H new ATOM 0 HE2 TYR A 13 14.703 2.540 -6.968 1.00 0.00 H new ATOM 0 HH TYR A 13 14.815 4.592 -6.115 1.00 0.00 H new ATOM 227 N GLU A 14 11.815 -3.577 -2.406 1.00 0.00 N ATOM 228 CA GLU A 14 10.923 -4.684 -1.964 1.00 0.00 C ATOM 229 C GLU A 14 9.934 -4.266 -0.871 1.00 0.00 C ATOM 230 O GLU A 14 8.751 -4.613 -0.924 1.00 0.00 O ATOM 231 CB GLU A 14 11.711 -5.862 -1.389 1.00 0.00 C ATOM 232 CG GLU A 14 12.722 -6.516 -2.312 1.00 0.00 C ATOM 233 CD GLU A 14 12.057 -7.288 -3.440 1.00 0.00 C ATOM 234 OE1 GLU A 14 11.533 -8.399 -3.183 1.00 0.00 O ATOM 235 OE2 GLU A 14 12.072 -6.796 -4.590 1.00 0.00 O ATOM 0 H GLU A 14 12.756 -3.653 -2.019 1.00 0.00 H new ATOM 0 HA GLU A 14 10.387 -4.966 -2.870 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.235 -5.519 -0.497 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.000 -6.623 -1.068 1.00 0.00 H new ATOM 0 HG2 GLU A 14 13.374 -5.751 -2.733 1.00 0.00 H new ATOM 0 HG3 GLU A 14 13.354 -7.192 -1.735 1.00 0.00 H new ATOM 242 N ALA A 15 10.425 -3.506 0.114 1.00 0.00 N ATOM 243 CA ALA A 15 9.727 -3.110 1.352 1.00 0.00 C ATOM 244 C ALA A 15 8.360 -2.450 1.114 1.00 0.00 C ATOM 245 O ALA A 15 7.391 -2.596 1.866 1.00 0.00 O ATOM 246 CB ALA A 15 10.563 -2.029 2.048 1.00 0.00 C ATOM 0 H ALA A 15 11.371 -3.128 0.071 1.00 0.00 H new ATOM 0 HA ALA A 15 9.591 -4.028 1.924 1.00 0.00 H new ATOM 0 HB1 ALA A 15 10.066 -1.720 2.967 1.00 0.00 H new ATOM 0 HB2 ALA A 15 11.549 -2.428 2.285 1.00 0.00 H new ATOM 0 HB3 ALA A 15 10.669 -1.169 1.387 1.00 0.00 H new ATOM 252 N SER A 16 8.330 -1.711 0.015 1.00 0.00 N ATOM 253 CA SER A 16 7.298 -0.803 -0.436 1.00 0.00 C ATOM 254 C SER A 16 5.924 -1.486 -0.629 1.00 0.00 C ATOM 255 O SER A 16 4.859 -0.902 -0.400 1.00 0.00 O ATOM 256 CB SER A 16 7.857 -0.304 -1.783 1.00 0.00 C ATOM 257 OG SER A 16 8.634 0.872 -1.672 1.00 0.00 O ATOM 0 H SER A 16 9.107 -1.739 -0.645 1.00 0.00 H new ATOM 0 HA SER A 16 7.100 -0.015 0.290 1.00 0.00 H new ATOM 0 HB2 SER A 16 8.466 -1.091 -2.228 1.00 0.00 H new ATOM 0 HB3 SER A 16 7.027 -0.118 -2.465 1.00 0.00 H new ATOM 0 HG SER A 16 9.138 1.011 -2.501 1.00 0.00 H new ATOM 263 N ILE A 17 5.947 -2.766 -1.004 1.00 0.00 N ATOM 264 CA ILE A 17 4.853 -3.551 -1.607 1.00 0.00 C ATOM 265 C ILE A 17 4.633 -4.877 -0.816 1.00 0.00 C ATOM 266 O ILE A 17 3.936 -5.799 -1.247 1.00 0.00 O ATOM 267 CB ILE A 17 5.213 -3.640 -3.135 1.00 0.00 C ATOM 268 CG1 ILE A 17 4.454 -2.630 -4.041 1.00 0.00 C ATOM 269 CG2 ILE A 17 5.152 -5.026 -3.801 1.00 0.00 C ATOM 270 CD1 ILE A 17 4.147 -1.250 -3.450 1.00 0.00 C ATOM 0 H ILE A 17 6.790 -3.328 -0.888 1.00 0.00 H new ATOM 0 HA ILE A 17 3.862 -3.103 -1.540 1.00 0.00 H new ATOM 0 HB ILE A 17 6.267 -3.369 -3.074 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.039 -2.486 -4.949 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.510 -3.087 -4.339 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.424 -4.937 -4.853 1.00 0.00 H new ATOM 0 HG22 ILE A 17 5.848 -5.700 -3.302 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.141 -5.424 -3.721 1.00 0.00 H new ATOM 0 HD11 ILE A 17 3.616 -0.648 -4.188 1.00 0.00 H new ATOM 0 HD12 ILE A 17 3.527 -1.365 -2.561 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.079 -0.754 -3.181 1.00 0.00 H new ATOM 282 N ASP A 18 5.185 -4.936 0.406 1.00 0.00 N ATOM 283 CA ASP A 18 5.205 -6.116 1.293 1.00 0.00 C ATOM 284 C ASP A 18 3.958 -6.269 2.186 1.00 0.00 C ATOM 285 O ASP A 18 3.621 -7.388 2.588 1.00 0.00 O ATOM 286 CB ASP A 18 6.469 -6.046 2.170 1.00 0.00 C ATOM 287 CG ASP A 18 6.716 -7.312 3.018 1.00 0.00 C ATOM 288 OD1 ASP A 18 6.989 -8.389 2.430 1.00 0.00 O ATOM 289 OD2 ASP A 18 6.657 -7.234 4.267 1.00 0.00 O ATOM 0 H ASP A 18 5.650 -4.130 0.823 1.00 0.00 H new ATOM 0 HA ASP A 18 5.207 -6.994 0.647 1.00 0.00 H new ATOM 0 HB2 ASP A 18 7.334 -5.876 1.529 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.390 -5.186 2.835 1.00 0.00 H new ATOM 294 N GLU A 19 3.254 -5.164 2.468 1.00 0.00 N ATOM 295 CA GLU A 19 2.074 -5.129 3.383 1.00 0.00 C ATOM 296 C GLU A 19 0.875 -4.350 2.839 1.00 0.00 C ATOM 297 O GLU A 19 -0.205 -4.924 2.726 1.00 0.00 O ATOM 298 CB GLU A 19 2.444 -4.587 4.773 1.00 0.00 C ATOM 299 CG GLU A 19 3.462 -5.455 5.501 1.00 0.00 C ATOM 300 CD GLU A 19 3.607 -4.975 6.940 1.00 0.00 C ATOM 301 OE1 GLU A 19 4.451 -4.089 7.197 1.00 0.00 O ATOM 302 OE2 GLU A 19 2.870 -5.499 7.805 1.00 0.00 O ATOM 0 H GLU A 19 3.480 -4.253 2.070 1.00 0.00 H new ATOM 0 HA GLU A 19 1.767 -6.172 3.463 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.844 -3.578 4.668 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.541 -4.511 5.379 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.144 -6.497 5.485 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.425 -5.408 4.992 1.00 0.00 H new ATOM 309 N PHE A 20 1.032 -3.088 2.434 1.00 0.00 N ATOM 310 CA PHE A 20 -0.077 -2.239 1.942 1.00 0.00 C ATOM 311 C PHE A 20 -0.801 -2.864 0.750 1.00 0.00 C ATOM 312 O PHE A 20 -2.021 -2.882 0.687 1.00 0.00 O ATOM 313 CB PHE A 20 0.486 -0.923 1.389 1.00 0.00 C ATOM 314 CG PHE A 20 0.992 0.067 2.397 1.00 0.00 C ATOM 315 CD1 PHE A 20 2.344 0.064 2.771 1.00 0.00 C ATOM 316 CD2 PHE A 20 0.126 1.061 2.867 1.00 0.00 C ATOM 317 CE1 PHE A 20 2.822 1.064 3.628 1.00 0.00 C ATOM 318 CE2 PHE A 20 0.610 2.060 3.718 1.00 0.00 C ATOM 319 CZ PHE A 20 1.960 2.071 4.099 1.00 0.00 C ATOM 0 H PHE A 20 1.935 -2.615 2.435 1.00 0.00 H new ATOM 0 HA PHE A 20 -0.750 -2.108 2.789 1.00 0.00 H new ATOM 0 HB2 PHE A 20 1.302 -1.161 0.706 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -0.293 -0.440 0.799 1.00 0.00 H new ATOM 0 HD1 PHE A 20 3.010 -0.702 2.402 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.913 1.057 2.573 1.00 0.00 H new ATOM 0 HE1 PHE A 20 3.859 1.062 3.929 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.058 2.826 4.083 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.335 2.847 4.749 1.00 0.00 H new ATOM 329 N MET A 21 -0.033 -3.455 -0.157 1.00 0.00 N ATOM 330 CA MET A 21 -0.486 -4.213 -1.329 1.00 0.00 C ATOM 331 C MET A 21 -1.372 -5.407 -0.972 1.00 0.00 C ATOM 332 O MET A 21 -2.310 -5.739 -1.695 1.00 0.00 O ATOM 333 CB MET A 21 0.725 -4.807 -2.049 1.00 0.00 C ATOM 334 CG MET A 21 1.357 -3.845 -3.037 1.00 0.00 C ATOM 335 SD MET A 21 0.385 -3.377 -4.498 1.00 0.00 S ATOM 336 CE MET A 21 -0.507 -4.895 -4.948 1.00 0.00 C ATOM 0 H MET A 21 0.984 -3.419 -0.095 1.00 0.00 H new ATOM 0 HA MET A 21 -1.051 -3.506 -1.937 1.00 0.00 H new ATOM 0 HB2 MET A 21 1.470 -5.103 -1.311 1.00 0.00 H new ATOM 0 HB3 MET A 21 0.420 -5.712 -2.575 1.00 0.00 H new ATOM 0 HG2 MET A 21 1.615 -2.933 -2.499 1.00 0.00 H new ATOM 0 HG3 MET A 21 2.292 -4.286 -3.383 1.00 0.00 H new ATOM 0 HE1 MET A 21 -0.831 -4.832 -5.987 1.00 0.00 H new ATOM 0 HE2 MET A 21 0.152 -5.754 -4.825 1.00 0.00 H new ATOM 0 HE3 MET A 21 -1.378 -5.010 -4.302 1.00 0.00 H new ATOM 346 N GLY A 22 -1.070 -6.077 0.133 1.00 0.00 N ATOM 347 CA GLY A 22 -1.918 -7.128 0.683 1.00 0.00 C ATOM 348 C GLY A 22 -3.166 -6.560 1.327 1.00 0.00 C ATOM 349 O GLY A 22 -4.254 -7.100 1.176 1.00 0.00 O ATOM 0 H GLY A 22 -0.224 -5.906 0.677 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.200 -7.820 -0.110 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.356 -7.701 1.421 1.00 0.00 H new ATOM 353 N LYS A 23 -3.001 -5.433 2.010 1.00 0.00 N ATOM 354 CA LYS A 23 -4.016 -4.687 2.708 1.00 0.00 C ATOM 355 C LYS A 23 -5.132 -4.341 1.719 1.00 0.00 C ATOM 356 O LYS A 23 -6.303 -4.614 1.962 1.00 0.00 O ATOM 357 CB LYS A 23 -3.275 -3.444 3.240 1.00 0.00 C ATOM 358 CG LYS A 23 -3.319 -3.227 4.729 1.00 0.00 C ATOM 359 CD LYS A 23 -2.292 -2.173 5.188 1.00 0.00 C ATOM 360 CE LYS A 23 -1.008 -2.870 5.658 1.00 0.00 C ATOM 361 NZ LYS A 23 -0.044 -1.939 6.281 1.00 0.00 N ATOM 0 H LYS A 23 -2.084 -4.993 2.090 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.492 -5.224 3.528 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.231 -3.512 2.935 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.693 -2.563 2.753 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.320 -2.909 5.020 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.124 -4.170 5.239 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -2.067 -1.490 4.369 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -2.709 -1.574 5.997 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.265 -3.651 6.373 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.534 -3.360 4.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.858 -1.976 5.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.423 -0.971 6.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 0.113 -2.213 7.272 1.00 0.00 H new ATOM 375 N ILE A 24 -4.731 -3.822 0.554 1.00 0.00 N ATOM 376 CA ILE A 24 -5.586 -3.521 -0.600 1.00 0.00 C ATOM 377 C ILE A 24 -6.112 -4.720 -1.368 1.00 0.00 C ATOM 378 O ILE A 24 -7.308 -4.804 -1.652 1.00 0.00 O ATOM 379 CB ILE A 24 -4.872 -2.546 -1.523 1.00 0.00 C ATOM 380 CG1 ILE A 24 -3.549 -2.965 -2.116 1.00 0.00 C ATOM 381 CG2 ILE A 24 -4.850 -1.191 -0.802 1.00 0.00 C ATOM 382 CD1 ILE A 24 -2.866 -1.825 -2.805 1.00 0.00 C ATOM 0 H ILE A 24 -3.753 -3.589 0.381 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.486 -3.070 -0.183 1.00 0.00 H new ATOM 0 HB ILE A 24 -5.443 -2.497 -2.450 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.904 -3.353 -1.328 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -3.709 -3.776 -2.826 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.345 -0.454 -1.427 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -5.872 -0.865 -0.610 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.317 -1.291 0.143 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -1.917 -2.166 -3.219 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.500 -1.454 -3.610 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -2.683 -1.024 -2.089 1.00 0.00 H new ATOM 394 N ALA A 25 -5.244 -5.684 -1.669 1.00 0.00 N ATOM 395 CA ALA A 25 -5.664 -6.888 -2.378 1.00 0.00 C ATOM 396 C ALA A 25 -6.678 -7.692 -1.540 1.00 0.00 C ATOM 397 O ALA A 25 -7.511 -8.423 -2.081 1.00 0.00 O ATOM 398 CB ALA A 25 -4.449 -7.742 -2.765 1.00 0.00 C ATOM 0 H ALA A 25 -4.252 -5.654 -1.434 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.164 -6.588 -3.299 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.785 -8.635 -3.293 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.790 -7.164 -3.413 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.908 -8.034 -1.865 1.00 0.00 H new ATOM 404 N SER A 26 -6.666 -7.465 -0.224 1.00 0.00 N ATOM 405 CA SER A 26 -7.545 -8.064 0.780 1.00 0.00 C ATOM 406 C SER A 26 -8.545 -7.066 1.391 1.00 0.00 C ATOM 407 O SER A 26 -9.150 -7.357 2.433 1.00 0.00 O ATOM 408 CB SER A 26 -6.719 -8.774 1.863 1.00 0.00 C ATOM 409 OG SER A 26 -7.577 -9.378 2.815 1.00 0.00 O ATOM 0 H SER A 26 -5.999 -6.816 0.194 1.00 0.00 H new ATOM 0 HA SER A 26 -8.154 -8.805 0.263 1.00 0.00 H new ATOM 0 HB2 SER A 26 -6.081 -9.530 1.406 1.00 0.00 H new ATOM 0 HB3 SER A 26 -6.062 -8.058 2.357 1.00 0.00 H new ATOM 0 HG SER A 26 -8.463 -8.962 2.767 1.00 0.00 H new ATOM 415 N CYS A 27 -8.727 -5.865 0.839 1.00 0.00 N ATOM 416 CA CYS A 27 -9.462 -4.852 1.589 1.00 0.00 C ATOM 417 C CYS A 27 -10.974 -5.168 1.756 1.00 0.00 C ATOM 418 O CYS A 27 -11.641 -4.639 2.647 1.00 0.00 O ATOM 419 CB CYS A 27 -9.267 -3.516 0.914 1.00 0.00 C ATOM 420 SG CYS A 27 -10.080 -3.482 -0.666 1.00 0.00 S ATOM 0 H CYS A 27 -8.392 -5.580 -0.082 1.00 0.00 H new ATOM 0 HA CYS A 27 -9.058 -4.837 2.601 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -9.662 -2.722 1.548 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -8.202 -3.321 0.784 1.00 0.00 H new ATOM 0 HG CYS A 27 -11.218 -2.863 -0.555 1.00 0.00 H new ATOM 426 N GLN A 28 -11.507 -6.018 0.858 1.00 0.00 N ATOM 427 CA GLN A 28 -12.873 -6.598 0.777 1.00 0.00 C ATOM 428 C GLN A 28 -14.028 -5.592 0.605 1.00 0.00 C ATOM 429 O GLN A 28 -15.190 -5.976 0.471 1.00 0.00 O ATOM 430 CB GLN A 28 -13.167 -7.488 1.999 1.00 0.00 C ATOM 431 CG GLN A 28 -12.225 -8.680 2.159 1.00 0.00 C ATOM 432 CD GLN A 28 -12.079 -9.052 3.620 1.00 0.00 C ATOM 433 OE1 GLN A 28 -12.797 -9.882 4.160 1.00 0.00 O ATOM 434 NE2 GLN A 28 -11.158 -8.409 4.311 1.00 0.00 N ATOM 0 H GLN A 28 -10.934 -6.355 0.085 1.00 0.00 H new ATOM 0 HA GLN A 28 -12.847 -7.180 -0.144 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -13.113 -6.876 2.899 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -14.190 -7.857 1.925 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -12.609 -9.532 1.598 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -11.248 -8.437 1.741 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -10.564 -7.719 3.851 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -11.039 -8.602 5.306 1.00 0.00 H new ATOM 443 N THR A 29 -13.716 -4.302 0.621 1.00 0.00 N ATOM 444 CA THR A 29 -14.657 -3.181 0.664 1.00 0.00 C ATOM 445 C THR A 29 -13.974 -1.997 0.037 1.00 0.00 C ATOM 446 O THR A 29 -12.776 -1.781 0.259 1.00 0.00 O ATOM 447 CB THR A 29 -14.993 -2.783 2.111 1.00 0.00 C ATOM 448 OG1 THR A 29 -13.838 -2.702 2.924 1.00 0.00 O ATOM 449 CG2 THR A 29 -15.962 -3.740 2.803 1.00 0.00 C ATOM 0 H THR A 29 -12.746 -3.989 0.603 1.00 0.00 H new ATOM 0 HA THR A 29 -15.572 -3.473 0.149 1.00 0.00 H new ATOM 0 HB THR A 29 -15.466 -1.806 2.009 1.00 0.00 H new ATOM 0 HG1 THR A 29 -13.289 -3.503 2.793 1.00 0.00 H new ATOM 0 HG21 THR A 29 -16.151 -3.394 3.819 1.00 0.00 H new ATOM 0 HG22 THR A 29 -16.900 -3.771 2.249 1.00 0.00 H new ATOM 0 HG23 THR A 29 -15.527 -4.739 2.835 1.00 0.00 H new ATOM 457 N LEU A 30 -14.698 -1.201 -0.748 1.00 0.00 N ATOM 458 CA LEU A 30 -14.061 -0.005 -1.261 1.00 0.00 C ATOM 459 C LEU A 30 -13.874 0.993 -0.144 1.00 0.00 C ATOM 460 O LEU A 30 -12.905 1.713 -0.053 1.00 0.00 O ATOM 461 CB LEU A 30 -14.896 0.689 -2.308 1.00 0.00 C ATOM 462 CG LEU A 30 -13.892 1.627 -2.995 1.00 0.00 C ATOM 463 CD1 LEU A 30 -13.500 1.203 -4.349 1.00 0.00 C ATOM 464 CD2 LEU A 30 -14.411 3.006 -3.025 1.00 0.00 C ATOM 0 H LEU A 30 -15.667 -1.353 -1.026 1.00 0.00 H new ATOM 0 HA LEU A 30 -13.115 -0.327 -1.696 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.330 -0.021 -3.012 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -15.723 1.242 -1.862 1.00 0.00 H new ATOM 0 HG LEU A 30 -12.986 1.582 -2.391 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -12.790 1.919 -4.763 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -13.036 0.218 -4.302 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -14.383 1.158 -4.986 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -13.687 3.657 -3.515 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -15.351 3.029 -3.576 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -14.580 3.354 -2.006 1.00 0.00 H new ATOM 476 N GLU A 31 -14.852 1.001 0.723 1.00 0.00 N ATOM 477 CA GLU A 31 -14.956 1.842 1.869 1.00 0.00 C ATOM 478 C GLU A 31 -13.783 1.633 2.805 1.00 0.00 C ATOM 479 O GLU A 31 -13.264 2.585 3.371 1.00 0.00 O ATOM 480 CB GLU A 31 -16.284 1.425 2.489 1.00 0.00 C ATOM 481 CG GLU A 31 -16.844 2.560 3.287 1.00 0.00 C ATOM 482 CD GLU A 31 -18.110 2.164 4.024 1.00 0.00 C ATOM 483 OE1 GLU A 31 -18.003 1.627 5.149 1.00 0.00 O ATOM 484 OE2 GLU A 31 -19.207 2.402 3.472 1.00 0.00 O ATOM 0 H GLU A 31 -15.650 0.372 0.633 1.00 0.00 H new ATOM 0 HA GLU A 31 -14.930 2.906 1.635 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -16.987 1.135 1.708 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -16.141 0.554 3.128 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -16.098 2.902 4.005 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -17.057 3.399 2.625 1.00 0.00 H new ATOM 491 N GLY A 32 -13.330 0.388 2.903 1.00 0.00 N ATOM 492 CA GLY A 32 -12.049 0.036 3.494 1.00 0.00 C ATOM 493 C GLY A 32 -10.825 0.370 2.674 1.00 0.00 C ATOM 494 O GLY A 32 -9.881 0.907 3.217 1.00 0.00 O ATOM 0 H GLY A 32 -13.855 -0.419 2.566 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.965 0.540 4.457 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -12.046 -1.035 3.694 1.00 0.00 H new ATOM 498 N LEU A 33 -10.822 0.158 1.370 1.00 0.00 N ATOM 499 CA LEU A 33 -9.729 0.552 0.481 1.00 0.00 C ATOM 500 C LEU A 33 -9.431 2.040 0.497 1.00 0.00 C ATOM 501 O LEU A 33 -8.291 2.462 0.452 1.00 0.00 O ATOM 502 CB LEU A 33 -10.225 0.172 -0.912 1.00 0.00 C ATOM 503 CG LEU A 33 -9.301 0.508 -2.083 1.00 0.00 C ATOM 504 CD1 LEU A 33 -7.841 0.180 -1.888 1.00 0.00 C ATOM 505 CD2 LEU A 33 -9.751 -0.322 -3.251 1.00 0.00 C ATOM 0 H LEU A 33 -11.592 -0.302 0.884 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.805 0.064 0.791 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -10.415 -0.901 -0.925 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -11.181 0.667 -1.080 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.370 1.588 -2.211 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.283 0.461 -2.781 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.456 0.732 -1.031 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.729 -0.890 -1.711 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.116 -0.113 -4.112 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.679 -1.379 -2.995 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.785 -0.077 -3.494 1.00 0.00 H new ATOM 517 N GLU A 34 -10.485 2.814 0.575 1.00 0.00 N ATOM 518 CA GLU A 34 -10.571 4.253 0.786 1.00 0.00 C ATOM 519 C GLU A 34 -10.106 4.710 2.176 1.00 0.00 C ATOM 520 O GLU A 34 -9.531 5.790 2.318 1.00 0.00 O ATOM 521 CB GLU A 34 -12.038 4.629 0.617 1.00 0.00 C ATOM 522 CG GLU A 34 -12.443 4.784 -0.847 1.00 0.00 C ATOM 523 CD GLU A 34 -11.951 6.113 -1.414 1.00 0.00 C ATOM 524 OE1 GLU A 34 -10.761 6.219 -1.773 1.00 0.00 O ATOM 525 OE2 GLU A 34 -12.769 7.051 -1.521 1.00 0.00 O ATOM 0 H GLU A 34 -11.417 2.410 0.482 1.00 0.00 H new ATOM 0 HA GLU A 34 -9.909 4.741 0.071 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -12.660 3.865 1.083 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -12.232 5.563 1.144 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -12.031 3.961 -1.431 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -13.528 4.726 -0.936 1.00 0.00 H new ATOM 532 N GLU A 35 -10.318 3.875 3.203 1.00 0.00 N ATOM 533 CA GLU A 35 -9.728 4.044 4.555 1.00 0.00 C ATOM 534 C GLU A 35 -8.251 3.723 4.519 1.00 0.00 C ATOM 535 O GLU A 35 -7.470 4.483 5.069 1.00 0.00 O ATOM 536 CB GLU A 35 -10.320 3.126 5.632 1.00 0.00 C ATOM 537 CG GLU A 35 -11.746 3.447 6.022 1.00 0.00 C ATOM 538 CD GLU A 35 -11.774 4.417 7.195 1.00 0.00 C ATOM 539 OE1 GLU A 35 -11.747 3.939 8.351 1.00 0.00 O ATOM 540 OE2 GLU A 35 -11.836 5.647 6.963 1.00 0.00 O ATOM 0 H GLU A 35 -10.911 3.049 3.125 1.00 0.00 H new ATOM 0 HA GLU A 35 -9.945 5.080 4.815 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.278 2.097 5.276 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.693 3.181 6.522 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -12.273 3.880 5.172 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -12.271 2.530 6.289 1.00 0.00 H new ATOM 547 N LEU A 36 -7.875 2.661 3.804 1.00 0.00 N ATOM 548 CA LEU A 36 -6.506 2.291 3.496 1.00 0.00 C ATOM 549 C LEU A 36 -5.846 3.397 2.675 1.00 0.00 C ATOM 550 O LEU A 36 -4.684 3.695 2.896 1.00 0.00 O ATOM 551 CB LEU A 36 -6.329 0.964 2.731 1.00 0.00 C ATOM 552 CG LEU A 36 -6.886 -0.303 3.372 1.00 0.00 C ATOM 553 CD1 LEU A 36 -6.884 -1.475 2.402 1.00 0.00 C ATOM 554 CD2 LEU A 36 -5.968 -0.700 4.490 1.00 0.00 C ATOM 0 H LEU A 36 -8.554 2.010 3.409 1.00 0.00 H new ATOM 0 HA LEU A 36 -6.036 2.151 4.469 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.794 1.077 1.752 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.263 0.814 2.562 1.00 0.00 H new ATOM 0 HG LEU A 36 -7.904 -0.090 3.697 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.288 -2.358 2.897 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.499 -1.231 1.536 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.863 -1.677 2.077 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.345 -1.605 4.966 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.970 -0.887 4.093 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.921 0.104 5.225 1.00 0.00 H new ATOM 566 N GLU A 37 -6.586 4.038 1.767 1.00 0.00 N ATOM 567 CA GLU A 37 -6.095 5.100 0.913 1.00 0.00 C ATOM 568 C GLU A 37 -5.763 6.331 1.706 1.00 0.00 C ATOM 569 O GLU A 37 -4.692 6.921 1.563 1.00 0.00 O ATOM 570 CB GLU A 37 -7.121 5.502 -0.140 1.00 0.00 C ATOM 571 CG GLU A 37 -6.498 6.127 -1.378 1.00 0.00 C ATOM 572 CD GLU A 37 -6.231 7.623 -1.290 1.00 0.00 C ATOM 573 OE1 GLU A 37 -7.001 8.360 -0.634 1.00 0.00 O ATOM 574 OE2 GLU A 37 -5.276 8.063 -1.970 1.00 0.00 O ATOM 0 H GLU A 37 -7.570 3.820 1.608 1.00 0.00 H new ATOM 0 HA GLU A 37 -5.201 4.704 0.431 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.693 4.622 -0.434 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.825 6.208 0.300 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -5.557 5.619 -1.586 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.155 5.942 -2.228 1.00 0.00 H new ATOM 581 N ALA A 38 -6.671 6.679 2.611 1.00 0.00 N ATOM 582 CA ALA A 38 -6.399 7.716 3.560 1.00 0.00 C ATOM 583 C ALA A 38 -5.220 7.311 4.466 1.00 0.00 C ATOM 584 O ALA A 38 -4.248 8.046 4.565 1.00 0.00 O ATOM 585 CB ALA A 38 -7.662 8.032 4.365 1.00 0.00 C ATOM 0 H ALA A 38 -7.593 6.252 2.696 1.00 0.00 H new ATOM 0 HA ALA A 38 -6.108 8.625 3.035 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.447 8.822 5.085 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.451 8.362 3.689 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -7.989 7.137 4.895 1.00 0.00 H new ATOM 591 N TYR A 39 -5.229 6.104 5.036 1.00 0.00 N ATOM 592 CA TYR A 39 -4.198 5.653 5.974 1.00 0.00 C ATOM 593 C TYR A 39 -2.797 5.584 5.306 1.00 0.00 C ATOM 594 O TYR A 39 -1.784 5.903 5.933 1.00 0.00 O ATOM 595 CB TYR A 39 -4.605 4.303 6.592 1.00 0.00 C ATOM 596 CG TYR A 39 -3.467 3.319 6.742 1.00 0.00 C ATOM 597 CD1 TYR A 39 -2.587 3.377 7.837 1.00 0.00 C ATOM 598 CD2 TYR A 39 -3.222 2.430 5.682 1.00 0.00 C ATOM 599 CE1 TYR A 39 -1.433 2.566 7.838 1.00 0.00 C ATOM 600 CE2 TYR A 39 -2.066 1.646 5.670 1.00 0.00 C ATOM 601 CZ TYR A 39 -1.167 1.706 6.759 1.00 0.00 C ATOM 602 OH TYR A 39 -0.033 0.956 6.760 1.00 0.00 O ATOM 0 H TYR A 39 -5.954 5.409 4.859 1.00 0.00 H new ATOM 0 HA TYR A 39 -4.118 6.388 6.775 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -5.045 4.484 7.573 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -5.380 3.852 5.973 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -2.792 4.035 8.668 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.932 2.352 4.872 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -0.750 2.606 8.673 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.860 0.997 4.832 1.00 0.00 H new ATOM 0 HH TYR A 39 0.485 1.145 5.950 1.00 0.00 H new ATOM 612 N TYR A 40 -2.748 5.276 4.009 1.00 0.00 N ATOM 613 CA TYR A 40 -1.583 5.368 3.124 1.00 0.00 C ATOM 614 C TYR A 40 -1.093 6.821 3.092 1.00 0.00 C ATOM 615 O TYR A 40 0.019 7.111 3.538 1.00 0.00 O ATOM 616 CB TYR A 40 -2.033 4.877 1.731 1.00 0.00 C ATOM 617 CG TYR A 40 -1.307 5.381 0.501 1.00 0.00 C ATOM 618 CD1 TYR A 40 0.080 5.237 0.349 1.00 0.00 C ATOM 619 CD2 TYR A 40 -2.061 5.997 -0.519 1.00 0.00 C ATOM 620 CE1 TYR A 40 0.709 5.716 -0.818 1.00 0.00 C ATOM 621 CE2 TYR A 40 -1.428 6.493 -1.664 1.00 0.00 C ATOM 622 CZ TYR A 40 -0.046 6.355 -1.814 1.00 0.00 C ATOM 623 OH TYR A 40 0.521 6.846 -2.942 1.00 0.00 O ATOM 0 H TYR A 40 -3.573 4.934 3.516 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.752 4.754 3.470 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -1.966 3.789 1.729 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -3.087 5.132 1.618 1.00 0.00 H new ATOM 0 HD1 TYR A 40 0.664 4.761 1.123 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -3.132 6.086 -0.416 1.00 0.00 H new ATOM 0 HE1 TYR A 40 1.774 5.591 -0.946 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -2.008 6.983 -2.432 1.00 0.00 H new ATOM 0 HH TYR A 40 1.305 7.385 -2.706 1.00 0.00 H new ATOM 633 N LYS A 41 -1.967 7.762 2.730 1.00 0.00 N ATOM 634 CA LYS A 41 -1.601 9.188 2.698 1.00 0.00 C ATOM 635 C LYS A 41 -1.160 9.749 4.075 1.00 0.00 C ATOM 636 O LYS A 41 -0.223 10.543 4.168 1.00 0.00 O ATOM 637 CB LYS A 41 -2.778 9.984 2.137 1.00 0.00 C ATOM 638 CG LYS A 41 -3.141 9.474 0.730 1.00 0.00 C ATOM 639 CD LYS A 41 -2.853 10.471 -0.391 1.00 0.00 C ATOM 640 CE LYS A 41 -1.347 10.688 -0.500 1.00 0.00 C ATOM 641 NZ LYS A 41 -0.951 12.105 -0.347 1.00 0.00 N ATOM 0 H LYS A 41 -2.930 7.568 2.455 1.00 0.00 H new ATOM 0 HA LYS A 41 -0.728 9.290 2.053 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.639 9.890 2.799 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -2.523 11.043 2.094 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.588 8.555 0.535 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.200 9.218 0.710 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.247 10.097 -1.336 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.354 11.417 -0.189 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.844 10.092 0.262 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.003 10.323 -1.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.082 12.188 -0.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.405 12.674 -1.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.251 12.451 0.587 1.00 0.00 H new ATOM 655 N LYS A 42 -1.830 9.316 5.147 1.00 0.00 N ATOM 656 CA LYS A 42 -1.656 9.656 6.537 1.00 0.00 C ATOM 657 C LYS A 42 -0.326 9.161 7.112 1.00 0.00 C ATOM 658 O LYS A 42 0.350 9.916 7.798 1.00 0.00 O ATOM 659 CB LYS A 42 -2.840 8.983 7.248 1.00 0.00 C ATOM 660 CG LYS A 42 -4.207 9.649 7.028 1.00 0.00 C ATOM 661 CD LYS A 42 -4.436 10.923 7.833 1.00 0.00 C ATOM 662 CE LYS A 42 -5.781 11.467 7.347 1.00 0.00 C ATOM 663 NZ LYS A 42 -5.996 12.879 7.728 1.00 0.00 N ATOM 0 H LYS A 42 -2.589 8.644 5.034 1.00 0.00 H new ATOM 0 HA LYS A 42 -1.631 10.737 6.674 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.902 7.947 6.913 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.634 8.961 8.318 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.316 9.881 5.969 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.989 8.932 7.279 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.459 10.714 8.903 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.636 11.644 7.666 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.835 11.375 6.262 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.585 10.857 7.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.921 13.197 7.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -5.973 12.966 8.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.246 13.468 7.314 1.00 0.00 H new ATOM 677 N ARG A 43 0.069 7.907 6.872 1.00 0.00 N ATOM 678 CA ARG A 43 1.395 7.420 7.261 1.00 0.00 C ATOM 679 C ARG A 43 2.528 8.016 6.434 1.00 0.00 C ATOM 680 O ARG A 43 3.535 8.380 7.007 1.00 0.00 O ATOM 681 CB ARG A 43 1.450 5.892 7.248 1.00 0.00 C ATOM 682 CG ARG A 43 2.682 5.395 8.028 1.00 0.00 C ATOM 683 CD ARG A 43 2.866 3.881 7.893 1.00 0.00 C ATOM 684 NE ARG A 43 3.988 3.419 8.730 1.00 0.00 N ATOM 685 CZ ARG A 43 4.630 2.265 8.651 1.00 0.00 C ATOM 686 NH1 ARG A 43 4.345 1.370 7.744 1.00 0.00 N ATOM 687 NH2 ARG A 43 5.584 1.987 9.494 1.00 0.00 N ATOM 0 H ARG A 43 -0.513 7.209 6.409 1.00 0.00 H new ATOM 0 HA ARG A 43 1.552 7.765 8.283 1.00 0.00 H new ATOM 0 HB2 ARG A 43 0.542 5.485 7.692 1.00 0.00 H new ATOM 0 HB3 ARG A 43 1.492 5.531 6.220 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.574 5.904 7.662 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.576 5.656 9.081 1.00 0.00 H new ATOM 0 HD2 ARG A 43 1.950 3.370 8.189 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.052 3.623 6.850 1.00 0.00 H new ATOM 0 HE ARG A 43 4.306 4.064 9.454 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.605 1.550 7.065 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.862 0.491 7.714 1.00 0.00 H new ATOM 0 HH21 ARG A 43 5.838 2.660 10.217 1.00 0.00 H new ATOM 0 HH22 ARG A 43 6.077 1.096 9.431 1.00 0.00 H new ATOM 701 N VAL A 44 2.429 8.128 5.110 1.00 0.00 N ATOM 702 CA VAL A 44 3.556 8.331 4.193 1.00 0.00 C ATOM 703 C VAL A 44 4.472 9.506 4.512 1.00 0.00 C ATOM 704 O VAL A 44 5.697 9.398 4.438 1.00 0.00 O ATOM 705 CB VAL A 44 2.901 8.413 2.806 1.00 0.00 C ATOM 706 CG1 VAL A 44 3.543 9.335 1.783 1.00 0.00 C ATOM 707 CG2 VAL A 44 2.845 6.972 2.339 1.00 0.00 C ATOM 0 H VAL A 44 1.532 8.079 4.627 1.00 0.00 H new ATOM 0 HA VAL A 44 4.267 7.509 4.275 1.00 0.00 H new ATOM 0 HB VAL A 44 1.926 8.890 2.900 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.978 9.294 0.852 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.543 10.357 2.163 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.569 9.016 1.599 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.389 6.928 1.350 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.855 6.565 2.292 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.250 6.385 3.039 1.00 0.00 H new ATOM 802 N LYS A 50 8.988 6.076 -0.844 1.00 0.00 N ATOM 803 CA LYS A 50 9.831 6.471 -1.968 1.00 0.00 C ATOM 804 C LYS A 50 8.979 6.447 -3.249 1.00 0.00 C ATOM 805 O LYS A 50 7.796 6.105 -3.221 1.00 0.00 O ATOM 806 CB LYS A 50 11.043 5.512 -2.029 1.00 0.00 C ATOM 807 CG LYS A 50 10.749 4.099 -2.565 1.00 0.00 C ATOM 808 CD LYS A 50 11.143 3.011 -1.561 1.00 0.00 C ATOM 809 CE LYS A 50 10.278 3.178 -0.314 1.00 0.00 C ATOM 810 NZ LYS A 50 10.304 2.041 0.632 1.00 0.00 N ATOM 0 HA LYS A 50 10.219 7.483 -1.854 1.00 0.00 H new ATOM 0 HB2 LYS A 50 11.811 5.966 -2.655 1.00 0.00 H new ATOM 0 HB3 LYS A 50 11.462 5.421 -1.027 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.687 4.012 -2.795 1.00 0.00 H new ATOM 0 HG3 LYS A 50 11.291 3.945 -3.498 1.00 0.00 H new ATOM 0 HD2 LYS A 50 10.997 2.022 -1.995 1.00 0.00 H new ATOM 0 HD3 LYS A 50 12.199 3.094 -1.305 1.00 0.00 H new ATOM 0 HE2 LYS A 50 10.600 4.076 0.214 1.00 0.00 H new ATOM 0 HE3 LYS A 50 9.247 3.345 -0.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.874 2.330 1.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.768 1.244 0.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 11.288 1.749 0.796 1.00 0.00 H new ATOM 824 N ASP A 51 9.557 6.731 -4.413 1.00 0.00 N ATOM 825 CA ASP A 51 8.776 6.631 -5.666 1.00 0.00 C ATOM 826 C ASP A 51 8.175 5.228 -5.835 1.00 0.00 C ATOM 827 O ASP A 51 6.998 5.064 -6.125 1.00 0.00 O ATOM 828 CB ASP A 51 9.660 6.962 -6.873 1.00 0.00 C ATOM 829 CG ASP A 51 10.260 8.390 -6.851 1.00 0.00 C ATOM 830 OD1 ASP A 51 9.580 9.345 -7.299 1.00 0.00 O ATOM 831 OD2 ASP A 51 11.421 8.547 -6.397 1.00 0.00 O ATOM 0 H ASP A 51 10.528 7.023 -4.527 1.00 0.00 H new ATOM 0 HA ASP A 51 7.960 7.352 -5.608 1.00 0.00 H new ATOM 0 HB2 ASP A 51 10.474 6.239 -6.921 1.00 0.00 H new ATOM 0 HB3 ASP A 51 9.072 6.841 -7.783 1.00 0.00 H new ATOM 836 N THR A 52 8.976 4.211 -5.535 1.00 0.00 N ATOM 837 CA THR A 52 8.700 2.801 -5.792 1.00 0.00 C ATOM 838 C THR A 52 7.464 2.245 -5.097 1.00 0.00 C ATOM 839 O THR A 52 6.736 1.502 -5.747 1.00 0.00 O ATOM 840 CB THR A 52 9.881 2.001 -5.250 1.00 0.00 C ATOM 841 OG1 THR A 52 11.103 2.449 -5.789 1.00 0.00 O ATOM 842 CG2 THR A 52 9.789 0.492 -5.470 1.00 0.00 C ATOM 0 H THR A 52 9.880 4.354 -5.084 1.00 0.00 H new ATOM 0 HA THR A 52 8.535 2.718 -6.866 1.00 0.00 H new ATOM 0 HB THR A 52 9.840 2.178 -4.175 1.00 0.00 H new ATOM 0 HG1 THR A 52 11.829 1.868 -5.480 1.00 0.00 H new ATOM 0 HG21 THR A 52 10.672 0.009 -5.052 1.00 0.00 H new ATOM 0 HG22 THR A 52 8.897 0.106 -4.977 1.00 0.00 H new ATOM 0 HG23 THR A 52 9.733 0.283 -6.538 1.00 0.00 H new ATOM 850 N ASP A 53 7.203 2.546 -3.809 1.00 0.00 N ATOM 851 CA ASP A 53 5.915 2.136 -3.211 1.00 0.00 C ATOM 852 C ASP A 53 4.805 2.894 -3.885 1.00 0.00 C ATOM 853 O ASP A 53 3.791 2.310 -4.274 1.00 0.00 O ATOM 854 CB ASP A 53 5.714 2.309 -1.671 1.00 0.00 C ATOM 855 CG ASP A 53 6.790 3.018 -0.850 1.00 0.00 C ATOM 856 OD1 ASP A 53 7.509 3.847 -1.444 1.00 0.00 O ATOM 857 OD2 ASP A 53 6.940 2.700 0.355 1.00 0.00 O ATOM 0 H ASP A 53 7.835 3.049 -3.186 1.00 0.00 H new ATOM 0 HA ASP A 53 5.909 1.058 -3.371 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.779 2.849 -1.522 1.00 0.00 H new ATOM 0 HB3 ASP A 53 5.579 1.315 -1.245 1.00 0.00 H new ATOM 862 N ASP A 54 5.015 4.199 -4.006 1.00 0.00 N ATOM 863 CA ASP A 54 3.891 5.104 -4.086 1.00 0.00 C ATOM 864 C ASP A 54 3.036 4.832 -5.304 1.00 0.00 C ATOM 865 O ASP A 54 1.833 4.693 -5.179 1.00 0.00 O ATOM 866 CB ASP A 54 4.500 6.511 -4.200 1.00 0.00 C ATOM 867 CG ASP A 54 3.476 7.649 -4.049 1.00 0.00 C ATOM 868 OD1 ASP A 54 2.949 7.853 -2.927 1.00 0.00 O ATOM 869 OD2 ASP A 54 3.187 8.331 -5.060 1.00 0.00 O ATOM 0 H ASP A 54 5.933 4.640 -4.050 1.00 0.00 H new ATOM 0 HA ASP A 54 3.247 4.988 -3.214 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.270 6.625 -3.437 1.00 0.00 H new ATOM 0 HB3 ASP A 54 4.993 6.605 -5.168 1.00 0.00 H new ATOM 874 N ILE A 55 3.691 4.667 -6.449 1.00 0.00 N ATOM 875 CA ILE A 55 3.086 4.325 -7.753 1.00 0.00 C ATOM 876 C ILE A 55 2.523 2.918 -7.821 1.00 0.00 C ATOM 877 O ILE A 55 1.422 2.679 -8.294 1.00 0.00 O ATOM 878 CB ILE A 55 4.090 4.408 -8.935 1.00 0.00 C ATOM 879 CG1 ILE A 55 5.278 5.369 -8.745 1.00 0.00 C ATOM 880 CG2 ILE A 55 3.323 4.729 -10.227 1.00 0.00 C ATOM 881 CD1 ILE A 55 6.561 4.557 -8.958 1.00 0.00 C ATOM 0 H ILE A 55 4.704 4.770 -6.507 1.00 0.00 H new ATOM 0 HA ILE A 55 2.294 5.068 -7.842 1.00 0.00 H new ATOM 0 HB ILE A 55 4.561 3.427 -8.990 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.223 6.193 -9.456 1.00 0.00 H new ATOM 0 HG13 ILE A 55 5.262 5.807 -7.747 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.023 4.789 -11.060 1.00 0.00 H new ATOM 0 HG22 ILE A 55 2.593 3.943 -10.422 1.00 0.00 H new ATOM 0 HG23 ILE A 55 2.808 5.683 -10.117 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.428 5.206 -8.831 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.604 3.747 -8.230 1.00 0.00 H new ATOM 0 HD13 ILE A 55 6.565 4.140 -9.965 1.00 0.00 H new ATOM 893 N SER A 56 3.331 1.976 -7.335 1.00 0.00 N ATOM 894 CA SER A 56 3.067 0.542 -7.484 1.00 0.00 C ATOM 895 C SER A 56 1.803 0.163 -6.735 1.00 0.00 C ATOM 896 O SER A 56 0.904 -0.513 -7.235 1.00 0.00 O ATOM 897 CB SER A 56 4.277 -0.239 -6.982 1.00 0.00 C ATOM 898 OG SER A 56 5.090 -0.687 -8.052 1.00 0.00 O ATOM 0 H SER A 56 4.190 2.185 -6.825 1.00 0.00 H new ATOM 0 HA SER A 56 2.907 0.296 -8.534 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.866 0.391 -6.316 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.941 -1.095 -6.397 1.00 0.00 H new ATOM 0 HG SER A 56 5.857 -1.182 -7.695 1.00 0.00 H new ATOM 904 N VAL A 57 1.789 0.625 -5.489 1.00 0.00 N ATOM 905 CA VAL A 57 0.656 0.503 -4.594 1.00 0.00 C ATOM 906 C VAL A 57 -0.496 1.353 -5.085 1.00 0.00 C ATOM 907 O VAL A 57 -1.552 0.786 -5.275 1.00 0.00 O ATOM 908 CB VAL A 57 1.087 0.806 -3.154 1.00 0.00 C ATOM 909 CG1 VAL A 57 0.824 2.197 -2.661 1.00 0.00 C ATOM 910 CG2 VAL A 57 0.429 -0.106 -2.135 1.00 0.00 C ATOM 0 H VAL A 57 2.585 1.104 -5.069 1.00 0.00 H new ATOM 0 HA VAL A 57 0.289 -0.523 -4.590 1.00 0.00 H new ATOM 0 HB VAL A 57 2.163 0.650 -3.228 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.171 2.290 -1.632 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.355 2.912 -3.289 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.246 2.402 -2.703 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.774 0.157 -1.135 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.653 0.010 -2.188 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.694 -1.141 -2.349 1.00 0.00 H new ATOM 920 N ARG A 58 -0.324 2.618 -5.494 1.00 0.00 N ATOM 921 CA ARG A 58 -1.458 3.376 -6.002 1.00 0.00 C ATOM 922 C ARG A 58 -2.099 2.772 -7.237 1.00 0.00 C ATOM 923 O ARG A 58 -3.312 2.824 -7.371 1.00 0.00 O ATOM 924 CB ARG A 58 -1.039 4.799 -6.338 1.00 0.00 C ATOM 925 CG ARG A 58 -1.594 5.759 -5.284 1.00 0.00 C ATOM 926 CD ARG A 58 -3.097 5.947 -5.490 1.00 0.00 C ATOM 927 NE ARG A 58 -3.631 7.090 -4.718 1.00 0.00 N ATOM 928 CZ ARG A 58 -3.651 8.363 -5.072 1.00 0.00 C ATOM 929 NH1 ARG A 58 -3.164 8.795 -6.207 1.00 0.00 N ATOM 930 NH2 ARG A 58 -4.176 9.241 -4.269 1.00 0.00 N ATOM 0 H ARG A 58 0.564 3.119 -5.482 1.00 0.00 H new ATOM 0 HA ARG A 58 -2.196 3.357 -5.200 1.00 0.00 H new ATOM 0 HB2 ARG A 58 0.048 4.870 -6.373 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -1.408 5.074 -7.326 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -1.401 5.367 -4.285 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -1.086 6.721 -5.352 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.300 6.101 -6.550 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -3.619 5.037 -5.195 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.031 6.870 -3.806 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -2.745 8.138 -6.865 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -3.204 9.789 -6.434 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -4.568 8.945 -3.375 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -4.196 10.226 -4.533 1.00 0.00 H new ATOM 944 N ASP A 59 -1.312 2.169 -8.114 1.00 0.00 N ATOM 945 CA ASP A 59 -1.845 1.530 -9.328 1.00 0.00 C ATOM 946 C ASP A 59 -2.688 0.284 -9.036 1.00 0.00 C ATOM 947 O ASP A 59 -3.601 -0.041 -9.789 1.00 0.00 O ATOM 948 CB ASP A 59 -0.671 1.157 -10.246 1.00 0.00 C ATOM 949 CG ASP A 59 -1.116 0.614 -11.617 1.00 0.00 C ATOM 950 OD1 ASP A 59 -1.599 1.411 -12.454 1.00 0.00 O ATOM 951 OD2 ASP A 59 -0.960 -0.605 -11.873 1.00 0.00 O ATOM 0 H ASP A 59 -0.299 2.104 -8.016 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.510 2.247 -9.810 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.044 2.036 -10.397 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -0.055 0.408 -9.749 1.00 0.00 H new ATOM 956 N ALA A 60 -2.299 -0.461 -8.004 1.00 0.00 N ATOM 957 CA ALA A 60 -2.983 -1.566 -7.349 1.00 0.00 C ATOM 958 C ALA A 60 -4.200 -1.187 -6.512 1.00 0.00 C ATOM 959 O ALA A 60 -5.212 -1.864 -6.496 1.00 0.00 O ATOM 960 CB ALA A 60 -1.946 -2.275 -6.494 1.00 0.00 C ATOM 0 H ALA A 60 -1.398 -0.283 -7.560 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.400 -2.204 -8.128 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.412 -3.116 -5.980 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.139 -2.640 -7.129 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.542 -1.578 -5.759 1.00 0.00 H new ATOM 966 N LEU A 61 -4.056 -0.136 -5.716 1.00 0.00 N ATOM 967 CA LEU A 61 -5.009 0.440 -4.803 1.00 0.00 C ATOM 968 C LEU A 61 -6.124 1.127 -5.566 1.00 0.00 C ATOM 969 O LEU A 61 -7.269 0.704 -5.485 1.00 0.00 O ATOM 970 CB LEU A 61 -4.144 1.420 -4.004 1.00 0.00 C ATOM 971 CG LEU A 61 -4.794 1.959 -2.760 1.00 0.00 C ATOM 972 CD1 LEU A 61 -3.786 1.941 -1.612 1.00 0.00 C ATOM 973 CD2 LEU A 61 -5.429 3.320 -2.950 1.00 0.00 C ATOM 0 H LEU A 61 -3.176 0.380 -5.699 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.519 -0.280 -4.163 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.216 0.921 -3.726 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.875 2.256 -4.649 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.628 1.303 -2.510 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.256 2.332 -0.709 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.454 0.918 -1.435 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.928 2.561 -1.872 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.878 3.646 -2.012 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.667 4.037 -3.256 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.199 3.258 -3.719 1.00 0.00 H new ATOM 985 N ALA A 62 -5.750 2.003 -6.494 1.00 0.00 N ATOM 986 CA ALA A 62 -6.629 2.441 -7.583 1.00 0.00 C ATOM 987 C ALA A 62 -7.091 1.292 -8.493 1.00 0.00 C ATOM 988 O ALA A 62 -8.192 1.304 -9.048 1.00 0.00 O ATOM 989 CB ALA A 62 -6.027 3.596 -8.388 1.00 0.00 C ATOM 0 H ALA A 62 -4.825 2.433 -6.515 1.00 0.00 H new ATOM 0 HA ALA A 62 -7.527 2.820 -7.096 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.716 3.884 -9.182 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.856 4.448 -7.730 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.080 3.280 -8.826 1.00 0.00 H new ATOM 995 N GLY A 63 -6.232 0.282 -8.619 1.00 0.00 N ATOM 996 CA GLY A 63 -6.393 -0.983 -9.318 1.00 0.00 C ATOM 997 C GLY A 63 -7.663 -1.663 -8.837 1.00 0.00 C ATOM 998 O GLY A 63 -8.577 -1.927 -9.610 1.00 0.00 O ATOM 0 H GLY A 63 -5.310 0.341 -8.187 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.442 -0.814 -10.394 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -5.531 -1.625 -9.135 1.00 0.00 H new ATOM 1002 N LYS A 64 -7.698 -1.870 -7.517 1.00 0.00 N ATOM 1003 CA LYS A 64 -8.803 -2.392 -6.752 1.00 0.00 C ATOM 1004 C LYS A 64 -9.972 -1.420 -6.665 1.00 0.00 C ATOM 1005 O LYS A 64 -11.114 -1.833 -6.651 1.00 0.00 O ATOM 1006 CB LYS A 64 -8.319 -2.936 -5.406 1.00 0.00 C ATOM 1007 CG LYS A 64 -9.250 -4.073 -4.947 1.00 0.00 C ATOM 1008 CD LYS A 64 -8.666 -5.453 -5.303 1.00 0.00 C ATOM 1009 CE LYS A 64 -9.665 -6.612 -5.143 1.00 0.00 C ATOM 1010 NZ LYS A 64 -9.874 -7.014 -3.728 1.00 0.00 N ATOM 0 H LYS A 64 -6.893 -1.658 -6.927 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.219 -3.244 -7.289 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -7.297 -3.303 -5.496 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -8.307 -2.139 -4.663 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -9.404 -4.008 -3.870 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -10.227 -3.957 -5.416 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -8.311 -5.432 -6.333 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -7.799 -5.644 -4.671 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -10.622 -6.321 -5.576 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -9.307 -7.472 -5.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -10.664 -7.689 -3.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -9.009 -7.462 -3.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -10.096 -6.173 -3.157 1.00 0.00 H new ATOM 1024 N ARG A 65 -9.723 -0.118 -6.606 1.00 0.00 N ATOM 1025 CA ARG A 65 -10.744 0.894 -6.380 1.00 0.00 C ATOM 1026 C ARG A 65 -11.827 0.764 -7.425 1.00 0.00 C ATOM 1027 O ARG A 65 -12.959 0.504 -7.069 1.00 0.00 O ATOM 1028 CB ARG A 65 -10.101 2.273 -6.360 1.00 0.00 C ATOM 1029 CG ARG A 65 -10.767 3.347 -5.497 1.00 0.00 C ATOM 1030 CD ARG A 65 -9.609 4.123 -4.877 1.00 0.00 C ATOM 1031 NE ARG A 65 -10.041 5.400 -4.309 1.00 0.00 N ATOM 1032 CZ ARG A 65 -10.223 6.550 -4.928 1.00 0.00 C ATOM 1033 NH1 ARG A 65 -10.050 6.707 -6.212 1.00 0.00 N ATOM 1034 NH2 ARG A 65 -10.595 7.581 -4.226 1.00 0.00 N ATOM 0 H ARG A 65 -8.786 0.271 -6.716 1.00 0.00 H new ATOM 0 HA ARG A 65 -11.218 0.749 -5.409 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -9.071 2.160 -6.022 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -10.061 2.641 -7.385 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -11.403 3.998 -6.097 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -11.400 2.901 -4.730 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -9.145 3.519 -4.097 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -8.847 4.304 -5.636 1.00 0.00 H new ATOM 0 HE ARG A 65 -10.225 5.401 -3.306 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -9.760 5.917 -6.788 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -10.205 7.620 -6.640 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -10.739 7.488 -3.220 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -10.742 8.482 -4.681 1.00 0.00 H new ATOM 1048 N ALA A 66 -11.450 0.679 -8.692 1.00 0.00 N ATOM 1049 CA ALA A 66 -12.406 0.474 -9.783 1.00 0.00 C ATOM 1050 C ALA A 66 -13.236 -0.810 -9.633 1.00 0.00 C ATOM 1051 O ALA A 66 -14.411 -0.849 -10.009 1.00 0.00 O ATOM 1052 CB ALA A 66 -11.696 0.404 -11.119 1.00 0.00 C ATOM 0 H ALA A 66 -10.479 0.749 -8.997 1.00 0.00 H new ATOM 0 HA ALA A 66 -13.077 1.331 -9.737 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -12.428 0.251 -11.912 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -11.159 1.336 -11.295 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -10.989 -0.426 -11.113 1.00 0.00 H new ATOM 1058 N GLU A 67 -12.608 -1.874 -9.111 1.00 0.00 N ATOM 1059 CA GLU A 67 -13.250 -3.169 -8.891 1.00 0.00 C ATOM 1060 C GLU A 67 -14.303 -3.051 -7.820 1.00 0.00 C ATOM 1061 O GLU A 67 -15.403 -3.590 -7.884 1.00 0.00 O ATOM 1062 CB GLU A 67 -12.230 -4.166 -8.346 1.00 0.00 C ATOM 1063 CG GLU A 67 -10.953 -4.237 -9.146 1.00 0.00 C ATOM 1064 CD GLU A 67 -11.134 -4.997 -10.455 1.00 0.00 C ATOM 1065 OE1 GLU A 67 -11.140 -6.250 -10.416 1.00 0.00 O ATOM 1066 OE2 GLU A 67 -11.244 -4.347 -11.521 1.00 0.00 O ATOM 0 H GLU A 67 -11.628 -1.854 -8.828 1.00 0.00 H new ATOM 0 HA GLU A 67 -13.673 -3.492 -9.842 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -11.988 -3.897 -7.318 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.685 -5.156 -8.318 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.604 -3.227 -9.360 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.180 -4.722 -8.550 1.00 0.00 H new ATOM 1073 N LEU A 68 -13.856 -2.412 -6.756 1.00 0.00 N ATOM 1074 CA LEU A 68 -14.576 -2.170 -5.543 1.00 0.00 C ATOM 1075 C LEU A 68 -15.755 -1.214 -5.665 1.00 0.00 C ATOM 1076 O LEU A 68 -16.730 -1.270 -4.925 1.00 0.00 O ATOM 1077 CB LEU A 68 -13.561 -1.894 -4.487 1.00 0.00 C ATOM 1078 CG LEU A 68 -13.067 -3.209 -3.915 1.00 0.00 C ATOM 1079 CD1 LEU A 68 -12.017 -2.813 -2.983 1.00 0.00 C ATOM 1080 CD2 LEU A 68 -14.097 -3.870 -2.994 1.00 0.00 C ATOM 0 H LEU A 68 -12.913 -2.025 -6.725 1.00 0.00 H new ATOM 0 HA LEU A 68 -15.139 -3.054 -5.242 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -12.728 -1.330 -4.905 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -13.997 -1.281 -3.698 1.00 0.00 H new ATOM 0 HG LEU A 68 -12.803 -3.879 -4.733 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -11.593 -3.701 -2.514 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -11.234 -2.279 -3.522 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -12.438 -2.163 -2.216 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -13.694 -4.808 -2.611 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -14.320 -3.204 -2.161 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -15.011 -4.069 -3.554 1.00 0.00 H new ATOM 1092 N GLU A 69 -15.582 -0.260 -6.568 1.00 0.00 N ATOM 1093 CA GLU A 69 -16.487 0.754 -7.040 1.00 0.00 C ATOM 1094 C GLU A 69 -17.540 0.189 -7.984 1.00 0.00 C ATOM 1095 O GLU A 69 -18.678 0.653 -8.019 1.00 0.00 O ATOM 1096 CB GLU A 69 -15.604 1.736 -7.788 1.00 0.00 C ATOM 1097 CG GLU A 69 -15.216 3.010 -7.037 1.00 0.00 C ATOM 1098 CD GLU A 69 -14.679 4.047 -8.012 1.00 0.00 C ATOM 1099 OE1 GLU A 69 -15.495 4.785 -8.602 1.00 0.00 O ATOM 1100 OE2 GLU A 69 -13.443 4.133 -8.177 1.00 0.00 O ATOM 0 H GLU A 69 -14.683 -0.177 -7.042 1.00 0.00 H new ATOM 0 HA GLU A 69 -17.034 1.206 -6.213 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -14.690 1.220 -8.080 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -16.115 2.023 -8.707 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -16.083 3.409 -6.510 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.462 2.782 -6.284 1.00 0.00 H new ATOM 1107 N ASP A 70 -17.158 -0.852 -8.729 1.00 0.00 N ATOM 1108 CA ASP A 70 -18.143 -1.790 -9.303 1.00 0.00 C ATOM 1109 C ASP A 70 -18.840 -2.561 -8.191 1.00 0.00 C ATOM 1110 O ASP A 70 -20.012 -2.919 -8.323 1.00 0.00 O ATOM 1111 CB ASP A 70 -17.500 -2.817 -10.249 1.00 0.00 C ATOM 1112 CG ASP A 70 -18.471 -3.325 -11.335 1.00 0.00 C ATOM 1113 OD1 ASP A 70 -18.765 -2.569 -12.293 1.00 0.00 O ATOM 1114 OD2 ASP A 70 -18.934 -4.488 -11.240 1.00 0.00 O ATOM 0 H ASP A 70 -16.187 -1.070 -8.950 1.00 0.00 H new ATOM 0 HA ASP A 70 -18.849 -1.183 -9.870 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -16.630 -2.367 -10.728 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -17.140 -3.665 -9.666 1.00 0.00 H new ATOM 1119 N SER A 71 -18.121 -2.743 -7.078 1.00 0.00 N ATOM 1120 CA SER A 71 -18.659 -3.433 -5.905 1.00 0.00 C ATOM 1121 C SER A 71 -19.334 -2.483 -4.881 1.00 0.00 C ATOM 1122 O SER A 71 -19.478 -2.832 -3.703 1.00 0.00 O ATOM 1123 CB SER A 71 -17.590 -4.329 -5.249 1.00 0.00 C ATOM 1124 OG SER A 71 -18.171 -5.299 -4.396 1.00 0.00 O ATOM 0 H SER A 71 -17.160 -2.419 -6.967 1.00 0.00 H new ATOM 0 HA SER A 71 -19.460 -4.076 -6.269 1.00 0.00 H new ATOM 0 HB2 SER A 71 -17.008 -4.828 -6.024 1.00 0.00 H new ATOM 0 HB3 SER A 71 -16.897 -3.711 -4.678 1.00 0.00 H new ATOM 0 HG SER A 71 -18.804 -4.863 -3.788 1.00 0.00 H new ATOM 1130 N ASP A 72 -19.710 -1.264 -5.307 1.00 0.00 N ATOM 1131 CA ASP A 72 -20.192 -0.153 -4.454 1.00 0.00 C ATOM 1132 C ASP A 72 -21.468 -0.483 -3.641 1.00 0.00 C ATOM 1133 O ASP A 72 -21.738 0.151 -2.614 1.00 0.00 O ATOM 1134 CB ASP A 72 -20.432 1.099 -5.319 1.00 0.00 C ATOM 1135 CG ASP A 72 -20.996 2.321 -4.562 1.00 0.00 C ATOM 1136 OD1 ASP A 72 -20.235 2.962 -3.796 1.00 0.00 O ATOM 1137 OD2 ASP A 72 -22.185 2.671 -4.770 1.00 0.00 O ATOM 0 H ASP A 72 -19.687 -1.011 -6.295 1.00 0.00 H new ATOM 0 HA ASP A 72 -19.407 0.027 -3.720 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -19.490 1.384 -5.787 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -21.121 0.839 -6.123 1.00 0.00 H new