USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 488 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 162 SER OG : rot 39:sc= 0.0659 USER MOD Single : A 167 ASN : amide:sc= 0.74 K(o=0.74,f=-5.3!) USER MOD Single : A 169 THR OG1 : rot -166:sc= 1.2 USER MOD Single : A 170 TYR OH : rot 180:sc= 0 USER MOD Single : A 172 SER OG : rot 75:sc= 0.0187 USER MOD Single : A 173 THR OG1 : rot -87:sc= 1.59 USER MOD Single : A 178 THR OG1 : rot 90:sc= 1.25 USER MOD Single : A 182 SER OG : rot 180:sc= 0.574 USER MOD Single : A 183 GLN : amide:sc= 1.12 K(o=1.1,f=0) USER MOD Single : A 186 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 202 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 204 THR OG1 : rot -100:sc= 0.959 USER MOD Single : A 208 THR OG1 : rot 170:sc= 0 USER MOD Single : A 209 ASN : amide:sc= 0.616 K(o=0.62,f=-5.8!) USER MOD Single : A 210 SER OG : rot 180:sc= 0.155 USER MOD Single : A 219 GLN : amide:sc= 0.925 K(o=0.93,f=0) USER MOD Single : A 220 TYR OH : rot -96:sc= 0.204 USER MOD Single : A 226 MET CE :methyl 174:sc= 0 (180deg=-0.0511) USER MOD Single : A 229 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 313 N SER A 162 50.966 18.969 9.832 1.00 0.00 N ATOM 314 CA SER A 162 51.774 17.833 10.308 1.00 0.00 C ATOM 315 C SER A 162 50.981 16.518 10.471 1.00 0.00 C ATOM 316 O SER A 162 49.747 16.488 10.514 1.00 0.00 O ATOM 317 CB SER A 162 52.458 18.203 11.636 1.00 0.00 C ATOM 318 OG SER A 162 53.306 19.327 11.460 1.00 0.00 O ATOM 0 HA SER A 162 52.516 17.641 9.533 1.00 0.00 H new ATOM 0 HB2 SER A 162 51.704 18.423 12.392 1.00 0.00 H new ATOM 0 HB3 SER A 162 53.038 17.356 12.002 1.00 0.00 H new ATOM 0 HG SER A 162 52.878 19.969 10.856 1.00 0.00 H new ATOM 324 N ILE A 163 51.717 15.408 10.589 1.00 0.00 N ATOM 325 CA ILE A 163 51.195 14.039 10.721 1.00 0.00 C ATOM 326 C ILE A 163 51.876 13.328 11.901 1.00 0.00 C ATOM 327 O ILE A 163 53.029 13.632 12.216 1.00 0.00 O ATOM 328 CB ILE A 163 51.366 13.259 9.390 1.00 0.00 C ATOM 329 CG1 ILE A 163 52.845 12.995 9.036 1.00 0.00 C ATOM 330 CG2 ILE A 163 50.701 13.990 8.203 1.00 0.00 C ATOM 331 CD1 ILE A 163 53.046 11.728 8.208 1.00 0.00 C ATOM 0 H ILE A 163 52.737 15.438 10.596 1.00 0.00 H new ATOM 0 HA ILE A 163 50.126 14.080 10.932 1.00 0.00 H new ATOM 0 HB ILE A 163 50.870 12.303 9.557 1.00 0.00 H new ATOM 0 HG12 ILE A 163 53.238 13.849 8.484 1.00 0.00 H new ATOM 0 HG13 ILE A 163 53.424 12.916 9.956 1.00 0.00 H new ATOM 0 HG21 ILE A 163 50.845 13.410 7.292 1.00 0.00 H new ATOM 0 HG22 ILE A 163 49.634 14.103 8.397 1.00 0.00 H new ATOM 0 HG23 ILE A 163 51.154 14.974 8.082 1.00 0.00 H new ATOM 0 HD11 ILE A 163 54.107 11.599 7.992 1.00 0.00 H new ATOM 0 HD12 ILE A 163 52.682 10.866 8.767 1.00 0.00 H new ATOM 0 HD13 ILE A 163 52.493 11.813 7.272 1.00 0.00 H new ATOM 343 N PHE A 164 51.182 12.374 12.522 1.00 0.00 N ATOM 344 CA PHE A 164 51.578 11.662 13.745 1.00 0.00 C ATOM 345 C PHE A 164 51.373 10.153 13.555 1.00 0.00 C ATOM 346 O PHE A 164 50.403 9.759 12.929 1.00 0.00 O ATOM 347 CB PHE A 164 50.713 12.170 14.914 1.00 0.00 C ATOM 348 CG PHE A 164 51.041 13.573 15.386 1.00 0.00 C ATOM 349 CD1 PHE A 164 50.560 14.695 14.681 1.00 0.00 C ATOM 350 CD2 PHE A 164 51.825 13.758 16.540 1.00 0.00 C ATOM 351 CE1 PHE A 164 50.890 15.992 15.110 1.00 0.00 C ATOM 352 CE2 PHE A 164 52.146 15.056 16.975 1.00 0.00 C ATOM 353 CZ PHE A 164 51.684 16.173 16.256 1.00 0.00 C ATOM 0 H PHE A 164 50.279 12.057 12.169 1.00 0.00 H new ATOM 0 HA PHE A 164 52.631 11.846 13.960 1.00 0.00 H new ATOM 0 HB2 PHE A 164 49.666 12.139 14.613 1.00 0.00 H new ATOM 0 HB3 PHE A 164 50.824 11.484 15.754 1.00 0.00 H new ATOM 0 HD1 PHE A 164 49.937 14.558 13.810 1.00 0.00 H new ATOM 0 HD2 PHE A 164 52.181 12.901 17.093 1.00 0.00 H new ATOM 0 HE1 PHE A 164 50.534 16.850 14.559 1.00 0.00 H new ATOM 0 HE2 PHE A 164 52.747 15.195 17.861 1.00 0.00 H new ATOM 0 HZ PHE A 164 51.939 17.170 16.584 1.00 0.00 H new ATOM 363 N VAL A 165 52.242 9.298 14.099 1.00 0.00 N ATOM 364 CA VAL A 165 52.206 7.828 13.897 1.00 0.00 C ATOM 365 C VAL A 165 52.506 7.085 15.197 1.00 0.00 C ATOM 366 O VAL A 165 53.441 7.444 15.908 1.00 0.00 O ATOM 367 CB VAL A 165 53.174 7.331 12.788 1.00 0.00 C ATOM 368 CG1 VAL A 165 52.548 7.334 11.394 1.00 0.00 C ATOM 369 CG2 VAL A 165 54.468 8.142 12.705 1.00 0.00 C ATOM 0 H VAL A 165 53.006 9.601 14.703 1.00 0.00 H new ATOM 0 HA VAL A 165 51.191 7.607 13.568 1.00 0.00 H new ATOM 0 HB VAL A 165 53.398 6.308 13.091 1.00 0.00 H new ATOM 0 HG11 VAL A 165 53.277 6.976 10.667 1.00 0.00 H new ATOM 0 HG12 VAL A 165 51.676 6.680 11.385 1.00 0.00 H new ATOM 0 HG13 VAL A 165 52.244 8.348 11.134 1.00 0.00 H new ATOM 0 HG21 VAL A 165 55.098 7.742 11.911 1.00 0.00 H new ATOM 0 HG22 VAL A 165 54.231 9.184 12.490 1.00 0.00 H new ATOM 0 HG23 VAL A 165 54.998 8.079 13.655 1.00 0.00 H new ATOM 379 N GLY A 166 51.710 6.053 15.501 1.00 0.00 N ATOM 380 CA GLY A 166 51.769 5.310 16.772 1.00 0.00 C ATOM 381 C GLY A 166 52.562 4.006 16.684 1.00 0.00 C ATOM 382 O GLY A 166 53.662 3.902 17.220 1.00 0.00 O ATOM 0 H GLY A 166 50.995 5.703 14.863 1.00 0.00 H new ATOM 0 HA2 GLY A 166 52.217 5.947 17.535 1.00 0.00 H new ATOM 0 HA3 GLY A 166 50.754 5.086 17.100 1.00 0.00 H new ATOM 386 N ASN A 167 51.999 3.000 16.009 1.00 0.00 N ATOM 387 CA ASN A 167 52.444 1.594 16.057 1.00 0.00 C ATOM 388 C ASN A 167 53.614 1.263 15.094 1.00 0.00 C ATOM 389 O ASN A 167 53.637 0.211 14.458 1.00 0.00 O ATOM 390 CB ASN A 167 51.199 0.710 15.854 1.00 0.00 C ATOM 391 CG ASN A 167 51.431 -0.778 16.123 1.00 0.00 C ATOM 392 OD1 ASN A 167 51.917 -1.182 17.173 1.00 0.00 O ATOM 393 ND2 ASN A 167 51.072 -1.639 15.186 1.00 0.00 N ATOM 0 H ASN A 167 51.197 3.140 15.394 1.00 0.00 H new ATOM 0 HA ASN A 167 52.886 1.388 17.032 1.00 0.00 H new ATOM 0 HB2 ASN A 167 50.405 1.066 16.510 1.00 0.00 H new ATOM 0 HB3 ASN A 167 50.845 0.831 14.830 1.00 0.00 H new ATOM 0 HD21 ASN A 167 51.200 -2.640 15.337 1.00 0.00 H new ATOM 0 HD22 ASN A 167 50.668 -1.303 14.312 1.00 0.00 H new ATOM 400 N LEU A 168 54.588 2.165 14.942 1.00 0.00 N ATOM 401 CA LEU A 168 55.880 1.850 14.304 1.00 0.00 C ATOM 402 C LEU A 168 56.782 1.035 15.267 1.00 0.00 C ATOM 403 O LEU A 168 56.475 0.928 16.459 1.00 0.00 O ATOM 404 CB LEU A 168 56.582 3.160 13.856 1.00 0.00 C ATOM 405 CG LEU A 168 56.855 4.196 14.977 1.00 0.00 C ATOM 406 CD1 LEU A 168 58.217 4.874 14.786 1.00 0.00 C ATOM 407 CD2 LEU A 168 55.784 5.296 14.984 1.00 0.00 C ATOM 0 H LEU A 168 54.509 3.133 15.255 1.00 0.00 H new ATOM 0 HA LEU A 168 55.698 1.236 13.422 1.00 0.00 H new ATOM 0 HB2 LEU A 168 57.532 2.900 13.389 1.00 0.00 H new ATOM 0 HB3 LEU A 168 55.969 3.635 13.090 1.00 0.00 H new ATOM 0 HG LEU A 168 56.839 3.648 15.919 1.00 0.00 H new ATOM 0 HD11 LEU A 168 58.380 5.595 15.587 1.00 0.00 H new ATOM 0 HD12 LEU A 168 59.005 4.121 14.810 1.00 0.00 H new ATOM 0 HD13 LEU A 168 58.236 5.389 13.825 1.00 0.00 H new ATOM 0 HD21 LEU A 168 56.000 6.009 15.780 1.00 0.00 H new ATOM 0 HD22 LEU A 168 55.786 5.812 14.024 1.00 0.00 H new ATOM 0 HD23 LEU A 168 54.804 4.849 15.153 1.00 0.00 H new ATOM 419 N THR A 169 57.916 0.507 14.779 1.00 0.00 N ATOM 420 CA THR A 169 58.989 -0.056 15.625 1.00 0.00 C ATOM 421 C THR A 169 59.769 1.086 16.265 1.00 0.00 C ATOM 422 O THR A 169 60.287 1.945 15.557 1.00 0.00 O ATOM 423 CB THR A 169 59.919 -0.947 14.793 1.00 0.00 C ATOM 424 OG1 THR A 169 59.195 -2.069 14.367 1.00 0.00 O ATOM 425 CG2 THR A 169 61.112 -1.467 15.592 1.00 0.00 C ATOM 0 H THR A 169 58.119 0.457 13.781 1.00 0.00 H new ATOM 0 HA THR A 169 58.548 -0.674 16.407 1.00 0.00 H new ATOM 0 HB THR A 169 60.290 -0.340 13.967 1.00 0.00 H new ATOM 0 HG1 THR A 169 59.815 -2.750 14.030 1.00 0.00 H new ATOM 0 HG21 THR A 169 61.735 -2.091 14.951 1.00 0.00 H new ATOM 0 HG22 THR A 169 61.699 -0.625 15.959 1.00 0.00 H new ATOM 0 HG23 THR A 169 60.755 -2.056 16.437 1.00 0.00 H new ATOM 433 N TYR A 170 59.880 1.107 17.594 1.00 0.00 N ATOM 434 CA TYR A 170 60.380 2.283 18.332 1.00 0.00 C ATOM 435 C TYR A 170 61.886 2.578 18.157 1.00 0.00 C ATOM 436 O TYR A 170 62.332 3.677 18.488 1.00 0.00 O ATOM 437 CB TYR A 170 60.026 2.151 19.822 1.00 0.00 C ATOM 438 CG TYR A 170 58.562 1.907 20.171 1.00 0.00 C ATOM 439 CD1 TYR A 170 57.516 2.432 19.381 1.00 0.00 C ATOM 440 CD2 TYR A 170 58.249 1.161 21.326 1.00 0.00 C ATOM 441 CE1 TYR A 170 56.172 2.197 19.730 1.00 0.00 C ATOM 442 CE2 TYR A 170 56.909 0.925 21.684 1.00 0.00 C ATOM 443 CZ TYR A 170 55.863 1.440 20.882 1.00 0.00 C ATOM 444 OH TYR A 170 54.563 1.201 21.214 1.00 0.00 O ATOM 0 H TYR A 170 59.630 0.319 18.191 1.00 0.00 H new ATOM 0 HA TYR A 170 59.876 3.142 17.890 1.00 0.00 H new ATOM 0 HB2 TYR A 170 60.613 1.332 20.238 1.00 0.00 H new ATOM 0 HB3 TYR A 170 60.347 3.062 20.327 1.00 0.00 H new ATOM 0 HD1 TYR A 170 57.748 3.017 18.504 1.00 0.00 H new ATOM 0 HD2 TYR A 170 59.045 0.767 21.941 1.00 0.00 H new ATOM 0 HE1 TYR A 170 55.377 2.596 19.117 1.00 0.00 H new ATOM 0 HE2 TYR A 170 56.679 0.352 22.570 1.00 0.00 H new ATOM 0 HH TYR A 170 54.528 0.664 22.033 1.00 0.00 H new ATOM 454 N ASP A 171 62.667 1.635 17.611 1.00 0.00 N ATOM 455 CA ASP A 171 64.066 1.854 17.197 1.00 0.00 C ATOM 456 C ASP A 171 64.214 2.349 15.736 1.00 0.00 C ATOM 457 O ASP A 171 65.324 2.641 15.289 1.00 0.00 O ATOM 458 CB ASP A 171 64.932 0.621 17.514 1.00 0.00 C ATOM 459 CG ASP A 171 64.548 -0.645 16.734 1.00 0.00 C ATOM 460 OD1 ASP A 171 64.899 -0.749 15.534 1.00 0.00 O ATOM 461 OD2 ASP A 171 63.926 -1.547 17.343 1.00 0.00 O ATOM 0 H ASP A 171 62.342 0.683 17.441 1.00 0.00 H new ATOM 0 HA ASP A 171 64.447 2.681 17.796 1.00 0.00 H new ATOM 0 HB2 ASP A 171 65.974 0.861 17.302 1.00 0.00 H new ATOM 0 HB3 ASP A 171 64.864 0.410 18.581 1.00 0.00 H new ATOM 466 N SER A 172 63.104 2.528 15.010 1.00 0.00 N ATOM 467 CA SER A 172 63.069 3.348 13.793 1.00 0.00 C ATOM 468 C SER A 172 63.383 4.819 14.110 1.00 0.00 C ATOM 469 O SER A 172 62.908 5.373 15.111 1.00 0.00 O ATOM 470 CB SER A 172 61.691 3.254 13.132 1.00 0.00 C ATOM 471 OG SER A 172 61.676 3.958 11.903 1.00 0.00 O ATOM 0 H SER A 172 62.205 2.109 15.249 1.00 0.00 H new ATOM 0 HA SER A 172 63.829 2.967 13.110 1.00 0.00 H new ATOM 0 HB2 SER A 172 61.435 2.208 12.961 1.00 0.00 H new ATOM 0 HB3 SER A 172 60.933 3.663 13.800 1.00 0.00 H new ATOM 0 HG SER A 172 62.152 3.438 11.222 1.00 0.00 H new ATOM 477 N THR A 173 64.189 5.459 13.255 1.00 0.00 N ATOM 478 CA THR A 173 64.623 6.857 13.400 1.00 0.00 C ATOM 479 C THR A 173 63.765 7.785 12.530 1.00 0.00 C ATOM 480 O THR A 173 63.184 7.327 11.541 1.00 0.00 O ATOM 481 CB THR A 173 66.109 7.005 13.040 1.00 0.00 C ATOM 482 OG1 THR A 173 66.270 6.772 11.669 1.00 0.00 O ATOM 483 CG2 THR A 173 67.019 6.051 13.814 1.00 0.00 C ATOM 0 H THR A 173 64.568 5.009 12.422 1.00 0.00 H new ATOM 0 HA THR A 173 64.492 7.146 14.443 1.00 0.00 H new ATOM 0 HB THR A 173 66.403 8.019 13.313 1.00 0.00 H new ATOM 0 HG1 THR A 173 66.391 5.812 11.512 1.00 0.00 H new ATOM 0 HG21 THR A 173 68.054 6.209 13.511 1.00 0.00 H new ATOM 0 HG22 THR A 173 66.921 6.241 14.883 1.00 0.00 H new ATOM 0 HG23 THR A 173 66.732 5.021 13.601 1.00 0.00 H new ATOM 491 N PRO A 174 63.721 9.101 12.818 1.00 0.00 N ATOM 492 CA PRO A 174 63.155 10.075 11.891 1.00 0.00 C ATOM 493 C PRO A 174 63.933 10.151 10.574 1.00 0.00 C ATOM 494 O PRO A 174 63.359 10.609 9.594 1.00 0.00 O ATOM 495 CB PRO A 174 63.197 11.415 12.626 1.00 0.00 C ATOM 496 CG PRO A 174 64.345 11.251 13.613 1.00 0.00 C ATOM 497 CD PRO A 174 64.244 9.776 13.999 1.00 0.00 C ATOM 0 HA PRO A 174 62.141 9.791 11.610 1.00 0.00 H new ATOM 0 HB2 PRO A 174 63.375 12.243 11.939 1.00 0.00 H new ATOM 0 HB3 PRO A 174 62.256 11.621 13.137 1.00 0.00 H new ATOM 0 HG2 PRO A 174 65.307 11.486 13.158 1.00 0.00 H new ATOM 0 HG3 PRO A 174 64.233 11.905 14.478 1.00 0.00 H new ATOM 0 HD2 PRO A 174 65.218 9.376 14.281 1.00 0.00 H new ATOM 0 HD3 PRO A 174 63.583 9.638 14.855 1.00 0.00 H new ATOM 505 N GLU A 175 65.191 9.693 10.506 1.00 0.00 N ATOM 506 CA GLU A 175 65.920 9.552 9.240 1.00 0.00 C ATOM 507 C GLU A 175 65.327 8.422 8.379 1.00 0.00 C ATOM 508 O GLU A 175 65.082 8.630 7.189 1.00 0.00 O ATOM 509 CB GLU A 175 67.418 9.312 9.481 1.00 0.00 C ATOM 510 CG GLU A 175 68.089 10.486 10.205 1.00 0.00 C ATOM 511 CD GLU A 175 69.597 10.250 10.362 1.00 0.00 C ATOM 512 OE1 GLU A 175 70.366 10.575 9.426 1.00 0.00 O ATOM 513 OE2 GLU A 175 70.028 9.747 11.428 1.00 0.00 O ATOM 0 H GLU A 175 65.729 9.411 11.325 1.00 0.00 H new ATOM 0 HA GLU A 175 65.810 10.490 8.696 1.00 0.00 H new ATOM 0 HB2 GLU A 175 67.548 8.404 10.070 1.00 0.00 H new ATOM 0 HB3 GLU A 175 67.915 9.146 8.525 1.00 0.00 H new ATOM 0 HG2 GLU A 175 67.918 11.407 9.647 1.00 0.00 H new ATOM 0 HG3 GLU A 175 67.635 10.619 11.187 1.00 0.00 H new ATOM 520 N ASP A 176 65.022 7.261 8.977 1.00 0.00 N ATOM 521 CA ASP A 176 64.307 6.168 8.304 1.00 0.00 C ATOM 522 C ASP A 176 62.928 6.641 7.810 1.00 0.00 C ATOM 523 O ASP A 176 62.573 6.422 6.648 1.00 0.00 O ATOM 524 CB ASP A 176 64.124 4.959 9.236 1.00 0.00 C ATOM 525 CG ASP A 176 65.435 4.371 9.773 1.00 0.00 C ATOM 526 OD1 ASP A 176 66.283 3.934 8.958 1.00 0.00 O ATOM 527 OD2 ASP A 176 65.601 4.333 11.017 1.00 0.00 O ATOM 0 H ASP A 176 65.266 7.053 9.945 1.00 0.00 H new ATOM 0 HA ASP A 176 64.913 5.864 7.451 1.00 0.00 H new ATOM 0 HB2 ASP A 176 63.501 5.256 10.079 1.00 0.00 H new ATOM 0 HB3 ASP A 176 63.583 4.180 8.699 1.00 0.00 H new ATOM 532 N LEU A 177 62.182 7.352 8.669 1.00 0.00 N ATOM 533 CA LEU A 177 60.912 7.984 8.319 1.00 0.00 C ATOM 534 C LEU A 177 61.054 9.093 7.266 1.00 0.00 C ATOM 535 O LEU A 177 60.114 9.302 6.502 1.00 0.00 O ATOM 536 CB LEU A 177 60.204 8.493 9.597 1.00 0.00 C ATOM 537 CG LEU A 177 58.909 7.703 9.846 1.00 0.00 C ATOM 538 CD1 LEU A 177 59.184 6.291 10.383 1.00 0.00 C ATOM 539 CD2 LEU A 177 57.947 8.439 10.784 1.00 0.00 C ATOM 0 H LEU A 177 62.453 7.503 9.641 1.00 0.00 H new ATOM 0 HA LEU A 177 60.290 7.221 7.850 1.00 0.00 H new ATOM 0 HB2 LEU A 177 60.870 8.391 10.454 1.00 0.00 H new ATOM 0 HB3 LEU A 177 59.976 9.554 9.495 1.00 0.00 H new ATOM 0 HG LEU A 177 58.430 7.612 8.871 1.00 0.00 H new ATOM 0 HD11 LEU A 177 58.239 5.772 10.543 1.00 0.00 H new ATOM 0 HD12 LEU A 177 59.784 5.737 9.661 1.00 0.00 H new ATOM 0 HD13 LEU A 177 59.725 6.360 11.327 1.00 0.00 H new ATOM 0 HD21 LEU A 177 57.048 7.839 10.927 1.00 0.00 H new ATOM 0 HD22 LEU A 177 58.431 8.603 11.747 1.00 0.00 H new ATOM 0 HD23 LEU A 177 57.676 9.400 10.346 1.00 0.00 H new ATOM 551 N THR A 178 62.208 9.765 7.167 1.00 0.00 N ATOM 552 CA THR A 178 62.455 10.797 6.147 1.00 0.00 C ATOM 553 C THR A 178 62.726 10.144 4.802 1.00 0.00 C ATOM 554 O THR A 178 62.075 10.522 3.835 1.00 0.00 O ATOM 555 CB THR A 178 63.565 11.770 6.564 1.00 0.00 C ATOM 556 OG1 THR A 178 63.123 12.476 7.698 1.00 0.00 O ATOM 557 CG2 THR A 178 63.855 12.820 5.491 1.00 0.00 C ATOM 0 H THR A 178 62.999 9.610 7.792 1.00 0.00 H new ATOM 0 HA THR A 178 61.556 11.405 6.049 1.00 0.00 H new ATOM 0 HB THR A 178 64.465 11.182 6.742 1.00 0.00 H new ATOM 0 HG1 THR A 178 63.378 11.987 8.508 1.00 0.00 H new ATOM 0 HG21 THR A 178 64.648 13.483 5.836 1.00 0.00 H new ATOM 0 HG22 THR A 178 64.170 12.324 4.573 1.00 0.00 H new ATOM 0 HG23 THR A 178 62.954 13.402 5.298 1.00 0.00 H new ATOM 565 N GLU A 179 63.594 9.134 4.720 1.00 0.00 N ATOM 566 CA GLU A 179 63.811 8.396 3.463 1.00 0.00 C ATOM 567 C GLU A 179 62.516 7.745 2.940 1.00 0.00 C ATOM 568 O GLU A 179 62.312 7.650 1.728 1.00 0.00 O ATOM 569 CB GLU A 179 64.894 7.320 3.628 1.00 0.00 C ATOM 570 CG GLU A 179 66.271 7.927 3.904 1.00 0.00 C ATOM 571 CD GLU A 179 67.377 6.868 3.790 1.00 0.00 C ATOM 572 OE1 GLU A 179 67.631 6.133 4.775 1.00 0.00 O ATOM 573 OE2 GLU A 179 68.007 6.767 2.710 1.00 0.00 O ATOM 0 H GLU A 179 64.159 8.805 5.503 1.00 0.00 H new ATOM 0 HA GLU A 179 64.144 9.131 2.730 1.00 0.00 H new ATOM 0 HB2 GLU A 179 64.621 6.654 4.447 1.00 0.00 H new ATOM 0 HB3 GLU A 179 64.941 6.712 2.725 1.00 0.00 H new ATOM 0 HG2 GLU A 179 66.463 8.735 3.198 1.00 0.00 H new ATOM 0 HG3 GLU A 179 66.285 8.365 4.902 1.00 0.00 H new ATOM 580 N PHE A 180 61.621 7.355 3.850 1.00 0.00 N ATOM 581 CA PHE A 180 60.286 6.832 3.556 1.00 0.00 C ATOM 582 C PHE A 180 59.340 7.928 3.026 1.00 0.00 C ATOM 583 O PHE A 180 58.980 7.903 1.848 1.00 0.00 O ATOM 584 CB PHE A 180 59.769 6.148 4.829 1.00 0.00 C ATOM 585 CG PHE A 180 58.414 5.474 4.746 1.00 0.00 C ATOM 586 CD1 PHE A 180 58.231 4.354 3.911 1.00 0.00 C ATOM 587 CD2 PHE A 180 57.370 5.890 5.594 1.00 0.00 C ATOM 588 CE1 PHE A 180 57.032 3.620 3.967 1.00 0.00 C ATOM 589 CE2 PHE A 180 56.165 5.169 5.635 1.00 0.00 C ATOM 590 CZ PHE A 180 56.005 4.022 4.838 1.00 0.00 C ATOM 0 H PHE A 180 61.814 7.397 4.851 1.00 0.00 H new ATOM 0 HA PHE A 180 60.331 6.100 2.749 1.00 0.00 H new ATOM 0 HB2 PHE A 180 60.501 5.400 5.133 1.00 0.00 H new ATOM 0 HB3 PHE A 180 59.728 6.895 5.622 1.00 0.00 H new ATOM 0 HD1 PHE A 180 59.013 4.058 3.227 1.00 0.00 H new ATOM 0 HD2 PHE A 180 57.496 6.765 6.214 1.00 0.00 H new ATOM 0 HE1 PHE A 180 56.901 2.749 3.342 1.00 0.00 H new ATOM 0 HE2 PHE A 180 55.362 5.496 6.279 1.00 0.00 H new ATOM 0 HZ PHE A 180 55.091 3.449 4.895 1.00 0.00 H new ATOM 600 N PHE A 181 58.961 8.906 3.863 1.00 0.00 N ATOM 601 CA PHE A 181 57.958 9.927 3.534 1.00 0.00 C ATOM 602 C PHE A 181 58.420 10.966 2.502 1.00 0.00 C ATOM 603 O PHE A 181 57.624 11.442 1.696 1.00 0.00 O ATOM 604 CB PHE A 181 57.507 10.635 4.826 1.00 0.00 C ATOM 605 CG PHE A 181 56.461 9.904 5.653 1.00 0.00 C ATOM 606 CD1 PHE A 181 55.158 9.746 5.144 1.00 0.00 C ATOM 607 CD2 PHE A 181 56.749 9.453 6.956 1.00 0.00 C ATOM 608 CE1 PHE A 181 54.146 9.172 5.935 1.00 0.00 C ATOM 609 CE2 PHE A 181 55.745 8.853 7.737 1.00 0.00 C ATOM 610 CZ PHE A 181 54.437 8.728 7.236 1.00 0.00 C ATOM 0 H PHE A 181 59.349 9.010 4.801 1.00 0.00 H new ATOM 0 HA PHE A 181 57.128 9.398 3.065 1.00 0.00 H new ATOM 0 HB2 PHE A 181 58.384 10.802 5.451 1.00 0.00 H new ATOM 0 HB3 PHE A 181 57.112 11.616 4.561 1.00 0.00 H new ATOM 0 HD1 PHE A 181 54.933 10.068 4.138 1.00 0.00 H new ATOM 0 HD2 PHE A 181 57.745 9.568 7.357 1.00 0.00 H new ATOM 0 HE1 PHE A 181 53.145 9.073 5.542 1.00 0.00 H new ATOM 0 HE2 PHE A 181 55.980 8.487 8.726 1.00 0.00 H new ATOM 0 HZ PHE A 181 53.660 8.293 7.848 1.00 0.00 H new ATOM 620 N SER A 182 59.697 11.347 2.515 1.00 0.00 N ATOM 621 CA SER A 182 60.212 12.478 1.723 1.00 0.00 C ATOM 622 C SER A 182 60.323 12.193 0.211 1.00 0.00 C ATOM 623 O SER A 182 60.469 13.126 -0.578 1.00 0.00 O ATOM 624 CB SER A 182 61.532 12.987 2.322 1.00 0.00 C ATOM 625 OG SER A 182 61.748 14.363 2.044 1.00 0.00 O ATOM 0 H SER A 182 60.411 10.882 3.075 1.00 0.00 H new ATOM 0 HA SER A 182 59.468 13.272 1.791 1.00 0.00 H new ATOM 0 HB2 SER A 182 61.524 12.832 3.401 1.00 0.00 H new ATOM 0 HB3 SER A 182 62.361 12.402 1.922 1.00 0.00 H new ATOM 0 HG SER A 182 62.596 14.648 2.443 1.00 0.00 H new ATOM 631 N GLN A 183 60.163 10.931 -0.224 1.00 0.00 N ATOM 632 CA GLN A 183 60.074 10.560 -1.648 1.00 0.00 C ATOM 633 C GLN A 183 58.861 11.189 -2.370 1.00 0.00 C ATOM 634 O GLN A 183 58.832 11.255 -3.600 1.00 0.00 O ATOM 635 CB GLN A 183 60.042 9.031 -1.792 1.00 0.00 C ATOM 636 CG GLN A 183 61.462 8.457 -1.728 1.00 0.00 C ATOM 637 CD GLN A 183 61.439 6.933 -1.768 1.00 0.00 C ATOM 638 OE1 GLN A 183 61.290 6.297 -2.805 1.00 0.00 O ATOM 639 NE2 GLN A 183 61.577 6.298 -0.628 1.00 0.00 N ATOM 0 H GLN A 183 60.091 10.133 0.407 1.00 0.00 H new ATOM 0 HA GLN A 183 60.964 10.962 -2.132 1.00 0.00 H new ATOM 0 HB2 GLN A 183 59.432 8.598 -0.999 1.00 0.00 H new ATOM 0 HB3 GLN A 183 59.575 8.758 -2.739 1.00 0.00 H new ATOM 0 HG2 GLN A 183 62.050 8.837 -2.564 1.00 0.00 H new ATOM 0 HG3 GLN A 183 61.953 8.793 -0.814 1.00 0.00 H new ATOM 0 HE21 GLN A 183 61.701 6.824 0.237 1.00 0.00 H new ATOM 0 HE22 GLN A 183 61.560 5.278 -0.607 1.00 0.00 H new ATOM 648 N ILE A 184 57.870 11.671 -1.611 1.00 0.00 N ATOM 649 CA ILE A 184 56.642 12.318 -2.108 1.00 0.00 C ATOM 650 C ILE A 184 56.877 13.780 -2.553 1.00 0.00 C ATOM 651 O ILE A 184 56.110 14.321 -3.355 1.00 0.00 O ATOM 652 CB ILE A 184 55.579 12.212 -0.985 1.00 0.00 C ATOM 653 CG1 ILE A 184 55.272 10.742 -0.605 1.00 0.00 C ATOM 654 CG2 ILE A 184 54.278 12.963 -1.309 1.00 0.00 C ATOM 655 CD1 ILE A 184 54.506 9.931 -1.657 1.00 0.00 C ATOM 0 H ILE A 184 57.899 11.621 -0.593 1.00 0.00 H new ATOM 0 HA ILE A 184 56.295 11.809 -3.007 1.00 0.00 H new ATOM 0 HB ILE A 184 56.028 12.702 -0.121 1.00 0.00 H new ATOM 0 HG12 ILE A 184 56.214 10.235 -0.397 1.00 0.00 H new ATOM 0 HG13 ILE A 184 54.697 10.738 0.321 1.00 0.00 H new ATOM 0 HG21 ILE A 184 53.576 12.849 -0.483 1.00 0.00 H new ATOM 0 HG22 ILE A 184 54.496 14.021 -1.457 1.00 0.00 H new ATOM 0 HG23 ILE A 184 53.838 12.553 -2.218 1.00 0.00 H new ATOM 0 HD11 ILE A 184 54.345 8.918 -1.289 1.00 0.00 H new ATOM 0 HD12 ILE A 184 53.543 10.404 -1.851 1.00 0.00 H new ATOM 0 HD13 ILE A 184 55.085 9.894 -2.580 1.00 0.00 H new ATOM 667 N GLY A 185 57.941 14.420 -2.056 1.00 0.00 N ATOM 668 CA GLY A 185 58.229 15.846 -2.242 1.00 0.00 C ATOM 669 C GLY A 185 59.375 16.287 -1.344 1.00 0.00 C ATOM 670 O GLY A 185 60.537 16.193 -1.741 1.00 0.00 O ATOM 0 H GLY A 185 58.648 13.944 -1.495 1.00 0.00 H new ATOM 0 HA2 GLY A 185 58.484 16.037 -3.284 1.00 0.00 H new ATOM 0 HA3 GLY A 185 57.339 16.434 -2.018 1.00 0.00 H new ATOM 674 N LYS A 186 59.044 16.737 -0.125 1.00 0.00 N ATOM 675 CA LYS A 186 60.021 17.086 0.920 1.00 0.00 C ATOM 676 C LYS A 186 59.403 17.088 2.338 1.00 0.00 C ATOM 677 O LYS A 186 58.495 17.867 2.633 1.00 0.00 O ATOM 678 CB LYS A 186 60.688 18.433 0.562 1.00 0.00 C ATOM 679 CG LYS A 186 61.916 18.764 1.427 1.00 0.00 C ATOM 680 CD LYS A 186 62.694 19.937 0.802 1.00 0.00 C ATOM 681 CE LYS A 186 64.015 20.250 1.522 1.00 0.00 C ATOM 682 NZ LYS A 186 65.072 19.230 1.262 1.00 0.00 N ATOM 0 H LYS A 186 58.076 16.871 0.168 1.00 0.00 H new ATOM 0 HA LYS A 186 60.789 16.313 0.950 1.00 0.00 H new ATOM 0 HB2 LYS A 186 60.987 18.413 -0.486 1.00 0.00 H new ATOM 0 HB3 LYS A 186 59.954 19.232 0.668 1.00 0.00 H new ATOM 0 HG2 LYS A 186 61.601 19.022 2.438 1.00 0.00 H new ATOM 0 HG3 LYS A 186 62.562 17.890 1.508 1.00 0.00 H new ATOM 0 HD2 LYS A 186 62.904 19.707 -0.243 1.00 0.00 H new ATOM 0 HD3 LYS A 186 62.064 20.827 0.812 1.00 0.00 H new ATOM 0 HE2 LYS A 186 64.374 21.228 1.203 1.00 0.00 H new ATOM 0 HE3 LYS A 186 63.833 20.312 2.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 186 65.940 19.492 1.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 186 64.745 18.299 1.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 186 65.270 19.187 0.242 1.00 0.00 H new ATOM 696 N VAL A 187 59.932 16.250 3.236 1.00 0.00 N ATOM 697 CA VAL A 187 59.726 16.370 4.695 1.00 0.00 C ATOM 698 C VAL A 187 60.543 17.582 5.174 1.00 0.00 C ATOM 699 O VAL A 187 61.738 17.645 4.892 1.00 0.00 O ATOM 700 CB VAL A 187 60.188 15.087 5.434 1.00 0.00 C ATOM 701 CG1 VAL A 187 60.391 15.274 6.947 1.00 0.00 C ATOM 702 CG2 VAL A 187 59.175 13.956 5.222 1.00 0.00 C ATOM 0 H VAL A 187 60.522 15.460 2.974 1.00 0.00 H new ATOM 0 HA VAL A 187 58.666 16.502 4.913 1.00 0.00 H new ATOM 0 HB VAL A 187 61.157 14.840 5.001 1.00 0.00 H new ATOM 0 HG11 VAL A 187 60.714 14.332 7.390 1.00 0.00 H new ATOM 0 HG12 VAL A 187 61.151 16.036 7.121 1.00 0.00 H new ATOM 0 HG13 VAL A 187 59.452 15.587 7.404 1.00 0.00 H new ATOM 0 HG21 VAL A 187 59.513 13.062 5.746 1.00 0.00 H new ATOM 0 HG22 VAL A 187 58.203 14.260 5.612 1.00 0.00 H new ATOM 0 HG23 VAL A 187 59.088 13.741 4.157 1.00 0.00 H new ATOM 712 N VAL A 188 59.929 18.525 5.898 1.00 0.00 N ATOM 713 CA VAL A 188 60.659 19.668 6.491 1.00 0.00 C ATOM 714 C VAL A 188 61.397 19.234 7.762 1.00 0.00 C ATOM 715 O VAL A 188 62.489 19.730 8.034 1.00 0.00 O ATOM 716 CB VAL A 188 59.785 20.903 6.848 1.00 0.00 C ATOM 717 CG1 VAL A 188 60.555 22.192 6.523 1.00 0.00 C ATOM 718 CG2 VAL A 188 58.434 20.966 6.131 1.00 0.00 C ATOM 0 H VAL A 188 58.928 18.525 6.091 1.00 0.00 H new ATOM 0 HA VAL A 188 61.345 19.980 5.704 1.00 0.00 H new ATOM 0 HB VAL A 188 59.573 20.803 7.913 1.00 0.00 H new ATOM 0 HG11 VAL A 188 59.940 23.056 6.774 1.00 0.00 H new ATOM 0 HG12 VAL A 188 61.477 22.221 7.104 1.00 0.00 H new ATOM 0 HG13 VAL A 188 60.795 22.214 5.460 1.00 0.00 H new ATOM 0 HG21 VAL A 188 57.897 21.861 6.444 1.00 0.00 H new ATOM 0 HG22 VAL A 188 58.595 20.998 5.053 1.00 0.00 H new ATOM 0 HG23 VAL A 188 57.846 20.084 6.384 1.00 0.00 H new ATOM 728 N ARG A 189 60.804 18.292 8.515 1.00 0.00 N ATOM 729 CA ARG A 189 61.351 17.725 9.753 1.00 0.00 C ATOM 730 C ARG A 189 60.516 16.541 10.263 1.00 0.00 C ATOM 731 O ARG A 189 59.289 16.553 10.165 1.00 0.00 O ATOM 732 CB ARG A 189 61.440 18.817 10.846 1.00 0.00 C ATOM 733 CG ARG A 189 62.889 19.011 11.323 1.00 0.00 C ATOM 734 CD ARG A 189 62.997 20.042 12.453 1.00 0.00 C ATOM 735 NE ARG A 189 62.446 19.522 13.719 1.00 0.00 N ATOM 736 CZ ARG A 189 62.072 20.239 14.776 1.00 0.00 C ATOM 737 NH1 ARG A 189 62.145 21.555 14.792 1.00 0.00 N ATOM 738 NH2 ARG A 189 61.616 19.629 15.848 1.00 0.00 N ATOM 0 H ARG A 189 59.899 17.892 8.267 1.00 0.00 H new ATOM 0 HA ARG A 189 62.350 17.352 9.527 1.00 0.00 H new ATOM 0 HB2 ARG A 189 61.054 19.758 10.455 1.00 0.00 H new ATOM 0 HB3 ARG A 189 60.810 18.541 11.692 1.00 0.00 H new ATOM 0 HG2 ARG A 189 63.287 18.056 11.666 1.00 0.00 H new ATOM 0 HG3 ARG A 189 63.506 19.330 10.483 1.00 0.00 H new ATOM 0 HD2 ARG A 189 64.042 20.317 12.596 1.00 0.00 H new ATOM 0 HD3 ARG A 189 62.464 20.950 12.170 1.00 0.00 H new ATOM 0 HE ARG A 189 62.341 18.510 13.792 1.00 0.00 H new ATOM 0 HH11 ARG A 189 62.497 22.056 13.976 1.00 0.00 H new ATOM 0 HH12 ARG A 189 61.849 22.072 15.620 1.00 0.00 H new ATOM 0 HH21 ARG A 189 61.550 18.611 15.867 1.00 0.00 H new ATOM 0 HH22 ARG A 189 61.328 20.174 16.661 1.00 0.00 H new ATOM 752 N ALA A 190 61.196 15.565 10.861 1.00 0.00 N ATOM 753 CA ALA A 190 60.654 14.537 11.760 1.00 0.00 C ATOM 754 C ALA A 190 61.480 14.465 13.073 1.00 0.00 C ATOM 755 O ALA A 190 62.531 15.104 13.169 1.00 0.00 O ATOM 756 CB ALA A 190 60.627 13.209 10.985 1.00 0.00 C ATOM 0 H ALA A 190 62.202 15.461 10.725 1.00 0.00 H new ATOM 0 HA ALA A 190 59.638 14.779 12.071 1.00 0.00 H new ATOM 0 HB1 ALA A 190 60.229 12.422 11.625 1.00 0.00 H new ATOM 0 HB2 ALA A 190 59.994 13.315 10.104 1.00 0.00 H new ATOM 0 HB3 ALA A 190 61.639 12.948 10.676 1.00 0.00 H new ATOM 762 N ASP A 191 61.023 13.707 14.083 1.00 0.00 N ATOM 763 CA ASP A 191 61.683 13.645 15.409 1.00 0.00 C ATOM 764 C ASP A 191 61.621 12.277 16.129 1.00 0.00 C ATOM 765 O ASP A 191 62.664 11.688 16.408 1.00 0.00 O ATOM 766 CB ASP A 191 61.120 14.767 16.296 1.00 0.00 C ATOM 767 CG ASP A 191 61.825 14.823 17.661 1.00 0.00 C ATOM 768 OD1 ASP A 191 62.980 15.310 17.718 1.00 0.00 O ATOM 769 OD2 ASP A 191 61.213 14.406 18.672 1.00 0.00 O ATOM 0 H ASP A 191 60.191 13.121 14.010 1.00 0.00 H new ATOM 0 HA ASP A 191 62.748 13.786 15.224 1.00 0.00 H new ATOM 0 HB2 ASP A 191 61.235 15.724 15.788 1.00 0.00 H new ATOM 0 HB3 ASP A 191 60.051 14.611 16.445 1.00 0.00 H new ATOM 774 N ILE A 192 60.410 11.786 16.414 1.00 0.00 N ATOM 775 CA ILE A 192 60.085 10.513 17.116 1.00 0.00 C ATOM 776 C ILE A 192 60.532 10.502 18.598 1.00 0.00 C ATOM 777 O ILE A 192 61.726 10.441 18.912 1.00 0.00 O ATOM 778 CB ILE A 192 60.590 9.254 16.351 1.00 0.00 C ATOM 779 CG1 ILE A 192 60.348 9.357 14.821 1.00 0.00 C ATOM 780 CG2 ILE A 192 59.917 7.994 16.936 1.00 0.00 C ATOM 781 CD1 ILE A 192 60.565 8.067 14.022 1.00 0.00 C ATOM 0 H ILE A 192 59.565 12.292 16.148 1.00 0.00 H new ATOM 0 HA ILE A 192 58.996 10.462 17.123 1.00 0.00 H new ATOM 0 HB ILE A 192 61.669 9.185 16.487 1.00 0.00 H new ATOM 0 HG12 ILE A 192 59.325 9.696 14.656 1.00 0.00 H new ATOM 0 HG13 ILE A 192 61.008 10.126 14.419 1.00 0.00 H new ATOM 0 HG21 ILE A 192 60.269 7.112 16.402 1.00 0.00 H new ATOM 0 HG22 ILE A 192 60.170 7.904 17.992 1.00 0.00 H new ATOM 0 HG23 ILE A 192 58.835 8.076 16.828 1.00 0.00 H new ATOM 0 HD11 ILE A 192 60.368 8.255 12.967 1.00 0.00 H new ATOM 0 HD12 ILE A 192 61.595 7.732 14.145 1.00 0.00 H new ATOM 0 HD13 ILE A 192 59.887 7.295 14.386 1.00 0.00 H new ATOM 933 N MET A 202 56.044 7.306 19.853 1.00 0.00 N ATOM 934 CA MET A 202 55.347 7.823 18.666 1.00 0.00 C ATOM 935 C MET A 202 56.217 8.734 17.785 1.00 0.00 C ATOM 936 O MET A 202 57.069 9.482 18.268 1.00 0.00 O ATOM 937 CB MET A 202 54.029 8.505 19.087 1.00 0.00 C ATOM 938 CG MET A 202 54.222 9.746 19.972 1.00 0.00 C ATOM 939 SD MET A 202 52.670 10.496 20.523 1.00 0.00 S ATOM 940 CE MET A 202 53.369 11.890 21.444 1.00 0.00 C ATOM 0 HA MET A 202 55.115 6.968 18.031 1.00 0.00 H new ATOM 0 HB2 MET A 202 53.478 8.792 18.191 1.00 0.00 H new ATOM 0 HB3 MET A 202 53.413 7.782 19.622 1.00 0.00 H new ATOM 0 HG2 MET A 202 54.812 9.470 20.846 1.00 0.00 H new ATOM 0 HG3 MET A 202 54.798 10.489 19.420 1.00 0.00 H new ATOM 0 HE1 MET A 202 52.562 12.486 21.870 1.00 0.00 H new ATOM 0 HE2 MET A 202 54.004 11.514 22.246 1.00 0.00 H new ATOM 0 HE3 MET A 202 53.962 12.510 20.771 1.00 0.00 H new ATOM 950 N GLY A 203 55.973 8.684 16.472 1.00 0.00 N ATOM 951 CA GLY A 203 56.605 9.539 15.460 1.00 0.00 C ATOM 952 C GLY A 203 55.713 10.700 15.025 1.00 0.00 C ATOM 953 O GLY A 203 54.487 10.622 15.135 1.00 0.00 O ATOM 0 H GLY A 203 55.307 8.025 16.070 1.00 0.00 H new ATOM 0 HA2 GLY A 203 57.540 9.934 15.857 1.00 0.00 H new ATOM 0 HA3 GLY A 203 56.859 8.936 14.588 1.00 0.00 H new ATOM 957 N THR A 204 56.338 11.742 14.469 1.00 0.00 N ATOM 958 CA THR A 204 55.694 12.963 13.949 1.00 0.00 C ATOM 959 C THR A 204 56.502 13.476 12.765 1.00 0.00 C ATOM 960 O THR A 204 57.727 13.396 12.800 1.00 0.00 O ATOM 961 CB THR A 204 55.610 14.060 15.024 1.00 0.00 C ATOM 962 OG1 THR A 204 55.048 13.545 16.206 1.00 0.00 O ATOM 963 CG2 THR A 204 54.733 15.229 14.563 1.00 0.00 C ATOM 0 H THR A 204 57.352 11.763 14.362 1.00 0.00 H new ATOM 0 HA THR A 204 54.677 12.715 13.644 1.00 0.00 H new ATOM 0 HB THR A 204 56.627 14.411 15.201 1.00 0.00 H new ATOM 0 HG1 THR A 204 54.102 13.795 16.254 1.00 0.00 H new ATOM 0 HG21 THR A 204 54.695 15.986 15.346 1.00 0.00 H new ATOM 0 HG22 THR A 204 55.154 15.665 13.657 1.00 0.00 H new ATOM 0 HG23 THR A 204 53.725 14.869 14.358 1.00 0.00 H new ATOM 971 N VAL A 205 55.826 13.997 11.739 1.00 0.00 N ATOM 972 CA VAL A 205 56.455 14.480 10.491 1.00 0.00 C ATOM 973 C VAL A 205 55.738 15.732 9.969 1.00 0.00 C ATOM 974 O VAL A 205 54.513 15.819 10.039 1.00 0.00 O ATOM 975 CB VAL A 205 56.474 13.388 9.389 1.00 0.00 C ATOM 976 CG1 VAL A 205 57.381 13.772 8.213 1.00 0.00 C ATOM 977 CG2 VAL A 205 56.905 12.000 9.892 1.00 0.00 C ATOM 0 H VAL A 205 54.811 14.100 11.744 1.00 0.00 H new ATOM 0 HA VAL A 205 57.488 14.732 10.733 1.00 0.00 H new ATOM 0 HB VAL A 205 55.436 13.326 9.062 1.00 0.00 H new ATOM 0 HG11 VAL A 205 57.364 12.979 7.466 1.00 0.00 H new ATOM 0 HG12 VAL A 205 57.024 14.700 7.766 1.00 0.00 H new ATOM 0 HG13 VAL A 205 58.401 13.911 8.571 1.00 0.00 H new ATOM 0 HG21 VAL A 205 56.893 11.293 9.063 1.00 0.00 H new ATOM 0 HG22 VAL A 205 57.913 12.059 10.304 1.00 0.00 H new ATOM 0 HG23 VAL A 205 56.216 11.663 10.666 1.00 0.00 H new ATOM 987 N GLU A 206 56.501 16.684 9.428 1.00 0.00 N ATOM 988 CA GLU A 206 56.027 17.926 8.806 1.00 0.00 C ATOM 989 C GLU A 206 56.476 17.983 7.335 1.00 0.00 C ATOM 990 O GLU A 206 57.620 17.647 7.027 1.00 0.00 O ATOM 991 CB GLU A 206 56.594 19.113 9.605 1.00 0.00 C ATOM 992 CG GLU A 206 55.974 20.459 9.214 1.00 0.00 C ATOM 993 CD GLU A 206 56.566 21.594 10.063 1.00 0.00 C ATOM 994 OE1 GLU A 206 56.027 21.888 11.157 1.00 0.00 O ATOM 995 OE2 GLU A 206 57.578 22.204 9.641 1.00 0.00 O ATOM 0 H GLU A 206 57.518 16.607 9.410 1.00 0.00 H new ATOM 0 HA GLU A 206 54.938 17.968 8.820 1.00 0.00 H new ATOM 0 HB2 GLU A 206 56.427 18.939 10.668 1.00 0.00 H new ATOM 0 HB3 GLU A 206 57.673 19.161 9.455 1.00 0.00 H new ATOM 0 HG2 GLU A 206 56.155 20.656 8.157 1.00 0.00 H new ATOM 0 HG3 GLU A 206 54.893 20.421 9.351 1.00 0.00 H new ATOM 1002 N PHE A 207 55.605 18.442 6.429 1.00 0.00 N ATOM 1003 CA PHE A 207 55.833 18.509 4.974 1.00 0.00 C ATOM 1004 C PHE A 207 55.820 19.956 4.444 1.00 0.00 C ATOM 1005 O PHE A 207 55.149 20.823 5.009 1.00 0.00 O ATOM 1006 CB PHE A 207 54.723 17.719 4.264 1.00 0.00 C ATOM 1007 CG PHE A 207 54.876 16.212 4.270 1.00 0.00 C ATOM 1008 CD1 PHE A 207 54.619 15.479 5.444 1.00 0.00 C ATOM 1009 CD2 PHE A 207 55.211 15.538 3.077 1.00 0.00 C ATOM 1010 CE1 PHE A 207 54.673 14.077 5.419 1.00 0.00 C ATOM 1011 CE2 PHE A 207 55.260 14.134 3.056 1.00 0.00 C ATOM 1012 CZ PHE A 207 54.958 13.408 4.219 1.00 0.00 C ATOM 0 H PHE A 207 54.685 18.792 6.696 1.00 0.00 H new ATOM 0 HA PHE A 207 56.818 18.087 4.773 1.00 0.00 H new ATOM 0 HB2 PHE A 207 53.770 17.970 4.730 1.00 0.00 H new ATOM 0 HB3 PHE A 207 54.670 18.055 3.229 1.00 0.00 H new ATOM 0 HD1 PHE A 207 54.381 15.995 6.362 1.00 0.00 H new ATOM 0 HD2 PHE A 207 55.429 16.100 2.181 1.00 0.00 H new ATOM 0 HE1 PHE A 207 54.495 13.513 6.323 1.00 0.00 H new ATOM 0 HE2 PHE A 207 55.529 13.615 2.148 1.00 0.00 H new ATOM 0 HZ PHE A 207 54.945 12.328 4.190 1.00 0.00 H new ATOM 1022 N THR A 208 56.516 20.199 3.319 1.00 0.00 N ATOM 1023 CA THR A 208 56.471 21.482 2.580 1.00 0.00 C ATOM 1024 C THR A 208 55.245 21.607 1.664 1.00 0.00 C ATOM 1025 O THR A 208 54.906 22.715 1.246 1.00 0.00 O ATOM 1026 CB THR A 208 57.734 21.688 1.731 1.00 0.00 C ATOM 1027 OG1 THR A 208 57.772 20.680 0.746 1.00 0.00 O ATOM 1028 CG2 THR A 208 59.047 21.633 2.512 1.00 0.00 C ATOM 0 H THR A 208 57.132 19.508 2.891 1.00 0.00 H new ATOM 0 HA THR A 208 56.407 22.251 3.349 1.00 0.00 H new ATOM 0 HB THR A 208 57.662 22.693 1.316 1.00 0.00 H new ATOM 0 HG1 THR A 208 58.477 20.884 0.096 1.00 0.00 H new ATOM 0 HG21 THR A 208 59.883 21.789 1.830 1.00 0.00 H new ATOM 0 HG22 THR A 208 59.050 22.413 3.274 1.00 0.00 H new ATOM 0 HG23 THR A 208 59.146 20.658 2.990 1.00 0.00 H new ATOM 1036 N ASN A 209 54.588 20.487 1.342 1.00 0.00 N ATOM 1037 CA ASN A 209 53.547 20.381 0.311 1.00 0.00 C ATOM 1038 C ASN A 209 52.115 20.343 0.897 1.00 0.00 C ATOM 1039 O ASN A 209 51.936 20.270 2.112 1.00 0.00 O ATOM 1040 CB ASN A 209 53.879 19.157 -0.570 1.00 0.00 C ATOM 1041 CG ASN A 209 53.446 19.318 -2.030 1.00 0.00 C ATOM 1042 OD1 ASN A 209 52.504 20.028 -2.358 1.00 0.00 O ATOM 1043 ND2 ASN A 209 54.139 18.673 -2.951 1.00 0.00 N ATOM 0 H ASN A 209 54.772 19.598 1.808 1.00 0.00 H new ATOM 0 HA ASN A 209 53.549 21.280 -0.305 1.00 0.00 H new ATOM 0 HB2 ASN A 209 54.953 18.976 -0.536 1.00 0.00 H new ATOM 0 HB3 ASN A 209 53.394 18.276 -0.151 1.00 0.00 H new ATOM 0 HD21 ASN A 209 53.889 18.766 -3.936 1.00 0.00 H new ATOM 0 HD22 ASN A 209 54.924 18.082 -2.678 1.00 0.00 H new ATOM 1050 N SER A 210 51.092 20.391 0.040 1.00 0.00 N ATOM 1051 CA SER A 210 49.666 20.443 0.400 1.00 0.00 C ATOM 1052 C SER A 210 48.950 19.102 0.120 1.00 0.00 C ATOM 1053 O SER A 210 49.085 18.160 0.903 1.00 0.00 O ATOM 1054 CB SER A 210 49.001 21.658 -0.281 1.00 0.00 C ATOM 1055 OG SER A 210 49.149 21.641 -1.698 1.00 0.00 O ATOM 0 H SER A 210 51.238 20.395 -0.970 1.00 0.00 H new ATOM 0 HA SER A 210 49.573 20.587 1.476 1.00 0.00 H new ATOM 0 HB2 SER A 210 47.940 21.675 -0.030 1.00 0.00 H new ATOM 0 HB3 SER A 210 49.437 22.575 0.115 1.00 0.00 H new ATOM 0 HG SER A 210 48.710 22.429 -2.082 1.00 0.00 H new ATOM 1061 N ASP A 211 48.200 18.978 -0.981 1.00 0.00 N ATOM 1062 CA ASP A 211 47.386 17.797 -1.313 1.00 0.00 C ATOM 1063 C ASP A 211 48.210 16.502 -1.464 1.00 0.00 C ATOM 1064 O ASP A 211 47.688 15.404 -1.267 1.00 0.00 O ATOM 1065 CB ASP A 211 46.585 18.066 -2.595 1.00 0.00 C ATOM 1066 CG ASP A 211 45.489 19.120 -2.384 1.00 0.00 C ATOM 1067 OD1 ASP A 211 44.384 18.750 -1.919 1.00 0.00 O ATOM 1068 OD2 ASP A 211 45.728 20.310 -2.702 1.00 0.00 O ATOM 0 H ASP A 211 48.139 19.713 -1.685 1.00 0.00 H new ATOM 0 HA ASP A 211 46.713 17.633 -0.471 1.00 0.00 H new ATOM 0 HB2 ASP A 211 47.262 18.401 -3.381 1.00 0.00 H new ATOM 0 HB3 ASP A 211 46.131 17.137 -2.940 1.00 0.00 H new ATOM 1073 N ASP A 212 49.514 16.623 -1.737 1.00 0.00 N ATOM 1074 CA ASP A 212 50.454 15.500 -1.766 1.00 0.00 C ATOM 1075 C ASP A 212 50.699 14.870 -0.378 1.00 0.00 C ATOM 1076 O ASP A 212 51.137 13.725 -0.304 1.00 0.00 O ATOM 1077 CB ASP A 212 51.768 15.933 -2.431 1.00 0.00 C ATOM 1078 CG ASP A 212 51.606 16.108 -3.954 1.00 0.00 C ATOM 1079 OD1 ASP A 212 51.551 15.083 -4.679 1.00 0.00 O ATOM 1080 OD2 ASP A 212 51.541 17.267 -4.428 1.00 0.00 O ATOM 0 H ASP A 212 49.952 17.520 -1.947 1.00 0.00 H new ATOM 0 HA ASP A 212 49.995 14.712 -2.363 1.00 0.00 H new ATOM 0 HB2 ASP A 212 52.107 16.871 -1.991 1.00 0.00 H new ATOM 0 HB3 ASP A 212 52.540 15.190 -2.230 1.00 0.00 H new ATOM 1085 N VAL A 213 50.378 15.562 0.722 1.00 0.00 N ATOM 1086 CA VAL A 213 50.524 15.021 2.091 1.00 0.00 C ATOM 1087 C VAL A 213 49.511 13.895 2.379 1.00 0.00 C ATOM 1088 O VAL A 213 49.818 12.959 3.117 1.00 0.00 O ATOM 1089 CB VAL A 213 50.457 16.143 3.153 1.00 0.00 C ATOM 1090 CG1 VAL A 213 50.672 15.620 4.586 1.00 0.00 C ATOM 1091 CG2 VAL A 213 51.538 17.203 2.866 1.00 0.00 C ATOM 0 H VAL A 213 50.009 16.513 0.695 1.00 0.00 H new ATOM 0 HA VAL A 213 51.516 14.573 2.155 1.00 0.00 H new ATOM 0 HB VAL A 213 49.456 16.570 3.088 1.00 0.00 H new ATOM 0 HG11 VAL A 213 50.614 16.451 5.289 1.00 0.00 H new ATOM 0 HG12 VAL A 213 49.901 14.888 4.826 1.00 0.00 H new ATOM 0 HG13 VAL A 213 51.653 15.151 4.659 1.00 0.00 H new ATOM 0 HG21 VAL A 213 51.485 17.990 3.618 1.00 0.00 H new ATOM 0 HG22 VAL A 213 52.523 16.737 2.898 1.00 0.00 H new ATOM 0 HG23 VAL A 213 51.373 17.633 1.878 1.00 0.00 H new ATOM 1101 N ASP A 214 48.336 13.922 1.737 1.00 0.00 N ATOM 1102 CA ASP A 214 47.404 12.786 1.718 1.00 0.00 C ATOM 1103 C ASP A 214 47.916 11.675 0.791 1.00 0.00 C ATOM 1104 O ASP A 214 47.974 10.515 1.194 1.00 0.00 O ATOM 1105 CB ASP A 214 46.007 13.253 1.284 1.00 0.00 C ATOM 1106 CG ASP A 214 45.307 14.058 2.388 1.00 0.00 C ATOM 1107 OD1 ASP A 214 44.728 13.418 3.297 1.00 0.00 O ATOM 1108 OD2 ASP A 214 45.328 15.310 2.344 1.00 0.00 O ATOM 0 H ASP A 214 48.004 14.733 1.215 1.00 0.00 H new ATOM 0 HA ASP A 214 47.337 12.378 2.727 1.00 0.00 H new ATOM 0 HB2 ASP A 214 46.091 13.865 0.386 1.00 0.00 H new ATOM 0 HB3 ASP A 214 45.398 12.387 1.024 1.00 0.00 H new ATOM 1113 N ARG A 215 48.369 12.041 -0.416 1.00 0.00 N ATOM 1114 CA ARG A 215 48.998 11.173 -1.413 1.00 0.00 C ATOM 1115 C ARG A 215 50.188 10.356 -0.875 1.00 0.00 C ATOM 1116 O ARG A 215 50.441 9.257 -1.368 1.00 0.00 O ATOM 1117 CB ARG A 215 49.443 12.090 -2.561 1.00 0.00 C ATOM 1118 CG ARG A 215 49.279 11.471 -3.941 1.00 0.00 C ATOM 1119 CD ARG A 215 49.888 12.448 -4.955 1.00 0.00 C ATOM 1120 NE ARG A 215 49.756 12.000 -6.348 1.00 0.00 N ATOM 1121 CZ ARG A 215 50.266 12.645 -7.394 1.00 0.00 C ATOM 1122 NH1 ARG A 215 50.965 13.754 -7.248 1.00 0.00 N ATOM 1123 NH2 ARG A 215 50.073 12.176 -8.608 1.00 0.00 N ATOM 0 H ARG A 215 48.301 13.006 -0.738 1.00 0.00 H new ATOM 0 HA ARG A 215 48.277 10.421 -1.735 1.00 0.00 H new ATOM 0 HB2 ARG A 215 48.869 13.015 -2.518 1.00 0.00 H new ATOM 0 HB3 ARG A 215 50.490 12.357 -2.415 1.00 0.00 H new ATOM 0 HG2 ARG A 215 49.780 10.504 -3.990 1.00 0.00 H new ATOM 0 HG3 ARG A 215 48.226 11.296 -4.161 1.00 0.00 H new ATOM 0 HD2 ARG A 215 49.407 13.420 -4.846 1.00 0.00 H new ATOM 0 HD3 ARG A 215 50.944 12.588 -4.725 1.00 0.00 H new ATOM 0 HE ARG A 215 49.240 11.138 -6.525 1.00 0.00 H new ATOM 0 HH11 ARG A 215 51.126 14.137 -6.316 1.00 0.00 H new ATOM 0 HH12 ARG A 215 51.345 14.229 -8.067 1.00 0.00 H new ATOM 0 HH21 ARG A 215 49.534 11.321 -8.745 1.00 0.00 H new ATOM 0 HH22 ARG A 215 50.462 12.668 -9.412 1.00 0.00 H new ATOM 1137 N ALA A 216 50.881 10.857 0.155 1.00 0.00 N ATOM 1138 CA ALA A 216 51.826 10.101 0.979 1.00 0.00 C ATOM 1139 C ALA A 216 51.107 8.988 1.758 1.00 0.00 C ATOM 1140 O ALA A 216 51.226 7.809 1.440 1.00 0.00 O ATOM 1141 CB ALA A 216 52.553 11.076 1.928 1.00 0.00 C ATOM 0 H ALA A 216 50.795 11.831 0.445 1.00 0.00 H new ATOM 0 HA ALA A 216 52.562 9.615 0.338 1.00 0.00 H new ATOM 0 HB1 ALA A 216 53.260 10.523 2.547 1.00 0.00 H new ATOM 0 HB2 ALA A 216 53.090 11.822 1.342 1.00 0.00 H new ATOM 0 HB3 ALA A 216 51.824 11.574 2.567 1.00 0.00 H new ATOM 1147 N ILE A 217 50.326 9.377 2.768 1.00 0.00 N ATOM 1148 CA ILE A 217 49.677 8.478 3.738 1.00 0.00 C ATOM 1149 C ILE A 217 48.827 7.401 3.059 1.00 0.00 C ATOM 1150 O ILE A 217 48.952 6.229 3.402 1.00 0.00 O ATOM 1151 CB ILE A 217 48.884 9.344 4.742 1.00 0.00 C ATOM 1152 CG1 ILE A 217 49.896 9.940 5.750 1.00 0.00 C ATOM 1153 CG2 ILE A 217 47.736 8.565 5.413 1.00 0.00 C ATOM 1154 CD1 ILE A 217 49.275 11.057 6.588 1.00 0.00 C ATOM 0 H ILE A 217 50.118 10.360 2.943 1.00 0.00 H new ATOM 0 HA ILE A 217 50.434 7.915 4.283 1.00 0.00 H new ATOM 0 HB ILE A 217 48.380 10.157 4.220 1.00 0.00 H new ATOM 0 HG12 ILE A 217 50.260 9.151 6.409 1.00 0.00 H new ATOM 0 HG13 ILE A 217 50.760 10.328 5.211 1.00 0.00 H new ATOM 0 HG21 ILE A 217 47.211 9.219 6.109 1.00 0.00 H new ATOM 0 HG22 ILE A 217 47.041 8.213 4.651 1.00 0.00 H new ATOM 0 HG23 ILE A 217 48.143 7.711 5.954 1.00 0.00 H new ATOM 0 HD11 ILE A 217 50.019 11.448 7.282 1.00 0.00 H new ATOM 0 HD12 ILE A 217 48.935 11.858 5.932 1.00 0.00 H new ATOM 0 HD13 ILE A 217 48.427 10.663 7.148 1.00 0.00 H new ATOM 1166 N ARG A 218 48.030 7.759 2.051 1.00 0.00 N ATOM 1167 CA ARG A 218 47.229 6.809 1.263 1.00 0.00 C ATOM 1168 C ARG A 218 48.036 5.791 0.424 1.00 0.00 C ATOM 1169 O ARG A 218 47.436 4.943 -0.240 1.00 0.00 O ATOM 1170 CB ARG A 218 46.129 7.551 0.476 1.00 0.00 C ATOM 1171 CG ARG A 218 45.208 8.424 1.359 1.00 0.00 C ATOM 1172 CD ARG A 218 44.685 7.708 2.615 1.00 0.00 C ATOM 1173 NE ARG A 218 43.835 8.588 3.432 1.00 0.00 N ATOM 1174 CZ ARG A 218 43.538 8.414 4.716 1.00 0.00 C ATOM 1175 NH1 ARG A 218 44.025 7.415 5.425 1.00 0.00 N ATOM 1176 NH2 ARG A 218 42.731 9.263 5.316 1.00 0.00 N ATOM 0 H ARG A 218 47.918 8.728 1.752 1.00 0.00 H new ATOM 0 HA ARG A 218 46.737 6.156 1.984 1.00 0.00 H new ATOM 0 HB2 ARG A 218 46.599 8.183 -0.278 1.00 0.00 H new ATOM 0 HB3 ARG A 218 45.520 6.820 -0.055 1.00 0.00 H new ATOM 0 HG2 ARG A 218 45.753 9.317 1.663 1.00 0.00 H new ATOM 0 HG3 ARG A 218 44.359 8.757 0.763 1.00 0.00 H new ATOM 0 HD2 ARG A 218 44.117 6.826 2.320 1.00 0.00 H new ATOM 0 HD3 ARG A 218 45.528 7.360 3.212 1.00 0.00 H new ATOM 0 HE ARG A 218 43.437 9.406 2.971 1.00 0.00 H new ATOM 0 HH11 ARG A 218 44.654 6.740 4.990 1.00 0.00 H new ATOM 0 HH12 ARG A 218 43.772 7.317 6.408 1.00 0.00 H new ATOM 0 HH21 ARG A 218 42.338 10.048 4.796 1.00 0.00 H new ATOM 0 HH22 ARG A 218 42.498 9.136 6.301 1.00 0.00 H new ATOM 1190 N GLN A 219 49.372 5.829 0.469 1.00 0.00 N ATOM 1191 CA GLN A 219 50.281 4.798 -0.054 1.00 0.00 C ATOM 1192 C GLN A 219 51.161 4.164 1.053 1.00 0.00 C ATOM 1193 O GLN A 219 51.923 3.240 0.765 1.00 0.00 O ATOM 1194 CB GLN A 219 51.158 5.405 -1.166 1.00 0.00 C ATOM 1195 CG GLN A 219 50.352 5.857 -2.394 1.00 0.00 C ATOM 1196 CD GLN A 219 51.267 6.392 -3.495 1.00 0.00 C ATOM 1197 OE1 GLN A 219 51.716 5.669 -4.379 1.00 0.00 O ATOM 1198 NE2 GLN A 219 51.585 7.671 -3.485 1.00 0.00 N ATOM 0 H GLN A 219 49.873 6.612 0.889 1.00 0.00 H new ATOM 0 HA GLN A 219 49.671 3.992 -0.463 1.00 0.00 H new ATOM 0 HB2 GLN A 219 51.704 6.258 -0.764 1.00 0.00 H new ATOM 0 HB3 GLN A 219 51.900 4.669 -1.477 1.00 0.00 H new ATOM 0 HG2 GLN A 219 49.770 5.019 -2.778 1.00 0.00 H new ATOM 0 HG3 GLN A 219 49.642 6.630 -2.101 1.00 0.00 H new ATOM 0 HE21 GLN A 219 51.218 8.282 -2.755 1.00 0.00 H new ATOM 0 HE22 GLN A 219 52.198 8.050 -4.207 1.00 0.00 H new ATOM 1207 N TYR A 220 51.041 4.610 2.312 1.00 0.00 N ATOM 1208 CA TYR A 220 51.839 4.168 3.471 1.00 0.00 C ATOM 1209 C TYR A 220 50.996 3.614 4.646 1.00 0.00 C ATOM 1210 O TYR A 220 51.542 2.938 5.521 1.00 0.00 O ATOM 1211 CB TYR A 220 52.731 5.333 3.943 1.00 0.00 C ATOM 1212 CG TYR A 220 53.724 5.889 2.927 1.00 0.00 C ATOM 1213 CD1 TYR A 220 54.475 5.033 2.093 1.00 0.00 C ATOM 1214 CD2 TYR A 220 53.921 7.282 2.833 1.00 0.00 C ATOM 1215 CE1 TYR A 220 55.384 5.561 1.156 1.00 0.00 C ATOM 1216 CE2 TYR A 220 54.822 7.820 1.895 1.00 0.00 C ATOM 1217 CZ TYR A 220 55.553 6.959 1.047 1.00 0.00 C ATOM 1218 OH TYR A 220 56.412 7.476 0.125 1.00 0.00 O ATOM 0 H TYR A 220 50.355 5.321 2.564 1.00 0.00 H new ATOM 0 HA TYR A 220 52.448 3.329 3.135 1.00 0.00 H new ATOM 0 HB2 TYR A 220 52.084 6.148 4.267 1.00 0.00 H new ATOM 0 HB3 TYR A 220 53.289 5.001 4.819 1.00 0.00 H new ATOM 0 HD1 TYR A 220 54.351 3.963 2.174 1.00 0.00 H new ATOM 0 HD2 TYR A 220 53.374 7.944 3.488 1.00 0.00 H new ATOM 0 HE1 TYR A 220 55.952 4.897 0.521 1.00 0.00 H new ATOM 0 HE2 TYR A 220 54.954 8.890 1.824 1.00 0.00 H new ATOM 0 HH TYR A 220 57.276 7.659 0.550 1.00 0.00 H new ATOM 1228 N ASP A 221 49.675 3.833 4.657 1.00 0.00 N ATOM 1229 CA ASP A 221 48.706 3.145 5.523 1.00 0.00 C ATOM 1230 C ASP A 221 48.929 1.619 5.469 1.00 0.00 C ATOM 1231 O ASP A 221 48.859 1.013 4.394 1.00 0.00 O ATOM 1232 CB ASP A 221 47.266 3.451 5.054 1.00 0.00 C ATOM 1233 CG ASP A 221 46.673 4.769 5.582 1.00 0.00 C ATOM 1234 OD1 ASP A 221 46.818 5.052 6.794 1.00 0.00 O ATOM 1235 OD2 ASP A 221 45.972 5.462 4.805 1.00 0.00 O ATOM 0 H ASP A 221 49.235 4.518 4.042 1.00 0.00 H new ATOM 0 HA ASP A 221 48.847 3.500 6.544 1.00 0.00 H new ATOM 0 HB2 ASP A 221 47.253 3.476 3.964 1.00 0.00 H new ATOM 0 HB3 ASP A 221 46.618 2.630 5.362 1.00 0.00 H new ATOM 1240 N GLY A 222 49.207 0.995 6.624 1.00 0.00 N ATOM 1241 CA GLY A 222 49.434 -0.453 6.718 1.00 0.00 C ATOM 1242 C GLY A 222 50.878 -0.904 6.516 1.00 0.00 C ATOM 1243 O GLY A 222 51.120 -2.109 6.556 1.00 0.00 O ATOM 0 H GLY A 222 49.280 1.481 7.518 1.00 0.00 H new ATOM 0 HA2 GLY A 222 49.099 -0.793 7.698 1.00 0.00 H new ATOM 0 HA3 GLY A 222 48.809 -0.950 5.977 1.00 0.00 H new ATOM 1247 N ALA A 223 51.831 0.008 6.289 1.00 0.00 N ATOM 1248 CA ALA A 223 53.249 -0.343 6.183 1.00 0.00 C ATOM 1249 C ALA A 223 53.771 -0.987 7.484 1.00 0.00 C ATOM 1250 O ALA A 223 54.039 -0.313 8.481 1.00 0.00 O ATOM 1251 CB ALA A 223 54.069 0.891 5.768 1.00 0.00 C ATOM 0 H ALA A 223 51.641 1.004 6.174 1.00 0.00 H new ATOM 0 HA ALA A 223 53.366 -1.096 5.404 1.00 0.00 H new ATOM 0 HB1 ALA A 223 55.122 0.619 5.692 1.00 0.00 H new ATOM 0 HB2 ALA A 223 53.717 1.254 4.802 1.00 0.00 H new ATOM 0 HB3 ALA A 223 53.950 1.675 6.515 1.00 0.00 H new ATOM 1257 N PHE A 224 53.966 -2.308 7.449 1.00 0.00 N ATOM 1258 CA PHE A 224 54.957 -2.985 8.290 1.00 0.00 C ATOM 1259 C PHE A 224 56.331 -2.351 8.035 1.00 0.00 C ATOM 1260 O PHE A 224 56.899 -2.495 6.950 1.00 0.00 O ATOM 1261 CB PHE A 224 54.961 -4.495 8.008 1.00 0.00 C ATOM 1262 CG PHE A 224 53.835 -5.252 8.685 1.00 0.00 C ATOM 1263 CD1 PHE A 224 54.019 -5.763 9.985 1.00 0.00 C ATOM 1264 CD2 PHE A 224 52.608 -5.453 8.024 1.00 0.00 C ATOM 1265 CE1 PHE A 224 52.986 -6.476 10.618 1.00 0.00 C ATOM 1266 CE2 PHE A 224 51.577 -6.173 8.656 1.00 0.00 C ATOM 1267 CZ PHE A 224 51.764 -6.682 9.953 1.00 0.00 C ATOM 0 H PHE A 224 53.443 -2.937 6.839 1.00 0.00 H new ATOM 0 HA PHE A 224 54.704 -2.862 9.343 1.00 0.00 H new ATOM 0 HB2 PHE A 224 54.896 -4.653 6.932 1.00 0.00 H new ATOM 0 HB3 PHE A 224 55.913 -4.913 8.334 1.00 0.00 H new ATOM 0 HD1 PHE A 224 54.957 -5.606 10.497 1.00 0.00 H new ATOM 0 HD2 PHE A 224 52.458 -5.054 7.032 1.00 0.00 H new ATOM 0 HE1 PHE A 224 53.131 -6.866 11.615 1.00 0.00 H new ATOM 0 HE2 PHE A 224 50.640 -6.335 8.143 1.00 0.00 H new ATOM 0 HZ PHE A 224 50.970 -7.231 10.438 1.00 0.00 H new ATOM 1277 N PHE A 225 56.842 -1.627 9.035 1.00 0.00 N ATOM 1278 CA PHE A 225 58.036 -0.795 8.926 1.00 0.00 C ATOM 1279 C PHE A 225 59.014 -1.163 10.046 1.00 0.00 C ATOM 1280 O PHE A 225 58.726 -0.950 11.225 1.00 0.00 O ATOM 1281 CB PHE A 225 57.616 0.681 8.965 1.00 0.00 C ATOM 1282 CG PHE A 225 58.671 1.587 8.375 1.00 0.00 C ATOM 1283 CD1 PHE A 225 58.697 1.785 6.984 1.00 0.00 C ATOM 1284 CD2 PHE A 225 59.660 2.173 9.188 1.00 0.00 C ATOM 1285 CE1 PHE A 225 59.713 2.556 6.403 1.00 0.00 C ATOM 1286 CE2 PHE A 225 60.672 2.956 8.604 1.00 0.00 C ATOM 1287 CZ PHE A 225 60.702 3.147 7.211 1.00 0.00 C ATOM 0 H PHE A 225 56.423 -1.605 9.965 1.00 0.00 H new ATOM 0 HA PHE A 225 58.551 -0.967 7.981 1.00 0.00 H new ATOM 0 HB2 PHE A 225 56.683 0.807 8.416 1.00 0.00 H new ATOM 0 HB3 PHE A 225 57.422 0.975 9.996 1.00 0.00 H new ATOM 0 HD1 PHE A 225 57.933 1.342 6.362 1.00 0.00 H new ATOM 0 HD2 PHE A 225 59.642 2.022 10.257 1.00 0.00 H new ATOM 0 HE1 PHE A 225 59.737 2.697 5.332 1.00 0.00 H new ATOM 0 HE2 PHE A 225 61.428 3.412 9.227 1.00 0.00 H new ATOM 0 HZ PHE A 225 61.481 3.745 6.763 1.00 0.00 H new ATOM 1297 N MET A 226 60.143 -1.781 9.671 1.00 0.00 N ATOM 1298 CA MET A 226 61.140 -2.345 10.600 1.00 0.00 C ATOM 1299 C MET A 226 60.508 -3.362 11.580 1.00 0.00 C ATOM 1300 O MET A 226 60.879 -3.409 12.752 1.00 0.00 O ATOM 1301 CB MET A 226 61.930 -1.211 11.291 1.00 0.00 C ATOM 1302 CG MET A 226 62.707 -0.358 10.275 1.00 0.00 C ATOM 1303 SD MET A 226 63.538 1.105 10.950 1.00 0.00 S ATOM 1304 CE MET A 226 64.740 0.340 12.066 1.00 0.00 C ATOM 0 H MET A 226 60.397 -1.907 8.691 1.00 0.00 H new ATOM 0 HA MET A 226 61.865 -2.926 10.030 1.00 0.00 H new ATOM 0 HB2 MET A 226 61.242 -0.576 11.849 1.00 0.00 H new ATOM 0 HB3 MET A 226 62.625 -1.639 12.013 1.00 0.00 H new ATOM 0 HG2 MET A 226 63.455 -0.989 9.795 1.00 0.00 H new ATOM 0 HG3 MET A 226 62.016 -0.034 9.496 1.00 0.00 H new ATOM 0 HE1 MET A 226 65.397 1.108 12.474 1.00 0.00 H new ATOM 0 HE2 MET A 226 64.214 -0.158 12.880 1.00 0.00 H new ATOM 0 HE3 MET A 226 65.333 -0.391 11.516 1.00 0.00 H new ATOM 1314 N ASP A 227 59.526 -4.140 11.094 1.00 0.00 N ATOM 1315 CA ASP A 227 58.864 -5.314 11.716 1.00 0.00 C ATOM 1316 C ASP A 227 57.501 -5.035 12.403 1.00 0.00 C ATOM 1317 O ASP A 227 56.881 -5.973 12.913 1.00 0.00 O ATOM 1318 CB ASP A 227 59.826 -6.119 12.618 1.00 0.00 C ATOM 1319 CG ASP A 227 59.378 -7.572 12.853 1.00 0.00 C ATOM 1320 OD1 ASP A 227 59.216 -8.321 11.859 1.00 0.00 O ATOM 1321 OD2 ASP A 227 59.244 -7.980 14.033 1.00 0.00 O ATOM 0 H ASP A 227 59.135 -3.951 10.171 1.00 0.00 H new ATOM 0 HA ASP A 227 58.598 -5.943 10.866 1.00 0.00 H new ATOM 0 HB2 ASP A 227 60.818 -6.122 12.166 1.00 0.00 H new ATOM 0 HB3 ASP A 227 59.916 -5.615 13.580 1.00 0.00 H new ATOM 1326 N ARG A 228 57.000 -3.787 12.400 1.00 0.00 N ATOM 1327 CA ARG A 228 55.735 -3.407 13.067 1.00 0.00 C ATOM 1328 C ARG A 228 54.891 -2.436 12.224 1.00 0.00 C ATOM 1329 O ARG A 228 55.405 -1.517 11.590 1.00 0.00 O ATOM 1330 CB ARG A 228 56.058 -2.827 14.457 1.00 0.00 C ATOM 1331 CG ARG A 228 54.860 -2.694 15.411 1.00 0.00 C ATOM 1332 CD ARG A 228 54.383 -4.021 16.015 1.00 0.00 C ATOM 1333 NE ARG A 228 53.265 -3.774 16.943 1.00 0.00 N ATOM 1334 CZ ARG A 228 52.540 -4.679 17.587 1.00 0.00 C ATOM 1335 NH1 ARG A 228 52.766 -5.972 17.474 1.00 0.00 N ATOM 1336 NH2 ARG A 228 51.557 -4.274 18.362 1.00 0.00 N ATOM 0 H ARG A 228 57.462 -3.007 11.933 1.00 0.00 H new ATOM 0 HA ARG A 228 55.121 -4.300 13.182 1.00 0.00 H new ATOM 0 HB2 ARG A 228 56.809 -3.460 14.930 1.00 0.00 H new ATOM 0 HB3 ARG A 228 56.507 -1.843 14.326 1.00 0.00 H new ATOM 0 HG2 ARG A 228 55.129 -2.016 16.221 1.00 0.00 H new ATOM 0 HG3 ARG A 228 54.031 -2.235 14.873 1.00 0.00 H new ATOM 0 HD2 ARG A 228 54.067 -4.699 15.222 1.00 0.00 H new ATOM 0 HD3 ARG A 228 55.204 -4.507 16.542 1.00 0.00 H new ATOM 0 HE ARG A 228 53.021 -2.797 17.109 1.00 0.00 H new ATOM 0 HH11 ARG A 228 53.520 -6.307 16.875 1.00 0.00 H new ATOM 0 HH12 ARG A 228 52.187 -6.638 17.985 1.00 0.00 H new ATOM 0 HH21 ARG A 228 51.362 -3.278 18.460 1.00 0.00 H new ATOM 0 HH22 ARG A 228 50.989 -4.956 18.865 1.00 0.00 H new ATOM 1350 N LYS A 229 53.577 -2.669 12.178 1.00 0.00 N ATOM 1351 CA LYS A 229 52.628 -1.991 11.287 1.00 0.00 C ATOM 1352 C LYS A 229 52.259 -0.563 11.744 1.00 0.00 C ATOM 1353 O LYS A 229 51.399 -0.396 12.609 1.00 0.00 O ATOM 1354 CB LYS A 229 51.408 -2.912 11.210 1.00 0.00 C ATOM 1355 CG LYS A 229 50.458 -2.515 10.081 1.00 0.00 C ATOM 1356 CD LYS A 229 49.322 -3.535 10.052 1.00 0.00 C ATOM 1357 CE LYS A 229 48.387 -3.273 8.869 1.00 0.00 C ATOM 1358 NZ LYS A 229 47.261 -4.248 8.826 1.00 0.00 N ATOM 0 H LYS A 229 53.127 -3.359 12.780 1.00 0.00 H new ATOM 0 HA LYS A 229 53.076 -1.831 10.306 1.00 0.00 H new ATOM 0 HB2 LYS A 229 51.739 -3.940 11.060 1.00 0.00 H new ATOM 0 HB3 LYS A 229 50.873 -2.885 12.159 1.00 0.00 H new ATOM 0 HG2 LYS A 229 50.067 -1.511 10.245 1.00 0.00 H new ATOM 0 HG3 LYS A 229 50.983 -2.500 9.126 1.00 0.00 H new ATOM 0 HD2 LYS A 229 49.733 -4.542 9.980 1.00 0.00 H new ATOM 0 HD3 LYS A 229 48.759 -3.486 10.984 1.00 0.00 H new ATOM 0 HE2 LYS A 229 47.989 -2.261 8.938 1.00 0.00 H new ATOM 0 HE3 LYS A 229 48.953 -3.330 7.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 229 46.650 -4.037 8.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 229 47.640 -5.212 8.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 229 46.706 -4.176 9.702 1.00 0.00 H new ATOM 1372 N ILE A 230 52.842 0.470 11.118 1.00 0.00 N ATOM 1373 CA ILE A 230 52.459 1.880 11.339 1.00 0.00 C ATOM 1374 C ILE A 230 50.950 2.130 11.125 1.00 0.00 C ATOM 1375 O ILE A 230 50.335 1.597 10.198 1.00 0.00 O ATOM 1376 CB ILE A 230 53.317 2.878 10.502 1.00 0.00 C ATOM 1377 CG1 ILE A 230 52.851 3.043 9.034 1.00 0.00 C ATOM 1378 CG2 ILE A 230 54.809 2.512 10.572 1.00 0.00 C ATOM 1379 CD1 ILE A 230 53.705 4.015 8.209 1.00 0.00 C ATOM 0 H ILE A 230 53.596 0.355 10.441 1.00 0.00 H new ATOM 0 HA ILE A 230 52.673 2.074 12.390 1.00 0.00 H new ATOM 0 HB ILE A 230 53.166 3.854 10.964 1.00 0.00 H new ATOM 0 HG12 ILE A 230 52.861 2.067 8.549 1.00 0.00 H new ATOM 0 HG13 ILE A 230 51.818 3.391 9.029 1.00 0.00 H new ATOM 0 HG21 ILE A 230 55.386 3.223 9.980 1.00 0.00 H new ATOM 0 HG22 ILE A 230 55.144 2.547 11.609 1.00 0.00 H new ATOM 0 HG23 ILE A 230 54.956 1.507 10.177 1.00 0.00 H new ATOM 0 HD11 ILE A 230 53.312 4.073 7.194 1.00 0.00 H new ATOM 0 HD12 ILE A 230 53.676 5.004 8.667 1.00 0.00 H new ATOM 0 HD13 ILE A 230 54.735 3.659 8.179 1.00 0.00 H new ATOM 1391 N PHE A 231 50.395 3.022 11.952 1.00 0.00 N ATOM 1392 CA PHE A 231 49.075 3.635 11.781 1.00 0.00 C ATOM 1393 C PHE A 231 49.238 5.143 12.001 1.00 0.00 C ATOM 1394 O PHE A 231 49.935 5.538 12.938 1.00 0.00 O ATOM 1395 CB PHE A 231 48.067 3.048 12.787 1.00 0.00 C ATOM 1396 CG PHE A 231 47.897 1.537 12.767 1.00 0.00 C ATOM 1397 CD1 PHE A 231 47.482 0.882 11.591 1.00 0.00 C ATOM 1398 CD2 PHE A 231 48.117 0.785 13.938 1.00 0.00 C ATOM 1399 CE1 PHE A 231 47.308 -0.514 11.582 1.00 0.00 C ATOM 1400 CE2 PHE A 231 47.946 -0.612 13.929 1.00 0.00 C ATOM 1401 CZ PHE A 231 47.544 -1.262 12.749 1.00 0.00 C ATOM 0 H PHE A 231 50.872 3.349 12.792 1.00 0.00 H new ATOM 0 HA PHE A 231 48.689 3.433 10.782 1.00 0.00 H new ATOM 0 HB2 PHE A 231 48.373 3.345 13.790 1.00 0.00 H new ATOM 0 HB3 PHE A 231 47.094 3.504 12.602 1.00 0.00 H new ATOM 0 HD1 PHE A 231 47.297 1.453 10.693 1.00 0.00 H new ATOM 0 HD2 PHE A 231 48.419 1.283 14.848 1.00 0.00 H new ATOM 0 HE1 PHE A 231 46.993 -1.012 10.677 1.00 0.00 H new ATOM 0 HE2 PHE A 231 48.123 -1.184 14.828 1.00 0.00 H new ATOM 0 HZ PHE A 231 47.417 -2.334 12.739 1.00 0.00 H new ATOM 1411 N VAL A 232 48.635 5.969 11.141 1.00 0.00 N ATOM 1412 CA VAL A 232 48.893 7.423 11.062 1.00 0.00 C ATOM 1413 C VAL A 232 47.625 8.242 11.331 1.00 0.00 C ATOM 1414 O VAL A 232 46.568 8.004 10.750 1.00 0.00 O ATOM 1415 CB VAL A 232 49.534 7.818 9.707 1.00 0.00 C ATOM 1416 CG1 VAL A 232 48.761 7.311 8.488 1.00 0.00 C ATOM 1417 CG2 VAL A 232 49.795 9.334 9.583 1.00 0.00 C ATOM 0 H VAL A 232 47.941 5.648 10.466 1.00 0.00 H new ATOM 0 HA VAL A 232 49.610 7.660 11.848 1.00 0.00 H new ATOM 0 HB VAL A 232 50.498 7.309 9.711 1.00 0.00 H new ATOM 0 HG11 VAL A 232 49.270 7.627 7.577 1.00 0.00 H new ATOM 0 HG12 VAL A 232 48.710 6.223 8.517 1.00 0.00 H new ATOM 0 HG13 VAL A 232 47.752 7.722 8.500 1.00 0.00 H new ATOM 0 HG21 VAL A 232 50.244 9.548 8.613 1.00 0.00 H new ATOM 0 HG22 VAL A 232 48.852 9.874 9.673 1.00 0.00 H new ATOM 0 HG23 VAL A 232 50.473 9.652 10.375 1.00 0.00 H new ATOM 1427 N ARG A 233 47.780 9.245 12.195 1.00 0.00 N ATOM 1428 CA ARG A 233 46.847 10.341 12.462 1.00 0.00 C ATOM 1429 C ARG A 233 47.274 11.585 11.669 1.00 0.00 C ATOM 1430 O ARG A 233 48.452 11.943 11.643 1.00 0.00 O ATOM 1431 CB ARG A 233 46.839 10.595 13.985 1.00 0.00 C ATOM 1432 CG ARG A 233 46.119 11.889 14.400 1.00 0.00 C ATOM 1433 CD ARG A 233 46.009 11.995 15.925 1.00 0.00 C ATOM 1434 NE ARG A 233 45.527 13.328 16.334 1.00 0.00 N ATOM 1435 CZ ARG A 233 45.064 13.672 17.530 1.00 0.00 C ATOM 1436 NH1 ARG A 233 44.897 12.797 18.503 1.00 0.00 N ATOM 1437 NH2 ARG A 233 44.765 14.929 17.764 1.00 0.00 N ATOM 0 H ARG A 233 48.621 9.319 12.768 1.00 0.00 H new ATOM 0 HA ARG A 233 45.836 10.090 12.142 1.00 0.00 H new ATOM 0 HB2 ARG A 233 46.361 9.750 14.481 1.00 0.00 H new ATOM 0 HB3 ARG A 233 47.868 10.634 14.342 1.00 0.00 H new ATOM 0 HG2 ARG A 233 46.661 12.751 14.011 1.00 0.00 H new ATOM 0 HG3 ARG A 233 45.123 11.912 13.958 1.00 0.00 H new ATOM 0 HD2 ARG A 233 45.328 11.229 16.297 1.00 0.00 H new ATOM 0 HD3 ARG A 233 46.982 11.803 16.377 1.00 0.00 H new ATOM 0 HE ARG A 233 45.552 14.061 15.625 1.00 0.00 H new ATOM 0 HH11 ARG A 233 45.126 11.815 18.351 1.00 0.00 H new ATOM 0 HH12 ARG A 233 44.539 13.103 19.408 1.00 0.00 H new ATOM 0 HH21 ARG A 233 44.889 15.628 17.031 1.00 0.00 H new ATOM 0 HH22 ARG A 233 44.408 15.207 18.678 1.00 0.00 H new