USER MOD reduce.3.24.130724 H: found=0, std=0, add=348, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 349 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 16 LYS NZ :NH3+ 146:sc= -0.0752 (180deg=-0.735) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.105 X(o=-0.11,f=-0.17) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 99:sc= 0.433 USER MOD Single : A 36 GLN : amide:sc= -0.154 K(o=-0.15,f=-1.9!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 98:sc= 1.07 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.0036) USER MOD Single : A 58 GLN : amide:sc= -0.0464 X(o=-0.046,f=0) USER MOD Single : A 59 ASN : amide:sc= -0.018 X(o=-0.018,f=-0.3) USER MOD ----------------------------------------------------------------- ATOM 236 N ASP A 15 24.826 8.410 -0.220 1.00 0.00 N ATOM 237 CA ASP A 15 24.461 6.991 -0.498 1.00 0.00 C ATOM 238 C ASP A 15 23.176 6.620 0.246 1.00 0.00 C ATOM 239 O ASP A 15 22.439 5.746 -0.165 1.00 0.00 O ATOM 240 CB ASP A 15 25.640 6.169 0.025 1.00 0.00 C ATOM 241 CG ASP A 15 25.283 4.682 -0.017 1.00 0.00 C ATOM 242 OD1 ASP A 15 24.890 4.217 -1.073 1.00 0.00 O ATOM 243 OD2 ASP A 15 25.410 4.034 1.009 1.00 0.00 O ATOM 0 HA ASP A 15 24.277 6.812 -1.557 1.00 0.00 H new ATOM 0 HB2 ASP A 15 26.526 6.358 -0.581 1.00 0.00 H new ATOM 0 HB3 ASP A 15 25.881 6.467 1.045 1.00 0.00 H new ATOM 248 N LYS A 16 22.900 7.278 1.339 1.00 0.00 N ATOM 249 CA LYS A 16 21.662 6.962 2.107 1.00 0.00 C ATOM 250 C LYS A 16 20.462 6.884 1.164 1.00 0.00 C ATOM 251 O LYS A 16 19.639 5.994 1.257 1.00 0.00 O ATOM 252 CB LYS A 16 21.499 8.119 3.092 1.00 0.00 C ATOM 253 CG LYS A 16 22.019 7.697 4.467 1.00 0.00 C ATOM 254 CD LYS A 16 20.843 7.534 5.432 1.00 0.00 C ATOM 255 CE LYS A 16 21.014 8.491 6.614 1.00 0.00 C ATOM 256 NZ LYS A 16 20.949 9.854 6.017 1.00 0.00 N ATOM 0 H LYS A 16 23.478 8.020 1.733 1.00 0.00 H new ATOM 0 HA LYS A 16 21.726 6.001 2.617 1.00 0.00 H new ATOM 0 HB2 LYS A 16 22.046 8.992 2.737 1.00 0.00 H new ATOM 0 HB3 LYS A 16 20.450 8.407 3.161 1.00 0.00 H new ATOM 0 HG2 LYS A 16 22.570 6.760 4.387 1.00 0.00 H new ATOM 0 HG3 LYS A 16 22.715 8.444 4.849 1.00 0.00 H new ATOM 0 HD2 LYS A 16 19.905 7.740 4.917 1.00 0.00 H new ATOM 0 HD3 LYS A 16 20.791 6.505 5.788 1.00 0.00 H new ATOM 0 HE2 LYS A 16 20.228 8.347 7.356 1.00 0.00 H new ATOM 0 HE3 LYS A 16 21.965 8.327 7.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 20.494 10.506 6.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 21.912 10.188 5.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 20.396 9.821 5.137 1.00 0.00 H new ATOM 270 N ALA A 17 20.357 7.809 0.252 1.00 0.00 N ATOM 271 CA ALA A 17 19.213 7.790 -0.702 1.00 0.00 C ATOM 272 C ALA A 17 19.388 6.650 -1.707 1.00 0.00 C ATOM 273 O ALA A 17 18.435 6.163 -2.281 1.00 0.00 O ATOM 274 CB ALA A 17 19.261 9.143 -1.409 1.00 0.00 C ATOM 0 H ALA A 17 21.015 8.578 0.126 1.00 0.00 H new ATOM 0 HA ALA A 17 18.258 7.630 -0.201 1.00 0.00 H new ATOM 0 HB1 ALA A 17 18.446 9.206 -2.130 1.00 0.00 H new ATOM 0 HB2 ALA A 17 19.157 9.941 -0.674 1.00 0.00 H new ATOM 0 HB3 ALA A 17 20.214 9.249 -1.928 1.00 0.00 H new ATOM 280 N LEU A 18 20.600 6.218 -1.919 1.00 0.00 N ATOM 281 CA LEU A 18 20.836 5.105 -2.881 1.00 0.00 C ATOM 282 C LEU A 18 20.549 3.765 -2.203 1.00 0.00 C ATOM 283 O LEU A 18 20.170 2.802 -2.839 1.00 0.00 O ATOM 284 CB LEU A 18 22.315 5.212 -3.256 1.00 0.00 C ATOM 285 CG LEU A 18 22.479 4.973 -4.757 1.00 0.00 C ATOM 286 CD1 LEU A 18 22.219 6.276 -5.514 1.00 0.00 C ATOM 287 CD2 LEU A 18 23.905 4.495 -5.042 1.00 0.00 C ATOM 0 H LEU A 18 21.437 6.587 -1.468 1.00 0.00 H new ATOM 0 HA LEU A 18 20.191 5.167 -3.758 1.00 0.00 H new ATOM 0 HB2 LEU A 18 22.698 6.197 -2.990 1.00 0.00 H new ATOM 0 HB3 LEU A 18 22.897 4.481 -2.695 1.00 0.00 H new ATOM 0 HG LEU A 18 21.767 4.215 -5.084 1.00 0.00 H new ATOM 0 HD11 LEU A 18 22.336 6.105 -6.584 1.00 0.00 H new ATOM 0 HD12 LEU A 18 21.205 6.619 -5.310 1.00 0.00 H new ATOM 0 HD13 LEU A 18 22.931 7.034 -5.188 1.00 0.00 H new ATOM 0 HD21 LEU A 18 24.024 4.324 -6.112 1.00 0.00 H new ATOM 0 HD22 LEU A 18 24.615 5.254 -4.714 1.00 0.00 H new ATOM 0 HD23 LEU A 18 24.092 3.566 -4.503 1.00 0.00 H new ATOM 299 N ALA A 19 20.721 3.700 -0.912 1.00 0.00 N ATOM 300 CA ALA A 19 20.453 2.425 -0.187 1.00 0.00 C ATOM 301 C ALA A 19 18.946 2.223 -0.020 1.00 0.00 C ATOM 302 O ALA A 19 18.466 1.111 0.077 1.00 0.00 O ATOM 303 CB ALA A 19 21.129 2.591 1.172 1.00 0.00 C ATOM 0 H ALA A 19 21.036 4.474 -0.327 1.00 0.00 H new ATOM 0 HA ALA A 19 20.832 1.555 -0.723 1.00 0.00 H new ATOM 0 HB1 ALA A 19 20.976 1.690 1.767 1.00 0.00 H new ATOM 0 HB2 ALA A 19 22.197 2.755 1.029 1.00 0.00 H new ATOM 0 HB3 ALA A 19 20.697 3.446 1.691 1.00 0.00 H new ATOM 309 N VAL A 20 18.195 3.290 0.013 1.00 0.00 N ATOM 310 CA VAL A 20 16.719 3.156 0.171 1.00 0.00 C ATOM 311 C VAL A 20 16.089 2.724 -1.156 1.00 0.00 C ATOM 312 O VAL A 20 15.030 2.128 -1.186 1.00 0.00 O ATOM 313 CB VAL A 20 16.232 4.548 0.574 1.00 0.00 C ATOM 314 CG1 VAL A 20 16.275 5.479 -0.638 1.00 0.00 C ATOM 315 CG2 VAL A 20 14.794 4.453 1.092 1.00 0.00 C ATOM 0 H VAL A 20 18.539 4.247 -0.062 1.00 0.00 H new ATOM 0 HA VAL A 20 16.447 2.405 0.912 1.00 0.00 H new ATOM 0 HB VAL A 20 16.878 4.945 1.357 1.00 0.00 H new ATOM 0 HG11 VAL A 20 15.927 6.470 -0.348 1.00 0.00 H new ATOM 0 HG12 VAL A 20 17.298 5.547 -1.008 1.00 0.00 H new ATOM 0 HG13 VAL A 20 15.630 5.084 -1.423 1.00 0.00 H new ATOM 0 HG21 VAL A 20 14.445 5.445 1.380 1.00 0.00 H new ATOM 0 HG22 VAL A 20 14.150 4.055 0.308 1.00 0.00 H new ATOM 0 HG23 VAL A 20 14.762 3.792 1.958 1.00 0.00 H new ATOM 325 N GLU A 21 16.733 3.017 -2.252 1.00 0.00 N ATOM 326 CA GLU A 21 16.172 2.617 -3.575 1.00 0.00 C ATOM 327 C GLU A 21 16.414 1.126 -3.813 1.00 0.00 C ATOM 328 O GLU A 21 15.716 0.486 -4.575 1.00 0.00 O ATOM 329 CB GLU A 21 16.932 3.458 -4.600 1.00 0.00 C ATOM 330 CG GLU A 21 15.994 3.835 -5.748 1.00 0.00 C ATOM 331 CD GLU A 21 15.478 5.260 -5.539 1.00 0.00 C ATOM 332 OE1 GLU A 21 16.298 6.159 -5.455 1.00 0.00 O ATOM 333 OE2 GLU A 21 14.271 5.428 -5.468 1.00 0.00 O ATOM 0 H GLU A 21 17.622 3.515 -2.290 1.00 0.00 H new ATOM 0 HA GLU A 21 15.096 2.780 -3.638 1.00 0.00 H new ATOM 0 HB2 GLU A 21 17.326 4.358 -4.128 1.00 0.00 H new ATOM 0 HB3 GLU A 21 17.786 2.899 -4.983 1.00 0.00 H new ATOM 0 HG2 GLU A 21 16.520 3.763 -6.700 1.00 0.00 H new ATOM 0 HG3 GLU A 21 15.158 3.137 -5.793 1.00 0.00 H new ATOM 340 N GLN A 22 17.394 0.566 -3.159 1.00 0.00 N ATOM 341 CA GLN A 22 17.676 -0.887 -3.340 1.00 0.00 C ATOM 342 C GLN A 22 16.686 -1.707 -2.516 1.00 0.00 C ATOM 343 O GLN A 22 16.178 -2.720 -2.956 1.00 0.00 O ATOM 344 CB GLN A 22 19.100 -1.089 -2.819 1.00 0.00 C ATOM 345 CG GLN A 22 19.710 -2.333 -3.470 1.00 0.00 C ATOM 346 CD GLN A 22 21.142 -2.027 -3.911 1.00 0.00 C ATOM 347 OE1 GLN A 22 22.071 -2.165 -3.141 1.00 0.00 O ATOM 348 NE2 GLN A 22 21.362 -1.614 -5.130 1.00 0.00 N ATOM 0 H GLN A 22 18.011 1.051 -2.508 1.00 0.00 H new ATOM 0 HA GLN A 22 17.579 -1.204 -4.379 1.00 0.00 H new ATOM 0 HB2 GLN A 22 19.708 -0.213 -3.043 1.00 0.00 H new ATOM 0 HB3 GLN A 22 19.090 -1.201 -1.735 1.00 0.00 H new ATOM 0 HG2 GLN A 22 19.705 -3.165 -2.766 1.00 0.00 H new ATOM 0 HG3 GLN A 22 19.111 -2.638 -4.328 1.00 0.00 H new ATOM 0 HE21 GLN A 22 20.583 -1.498 -5.778 1.00 0.00 H new ATOM 0 HE22 GLN A 22 22.313 -1.408 -5.435 1.00 0.00 H new ATOM 357 N PHE A 23 16.406 -1.266 -1.324 1.00 0.00 N ATOM 358 CA PHE A 23 15.442 -2.006 -0.459 1.00 0.00 C ATOM 359 C PHE A 23 14.029 -1.899 -1.039 1.00 0.00 C ATOM 360 O PHE A 23 13.191 -2.749 -0.818 1.00 0.00 O ATOM 361 CB PHE A 23 15.515 -1.318 0.906 1.00 0.00 C ATOM 362 CG PHE A 23 15.840 -2.340 1.968 1.00 0.00 C ATOM 363 CD1 PHE A 23 14.815 -3.089 2.556 1.00 0.00 C ATOM 364 CD2 PHE A 23 17.168 -2.539 2.365 1.00 0.00 C ATOM 365 CE1 PHE A 23 15.117 -4.038 3.541 1.00 0.00 C ATOM 366 CE2 PHE A 23 17.471 -3.487 3.349 1.00 0.00 C ATOM 367 CZ PHE A 23 16.445 -4.236 3.938 1.00 0.00 C ATOM 0 H PHE A 23 16.803 -0.423 -0.908 1.00 0.00 H new ATOM 0 HA PHE A 23 15.681 -3.067 -0.389 1.00 0.00 H new ATOM 0 HB2 PHE A 23 16.276 -0.538 0.892 1.00 0.00 H new ATOM 0 HB3 PHE A 23 14.566 -0.833 1.132 1.00 0.00 H new ATOM 0 HD1 PHE A 23 13.791 -2.935 2.250 1.00 0.00 H new ATOM 0 HD2 PHE A 23 17.959 -1.960 1.911 1.00 0.00 H new ATOM 0 HE1 PHE A 23 14.326 -4.617 3.994 1.00 0.00 H new ATOM 0 HE2 PHE A 23 18.496 -3.641 3.654 1.00 0.00 H new ATOM 0 HZ PHE A 23 16.678 -4.966 4.699 1.00 0.00 H new ATOM 377 N ILE A 24 13.760 -0.858 -1.781 1.00 0.00 N ATOM 378 CA ILE A 24 12.402 -0.698 -2.375 1.00 0.00 C ATOM 379 C ILE A 24 12.295 -1.504 -3.672 1.00 0.00 C ATOM 380 O ILE A 24 11.236 -1.977 -4.034 1.00 0.00 O ATOM 381 CB ILE A 24 12.267 0.798 -2.659 1.00 0.00 C ATOM 382 CG1 ILE A 24 12.028 1.546 -1.346 1.00 0.00 C ATOM 383 CG2 ILE A 24 11.087 1.035 -3.603 1.00 0.00 C ATOM 384 CD1 ILE A 24 10.652 1.175 -0.790 1.00 0.00 C ATOM 0 H ILE A 24 14.421 -0.113 -2.001 1.00 0.00 H new ATOM 0 HA ILE A 24 11.616 -1.058 -1.712 1.00 0.00 H new ATOM 0 HB ILE A 24 13.182 1.163 -3.125 1.00 0.00 H new ATOM 0 HG12 ILE A 24 12.804 1.292 -0.624 1.00 0.00 H new ATOM 0 HG13 ILE A 24 12.087 2.622 -1.512 1.00 0.00 H new ATOM 0 HG21 ILE A 24 10.991 2.102 -3.805 1.00 0.00 H new ATOM 0 HG22 ILE A 24 11.257 0.502 -4.539 1.00 0.00 H new ATOM 0 HG23 ILE A 24 10.171 0.670 -3.139 1.00 0.00 H new ATOM 0 HD11 ILE A 24 10.482 1.708 0.145 1.00 0.00 H new ATOM 0 HD12 ILE A 24 9.882 1.451 -1.510 1.00 0.00 H new ATOM 0 HD13 ILE A 24 10.610 0.101 -0.608 1.00 0.00 H new ATOM 396 N SER A 25 13.383 -1.663 -4.374 1.00 0.00 N ATOM 397 CA SER A 25 13.343 -2.439 -5.647 1.00 0.00 C ATOM 398 C SER A 25 12.976 -3.898 -5.365 1.00 0.00 C ATOM 399 O SER A 25 12.449 -4.591 -6.212 1.00 0.00 O ATOM 400 CB SER A 25 14.759 -2.342 -6.213 1.00 0.00 C ATOM 401 OG SER A 25 14.803 -2.986 -7.479 1.00 0.00 O ATOM 0 H SER A 25 14.298 -1.290 -4.122 1.00 0.00 H new ATOM 0 HA SER A 25 12.598 -2.054 -6.343 1.00 0.00 H new ATOM 0 HB2 SER A 25 15.052 -1.297 -6.313 1.00 0.00 H new ATOM 0 HB3 SER A 25 15.469 -2.808 -5.530 1.00 0.00 H new ATOM 0 HG SER A 25 15.710 -2.924 -7.846 1.00 0.00 H new ATOM 407 N ARG A 26 13.250 -4.369 -4.179 1.00 0.00 N ATOM 408 CA ARG A 26 12.916 -5.783 -3.844 1.00 0.00 C ATOM 409 C ARG A 26 11.573 -5.849 -3.111 1.00 0.00 C ATOM 410 O ARG A 26 10.877 -6.843 -3.160 1.00 0.00 O ATOM 411 CB ARG A 26 14.049 -6.251 -2.929 1.00 0.00 C ATOM 412 CG ARG A 26 14.749 -7.457 -3.560 1.00 0.00 C ATOM 413 CD ARG A 26 13.928 -8.721 -3.296 1.00 0.00 C ATOM 414 NE ARG A 26 14.835 -9.614 -2.523 1.00 0.00 N ATOM 415 CZ ARG A 26 14.485 -10.848 -2.283 1.00 0.00 C ATOM 416 NH1 ARG A 26 13.751 -11.498 -3.144 1.00 0.00 N ATOM 417 NH2 ARG A 26 14.871 -11.433 -1.182 1.00 0.00 N ATOM 0 H ARG A 26 13.690 -3.837 -3.428 1.00 0.00 H new ATOM 0 HA ARG A 26 12.825 -6.408 -4.732 1.00 0.00 H new ATOM 0 HB2 ARG A 26 14.763 -5.442 -2.774 1.00 0.00 H new ATOM 0 HB3 ARG A 26 13.653 -6.518 -1.949 1.00 0.00 H new ATOM 0 HG2 ARG A 26 14.864 -7.303 -4.633 1.00 0.00 H new ATOM 0 HG3 ARG A 26 15.751 -7.568 -3.144 1.00 0.00 H new ATOM 0 HD2 ARG A 26 13.023 -8.494 -2.732 1.00 0.00 H new ATOM 0 HD3 ARG A 26 13.613 -9.189 -4.229 1.00 0.00 H new ATOM 0 HE ARG A 26 15.729 -9.261 -2.181 1.00 0.00 H new ATOM 0 HH11 ARG A 26 13.450 -11.042 -4.005 1.00 0.00 H new ATOM 0 HH12 ARG A 26 13.478 -12.463 -2.956 1.00 0.00 H new ATOM 0 HH21 ARG A 26 15.446 -10.926 -0.509 1.00 0.00 H new ATOM 0 HH22 ARG A 26 14.598 -12.398 -0.994 1.00 0.00 H new ATOM 431 N PHE A 27 11.205 -4.796 -2.435 1.00 0.00 N ATOM 432 CA PHE A 27 9.906 -4.798 -1.701 1.00 0.00 C ATOM 433 C PHE A 27 8.790 -4.263 -2.601 1.00 0.00 C ATOM 434 O PHE A 27 7.629 -4.566 -2.414 1.00 0.00 O ATOM 435 CB PHE A 27 10.126 -3.867 -0.507 1.00 0.00 C ATOM 436 CG PHE A 27 9.897 -4.622 0.765 1.00 0.00 C ATOM 437 CD1 PHE A 27 10.959 -5.278 1.377 1.00 0.00 C ATOM 438 CD2 PHE A 27 8.625 -4.659 1.325 1.00 0.00 C ATOM 439 CE1 PHE A 27 10.751 -5.984 2.568 1.00 0.00 C ATOM 440 CE2 PHE A 27 8.406 -5.363 2.516 1.00 0.00 C ATOM 441 CZ PHE A 27 9.472 -6.027 3.139 1.00 0.00 C ATOM 0 H PHE A 27 11.746 -3.935 -2.358 1.00 0.00 H new ATOM 0 HA PHE A 27 9.609 -5.799 -1.388 1.00 0.00 H new ATOM 0 HB2 PHE A 27 11.139 -3.466 -0.527 1.00 0.00 H new ATOM 0 HB3 PHE A 27 9.446 -3.017 -0.565 1.00 0.00 H new ATOM 0 HD1 PHE A 27 11.943 -5.243 0.934 1.00 0.00 H new ATOM 0 HD2 PHE A 27 7.807 -4.146 0.842 1.00 0.00 H new ATOM 0 HE1 PHE A 27 11.574 -6.494 3.046 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.419 -5.394 2.953 1.00 0.00 H new ATOM 0 HZ PHE A 27 9.308 -6.571 4.058 1.00 0.00 H new ATOM 451 N ASN A 28 9.134 -3.467 -3.578 1.00 0.00 N ATOM 452 CA ASN A 28 8.092 -2.913 -4.490 1.00 0.00 C ATOM 453 C ASN A 28 7.697 -3.955 -5.538 1.00 0.00 C ATOM 454 O ASN A 28 6.709 -4.647 -5.400 1.00 0.00 O ATOM 455 CB ASN A 28 8.751 -1.706 -5.156 1.00 0.00 C ATOM 456 CG ASN A 28 7.816 -1.138 -6.225 1.00 0.00 C ATOM 457 OD1 ASN A 28 8.101 -1.220 -7.403 1.00 0.00 O ATOM 458 ND2 ASN A 28 6.702 -0.563 -5.863 1.00 0.00 N ATOM 0 H ASN A 28 10.090 -3.177 -3.784 1.00 0.00 H new ATOM 0 HA ASN A 28 7.181 -2.639 -3.958 1.00 0.00 H new ATOM 0 HB2 ASN A 28 8.974 -0.943 -4.410 1.00 0.00 H new ATOM 0 HB3 ASN A 28 9.700 -1.999 -5.606 1.00 0.00 H new ATOM 0 HD21 ASN A 28 6.071 -0.183 -6.569 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.462 -0.494 -4.874 1.00 0.00 H new ATOM 465 N SER A 29 8.465 -4.071 -6.586 1.00 0.00 N ATOM 466 CA SER A 29 8.137 -5.067 -7.647 1.00 0.00 C ATOM 467 C SER A 29 7.692 -6.388 -7.014 1.00 0.00 C ATOM 468 O SER A 29 6.884 -7.109 -7.564 1.00 0.00 O ATOM 469 CB SER A 29 9.438 -5.258 -8.426 1.00 0.00 C ATOM 470 OG SER A 29 9.304 -6.371 -9.298 1.00 0.00 O ATOM 0 H SER A 29 9.306 -3.519 -6.754 1.00 0.00 H new ATOM 0 HA SER A 29 7.322 -4.733 -8.289 1.00 0.00 H new ATOM 0 HB2 SER A 29 9.668 -4.359 -8.998 1.00 0.00 H new ATOM 0 HB3 SER A 29 10.267 -5.419 -7.737 1.00 0.00 H new ATOM 0 HG SER A 29 10.136 -6.495 -9.800 1.00 0.00 H new ATOM 476 N GLY A 30 8.213 -6.711 -5.862 1.00 0.00 N ATOM 477 CA GLY A 30 7.818 -7.985 -5.197 1.00 0.00 C ATOM 478 C GLY A 30 6.326 -7.959 -4.901 1.00 0.00 C ATOM 479 O GLY A 30 5.651 -8.967 -4.955 1.00 0.00 O ATOM 0 H GLY A 30 8.895 -6.148 -5.353 1.00 0.00 H new ATOM 0 HA2 GLY A 30 8.058 -8.833 -5.839 1.00 0.00 H new ATOM 0 HA3 GLY A 30 8.381 -8.116 -4.273 1.00 0.00 H new ATOM 483 N TYR A 31 5.805 -6.809 -4.604 1.00 0.00 N ATOM 484 CA TYR A 31 4.351 -6.700 -4.317 1.00 0.00 C ATOM 485 C TYR A 31 3.552 -6.871 -5.614 1.00 0.00 C ATOM 486 O TYR A 31 2.340 -6.803 -5.618 1.00 0.00 O ATOM 487 CB TYR A 31 4.169 -5.293 -3.753 1.00 0.00 C ATOM 488 CG TYR A 31 2.781 -5.156 -3.181 1.00 0.00 C ATOM 489 CD1 TYR A 31 2.341 -6.049 -2.199 1.00 0.00 C ATOM 490 CD2 TYR A 31 1.934 -4.137 -3.632 1.00 0.00 C ATOM 491 CE1 TYR A 31 1.052 -5.926 -1.667 1.00 0.00 C ATOM 492 CE2 TYR A 31 0.645 -4.012 -3.100 1.00 0.00 C ATOM 493 CZ TYR A 31 0.204 -4.906 -2.117 1.00 0.00 C ATOM 494 OH TYR A 31 -1.066 -4.784 -1.593 1.00 0.00 O ATOM 0 H TYR A 31 6.325 -5.933 -4.547 1.00 0.00 H new ATOM 0 HA TYR A 31 4.001 -7.464 -3.623 1.00 0.00 H new ATOM 0 HB2 TYR A 31 4.913 -5.101 -2.980 1.00 0.00 H new ATOM 0 HB3 TYR A 31 4.325 -4.552 -4.537 1.00 0.00 H new ATOM 0 HD1 TYR A 31 2.996 -6.834 -1.851 1.00 0.00 H new ATOM 0 HD2 TYR A 31 2.275 -3.447 -4.390 1.00 0.00 H new ATOM 0 HE1 TYR A 31 0.712 -6.617 -0.910 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -0.009 -3.226 -3.448 1.00 0.00 H new ATOM 0 HH TYR A 31 -1.522 -4.025 -2.013 1.00 0.00 H new ATOM 504 N ILE A 32 4.222 -7.092 -6.716 1.00 0.00 N ATOM 505 CA ILE A 32 3.496 -7.265 -8.006 1.00 0.00 C ATOM 506 C ILE A 32 3.185 -8.745 -8.242 1.00 0.00 C ATOM 507 O ILE A 32 2.304 -9.090 -9.006 1.00 0.00 O ATOM 508 CB ILE A 32 4.455 -6.742 -9.074 1.00 0.00 C ATOM 509 CG1 ILE A 32 4.909 -5.329 -8.701 1.00 0.00 C ATOM 510 CG2 ILE A 32 3.745 -6.708 -10.427 1.00 0.00 C ATOM 511 CD1 ILE A 32 3.710 -4.381 -8.734 1.00 0.00 C ATOM 0 H ILE A 32 5.238 -7.160 -6.776 1.00 0.00 H new ATOM 0 HA ILE A 32 2.544 -6.734 -8.019 1.00 0.00 H new ATOM 0 HB ILE A 32 5.322 -7.399 -9.137 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.357 -5.330 -7.708 1.00 0.00 H new ATOM 0 HG13 ILE A 32 5.676 -4.987 -9.396 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.430 -6.335 -11.188 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.420 -7.714 -10.693 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.877 -6.051 -10.366 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.034 -3.375 -8.468 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.281 -4.371 -9.736 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.958 -4.720 -8.021 1.00 0.00 H new ATOM 523 N LYS A 33 3.899 -9.623 -7.592 1.00 0.00 N ATOM 524 CA LYS A 33 3.642 -11.079 -7.778 1.00 0.00 C ATOM 525 C LYS A 33 2.520 -11.542 -6.846 1.00 0.00 C ATOM 526 O LYS A 33 1.863 -12.534 -7.094 1.00 0.00 O ATOM 527 CB LYS A 33 4.960 -11.764 -7.413 1.00 0.00 C ATOM 528 CG LYS A 33 5.918 -11.699 -8.604 1.00 0.00 C ATOM 529 CD LYS A 33 7.258 -12.326 -8.216 1.00 0.00 C ATOM 530 CE LYS A 33 7.623 -13.418 -9.226 1.00 0.00 C ATOM 531 NZ LYS A 33 8.876 -14.026 -8.698 1.00 0.00 N ATOM 0 H LYS A 33 4.649 -9.395 -6.940 1.00 0.00 H new ATOM 0 HA LYS A 33 3.327 -11.316 -8.794 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.407 -11.277 -6.546 1.00 0.00 H new ATOM 0 HB3 LYS A 33 4.778 -12.802 -7.136 1.00 0.00 H new ATOM 0 HG2 LYS A 33 5.491 -12.227 -9.457 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.064 -10.663 -8.911 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.036 -11.563 -8.193 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.197 -12.749 -7.213 1.00 0.00 H new ATOM 0 HE2 LYS A 33 6.829 -14.160 -9.310 1.00 0.00 H new ATOM 0 HE3 LYS A 33 7.775 -13.000 -10.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 9.190 -14.784 -9.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 9.616 -13.298 -8.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 8.699 -14.421 -7.752 1.00 0.00 H new ATOM 545 N ALA A 34 2.294 -10.832 -5.776 1.00 0.00 N ATOM 546 CA ALA A 34 1.214 -11.231 -4.829 1.00 0.00 C ATOM 547 C ALA A 34 -0.003 -10.318 -4.999 1.00 0.00 C ATOM 548 O ALA A 34 -1.123 -10.701 -4.724 1.00 0.00 O ATOM 549 CB ALA A 34 1.823 -11.060 -3.437 1.00 0.00 C ATOM 0 H ALA A 34 2.811 -9.992 -5.516 1.00 0.00 H new ATOM 0 HA ALA A 34 0.871 -12.251 -5.001 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.087 -11.335 -2.682 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.698 -11.702 -3.341 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.118 -10.021 -3.294 1.00 0.00 H new ATOM 555 N SER A 35 0.206 -9.112 -5.450 1.00 0.00 N ATOM 556 CA SER A 35 -0.941 -8.178 -5.638 1.00 0.00 C ATOM 557 C SER A 35 -2.083 -8.890 -6.365 1.00 0.00 C ATOM 558 O SER A 35 -3.239 -8.552 -6.208 1.00 0.00 O ATOM 559 CB SER A 35 -0.391 -7.036 -6.490 1.00 0.00 C ATOM 560 OG SER A 35 -0.308 -5.858 -5.699 1.00 0.00 O ATOM 0 H SER A 35 1.120 -8.733 -5.696 1.00 0.00 H new ATOM 0 HA SER A 35 -1.341 -7.818 -4.690 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.594 -7.298 -6.878 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.037 -6.865 -7.351 1.00 0.00 H new ATOM 0 HG SER A 35 0.611 -5.743 -5.379 1.00 0.00 H new ATOM 566 N GLN A 36 -1.768 -9.883 -7.150 1.00 0.00 N ATOM 567 CA GLN A 36 -2.838 -10.624 -7.876 1.00 0.00 C ATOM 568 C GLN A 36 -3.505 -11.615 -6.925 1.00 0.00 C ATOM 569 O GLN A 36 -4.706 -11.800 -6.938 1.00 0.00 O ATOM 570 CB GLN A 36 -2.123 -11.367 -9.006 1.00 0.00 C ATOM 571 CG GLN A 36 -3.106 -11.627 -10.149 1.00 0.00 C ATOM 572 CD GLN A 36 -2.758 -12.951 -10.831 1.00 0.00 C ATOM 573 OE1 GLN A 36 -1.687 -13.490 -10.628 1.00 0.00 O ATOM 574 NE2 GLN A 36 -3.623 -13.503 -11.637 1.00 0.00 N ATOM 0 H GLN A 36 -0.818 -10.213 -7.320 1.00 0.00 H new ATOM 0 HA GLN A 36 -3.614 -9.963 -8.261 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -1.279 -10.778 -9.365 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.720 -12.310 -8.637 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -4.126 -11.661 -9.765 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -3.064 -10.812 -10.871 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -4.522 -13.051 -11.808 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -3.401 -14.386 -12.096 1.00 0.00 H new ATOM 583 N GLU A 37 -2.728 -12.247 -6.096 1.00 0.00 N ATOM 584 CA GLU A 37 -3.301 -13.226 -5.128 1.00 0.00 C ATOM 585 C GLU A 37 -4.115 -12.489 -4.062 1.00 0.00 C ATOM 586 O GLU A 37 -5.008 -13.045 -3.455 1.00 0.00 O ATOM 587 CB GLU A 37 -2.091 -13.917 -4.498 1.00 0.00 C ATOM 588 CG GLU A 37 -2.546 -15.196 -3.790 1.00 0.00 C ATOM 589 CD GLU A 37 -3.094 -14.845 -2.406 1.00 0.00 C ATOM 590 OE1 GLU A 37 -2.742 -13.791 -1.900 1.00 0.00 O ATOM 591 OE2 GLU A 37 -3.858 -15.634 -1.875 1.00 0.00 O ATOM 0 H GLU A 37 -1.716 -12.129 -6.044 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.971 -13.940 -5.606 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.354 -14.156 -5.265 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.606 -13.248 -3.787 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -3.313 -15.698 -4.380 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -1.711 -15.890 -3.697 1.00 0.00 H new ATOM 598 N LEU A 38 -3.813 -11.240 -3.830 1.00 0.00 N ATOM 599 CA LEU A 38 -4.572 -10.468 -2.804 1.00 0.00 C ATOM 600 C LEU A 38 -5.945 -10.073 -3.352 1.00 0.00 C ATOM 601 O LEU A 38 -6.901 -9.932 -2.615 1.00 0.00 O ATOM 602 CB LEU A 38 -3.724 -9.226 -2.533 1.00 0.00 C ATOM 603 CG LEU A 38 -2.839 -9.467 -1.308 1.00 0.00 C ATOM 604 CD1 LEU A 38 -1.368 -9.327 -1.704 1.00 0.00 C ATOM 605 CD2 LEU A 38 -3.176 -8.438 -0.227 1.00 0.00 C ATOM 0 H LEU A 38 -3.075 -10.721 -4.306 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.746 -11.046 -1.896 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.106 -8.998 -3.402 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.368 -8.363 -2.365 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.017 -10.471 -0.923 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.738 -9.499 -0.831 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.127 -10.059 -2.475 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.189 -8.323 -2.089 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.546 -8.608 0.646 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.998 -7.434 -0.612 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.224 -8.538 0.056 1.00 0.00 H new ATOM 617 N VAL A 39 -6.049 -9.897 -4.640 1.00 0.00 N ATOM 618 CA VAL A 39 -7.361 -9.514 -5.235 1.00 0.00 C ATOM 619 C VAL A 39 -8.271 -10.739 -5.334 1.00 0.00 C ATOM 620 O VAL A 39 -9.481 -10.629 -5.333 1.00 0.00 O ATOM 621 CB VAL A 39 -7.023 -8.982 -6.627 1.00 0.00 C ATOM 622 CG1 VAL A 39 -8.296 -8.917 -7.474 1.00 0.00 C ATOM 623 CG2 VAL A 39 -6.423 -7.580 -6.504 1.00 0.00 C ATOM 0 H VAL A 39 -5.284 -10.002 -5.306 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.889 -8.774 -4.634 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.303 -9.647 -7.104 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -8.054 -8.537 -8.467 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.726 -9.915 -7.562 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -9.017 -8.252 -6.997 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -6.181 -7.199 -7.496 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.144 -6.916 -6.026 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.516 -7.624 -5.902 1.00 0.00 H new ATOM 633 N SER A 40 -7.698 -11.909 -5.416 1.00 0.00 N ATOM 634 CA SER A 40 -8.530 -13.143 -5.511 1.00 0.00 C ATOM 635 C SER A 40 -9.024 -13.553 -4.122 1.00 0.00 C ATOM 636 O SER A 40 -10.040 -14.204 -3.981 1.00 0.00 O ATOM 637 CB SER A 40 -7.595 -14.207 -6.083 1.00 0.00 C ATOM 638 OG SER A 40 -8.305 -14.997 -7.028 1.00 0.00 O ATOM 0 H SER A 40 -6.690 -12.064 -5.421 1.00 0.00 H new ATOM 0 HA SER A 40 -9.413 -13.000 -6.133 1.00 0.00 H new ATOM 0 HB2 SER A 40 -6.736 -13.735 -6.559 1.00 0.00 H new ATOM 0 HB3 SER A 40 -7.209 -14.837 -5.282 1.00 0.00 H new ATOM 0 HG SER A 40 -7.707 -15.680 -7.398 1.00 0.00 H new ATOM 644 N TYR A 41 -8.314 -13.175 -3.096 1.00 0.00 N ATOM 645 CA TYR A 41 -8.744 -13.542 -1.716 1.00 0.00 C ATOM 646 C TYR A 41 -9.785 -12.541 -1.208 1.00 0.00 C ATOM 647 O TYR A 41 -10.556 -12.832 -0.315 1.00 0.00 O ATOM 648 CB TYR A 41 -7.471 -13.469 -0.872 1.00 0.00 C ATOM 649 CG TYR A 41 -7.755 -13.999 0.514 1.00 0.00 C ATOM 650 CD1 TYR A 41 -7.879 -15.378 0.724 1.00 0.00 C ATOM 651 CD2 TYR A 41 -7.896 -13.113 1.587 1.00 0.00 C ATOM 652 CE1 TYR A 41 -8.141 -15.869 2.008 1.00 0.00 C ATOM 653 CE2 TYR A 41 -8.159 -13.603 2.872 1.00 0.00 C ATOM 654 CZ TYR A 41 -8.282 -14.982 3.083 1.00 0.00 C ATOM 655 OH TYR A 41 -8.541 -15.466 4.348 1.00 0.00 O ATOM 0 H TYR A 41 -7.455 -12.628 -3.152 1.00 0.00 H new ATOM 0 HA TYR A 41 -9.203 -14.530 -1.673 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -6.678 -14.051 -1.340 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -7.119 -12.439 -0.814 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -7.772 -16.062 -0.105 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -7.802 -12.050 1.424 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -8.235 -16.933 2.170 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -8.267 -12.918 3.700 1.00 0.00 H new ATOM 0 HH TYR A 41 -8.608 -14.718 4.977 1.00 0.00 H new ATOM 665 N THR A 42 -9.812 -11.363 -1.768 1.00 0.00 N ATOM 666 CA THR A 42 -10.802 -10.344 -1.315 1.00 0.00 C ATOM 667 C THR A 42 -11.985 -10.280 -2.288 1.00 0.00 C ATOM 668 O THR A 42 -12.927 -9.540 -2.083 1.00 0.00 O ATOM 669 CB THR A 42 -10.037 -9.021 -1.315 1.00 0.00 C ATOM 670 OG1 THR A 42 -8.671 -9.266 -1.010 1.00 0.00 O ATOM 671 CG2 THR A 42 -10.635 -8.082 -0.267 1.00 0.00 C ATOM 0 H THR A 42 -9.192 -11.062 -2.520 1.00 0.00 H new ATOM 0 HA THR A 42 -11.213 -10.578 -0.333 1.00 0.00 H new ATOM 0 HB THR A 42 -10.113 -8.558 -2.299 1.00 0.00 H new ATOM 0 HG1 THR A 42 -8.153 -9.310 -1.841 1.00 0.00 H new ATOM 0 HG21 THR A 42 -10.088 -7.139 -0.269 1.00 0.00 H new ATOM 0 HG22 THR A 42 -11.683 -7.894 -0.502 1.00 0.00 H new ATOM 0 HG23 THR A 42 -10.561 -8.542 0.718 1.00 0.00 H new ATOM 679 N ILE A 43 -11.945 -11.047 -3.344 1.00 0.00 N ATOM 680 CA ILE A 43 -13.070 -11.024 -4.322 1.00 0.00 C ATOM 681 C ILE A 43 -14.217 -11.905 -3.826 1.00 0.00 C ATOM 682 O ILE A 43 -15.374 -11.532 -3.880 1.00 0.00 O ATOM 683 CB ILE A 43 -12.474 -11.573 -5.624 1.00 0.00 C ATOM 684 CG1 ILE A 43 -13.319 -11.098 -6.809 1.00 0.00 C ATOM 685 CG2 ILE A 43 -12.452 -13.104 -5.596 1.00 0.00 C ATOM 686 CD1 ILE A 43 -12.530 -11.285 -8.106 1.00 0.00 C ATOM 0 H ILE A 43 -11.184 -11.687 -3.571 1.00 0.00 H new ATOM 0 HA ILE A 43 -13.484 -10.025 -4.460 1.00 0.00 H new ATOM 0 HB ILE A 43 -11.452 -11.207 -5.727 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -14.251 -11.661 -6.854 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -13.586 -10.049 -6.681 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -12.026 -13.479 -6.527 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -11.845 -13.444 -4.757 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -13.469 -13.481 -5.485 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -13.132 -10.947 -8.950 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -11.610 -10.702 -8.059 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -12.285 -12.339 -8.234 1.00 0.00 H new ATOM 698 N LYS A 44 -13.902 -13.070 -3.344 1.00 0.00 N ATOM 699 CA LYS A 44 -14.965 -13.987 -2.840 1.00 0.00 C ATOM 700 C LYS A 44 -14.965 -14.006 -1.312 1.00 0.00 C ATOM 701 O LYS A 44 -15.436 -14.936 -0.689 1.00 0.00 O ATOM 702 CB LYS A 44 -14.593 -15.361 -3.390 1.00 0.00 C ATOM 703 CG LYS A 44 -15.358 -15.617 -4.690 1.00 0.00 C ATOM 704 CD LYS A 44 -15.619 -17.117 -4.841 1.00 0.00 C ATOM 705 CE LYS A 44 -17.003 -17.336 -5.458 1.00 0.00 C ATOM 706 NZ LYS A 44 -17.427 -18.682 -4.982 1.00 0.00 N ATOM 0 H LYS A 44 -12.951 -13.432 -3.275 1.00 0.00 H new ATOM 0 HA LYS A 44 -15.961 -13.676 -3.154 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -13.519 -15.413 -3.572 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -14.830 -16.133 -2.658 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -16.302 -15.072 -4.683 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -14.784 -15.249 -5.541 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -14.853 -17.568 -5.471 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -15.561 -17.606 -3.869 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -17.704 -16.565 -5.139 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -16.961 -17.297 -6.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -18.369 -18.904 -5.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -16.744 -19.396 -5.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -17.465 -18.687 -3.943 1.00 0.00 H new ATOM 779 N PRO A 49 -18.400 -12.110 7.002 1.00 0.00 N ATOM 780 CA PRO A 49 -17.954 -12.925 8.157 1.00 0.00 C ATOM 781 C PRO A 49 -19.113 -13.769 8.694 1.00 0.00 C ATOM 782 O PRO A 49 -18.929 -14.883 9.142 1.00 0.00 O ATOM 783 CB PRO A 49 -17.522 -11.882 9.184 1.00 0.00 C ATOM 784 CG PRO A 49 -18.285 -10.647 8.824 1.00 0.00 C ATOM 785 CD PRO A 49 -18.508 -10.689 7.336 1.00 0.00 C ATOM 0 HA PRO A 49 -17.158 -13.626 7.906 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -17.753 -12.207 10.198 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -16.447 -11.708 9.142 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -19.236 -10.612 9.356 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -17.728 -9.753 9.106 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -19.486 -10.289 7.067 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -17.764 -10.096 6.804 1.00 0.00 H new ATOM 793 N ILE A 50 -20.303 -13.242 8.650 1.00 0.00 N ATOM 794 CA ILE A 50 -21.478 -14.009 9.156 1.00 0.00 C ATOM 795 C ILE A 50 -21.828 -15.140 8.185 1.00 0.00 C ATOM 796 O ILE A 50 -22.460 -16.111 8.551 1.00 0.00 O ATOM 797 CB ILE A 50 -22.615 -12.991 9.228 1.00 0.00 C ATOM 798 CG1 ILE A 50 -22.406 -12.080 10.440 1.00 0.00 C ATOM 799 CG2 ILE A 50 -23.950 -13.724 9.365 1.00 0.00 C ATOM 800 CD1 ILE A 50 -22.529 -12.903 11.723 1.00 0.00 C ATOM 0 H ILE A 50 -20.515 -12.313 8.286 1.00 0.00 H new ATOM 0 HA ILE A 50 -21.285 -14.471 10.124 1.00 0.00 H new ATOM 0 HB ILE A 50 -22.623 -12.391 8.318 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -21.424 -11.609 10.390 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -23.144 -11.278 10.437 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -24.761 -12.997 9.416 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -24.099 -14.373 8.502 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -23.943 -14.325 10.274 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -22.380 -12.255 12.587 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -23.521 -13.353 11.773 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -21.774 -13.689 11.725 1.00 0.00 H new ATOM 812 N GLU A 51 -21.419 -15.024 6.952 1.00 0.00 N ATOM 813 CA GLU A 51 -21.725 -16.093 5.962 1.00 0.00 C ATOM 814 C GLU A 51 -20.688 -17.216 6.075 1.00 0.00 C ATOM 815 O GLU A 51 -20.945 -18.349 5.721 1.00 0.00 O ATOM 816 CB GLU A 51 -21.637 -15.397 4.601 1.00 0.00 C ATOM 817 CG GLU A 51 -21.379 -16.430 3.502 1.00 0.00 C ATOM 818 CD GLU A 51 -22.482 -17.490 3.527 1.00 0.00 C ATOM 819 OE1 GLU A 51 -23.586 -17.158 3.925 1.00 0.00 O ATOM 820 OE2 GLU A 51 -22.202 -18.616 3.146 1.00 0.00 O ATOM 0 H GLU A 51 -20.886 -14.235 6.588 1.00 0.00 H new ATOM 0 HA GLU A 51 -22.702 -16.550 6.118 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -22.563 -14.860 4.397 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -20.836 -14.658 4.612 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -21.352 -15.941 2.528 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -20.406 -16.899 3.650 1.00 0.00 H new ATOM 827 N TYR A 52 -19.521 -16.908 6.570 1.00 0.00 N ATOM 828 CA TYR A 52 -18.469 -17.955 6.710 1.00 0.00 C ATOM 829 C TYR A 52 -18.688 -18.752 7.998 1.00 0.00 C ATOM 830 O TYR A 52 -18.301 -19.899 8.103 1.00 0.00 O ATOM 831 CB TYR A 52 -17.149 -17.187 6.770 1.00 0.00 C ATOM 832 CG TYR A 52 -16.217 -17.703 5.700 1.00 0.00 C ATOM 833 CD1 TYR A 52 -16.334 -17.237 4.386 1.00 0.00 C ATOM 834 CD2 TYR A 52 -15.235 -18.647 6.024 1.00 0.00 C ATOM 835 CE1 TYR A 52 -15.469 -17.715 3.394 1.00 0.00 C ATOM 836 CE2 TYR A 52 -14.370 -19.125 5.032 1.00 0.00 C ATOM 837 CZ TYR A 52 -14.487 -18.659 3.717 1.00 0.00 C ATOM 838 OH TYR A 52 -13.635 -19.131 2.740 1.00 0.00 O ATOM 0 H TYR A 52 -19.250 -15.976 6.884 1.00 0.00 H new ATOM 0 HA TYR A 52 -18.485 -18.670 5.887 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -17.329 -16.121 6.627 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -16.692 -17.304 7.753 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -17.091 -16.509 4.137 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -15.145 -19.006 7.038 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -15.559 -17.355 2.380 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -13.612 -19.853 5.281 1.00 0.00 H new ATOM 0 HH TYR A 52 -13.014 -19.779 3.133 1.00 0.00 H new ATOM 848 N LEU A 53 -19.308 -18.153 8.979 1.00 0.00 N ATOM 849 CA LEU A 53 -19.551 -18.878 10.258 1.00 0.00 C ATOM 850 C LEU A 53 -20.758 -19.807 10.113 1.00 0.00 C ATOM 851 O LEU A 53 -20.796 -20.885 10.673 1.00 0.00 O ATOM 852 CB LEU A 53 -19.834 -17.785 11.289 1.00 0.00 C ATOM 853 CG LEU A 53 -19.242 -18.189 12.638 1.00 0.00 C ATOM 854 CD1 LEU A 53 -19.721 -19.594 13.007 1.00 0.00 C ATOM 855 CD2 LEU A 53 -17.714 -18.181 12.547 1.00 0.00 C ATOM 0 H LEU A 53 -19.656 -17.195 8.950 1.00 0.00 H new ATOM 0 HA LEU A 53 -18.704 -19.499 10.549 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -19.403 -16.840 10.960 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -20.909 -17.630 11.384 1.00 0.00 H new ATOM 0 HG LEU A 53 -19.566 -17.482 13.402 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -19.298 -19.881 13.970 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -20.809 -19.602 13.072 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -19.398 -20.301 12.243 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -17.291 -18.469 13.509 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -17.391 -18.888 11.782 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -17.370 -17.180 12.284 1.00 0.00 H new ATOM 867 N LEU A 54 -21.740 -19.399 9.361 1.00 0.00 N ATOM 868 CA LEU A 54 -22.943 -20.260 9.175 1.00 0.00 C ATOM 869 C LEU A 54 -22.609 -21.429 8.247 1.00 0.00 C ATOM 870 O LEU A 54 -23.202 -22.485 8.322 1.00 0.00 O ATOM 871 CB LEU A 54 -23.990 -19.347 8.537 1.00 0.00 C ATOM 872 CG LEU A 54 -25.253 -20.153 8.232 1.00 0.00 C ATOM 873 CD1 LEU A 54 -26.392 -19.682 9.139 1.00 0.00 C ATOM 874 CD2 LEU A 54 -25.650 -19.945 6.769 1.00 0.00 C ATOM 0 H LEU A 54 -21.763 -18.507 8.867 1.00 0.00 H new ATOM 0 HA LEU A 54 -23.298 -20.688 10.113 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -24.226 -18.522 9.209 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -23.595 -18.909 7.620 1.00 0.00 H new ATOM 0 HG LEU A 54 -25.059 -21.211 8.411 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -27.292 -20.257 8.921 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -26.111 -19.829 10.182 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -26.585 -18.624 8.961 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -26.550 -20.519 6.551 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -25.843 -18.887 6.591 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -24.840 -20.280 6.121 1.00 0.00 H new ATOM 886 N GLU A 55 -21.657 -21.247 7.374 1.00 0.00 N ATOM 887 CA GLU A 55 -21.278 -22.347 6.443 1.00 0.00 C ATOM 888 C GLU A 55 -20.465 -23.406 7.191 1.00 0.00 C ATOM 889 O GLU A 55 -20.459 -24.567 6.833 1.00 0.00 O ATOM 890 CB GLU A 55 -20.427 -21.680 5.363 1.00 0.00 C ATOM 891 CG GLU A 55 -20.601 -22.429 4.039 1.00 0.00 C ATOM 892 CD GLU A 55 -19.414 -22.128 3.123 1.00 0.00 C ATOM 893 OE1 GLU A 55 -18.326 -22.592 3.425 1.00 0.00 O ATOM 894 OE2 GLU A 55 -19.612 -21.442 2.135 1.00 0.00 O ATOM 0 H GLU A 55 -21.125 -20.384 7.265 1.00 0.00 H new ATOM 0 HA GLU A 55 -22.147 -22.850 6.019 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -20.723 -20.638 5.245 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -19.378 -21.682 5.659 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -20.670 -23.501 4.222 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -21.531 -22.127 3.558 1.00 0.00 H new ATOM 901 N GLN A 56 -19.780 -23.014 8.230 1.00 0.00 N ATOM 902 CA GLN A 56 -18.970 -23.997 9.004 1.00 0.00 C ATOM 903 C GLN A 56 -19.886 -24.886 9.848 1.00 0.00 C ATOM 904 O GLN A 56 -19.536 -25.994 10.205 1.00 0.00 O ATOM 905 CB GLN A 56 -18.068 -23.149 9.902 1.00 0.00 C ATOM 906 CG GLN A 56 -17.347 -24.054 10.903 1.00 0.00 C ATOM 907 CD GLN A 56 -15.839 -23.815 10.813 1.00 0.00 C ATOM 908 OE1 GLN A 56 -15.227 -24.094 9.802 1.00 0.00 O ATOM 909 NE2 GLN A 56 -15.210 -23.306 11.837 1.00 0.00 N ATOM 0 H GLN A 56 -19.746 -22.055 8.577 1.00 0.00 H new ATOM 0 HA GLN A 56 -18.393 -24.658 8.357 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -17.341 -22.607 9.297 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -18.662 -22.404 10.432 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -17.699 -23.849 11.914 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -17.573 -25.099 10.693 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -15.724 -23.072 12.686 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -14.204 -23.143 11.788 1.00 0.00 H new ATOM 918 N ILE A 57 -21.060 -24.411 10.168 1.00 0.00 N ATOM 919 CA ILE A 57 -21.997 -25.230 10.985 1.00 0.00 C ATOM 920 C ILE A 57 -22.869 -26.096 10.065 1.00 0.00 C ATOM 921 O ILE A 57 -23.279 -27.182 10.423 1.00 0.00 O ATOM 922 CB ILE A 57 -22.818 -24.198 11.781 1.00 0.00 C ATOM 923 CG1 ILE A 57 -22.730 -24.529 13.273 1.00 0.00 C ATOM 924 CG2 ILE A 57 -24.286 -24.215 11.351 1.00 0.00 C ATOM 925 CD1 ILE A 57 -23.052 -26.008 13.489 1.00 0.00 C ATOM 0 H ILE A 57 -21.409 -23.491 9.898 1.00 0.00 H new ATOM 0 HA ILE A 57 -21.496 -25.927 11.656 1.00 0.00 H new ATOM 0 HB ILE A 57 -22.410 -23.206 11.586 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -21.731 -24.305 13.647 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -23.428 -23.908 13.835 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -24.843 -23.477 11.929 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -24.357 -23.974 10.290 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -24.705 -25.206 11.527 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -22.989 -26.243 14.552 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -24.060 -26.217 13.130 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -22.337 -26.620 12.939 1.00 0.00 H new ATOM 937 N GLN A 58 -23.149 -25.622 8.883 1.00 0.00 N ATOM 938 CA GLN A 58 -23.988 -26.416 7.940 1.00 0.00 C ATOM 939 C GLN A 58 -23.139 -27.495 7.266 1.00 0.00 C ATOM 940 O GLN A 58 -23.638 -28.517 6.840 1.00 0.00 O ATOM 941 CB GLN A 58 -24.492 -25.405 6.909 1.00 0.00 C ATOM 942 CG GLN A 58 -25.995 -25.598 6.696 1.00 0.00 C ATOM 943 CD GLN A 58 -26.761 -24.511 7.452 1.00 0.00 C ATOM 944 OE1 GLN A 58 -27.567 -23.808 6.875 1.00 0.00 O ATOM 945 NE2 GLN A 58 -26.543 -24.342 8.727 1.00 0.00 N ATOM 0 H GLN A 58 -22.834 -24.719 8.528 1.00 0.00 H new ATOM 0 HA GLN A 58 -24.810 -26.925 8.443 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -24.290 -24.390 7.251 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -23.961 -25.536 5.966 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -26.231 -25.552 5.633 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -26.299 -26.584 7.048 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -25.867 -24.932 9.211 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -27.049 -23.620 9.240 1.00 0.00 H new ATOM 954 N ASN A 59 -21.856 -27.276 7.169 1.00 0.00 N ATOM 955 CA ASN A 59 -20.972 -28.289 6.525 1.00 0.00 C ATOM 956 C ASN A 59 -20.562 -29.353 7.547 1.00 0.00 C ATOM 957 O ASN A 59 -20.311 -30.492 7.206 1.00 0.00 O ATOM 958 CB ASN A 59 -19.750 -27.503 6.050 1.00 0.00 C ATOM 959 CG ASN A 59 -19.347 -27.978 4.653 1.00 0.00 C ATOM 960 OD1 ASN A 59 -19.404 -29.157 4.362 1.00 0.00 O ATOM 961 ND2 ASN A 59 -18.939 -27.107 3.772 1.00 0.00 N ATOM 0 H ASN A 59 -21.382 -26.439 7.508 1.00 0.00 H new ATOM 0 HA ASN A 59 -21.466 -28.808 5.704 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -19.975 -26.437 6.032 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -18.922 -27.642 6.746 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -18.668 -27.415 2.838 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -18.891 -26.118 4.017 1.00 0.00 H new ATOM 968 N LEU A 60 -20.493 -28.987 8.796 1.00 0.00 N ATOM 969 CA LEU A 60 -20.101 -29.976 9.842 1.00 0.00 C ATOM 970 C LEU A 60 -21.238 -30.973 10.079 1.00 0.00 C ATOM 971 O LEU A 60 -21.018 -32.097 10.483 1.00 0.00 O ATOM 972 CB LEU A 60 -19.848 -29.143 11.098 1.00 0.00 C ATOM 973 CG LEU A 60 -18.552 -29.605 11.766 1.00 0.00 C ATOM 974 CD1 LEU A 60 -18.557 -31.130 11.890 1.00 0.00 C ATOM 975 CD2 LEU A 60 -17.357 -29.168 10.914 1.00 0.00 C ATOM 0 H LEU A 60 -20.691 -28.047 9.139 1.00 0.00 H new ATOM 0 HA LEU A 60 -19.225 -30.557 9.554 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -19.779 -28.087 10.838 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -20.683 -29.247 11.790 1.00 0.00 H new ATOM 0 HG LEU A 60 -18.476 -29.160 12.758 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -17.633 -31.459 12.366 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -19.408 -31.443 12.494 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -18.633 -31.575 10.898 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -16.432 -29.496 11.389 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -17.434 -29.614 9.923 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -17.352 -28.082 10.824 1.00 0.00 H new