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 Set 1.1: A 28 ASN : amide:sc= -0.413 X(o=-0.25,f=-0.32) USER MOD Set 1.2: A 29 SER OG : rot 180:sc= 0.166 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -0.647! C(o=-0.65!,f=-1.1!) USER MOD Single : A 25 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+ -119:sc= -0.0729 (180deg=-0.606) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) 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= 1.26 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= -0.217 (180deg=-0.217) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.348 X(o=-0.35,f=0) USER MOD Single : A 58 GLN : amide:sc= -0.0518 X(o=-0.052,f=-0.21) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 236 N ASP A 15 23.221 4.601 4.658 1.00 0.00 N ATOM 237 CA ASP A 15 22.345 3.539 4.085 1.00 0.00 C ATOM 238 C ASP A 15 20.913 4.060 3.931 1.00 0.00 C ATOM 239 O ASP A 15 20.118 3.509 3.197 1.00 0.00 O ATOM 240 CB ASP A 15 22.393 2.397 5.100 1.00 0.00 C ATOM 241 CG ASP A 15 23.057 1.175 4.464 1.00 0.00 C ATOM 242 OD1 ASP A 15 23.157 1.146 3.248 1.00 0.00 O ATOM 243 OD2 ASP A 15 23.454 0.289 5.203 1.00 0.00 O ATOM 0 HA ASP A 15 22.675 3.220 3.096 1.00 0.00 H new ATOM 0 HB2 ASP A 15 22.949 2.706 5.985 1.00 0.00 H new ATOM 0 HB3 ASP A 15 21.384 2.146 5.429 1.00 0.00 H new ATOM 248 N LYS A 16 20.581 5.120 4.617 1.00 0.00 N ATOM 249 CA LYS A 16 19.201 5.674 4.509 1.00 0.00 C ATOM 250 C LYS A 16 18.809 5.835 3.038 1.00 0.00 C ATOM 251 O LYS A 16 18.218 4.955 2.444 1.00 0.00 O ATOM 252 CB LYS A 16 19.268 7.038 5.199 1.00 0.00 C ATOM 253 CG LYS A 16 17.938 7.771 5.011 1.00 0.00 C ATOM 254 CD LYS A 16 17.239 7.915 6.364 1.00 0.00 C ATOM 255 CE LYS A 16 15.732 7.710 6.185 1.00 0.00 C ATOM 256 NZ LYS A 16 15.118 8.287 7.413 1.00 0.00 N ATOM 0 H LYS A 16 21.204 5.626 5.246 1.00 0.00 H new ATOM 0 HA LYS A 16 18.457 5.022 4.966 1.00 0.00 H new ATOM 0 HB2 LYS A 16 19.478 6.910 6.261 1.00 0.00 H new ATOM 0 HB3 LYS A 16 20.083 7.629 4.782 1.00 0.00 H new ATOM 0 HG2 LYS A 16 18.111 8.754 4.573 1.00 0.00 H new ATOM 0 HG3 LYS A 16 17.302 7.220 4.318 1.00 0.00 H new ATOM 0 HD2 LYS A 16 17.635 7.184 7.069 1.00 0.00 H new ATOM 0 HD3 LYS A 16 17.435 8.902 6.783 1.00 0.00 H new ATOM 0 HE2 LYS A 16 15.369 8.212 5.288 1.00 0.00 H new ATOM 0 HE3 LYS A 16 15.487 6.653 6.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 14.084 8.184 7.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 15.477 7.785 8.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 15.363 9.295 7.483 1.00 0.00 H new ATOM 270 N ALA A 17 19.135 6.951 2.447 1.00 0.00 N ATOM 271 CA ALA A 17 18.781 7.166 1.014 1.00 0.00 C ATOM 272 C ALA A 17 19.088 5.909 0.199 1.00 0.00 C ATOM 273 O ALA A 17 18.491 5.662 -0.829 1.00 0.00 O ATOM 274 CB ALA A 17 19.658 8.331 0.559 1.00 0.00 C ATOM 0 H ALA A 17 19.631 7.723 2.893 1.00 0.00 H new ATOM 0 HA ALA A 17 17.721 7.379 0.878 1.00 0.00 H new ATOM 0 HB1 ALA A 17 19.456 8.551 -0.489 1.00 0.00 H new ATOM 0 HB2 ALA A 17 19.437 9.211 1.164 1.00 0.00 H new ATOM 0 HB3 ALA A 17 20.708 8.064 0.677 1.00 0.00 H new ATOM 280 N LEU A 18 20.015 5.109 0.650 1.00 0.00 N ATOM 281 CA LEU A 18 20.355 3.867 -0.100 1.00 0.00 C ATOM 282 C LEU A 18 19.245 2.829 0.078 1.00 0.00 C ATOM 283 O LEU A 18 19.032 1.980 -0.764 1.00 0.00 O ATOM 284 CB LEU A 18 21.659 3.371 0.523 1.00 0.00 C ATOM 285 CG LEU A 18 22.626 2.948 -0.584 1.00 0.00 C ATOM 286 CD1 LEU A 18 21.906 2.024 -1.566 1.00 0.00 C ATOM 287 CD2 LEU A 18 23.126 4.190 -1.325 1.00 0.00 C ATOM 0 H LEU A 18 20.551 5.261 1.504 1.00 0.00 H new ATOM 0 HA LEU A 18 20.459 4.044 -1.171 1.00 0.00 H new ATOM 0 HB2 LEU A 18 22.107 4.158 1.130 1.00 0.00 H new ATOM 0 HB3 LEU A 18 21.460 2.530 1.187 1.00 0.00 H new ATOM 0 HG LEU A 18 23.473 2.421 -0.145 1.00 0.00 H new ATOM 0 HD11 LEU A 18 22.596 1.723 -2.355 1.00 0.00 H new ATOM 0 HD12 LEU A 18 21.549 1.139 -1.038 1.00 0.00 H new ATOM 0 HD13 LEU A 18 21.059 2.550 -2.006 1.00 0.00 H new ATOM 0 HD21 LEU A 18 23.815 3.890 -2.114 1.00 0.00 H new ATOM 0 HD22 LEU A 18 22.279 4.717 -1.764 1.00 0.00 H new ATOM 0 HD23 LEU A 18 23.640 4.849 -0.625 1.00 0.00 H new ATOM 299 N ALA A 19 18.536 2.893 1.171 1.00 0.00 N ATOM 300 CA ALA A 19 17.438 1.913 1.407 1.00 0.00 C ATOM 301 C ALA A 19 16.266 2.194 0.464 1.00 0.00 C ATOM 302 O ALA A 19 15.492 1.313 0.142 1.00 0.00 O ATOM 303 CB ALA A 19 17.021 2.126 2.861 1.00 0.00 C ATOM 0 H ALA A 19 18.669 3.582 1.911 1.00 0.00 H new ATOM 0 HA ALA A 19 17.754 0.887 1.221 1.00 0.00 H new ATOM 0 HB1 ALA A 19 16.213 1.439 3.112 1.00 0.00 H new ATOM 0 HB2 ALA A 19 17.873 1.940 3.515 1.00 0.00 H new ATOM 0 HB3 ALA A 19 16.679 3.152 2.995 1.00 0.00 H new ATOM 309 N VAL A 20 16.127 3.414 0.020 1.00 0.00 N ATOM 310 CA VAL A 20 15.002 3.743 -0.902 1.00 0.00 C ATOM 311 C VAL A 20 15.262 3.145 -2.288 1.00 0.00 C ATOM 312 O VAL A 20 14.346 2.875 -3.039 1.00 0.00 O ATOM 313 CB VAL A 20 14.972 5.271 -0.967 1.00 0.00 C ATOM 314 CG1 VAL A 20 16.126 5.774 -1.836 1.00 0.00 C ATOM 315 CG2 VAL A 20 13.643 5.728 -1.572 1.00 0.00 C ATOM 0 H VAL A 20 16.741 4.194 0.255 1.00 0.00 H new ATOM 0 HA VAL A 20 14.052 3.336 -0.556 1.00 0.00 H new ATOM 0 HB VAL A 20 15.075 5.677 0.039 1.00 0.00 H new ATOM 0 HG11 VAL A 20 16.101 6.863 -1.880 1.00 0.00 H new ATOM 0 HG12 VAL A 20 17.074 5.450 -1.406 1.00 0.00 H new ATOM 0 HG13 VAL A 20 16.027 5.368 -2.843 1.00 0.00 H new ATOM 0 HG21 VAL A 20 13.620 6.817 -1.619 1.00 0.00 H new ATOM 0 HG22 VAL A 20 13.541 5.319 -2.577 1.00 0.00 H new ATOM 0 HG23 VAL A 20 12.820 5.374 -0.951 1.00 0.00 H new ATOM 325 N GLU A 21 16.503 2.931 -2.631 1.00 0.00 N ATOM 326 CA GLU A 21 16.814 2.347 -3.966 1.00 0.00 C ATOM 327 C GLU A 21 16.578 0.836 -3.941 1.00 0.00 C ATOM 328 O GLU A 21 16.393 0.209 -4.965 1.00 0.00 O ATOM 329 CB GLU A 21 18.293 2.659 -4.204 1.00 0.00 C ATOM 330 CG GLU A 21 18.739 2.037 -5.529 1.00 0.00 C ATOM 331 CD GLU A 21 20.039 2.696 -5.991 1.00 0.00 C ATOM 332 OE1 GLU A 21 20.833 3.057 -5.137 1.00 0.00 O ATOM 333 OE2 GLU A 21 20.219 2.831 -7.190 1.00 0.00 O ATOM 0 H GLU A 21 17.313 3.135 -2.046 1.00 0.00 H new ATOM 0 HA GLU A 21 16.184 2.756 -4.756 1.00 0.00 H new ATOM 0 HB2 GLU A 21 18.449 3.738 -4.226 1.00 0.00 H new ATOM 0 HB3 GLU A 21 18.895 2.266 -3.385 1.00 0.00 H new ATOM 0 HG2 GLU A 21 18.886 0.964 -5.408 1.00 0.00 H new ATOM 0 HG3 GLU A 21 17.964 2.169 -6.284 1.00 0.00 H new ATOM 340 N GLN A 22 16.572 0.249 -2.776 1.00 0.00 N ATOM 341 CA GLN A 22 16.335 -1.219 -2.685 1.00 0.00 C ATOM 342 C GLN A 22 14.838 -1.499 -2.786 1.00 0.00 C ATOM 343 O GLN A 22 14.408 -2.440 -3.422 1.00 0.00 O ATOM 344 CB GLN A 22 16.866 -1.632 -1.311 1.00 0.00 C ATOM 345 CG GLN A 22 17.269 -3.107 -1.341 1.00 0.00 C ATOM 346 CD GLN A 22 18.269 -3.339 -2.476 1.00 0.00 C ATOM 347 OE1 GLN A 22 19.139 -2.525 -2.711 1.00 0.00 O ATOM 348 NE2 GLN A 22 18.181 -4.426 -3.193 1.00 0.00 N ATOM 0 H GLN A 22 16.721 0.722 -1.884 1.00 0.00 H new ATOM 0 HA GLN A 22 16.828 -1.771 -3.485 1.00 0.00 H new ATOM 0 HB2 GLN A 22 17.723 -1.015 -1.040 1.00 0.00 H new ATOM 0 HB3 GLN A 22 16.103 -1.468 -0.550 1.00 0.00 H new ATOM 0 HG2 GLN A 22 17.712 -3.394 -0.387 1.00 0.00 H new ATOM 0 HG3 GLN A 22 16.388 -3.733 -1.484 1.00 0.00 H new ATOM 0 HE21 GLN A 22 17.450 -5.110 -2.995 1.00 0.00 H new ATOM 0 HE22 GLN A 22 18.843 -4.592 -3.951 1.00 0.00 H new ATOM 357 N PHE A 23 14.042 -0.678 -2.164 1.00 0.00 N ATOM 358 CA PHE A 23 12.567 -0.879 -2.221 1.00 0.00 C ATOM 359 C PHE A 23 12.069 -0.680 -3.654 1.00 0.00 C ATOM 360 O PHE A 23 11.085 -1.261 -4.067 1.00 0.00 O ATOM 361 CB PHE A 23 11.984 0.189 -1.296 1.00 0.00 C ATOM 362 CG PHE A 23 11.864 -0.367 0.103 1.00 0.00 C ATOM 363 CD1 PHE A 23 11.034 -1.467 0.350 1.00 0.00 C ATOM 364 CD2 PHE A 23 12.582 0.218 1.153 1.00 0.00 C ATOM 365 CE1 PHE A 23 10.923 -1.982 1.647 1.00 0.00 C ATOM 366 CE2 PHE A 23 12.471 -0.297 2.449 1.00 0.00 C ATOM 367 CZ PHE A 23 11.641 -1.397 2.697 1.00 0.00 C ATOM 0 H PHE A 23 14.349 0.126 -1.617 1.00 0.00 H new ATOM 0 HA PHE A 23 12.272 -1.883 -1.916 1.00 0.00 H new ATOM 0 HB2 PHE A 23 12.623 1.072 -1.294 1.00 0.00 H new ATOM 0 HB3 PHE A 23 11.006 0.504 -1.659 1.00 0.00 H new ATOM 0 HD1 PHE A 23 10.480 -1.918 -0.460 1.00 0.00 H new ATOM 0 HD2 PHE A 23 13.222 1.067 0.962 1.00 0.00 H new ATOM 0 HE1 PHE A 23 10.283 -2.831 1.838 1.00 0.00 H new ATOM 0 HE2 PHE A 23 13.026 0.154 3.258 1.00 0.00 H new ATOM 0 HZ PHE A 23 11.555 -1.794 3.698 1.00 0.00 H new ATOM 377 N ILE A 24 12.743 0.138 -4.419 1.00 0.00 N ATOM 378 CA ILE A 24 12.308 0.369 -5.826 1.00 0.00 C ATOM 379 C ILE A 24 12.545 -0.889 -6.665 1.00 0.00 C ATOM 380 O ILE A 24 11.732 -1.260 -7.488 1.00 0.00 O ATOM 381 CB ILE A 24 13.181 1.521 -6.327 1.00 0.00 C ATOM 382 CG1 ILE A 24 12.690 2.835 -5.715 1.00 0.00 C ATOM 383 CG2 ILE A 24 13.090 1.605 -7.852 1.00 0.00 C ATOM 384 CD1 ILE A 24 13.380 4.011 -6.408 1.00 0.00 C ATOM 0 H ILE A 24 13.574 0.655 -4.130 1.00 0.00 H new ATOM 0 HA ILE A 24 11.246 0.603 -5.897 1.00 0.00 H new ATOM 0 HB ILE A 24 14.216 1.346 -6.034 1.00 0.00 H new ATOM 0 HG12 ILE A 24 11.609 2.918 -5.825 1.00 0.00 H new ATOM 0 HG13 ILE A 24 12.904 2.853 -4.646 1.00 0.00 H new ATOM 0 HG21 ILE A 24 13.712 2.426 -8.209 1.00 0.00 H new ATOM 0 HG22 ILE A 24 13.438 0.669 -8.289 1.00 0.00 H new ATOM 0 HG23 ILE A 24 12.055 1.780 -8.146 1.00 0.00 H new ATOM 0 HD11 ILE A 24 13.030 4.947 -5.972 1.00 0.00 H new ATOM 0 HD12 ILE A 24 14.459 3.930 -6.275 1.00 0.00 H new ATOM 0 HD13 ILE A 24 13.144 3.996 -7.472 1.00 0.00 H new ATOM 396 N SER A 25 13.652 -1.549 -6.460 1.00 0.00 N ATOM 397 CA SER A 25 13.937 -2.785 -7.244 1.00 0.00 C ATOM 398 C SER A 25 13.028 -3.925 -6.776 1.00 0.00 C ATOM 399 O SER A 25 12.818 -4.894 -7.479 1.00 0.00 O ATOM 400 CB SER A 25 15.401 -3.111 -6.953 1.00 0.00 C ATOM 401 OG SER A 25 15.869 -4.060 -7.902 1.00 0.00 O ATOM 0 H SER A 25 14.370 -1.287 -5.785 1.00 0.00 H new ATOM 0 HA SER A 25 13.756 -2.650 -8.310 1.00 0.00 H new ATOM 0 HB2 SER A 25 16.004 -2.204 -7.001 1.00 0.00 H new ATOM 0 HB3 SER A 25 15.503 -3.509 -5.943 1.00 0.00 H new ATOM 0 HG SER A 25 16.809 -4.270 -7.719 1.00 0.00 H new ATOM 407 N ARG A 26 12.488 -3.815 -5.594 1.00 0.00 N ATOM 408 CA ARG A 26 11.591 -4.890 -5.080 1.00 0.00 C ATOM 409 C ARG A 26 10.126 -4.480 -5.247 1.00 0.00 C ATOM 410 O ARG A 26 9.223 -5.244 -4.977 1.00 0.00 O ATOM 411 CB ARG A 26 11.945 -5.027 -3.599 1.00 0.00 C ATOM 412 CG ARG A 26 11.377 -6.340 -3.057 1.00 0.00 C ATOM 413 CD ARG A 26 11.487 -6.353 -1.531 1.00 0.00 C ATOM 414 NE ARG A 26 10.297 -7.118 -1.066 1.00 0.00 N ATOM 415 CZ ARG A 26 9.794 -6.888 0.116 1.00 0.00 C ATOM 416 NH1 ARG A 26 10.294 -7.482 1.164 1.00 0.00 N ATOM 417 NH2 ARG A 26 8.791 -6.064 0.249 1.00 0.00 N ATOM 0 H ARG A 26 12.629 -3.028 -4.961 1.00 0.00 H new ATOM 0 HA ARG A 26 11.721 -5.829 -5.618 1.00 0.00 H new ATOM 0 HB2 ARG A 26 13.027 -5.006 -3.470 1.00 0.00 H new ATOM 0 HB3 ARG A 26 11.540 -4.185 -3.038 1.00 0.00 H new ATOM 0 HG2 ARG A 26 10.335 -6.449 -3.358 1.00 0.00 H new ATOM 0 HG3 ARG A 26 11.921 -7.185 -3.479 1.00 0.00 H new ATOM 0 HD2 ARG A 26 12.413 -6.827 -1.206 1.00 0.00 H new ATOM 0 HD3 ARG A 26 11.488 -5.341 -1.127 1.00 0.00 H new ATOM 0 HE ARG A 26 9.875 -7.822 -1.672 1.00 0.00 H new ATOM 0 HH11 ARG A 26 11.078 -8.126 1.060 1.00 0.00 H new ATOM 0 HH12 ARG A 26 9.901 -7.302 2.088 1.00 0.00 H new ATOM 0 HH21 ARG A 26 8.400 -5.600 -0.571 1.00 0.00 H new ATOM 0 HH22 ARG A 26 8.398 -5.884 1.173 1.00 0.00 H new ATOM 431 N PHE A 27 9.885 -3.276 -5.691 1.00 0.00 N ATOM 432 CA PHE A 27 8.478 -2.817 -5.876 1.00 0.00 C ATOM 433 C PHE A 27 7.993 -3.159 -7.288 1.00 0.00 C ATOM 434 O PHE A 27 6.816 -3.343 -7.522 1.00 0.00 O ATOM 435 CB PHE A 27 8.526 -1.303 -5.679 1.00 0.00 C ATOM 436 CG PHE A 27 7.651 -0.920 -4.526 1.00 0.00 C ATOM 437 CD1 PHE A 27 8.184 -0.872 -3.242 1.00 0.00 C ATOM 438 CD2 PHE A 27 6.313 -0.614 -4.747 1.00 0.00 C ATOM 439 CE1 PHE A 27 7.371 -0.513 -2.161 1.00 0.00 C ATOM 440 CE2 PHE A 27 5.490 -0.255 -3.672 1.00 0.00 C ATOM 441 CZ PHE A 27 6.021 -0.205 -2.376 1.00 0.00 C ATOM 0 H PHE A 27 10.601 -2.591 -5.933 1.00 0.00 H new ATOM 0 HA PHE A 27 7.792 -3.297 -5.178 1.00 0.00 H new ATOM 0 HB2 PHE A 27 9.551 -0.982 -5.493 1.00 0.00 H new ATOM 0 HB3 PHE A 27 8.193 -0.797 -6.585 1.00 0.00 H new ATOM 0 HD1 PHE A 27 9.224 -1.112 -3.079 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.908 -0.653 -5.748 1.00 0.00 H new ATOM 0 HE1 PHE A 27 7.783 -0.473 -1.163 1.00 0.00 H new ATOM 0 HE2 PHE A 27 4.450 -0.018 -3.841 1.00 0.00 H new ATOM 0 HZ PHE A 27 5.390 0.071 -1.544 1.00 0.00 H new ATOM 451 N ASN A 28 8.894 -3.247 -8.228 1.00 0.00 N ATOM 452 CA ASN A 28 8.484 -3.578 -9.623 1.00 0.00 C ATOM 453 C ASN A 28 8.168 -5.072 -9.742 1.00 0.00 C ATOM 454 O ASN A 28 7.045 -5.495 -9.555 1.00 0.00 O ATOM 455 CB ASN A 28 9.690 -3.214 -10.487 1.00 0.00 C ATOM 456 CG ASN A 28 9.440 -3.659 -11.929 1.00 0.00 C ATOM 457 OD1 ASN A 28 8.402 -3.374 -12.493 1.00 0.00 O ATOM 458 ND2 ASN A 28 10.353 -4.352 -12.553 1.00 0.00 N ATOM 0 H ASN A 28 9.895 -3.104 -8.091 1.00 0.00 H new ATOM 0 HA ASN A 28 7.587 -3.039 -9.928 1.00 0.00 H new ATOM 0 HB2 ASN A 28 9.864 -2.138 -10.452 1.00 0.00 H new ATOM 0 HB3 ASN A 28 10.588 -3.695 -10.098 1.00 0.00 H new ATOM 0 HD21 ASN A 28 10.195 -4.654 -13.514 1.00 0.00 H new ATOM 0 HD22 ASN A 28 11.224 -4.591 -12.079 1.00 0.00 H new ATOM 465 N SER A 29 9.150 -5.872 -10.053 1.00 0.00 N ATOM 466 CA SER A 29 8.905 -7.338 -10.185 1.00 0.00 C ATOM 467 C SER A 29 8.437 -7.918 -8.847 1.00 0.00 C ATOM 468 O SER A 29 7.805 -8.955 -8.798 1.00 0.00 O ATOM 469 CB SER A 29 10.256 -7.931 -10.583 1.00 0.00 C ATOM 470 OG SER A 29 11.006 -6.955 -11.296 1.00 0.00 O ATOM 0 H SER A 29 10.111 -5.576 -10.222 1.00 0.00 H new ATOM 0 HA SER A 29 8.130 -7.563 -10.917 1.00 0.00 H new ATOM 0 HB2 SER A 29 10.802 -8.249 -9.695 1.00 0.00 H new ATOM 0 HB3 SER A 29 10.109 -8.817 -11.201 1.00 0.00 H new ATOM 0 HG SER A 29 11.874 -7.332 -11.551 1.00 0.00 H new ATOM 476 N GLY A 30 8.741 -7.258 -7.764 1.00 0.00 N ATOM 477 CA GLY A 30 8.312 -7.773 -6.434 1.00 0.00 C ATOM 478 C GLY A 30 6.798 -7.683 -6.318 1.00 0.00 C ATOM 479 O GLY A 30 6.160 -8.494 -5.678 1.00 0.00 O ATOM 0 H GLY A 30 9.268 -6.385 -7.743 1.00 0.00 H new ATOM 0 HA2 GLY A 30 8.636 -8.807 -6.311 1.00 0.00 H new ATOM 0 HA3 GLY A 30 8.783 -7.195 -5.639 1.00 0.00 H new ATOM 483 N TYR A 31 6.219 -6.706 -6.946 1.00 0.00 N ATOM 484 CA TYR A 31 4.741 -6.559 -6.892 1.00 0.00 C ATOM 485 C TYR A 31 4.071 -7.751 -7.584 1.00 0.00 C ATOM 486 O TYR A 31 2.865 -7.892 -7.567 1.00 0.00 O ATOM 487 CB TYR A 31 4.450 -5.264 -7.649 1.00 0.00 C ATOM 488 CG TYR A 31 2.992 -4.908 -7.494 1.00 0.00 C ATOM 489 CD1 TYR A 31 2.443 -4.765 -6.215 1.00 0.00 C ATOM 490 CD2 TYR A 31 2.192 -4.720 -8.626 1.00 0.00 C ATOM 491 CE1 TYR A 31 1.091 -4.434 -6.069 1.00 0.00 C ATOM 492 CE2 TYR A 31 0.840 -4.390 -8.480 1.00 0.00 C ATOM 493 CZ TYR A 31 0.289 -4.246 -7.201 1.00 0.00 C ATOM 494 OH TYR A 31 -1.045 -3.921 -7.057 1.00 0.00 O ATOM 0 H TYR A 31 6.706 -5.999 -7.497 1.00 0.00 H new ATOM 0 HA TYR A 31 4.360 -6.529 -5.871 1.00 0.00 H new ATOM 0 HB2 TYR A 31 5.075 -4.458 -7.265 1.00 0.00 H new ATOM 0 HB3 TYR A 31 4.696 -5.384 -8.704 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.062 -4.910 -5.342 1.00 0.00 H new ATOM 0 HD2 TYR A 31 2.618 -4.830 -9.612 1.00 0.00 H new ATOM 0 HE1 TYR A 31 0.666 -4.324 -5.082 1.00 0.00 H new ATOM 0 HE2 TYR A 31 0.222 -4.246 -9.354 1.00 0.00 H new ATOM 0 HH TYR A 31 -1.456 -3.825 -7.942 1.00 0.00 H new ATOM 504 N ILE A 32 4.845 -8.612 -8.196 1.00 0.00 N ATOM 505 CA ILE A 32 4.245 -9.790 -8.884 1.00 0.00 C ATOM 506 C ILE A 32 4.092 -10.953 -7.900 1.00 0.00 C ATOM 507 O ILE A 32 3.273 -11.832 -8.085 1.00 0.00 O ATOM 508 CB ILE A 32 5.236 -10.148 -9.991 1.00 0.00 C ATOM 509 CG1 ILE A 32 5.101 -9.145 -11.139 1.00 0.00 C ATOM 510 CG2 ILE A 32 4.939 -11.557 -10.510 1.00 0.00 C ATOM 511 CD1 ILE A 32 3.640 -9.074 -11.586 1.00 0.00 C ATOM 0 H ILE A 32 5.862 -8.549 -8.248 1.00 0.00 H new ATOM 0 HA ILE A 32 3.252 -9.578 -9.281 1.00 0.00 H new ATOM 0 HB ILE A 32 6.250 -10.114 -9.593 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.442 -8.161 -10.818 1.00 0.00 H new ATOM 0 HG13 ILE A 32 5.734 -9.445 -11.974 1.00 0.00 H new ATOM 0 HG21 ILE A 32 5.647 -11.811 -11.299 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.034 -12.273 -9.694 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.925 -11.592 -10.907 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.544 -8.360 -12.404 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.315 -10.058 -11.924 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.019 -8.754 -10.750 1.00 0.00 H new ATOM 523 N LYS A 33 4.873 -10.964 -6.854 1.00 0.00 N ATOM 524 CA LYS A 33 4.770 -12.069 -5.859 1.00 0.00 C ATOM 525 C LYS A 33 3.622 -11.796 -4.883 1.00 0.00 C ATOM 526 O LYS A 33 2.983 -12.704 -4.391 1.00 0.00 O ATOM 527 CB LYS A 33 6.111 -12.067 -5.124 1.00 0.00 C ATOM 528 CG LYS A 33 7.119 -12.920 -5.898 1.00 0.00 C ATOM 529 CD LYS A 33 6.550 -14.326 -6.099 1.00 0.00 C ATOM 530 CE LYS A 33 7.689 -15.298 -6.413 1.00 0.00 C ATOM 531 NZ LYS A 33 8.376 -15.520 -5.110 1.00 0.00 N ATOM 0 H LYS A 33 5.577 -10.256 -6.646 1.00 0.00 H new ATOM 0 HA LYS A 33 4.565 -13.031 -6.329 1.00 0.00 H new ATOM 0 HB2 LYS A 33 6.482 -11.047 -5.025 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.985 -12.460 -4.115 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.334 -12.462 -6.863 1.00 0.00 H new ATOM 0 HG3 LYS A 33 8.062 -12.972 -5.353 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.021 -14.647 -5.202 1.00 0.00 H new ATOM 0 HD3 LYS A 33 5.825 -14.323 -6.913 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.308 -16.233 -6.823 1.00 0.00 H new ATOM 0 HE3 LYS A 33 8.372 -14.880 -7.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 9.364 -15.203 -5.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 7.891 -14.980 -4.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 8.353 -16.532 -4.873 1.00 0.00 H new ATOM 545 N ALA A 34 3.356 -10.549 -4.602 1.00 0.00 N ATOM 546 CA ALA A 34 2.249 -10.218 -3.660 1.00 0.00 C ATOM 547 C ALA A 34 0.946 -9.998 -4.431 1.00 0.00 C ATOM 548 O ALA A 34 -0.135 -10.161 -3.902 1.00 0.00 O ATOM 549 CB ALA A 34 2.689 -8.925 -2.970 1.00 0.00 C ATOM 0 H ALA A 34 3.857 -9.746 -4.983 1.00 0.00 H new ATOM 0 HA ALA A 34 2.063 -11.019 -2.945 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.924 -8.614 -2.258 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.628 -9.095 -2.443 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.829 -8.143 -3.717 1.00 0.00 H new ATOM 555 N SER A 35 1.040 -9.632 -5.681 1.00 0.00 N ATOM 556 CA SER A 35 -0.197 -9.405 -6.484 1.00 0.00 C ATOM 557 C SER A 35 -1.202 -10.529 -6.223 1.00 0.00 C ATOM 558 O SER A 35 -2.397 -10.349 -6.349 1.00 0.00 O ATOM 559 CB SER A 35 0.264 -9.423 -7.940 1.00 0.00 C ATOM 560 OG SER A 35 -0.389 -8.380 -8.652 1.00 0.00 O ATOM 0 H SER A 35 1.917 -9.481 -6.180 1.00 0.00 H new ATOM 0 HA SER A 35 -0.692 -8.468 -6.229 1.00 0.00 H new ATOM 0 HB2 SER A 35 1.345 -9.294 -7.993 1.00 0.00 H new ATOM 0 HB3 SER A 35 0.036 -10.387 -8.394 1.00 0.00 H new ATOM 0 HG SER A 35 -0.094 -8.387 -9.587 1.00 0.00 H new ATOM 566 N GLN A 36 -0.726 -11.685 -5.851 1.00 0.00 N ATOM 567 CA GLN A 36 -1.656 -12.816 -5.571 1.00 0.00 C ATOM 568 C GLN A 36 -2.247 -12.655 -4.172 1.00 0.00 C ATOM 569 O GLN A 36 -3.409 -12.921 -3.938 1.00 0.00 O ATOM 570 CB GLN A 36 -0.795 -14.078 -5.645 1.00 0.00 C ATOM 571 CG GLN A 36 -1.671 -15.273 -6.023 1.00 0.00 C ATOM 572 CD GLN A 36 -0.786 -16.423 -6.508 1.00 0.00 C ATOM 573 OE1 GLN A 36 -0.470 -16.509 -7.677 1.00 0.00 O ATOM 574 NE2 GLN A 36 -0.370 -17.316 -5.652 1.00 0.00 N ATOM 0 H GLN A 36 0.265 -11.896 -5.729 1.00 0.00 H new ATOM 0 HA GLN A 36 -2.486 -12.856 -6.276 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -0.002 -13.947 -6.382 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -0.311 -14.258 -4.685 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -2.260 -15.592 -5.163 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -2.376 -14.988 -6.804 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -0.636 -17.244 -4.670 1.00 0.00 H new ATOM 0 HE22 GLN A 36 0.221 -18.086 -5.965 1.00 0.00 H new ATOM 583 N GLU A 37 -1.449 -12.213 -3.244 1.00 0.00 N ATOM 584 CA GLU A 37 -1.950 -12.022 -1.853 1.00 0.00 C ATOM 585 C GLU A 37 -2.850 -10.786 -1.790 1.00 0.00 C ATOM 586 O GLU A 37 -3.745 -10.699 -0.972 1.00 0.00 O ATOM 587 CB GLU A 37 -0.697 -11.817 -1.001 1.00 0.00 C ATOM 588 CG GLU A 37 -1.032 -12.069 0.470 1.00 0.00 C ATOM 589 CD GLU A 37 -1.229 -10.731 1.185 1.00 0.00 C ATOM 590 OE1 GLU A 37 -0.408 -9.851 0.989 1.00 0.00 O ATOM 591 OE2 GLU A 37 -2.197 -10.609 1.917 1.00 0.00 O ATOM 0 H GLU A 37 -0.468 -11.974 -3.387 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.541 -12.869 -1.505 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.092 -12.495 -1.326 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.319 -10.803 -1.130 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -1.936 -12.673 0.550 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.229 -12.633 0.945 1.00 0.00 H new ATOM 598 N LEU A 38 -2.625 -9.832 -2.652 1.00 0.00 N ATOM 599 CA LEU A 38 -3.471 -8.607 -2.643 1.00 0.00 C ATOM 600 C LEU A 38 -4.800 -8.886 -3.348 1.00 0.00 C ATOM 601 O LEU A 38 -5.810 -8.274 -3.061 1.00 0.00 O ATOM 602 CB LEU A 38 -2.665 -7.560 -3.412 1.00 0.00 C ATOM 603 CG LEU A 38 -1.818 -6.746 -2.433 1.00 0.00 C ATOM 604 CD1 LEU A 38 -2.732 -5.886 -1.558 1.00 0.00 C ATOM 605 CD2 LEU A 38 -1.013 -7.698 -1.544 1.00 0.00 C ATOM 0 H LEU A 38 -1.892 -9.849 -3.361 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.707 -8.273 -1.633 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.023 -8.047 -4.146 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.337 -6.901 -3.963 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.138 -6.102 -2.990 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.128 -5.306 -0.860 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.308 -5.209 -2.189 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.413 -6.529 -1.000 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.408 -7.120 -0.845 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.695 -8.341 -0.988 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.361 -8.312 -2.165 1.00 0.00 H new ATOM 617 N VAL A 39 -4.808 -9.813 -4.266 1.00 0.00 N ATOM 618 CA VAL A 39 -6.070 -10.138 -4.986 1.00 0.00 C ATOM 619 C VAL A 39 -6.958 -11.027 -4.112 1.00 0.00 C ATOM 620 O VAL A 39 -8.164 -11.059 -4.264 1.00 0.00 O ATOM 621 CB VAL A 39 -5.628 -10.889 -6.242 1.00 0.00 C ATOM 622 CG1 VAL A 39 -6.830 -11.606 -6.860 1.00 0.00 C ATOM 623 CG2 VAL A 39 -5.053 -9.896 -7.253 1.00 0.00 C ATOM 0 H VAL A 39 -3.994 -10.359 -4.548 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.650 -9.248 -5.229 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.866 -11.622 -5.977 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.514 -12.141 -7.755 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.241 -12.314 -6.140 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.593 -10.874 -7.125 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.738 -10.431 -8.149 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.815 -9.163 -7.517 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -4.196 -9.385 -6.814 1.00 0.00 H new ATOM 633 N SER A 40 -6.371 -11.747 -3.195 1.00 0.00 N ATOM 634 CA SER A 40 -7.182 -12.632 -2.310 1.00 0.00 C ATOM 635 C SER A 40 -7.813 -11.811 -1.184 1.00 0.00 C ATOM 636 O SER A 40 -8.850 -12.159 -0.655 1.00 0.00 O ATOM 637 CB SER A 40 -6.188 -13.644 -1.744 1.00 0.00 C ATOM 638 OG SER A 40 -6.760 -14.945 -1.801 1.00 0.00 O ATOM 0 H SER A 40 -5.366 -11.761 -3.020 1.00 0.00 H new ATOM 0 HA SER A 40 -7.997 -13.119 -2.845 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.259 -13.617 -2.314 1.00 0.00 H new ATOM 0 HB3 SER A 40 -5.938 -13.389 -0.714 1.00 0.00 H new ATOM 0 HG SER A 40 -6.124 -15.598 -1.440 1.00 0.00 H new ATOM 644 N TYR A 41 -7.198 -10.722 -0.814 1.00 0.00 N ATOM 645 CA TYR A 41 -7.766 -9.880 0.277 1.00 0.00 C ATOM 646 C TYR A 41 -8.851 -8.958 -0.284 1.00 0.00 C ATOM 647 O TYR A 41 -9.680 -8.445 0.441 1.00 0.00 O ATOM 648 CB TYR A 41 -6.585 -9.062 0.802 1.00 0.00 C ATOM 649 CG TYR A 41 -6.938 -8.474 2.147 1.00 0.00 C ATOM 650 CD1 TYR A 41 -7.834 -7.402 2.228 1.00 0.00 C ATOM 651 CD2 TYR A 41 -6.370 -9.002 3.312 1.00 0.00 C ATOM 652 CE1 TYR A 41 -8.161 -6.857 3.476 1.00 0.00 C ATOM 653 CE2 TYR A 41 -6.697 -8.457 4.560 1.00 0.00 C ATOM 654 CZ TYR A 41 -7.593 -7.384 4.642 1.00 0.00 C ATOM 655 OH TYR A 41 -7.916 -6.847 5.871 1.00 0.00 O ATOM 0 H TYR A 41 -6.327 -10.379 -1.219 1.00 0.00 H new ATOM 0 HA TYR A 41 -8.229 -10.476 1.064 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -5.702 -9.694 0.890 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -6.339 -8.266 0.099 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -8.273 -6.995 1.329 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -5.679 -9.830 3.249 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -8.852 -6.029 3.539 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -6.258 -8.864 5.459 1.00 0.00 H new ATOM 0 HH TYR A 41 -7.436 -7.330 6.575 1.00 0.00 H new ATOM 665 N THR A 42 -8.851 -8.742 -1.571 1.00 0.00 N ATOM 666 CA THR A 42 -9.882 -7.852 -2.179 1.00 0.00 C ATOM 667 C THR A 42 -10.944 -8.682 -2.908 1.00 0.00 C ATOM 668 O THR A 42 -11.861 -8.148 -3.500 1.00 0.00 O ATOM 669 CB THR A 42 -9.114 -6.977 -3.168 1.00 0.00 C ATOM 670 OG1 THR A 42 -7.880 -6.578 -2.587 1.00 0.00 O ATOM 671 CG2 THR A 42 -9.944 -5.739 -3.510 1.00 0.00 C ATOM 0 H THR A 42 -8.182 -9.143 -2.228 1.00 0.00 H new ATOM 0 HA THR A 42 -10.407 -7.260 -1.429 1.00 0.00 H new ATOM 0 HB THR A 42 -8.920 -7.543 -4.079 1.00 0.00 H new ATOM 0 HG1 THR A 42 -7.164 -7.166 -2.905 1.00 0.00 H new ATOM 0 HG21 THR A 42 -9.394 -5.116 -4.216 1.00 0.00 H new ATOM 0 HG22 THR A 42 -10.889 -6.047 -3.957 1.00 0.00 H new ATOM 0 HG23 THR A 42 -10.141 -5.170 -2.601 1.00 0.00 H new ATOM 679 N ILE A 43 -10.829 -9.980 -2.873 1.00 0.00 N ATOM 680 CA ILE A 43 -11.836 -10.835 -3.565 1.00 0.00 C ATOM 681 C ILE A 43 -13.031 -11.087 -2.645 1.00 0.00 C ATOM 682 O ILE A 43 -14.173 -11.016 -3.051 1.00 0.00 O ATOM 683 CB ILE A 43 -11.097 -12.140 -3.880 1.00 0.00 C ATOM 684 CG1 ILE A 43 -11.809 -12.864 -5.025 1.00 0.00 C ATOM 685 CG2 ILE A 43 -11.069 -13.046 -2.645 1.00 0.00 C ATOM 686 CD1 ILE A 43 -10.825 -13.802 -5.726 1.00 0.00 C ATOM 0 H ILE A 43 -10.083 -10.486 -2.396 1.00 0.00 H new ATOM 0 HA ILE A 43 -12.231 -10.370 -4.468 1.00 0.00 H new ATOM 0 HB ILE A 43 -10.073 -11.905 -4.170 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -12.657 -13.431 -4.640 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -12.207 -12.140 -5.736 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -10.541 -13.969 -2.883 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -10.556 -12.535 -1.830 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -12.090 -13.279 -2.342 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -11.332 -14.318 -6.542 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -9.992 -13.223 -6.125 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -10.449 -14.534 -5.012 1.00 0.00 H new ATOM 698 N LYS A 44 -12.766 -11.383 -1.406 1.00 0.00 N ATOM 699 CA LYS A 44 -13.875 -11.646 -0.443 1.00 0.00 C ATOM 700 C LYS A 44 -13.934 -10.542 0.613 1.00 0.00 C ATOM 701 O LYS A 44 -14.385 -10.752 1.722 1.00 0.00 O ATOM 702 CB LYS A 44 -13.515 -12.976 0.207 1.00 0.00 C ATOM 703 CG LYS A 44 -14.056 -14.128 -0.643 1.00 0.00 C ATOM 704 CD LYS A 44 -15.573 -13.988 -0.785 1.00 0.00 C ATOM 705 CE LYS A 44 -15.940 -13.894 -2.268 1.00 0.00 C ATOM 706 NZ LYS A 44 -17.426 -13.792 -2.289 1.00 0.00 N ATOM 0 H LYS A 44 -11.827 -11.455 -1.014 1.00 0.00 H new ATOM 0 HA LYS A 44 -14.849 -11.672 -0.932 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.433 -13.062 0.307 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -13.933 -13.025 1.212 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -13.586 -14.121 -1.626 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -13.810 -15.083 -0.179 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -16.072 -14.843 -0.329 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -15.918 -13.099 -0.257 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -15.478 -13.024 -2.735 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -15.596 -14.771 -2.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -17.755 -13.724 -3.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -17.838 -14.637 -1.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -17.723 -12.944 -1.765 1.00 0.00 H new ATOM 779 N PRO A 49 -21.432 -11.807 -1.995 1.00 0.00 N ATOM 780 CA PRO A 49 -22.535 -11.555 -2.952 1.00 0.00 C ATOM 781 C PRO A 49 -23.656 -12.575 -2.755 1.00 0.00 C ATOM 782 O PRO A 49 -24.822 -12.270 -2.909 1.00 0.00 O ATOM 783 CB PRO A 49 -21.867 -11.734 -4.313 1.00 0.00 C ATOM 784 CG PRO A 49 -20.693 -12.628 -4.058 1.00 0.00 C ATOM 785 CD PRO A 49 -20.259 -12.396 -2.634 1.00 0.00 C ATOM 0 HA PRO A 49 -22.996 -10.574 -2.832 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -22.553 -12.180 -5.033 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -21.551 -10.776 -4.726 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -20.964 -13.672 -4.213 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -19.881 -12.404 -4.749 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -19.967 -13.328 -2.150 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -19.400 -11.727 -2.583 1.00 0.00 H new ATOM 793 N ILE A 50 -23.311 -13.782 -2.412 1.00 0.00 N ATOM 794 CA ILE A 50 -24.357 -14.824 -2.202 1.00 0.00 C ATOM 795 C ILE A 50 -25.100 -14.563 -0.892 1.00 0.00 C ATOM 796 O ILE A 50 -26.302 -14.719 -0.804 1.00 0.00 O ATOM 797 CB ILE A 50 -23.595 -16.147 -2.136 1.00 0.00 C ATOM 798 CG1 ILE A 50 -23.165 -16.556 -3.547 1.00 0.00 C ATOM 799 CG2 ILE A 50 -24.499 -17.230 -1.546 1.00 0.00 C ATOM 800 CD1 ILE A 50 -21.920 -17.440 -3.465 1.00 0.00 C ATOM 0 H ILE A 50 -22.351 -14.095 -2.267 1.00 0.00 H new ATOM 0 HA ILE A 50 -25.104 -14.828 -2.996 1.00 0.00 H new ATOM 0 HB ILE A 50 -22.714 -16.028 -1.505 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -23.973 -17.093 -4.044 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -22.956 -15.670 -4.146 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -23.954 -18.173 -1.500 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -24.807 -16.939 -0.542 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -25.381 -17.351 -2.176 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -21.614 -17.731 -4.470 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -21.112 -16.887 -2.985 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -22.145 -18.333 -2.881 1.00 0.00 H new ATOM 812 N GLU A 51 -24.394 -14.162 0.126 1.00 0.00 N ATOM 813 CA GLU A 51 -25.057 -13.884 1.431 1.00 0.00 C ATOM 814 C GLU A 51 -25.803 -12.550 1.359 1.00 0.00 C ATOM 815 O GLU A 51 -26.693 -12.281 2.142 1.00 0.00 O ATOM 816 CB GLU A 51 -23.919 -13.811 2.449 1.00 0.00 C ATOM 817 CG GLU A 51 -24.359 -14.476 3.755 1.00 0.00 C ATOM 818 CD GLU A 51 -23.247 -14.341 4.797 1.00 0.00 C ATOM 819 OE1 GLU A 51 -22.182 -14.889 4.571 1.00 0.00 O ATOM 820 OE2 GLU A 51 -23.481 -13.691 5.802 1.00 0.00 O ATOM 0 H GLU A 51 -23.385 -14.014 0.112 1.00 0.00 H new ATOM 0 HA GLU A 51 -25.788 -14.647 1.699 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -23.033 -14.309 2.056 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -23.646 -12.772 2.632 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -25.274 -14.011 4.122 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -24.584 -15.528 3.582 1.00 0.00 H new ATOM 827 N TYR A 52 -25.447 -11.713 0.423 1.00 0.00 N ATOM 828 CA TYR A 52 -26.135 -10.398 0.297 1.00 0.00 C ATOM 829 C TYR A 52 -27.417 -10.553 -0.525 1.00 0.00 C ATOM 830 O TYR A 52 -28.366 -9.814 -0.360 1.00 0.00 O ATOM 831 CB TYR A 52 -25.138 -9.494 -0.427 1.00 0.00 C ATOM 832 CG TYR A 52 -24.214 -8.854 0.580 1.00 0.00 C ATOM 833 CD1 TYR A 52 -23.662 -9.623 1.611 1.00 0.00 C ATOM 834 CD2 TYR A 52 -23.910 -7.491 0.484 1.00 0.00 C ATOM 835 CE1 TYR A 52 -22.804 -9.029 2.545 1.00 0.00 C ATOM 836 CE2 TYR A 52 -23.053 -6.897 1.417 1.00 0.00 C ATOM 837 CZ TYR A 52 -22.500 -7.666 2.449 1.00 0.00 C ATOM 838 OH TYR A 52 -21.655 -7.080 3.369 1.00 0.00 O ATOM 0 H TYR A 52 -24.709 -11.884 -0.260 1.00 0.00 H new ATOM 0 HA TYR A 52 -26.424 -9.988 1.265 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -24.562 -10.074 -1.148 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -25.669 -8.726 -0.989 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -23.898 -10.674 1.686 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -24.337 -6.897 -0.311 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -22.377 -9.623 3.340 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -22.818 -5.846 1.341 1.00 0.00 H new ATOM 0 HH TYR A 52 -21.549 -6.129 3.157 1.00 0.00 H new ATOM 848 N LEU A 53 -27.451 -11.513 -1.409 1.00 0.00 N ATOM 849 CA LEU A 53 -28.672 -11.718 -2.238 1.00 0.00 C ATOM 850 C LEU A 53 -29.788 -12.320 -1.385 1.00 0.00 C ATOM 851 O LEU A 53 -30.932 -11.917 -1.464 1.00 0.00 O ATOM 852 CB LEU A 53 -28.248 -12.691 -3.338 1.00 0.00 C ATOM 853 CG LEU A 53 -29.121 -12.476 -4.576 1.00 0.00 C ATOM 854 CD1 LEU A 53 -28.229 -12.310 -5.807 1.00 0.00 C ATOM 855 CD2 LEU A 53 -30.035 -13.688 -4.769 1.00 0.00 C ATOM 0 H LEU A 53 -26.687 -12.163 -1.593 1.00 0.00 H new ATOM 0 HA LEU A 53 -29.055 -10.785 -2.651 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -27.199 -12.537 -3.589 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -28.344 -13.718 -2.986 1.00 0.00 H new ATOM 0 HG LEU A 53 -29.727 -11.579 -4.443 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -28.851 -12.157 -6.689 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -27.576 -11.448 -5.669 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -27.624 -13.206 -5.941 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -30.658 -13.537 -5.651 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -29.428 -14.584 -4.902 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -30.671 -13.808 -3.892 1.00 0.00 H new ATOM 867 N LEU A 54 -29.460 -13.277 -0.567 1.00 0.00 N ATOM 868 CA LEU A 54 -30.499 -13.903 0.300 1.00 0.00 C ATOM 869 C LEU A 54 -30.928 -12.915 1.385 1.00 0.00 C ATOM 870 O LEU A 54 -32.038 -12.959 1.878 1.00 0.00 O ATOM 871 CB LEU A 54 -29.819 -15.125 0.920 1.00 0.00 C ATOM 872 CG LEU A 54 -29.996 -16.331 -0.003 1.00 0.00 C ATOM 873 CD1 LEU A 54 -31.484 -16.549 -0.278 1.00 0.00 C ATOM 874 CD2 LEU A 54 -29.267 -16.073 -1.323 1.00 0.00 C ATOM 0 H LEU A 54 -28.519 -13.655 -0.459 1.00 0.00 H new ATOM 0 HA LEU A 54 -31.395 -14.181 -0.255 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -28.759 -14.925 1.075 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -30.250 -15.336 1.899 1.00 0.00 H new ATOM 0 HG LEU A 54 -29.581 -17.218 0.475 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -31.610 -17.409 -0.936 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -32.005 -16.732 0.662 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -31.899 -15.662 -0.756 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -29.392 -16.932 -1.982 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -29.682 -15.186 -1.801 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -28.206 -15.917 -1.128 1.00 0.00 H new ATOM 886 N GLU A 55 -30.056 -12.017 1.755 1.00 0.00 N ATOM 887 CA GLU A 55 -30.413 -11.020 2.801 1.00 0.00 C ATOM 888 C GLU A 55 -31.376 -9.983 2.221 1.00 0.00 C ATOM 889 O GLU A 55 -32.172 -9.395 2.927 1.00 0.00 O ATOM 890 CB GLU A 55 -29.089 -10.364 3.194 1.00 0.00 C ATOM 891 CG GLU A 55 -29.091 -10.069 4.696 1.00 0.00 C ATOM 892 CD GLU A 55 -29.365 -11.360 5.469 1.00 0.00 C ATOM 893 OE1 GLU A 55 -29.294 -12.417 4.863 1.00 0.00 O ATOM 894 OE2 GLU A 55 -29.642 -11.271 6.655 1.00 0.00 O ATOM 0 H GLU A 55 -29.112 -11.932 1.378 1.00 0.00 H new ATOM 0 HA GLU A 55 -30.908 -11.475 3.659 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -28.257 -11.021 2.943 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -28.947 -9.441 2.632 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -28.131 -9.650 4.996 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -29.851 -9.324 4.930 1.00 0.00 H new ATOM 901 N GLN A 56 -31.314 -9.758 0.936 1.00 0.00 N ATOM 902 CA GLN A 56 -32.229 -8.763 0.309 1.00 0.00 C ATOM 903 C GLN A 56 -33.664 -9.296 0.312 1.00 0.00 C ATOM 904 O GLN A 56 -34.617 -8.542 0.314 1.00 0.00 O ATOM 905 CB GLN A 56 -31.718 -8.601 -1.124 1.00 0.00 C ATOM 906 CG GLN A 56 -32.789 -7.916 -1.975 1.00 0.00 C ATOM 907 CD GLN A 56 -32.356 -7.923 -3.442 1.00 0.00 C ATOM 908 OE1 GLN A 56 -33.167 -8.120 -4.326 1.00 0.00 O ATOM 909 NE2 GLN A 56 -31.103 -7.715 -3.742 1.00 0.00 N ATOM 0 H GLN A 56 -30.670 -10.220 0.294 1.00 0.00 H new ATOM 0 HA GLN A 56 -32.240 -7.814 0.845 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -30.802 -8.011 -1.130 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -31.472 -9.576 -1.546 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -33.742 -8.432 -1.864 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -32.940 -6.892 -1.634 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -30.422 -7.550 -3.001 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -30.805 -7.718 -4.717 1.00 0.00 H new ATOM 918 N ILE A 57 -33.824 -10.591 0.317 1.00 0.00 N ATOM 919 CA ILE A 57 -35.196 -11.172 0.325 1.00 0.00 C ATOM 920 C ILE A 57 -35.647 -11.417 1.772 1.00 0.00 C ATOM 921 O ILE A 57 -36.818 -11.356 2.088 1.00 0.00 O ATOM 922 CB ILE A 57 -35.069 -12.475 -0.485 1.00 0.00 C ATOM 923 CG1 ILE A 57 -36.098 -12.464 -1.618 1.00 0.00 C ATOM 924 CG2 ILE A 57 -35.313 -13.698 0.401 1.00 0.00 C ATOM 925 CD1 ILE A 57 -35.380 -12.591 -2.963 1.00 0.00 C ATOM 0 H ILE A 57 -33.064 -11.272 0.316 1.00 0.00 H new ATOM 0 HA ILE A 57 -35.950 -10.517 -0.112 1.00 0.00 H new ATOM 0 HB ILE A 57 -34.058 -12.535 -0.889 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -36.803 -13.286 -1.491 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -36.677 -11.541 -1.589 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -35.217 -14.605 -0.196 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -34.580 -13.715 1.207 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -36.316 -13.646 0.824 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -36.114 -12.583 -3.769 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -34.693 -11.754 -3.089 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -34.821 -13.526 -2.990 1.00 0.00 H new ATOM 937 N GLN A 58 -34.721 -11.689 2.651 1.00 0.00 N ATOM 938 CA GLN A 58 -35.092 -11.931 4.074 1.00 0.00 C ATOM 939 C GLN A 58 -35.358 -10.599 4.779 1.00 0.00 C ATOM 940 O GLN A 58 -36.088 -10.533 5.748 1.00 0.00 O ATOM 941 CB GLN A 58 -33.878 -12.631 4.687 1.00 0.00 C ATOM 942 CG GLN A 58 -34.341 -13.844 5.495 1.00 0.00 C ATOM 943 CD GLN A 58 -33.298 -14.958 5.389 1.00 0.00 C ATOM 944 OE1 GLN A 58 -32.931 -15.361 4.302 1.00 0.00 O ATOM 945 NE2 GLN A 58 -32.800 -15.475 6.478 1.00 0.00 N ATOM 0 H GLN A 58 -33.724 -11.754 2.445 1.00 0.00 H new ATOM 0 HA GLN A 58 -35.997 -12.530 4.171 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -33.191 -12.945 3.901 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -33.333 -11.940 5.329 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -34.485 -13.565 6.539 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -35.303 -14.196 5.123 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -33.108 -15.137 7.390 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -32.103 -16.217 6.418 1.00 0.00 H new ATOM 954 N ASN A 59 -34.772 -9.538 4.296 1.00 0.00 N ATOM 955 CA ASN A 59 -34.991 -8.208 4.933 1.00 0.00 C ATOM 956 C ASN A 59 -36.282 -7.580 4.406 1.00 0.00 C ATOM 957 O ASN A 59 -36.993 -6.903 5.121 1.00 0.00 O ATOM 958 CB ASN A 59 -33.781 -7.370 4.522 1.00 0.00 C ATOM 959 CG ASN A 59 -33.414 -6.411 5.657 1.00 0.00 C ATOM 960 OD1 ASN A 59 -32.671 -6.764 6.550 1.00 0.00 O ATOM 961 ND2 ASN A 59 -33.908 -5.202 5.659 1.00 0.00 N ATOM 0 H ASN A 59 -34.151 -9.534 3.487 1.00 0.00 H new ATOM 0 HA ASN A 59 -35.089 -8.278 6.016 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -32.936 -8.020 4.293 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -34.006 -6.808 3.615 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -33.670 -4.555 6.411 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -34.532 -4.905 4.909 1.00 0.00 H new ATOM 968 N LEU A 60 -36.588 -7.802 3.160 1.00 0.00 N ATOM 969 CA LEU A 60 -37.834 -7.222 2.582 1.00 0.00 C ATOM 970 C LEU A 60 -39.063 -7.807 3.282 1.00 0.00 C ATOM 971 O LEU A 60 -40.094 -7.173 3.384 1.00 0.00 O ATOM 972 CB LEU A 60 -37.813 -7.625 1.107 1.00 0.00 C ATOM 973 CG LEU A 60 -38.249 -6.438 0.246 1.00 0.00 C ATOM 974 CD1 LEU A 60 -37.027 -5.589 -0.110 1.00 0.00 C ATOM 975 CD2 LEU A 60 -38.903 -6.953 -1.038 1.00 0.00 C ATOM 0 H LEU A 60 -36.030 -8.361 2.515 1.00 0.00 H new ATOM 0 HA LEU A 60 -37.883 -6.140 2.707 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -36.811 -7.946 0.821 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -38.479 -8.472 0.941 1.00 0.00 H new ATOM 0 HG LEU A 60 -38.964 -5.830 0.801 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -37.338 -4.743 -0.723 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -36.560 -5.222 0.804 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -36.311 -6.196 -0.665 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -39.214 -6.108 -1.652 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -38.188 -7.561 -1.592 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -39.774 -7.558 -0.785 1.00 0.00 H new