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+ 180:sc= 0 (180deg=0) 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= -0.36 X(o=-0.36,f=-0.042) USER MOD Single : A 29 SER OG : rot 101:sc= 1.1 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 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.0463 X(o=-0.046,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 87:sc= 0.0894 USER MOD Single : A 44 LYS NZ :NH3+ 136:sc= -0.0203 (180deg=-1.61!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.012 X(o=-0.012,f=0) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 59 ASN : amide:sc= -0.126 X(o=-0.13,f=-0.0037) USER MOD ----------------------------------------------------------------- ATOM 236 N ASP A 15 22.376 9.506 2.433 1.00 0.00 N ATOM 237 CA ASP A 15 22.604 8.665 1.222 1.00 0.00 C ATOM 238 C ASP A 15 22.297 7.198 1.532 1.00 0.00 C ATOM 239 O ASP A 15 21.946 6.429 0.660 1.00 0.00 O ATOM 240 CB ASP A 15 24.086 8.844 0.889 1.00 0.00 C ATOM 241 CG ASP A 15 24.291 10.179 0.170 1.00 0.00 C ATOM 242 OD1 ASP A 15 23.987 10.246 -1.010 1.00 0.00 O ATOM 243 OD2 ASP A 15 24.748 11.110 0.810 1.00 0.00 O ATOM 0 HA ASP A 15 21.961 8.955 0.391 1.00 0.00 H new ATOM 0 HB2 ASP A 15 24.681 8.816 1.802 1.00 0.00 H new ATOM 0 HB3 ASP A 15 24.430 8.023 0.259 1.00 0.00 H new ATOM 248 N LYS A 16 22.422 6.806 2.770 1.00 0.00 N ATOM 249 CA LYS A 16 22.135 5.388 3.134 1.00 0.00 C ATOM 250 C LYS A 16 20.653 5.080 2.918 1.00 0.00 C ATOM 251 O LYS A 16 20.294 4.082 2.326 1.00 0.00 O ATOM 252 CB LYS A 16 22.498 5.277 4.616 1.00 0.00 C ATOM 253 CG LYS A 16 23.965 4.864 4.753 1.00 0.00 C ATOM 254 CD LYS A 16 24.047 3.372 5.081 1.00 0.00 C ATOM 255 CE LYS A 16 23.833 2.555 3.806 1.00 0.00 C ATOM 256 NZ LYS A 16 23.445 1.197 4.280 1.00 0.00 N ATOM 0 H LYS A 16 22.710 7.404 3.544 1.00 0.00 H new ATOM 0 HA LYS A 16 22.699 4.681 2.525 1.00 0.00 H new ATOM 0 HB2 LYS A 16 22.330 6.231 5.115 1.00 0.00 H new ATOM 0 HB3 LYS A 16 21.856 4.544 5.105 1.00 0.00 H new ATOM 0 HG2 LYS A 16 24.501 5.074 3.827 1.00 0.00 H new ATOM 0 HG3 LYS A 16 24.446 5.447 5.539 1.00 0.00 H new ATOM 0 HD2 LYS A 16 25.018 3.138 5.517 1.00 0.00 H new ATOM 0 HD3 LYS A 16 23.293 3.110 5.824 1.00 0.00 H new ATOM 0 HE2 LYS A 16 23.054 2.993 3.182 1.00 0.00 H new ATOM 0 HE3 LYS A 16 24.741 2.519 3.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 23.281 0.577 3.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 24.209 0.802 4.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 22.574 1.262 4.845 1.00 0.00 H new ATOM 270 N ALA A 17 19.792 5.934 3.391 1.00 0.00 N ATOM 271 CA ALA A 17 18.332 5.698 3.212 1.00 0.00 C ATOM 272 C ALA A 17 17.962 5.803 1.731 1.00 0.00 C ATOM 273 O ALA A 17 16.995 5.225 1.277 1.00 0.00 O ATOM 274 CB ALA A 17 17.649 6.802 4.016 1.00 0.00 C ATOM 0 H ALA A 17 20.035 6.787 3.895 1.00 0.00 H new ATOM 0 HA ALA A 17 18.028 4.706 3.547 1.00 0.00 H new ATOM 0 HB1 ALA A 17 16.567 6.696 3.934 1.00 0.00 H new ATOM 0 HB2 ALA A 17 17.943 6.724 5.063 1.00 0.00 H new ATOM 0 HB3 ALA A 17 17.949 7.775 3.626 1.00 0.00 H new ATOM 280 N LEU A 18 18.730 6.538 0.972 1.00 0.00 N ATOM 281 CA LEU A 18 18.428 6.680 -0.480 1.00 0.00 C ATOM 282 C LEU A 18 18.831 5.406 -1.225 1.00 0.00 C ATOM 283 O LEU A 18 18.234 5.039 -2.218 1.00 0.00 O ATOM 284 CB LEU A 18 19.274 7.865 -0.946 1.00 0.00 C ATOM 285 CG LEU A 18 18.465 8.718 -1.923 1.00 0.00 C ATOM 286 CD1 LEU A 18 18.943 10.169 -1.853 1.00 0.00 C ATOM 287 CD2 LEU A 18 18.660 8.187 -3.346 1.00 0.00 C ATOM 0 H LEU A 18 19.553 7.046 1.296 1.00 0.00 H new ATOM 0 HA LEU A 18 17.367 6.839 -0.670 1.00 0.00 H new ATOM 0 HB2 LEU A 18 19.580 8.466 -0.090 1.00 0.00 H new ATOM 0 HB3 LEU A 18 20.185 7.508 -1.427 1.00 0.00 H new ATOM 0 HG LEU A 18 17.409 8.670 -1.657 1.00 0.00 H new ATOM 0 HD11 LEU A 18 18.366 10.776 -2.550 1.00 0.00 H new ATOM 0 HD12 LEU A 18 18.806 10.549 -0.841 1.00 0.00 H new ATOM 0 HD13 LEU A 18 19.999 10.217 -2.118 1.00 0.00 H new ATOM 0 HD21 LEU A 18 18.083 8.795 -4.043 1.00 0.00 H new ATOM 0 HD22 LEU A 18 19.716 8.235 -3.611 1.00 0.00 H new ATOM 0 HD23 LEU A 18 18.319 7.153 -3.398 1.00 0.00 H new ATOM 299 N ALA A 19 19.837 4.727 -0.750 1.00 0.00 N ATOM 300 CA ALA A 19 20.278 3.474 -1.427 1.00 0.00 C ATOM 301 C ALA A 19 19.318 2.330 -1.090 1.00 0.00 C ATOM 302 O ALA A 19 19.315 1.299 -1.733 1.00 0.00 O ATOM 303 CB ALA A 19 21.670 3.188 -0.869 1.00 0.00 C ATOM 0 H ALA A 19 20.374 4.985 0.078 1.00 0.00 H new ATOM 0 HA ALA A 19 20.290 3.572 -2.512 1.00 0.00 H new ATOM 0 HB1 ALA A 19 22.063 2.277 -1.321 1.00 0.00 H new ATOM 0 HB2 ALA A 19 22.333 4.022 -1.099 1.00 0.00 H new ATOM 0 HB3 ALA A 19 21.609 3.060 0.212 1.00 0.00 H new ATOM 309 N VAL A 20 18.498 2.507 -0.090 1.00 0.00 N ATOM 310 CA VAL A 20 17.536 1.435 0.282 1.00 0.00 C ATOM 311 C VAL A 20 16.290 1.536 -0.607 1.00 0.00 C ATOM 312 O VAL A 20 15.636 0.553 -0.891 1.00 0.00 O ATOM 313 CB VAL A 20 17.215 1.710 1.762 1.00 0.00 C ATOM 314 CG1 VAL A 20 15.730 1.478 2.051 1.00 0.00 C ATOM 315 CG2 VAL A 20 18.051 0.773 2.638 1.00 0.00 C ATOM 0 H VAL A 20 18.454 3.349 0.485 1.00 0.00 H new ATOM 0 HA VAL A 20 17.927 0.427 0.144 1.00 0.00 H new ATOM 0 HB VAL A 20 17.453 2.750 1.983 1.00 0.00 H new ATOM 0 HG11 VAL A 20 15.528 1.679 3.103 1.00 0.00 H new ATOM 0 HG12 VAL A 20 15.130 2.146 1.433 1.00 0.00 H new ATOM 0 HG13 VAL A 20 15.472 0.444 1.823 1.00 0.00 H new ATOM 0 HG21 VAL A 20 17.829 0.962 3.688 1.00 0.00 H new ATOM 0 HG22 VAL A 20 17.810 -0.262 2.397 1.00 0.00 H new ATOM 0 HG23 VAL A 20 19.110 0.951 2.453 1.00 0.00 H new ATOM 325 N GLU A 21 15.964 2.719 -1.053 1.00 0.00 N ATOM 326 CA GLU A 21 14.768 2.880 -1.927 1.00 0.00 C ATOM 327 C GLU A 21 15.083 2.384 -3.340 1.00 0.00 C ATOM 328 O GLU A 21 14.198 2.101 -4.122 1.00 0.00 O ATOM 329 CB GLU A 21 14.481 4.383 -1.936 1.00 0.00 C ATOM 330 CG GLU A 21 12.970 4.614 -2.021 1.00 0.00 C ATOM 331 CD GLU A 21 12.699 6.052 -2.468 1.00 0.00 C ATOM 332 OE1 GLU A 21 13.648 6.730 -2.822 1.00 0.00 O ATOM 333 OE2 GLU A 21 11.545 6.448 -2.449 1.00 0.00 O ATOM 0 H GLU A 21 16.473 3.579 -0.850 1.00 0.00 H new ATOM 0 HA GLU A 21 13.912 2.307 -1.570 1.00 0.00 H new ATOM 0 HB2 GLU A 21 14.880 4.846 -1.033 1.00 0.00 H new ATOM 0 HB3 GLU A 21 14.980 4.854 -2.783 1.00 0.00 H new ATOM 0 HG2 GLU A 21 12.523 3.912 -2.725 1.00 0.00 H new ATOM 0 HG3 GLU A 21 12.508 4.430 -1.051 1.00 0.00 H new ATOM 340 N GLN A 22 16.341 2.271 -3.670 1.00 0.00 N ATOM 341 CA GLN A 22 16.713 1.786 -5.030 1.00 0.00 C ATOM 342 C GLN A 22 16.661 0.259 -5.065 1.00 0.00 C ATOM 343 O GLN A 22 16.187 -0.337 -6.012 1.00 0.00 O ATOM 344 CB GLN A 22 18.142 2.277 -5.256 1.00 0.00 C ATOM 345 CG GLN A 22 18.403 2.415 -6.758 1.00 0.00 C ATOM 346 CD GLN A 22 19.841 2.886 -6.986 1.00 0.00 C ATOM 347 OE1 GLN A 22 20.678 2.126 -7.431 1.00 0.00 O ATOM 348 NE2 GLN A 22 20.165 4.117 -6.697 1.00 0.00 N ATOM 0 H GLN A 22 17.126 2.493 -3.058 1.00 0.00 H new ATOM 0 HA GLN A 22 16.035 2.153 -5.801 1.00 0.00 H new ATOM 0 HB2 GLN A 22 18.291 3.236 -4.761 1.00 0.00 H new ATOM 0 HB3 GLN A 22 18.852 1.577 -4.815 1.00 0.00 H new ATOM 0 HG2 GLN A 22 18.239 1.459 -7.256 1.00 0.00 H new ATOM 0 HG3 GLN A 22 17.703 3.126 -7.196 1.00 0.00 H new ATOM 0 HE21 GLN A 22 19.462 4.755 -6.323 1.00 0.00 H new ATOM 0 HE22 GLN A 22 21.121 4.441 -6.845 1.00 0.00 H new ATOM 357 N PHE A 23 17.140 -0.373 -4.034 1.00 0.00 N ATOM 358 CA PHE A 23 17.119 -1.863 -3.995 1.00 0.00 C ATOM 359 C PHE A 23 15.694 -2.361 -3.744 1.00 0.00 C ATOM 360 O PHE A 23 15.359 -3.491 -4.037 1.00 0.00 O ATOM 361 CB PHE A 23 18.034 -2.243 -2.830 1.00 0.00 C ATOM 362 CG PHE A 23 19.392 -2.632 -3.362 1.00 0.00 C ATOM 363 CD1 PHE A 23 20.137 -1.716 -4.116 1.00 0.00 C ATOM 364 CD2 PHE A 23 19.908 -3.906 -3.101 1.00 0.00 C ATOM 365 CE1 PHE A 23 21.396 -2.076 -4.610 1.00 0.00 C ATOM 366 CE2 PHE A 23 21.168 -4.266 -3.595 1.00 0.00 C ATOM 367 CZ PHE A 23 21.912 -3.351 -4.349 1.00 0.00 C ATOM 0 H PHE A 23 17.547 0.077 -3.214 1.00 0.00 H new ATOM 0 HA PHE A 23 17.452 -2.307 -4.933 1.00 0.00 H new ATOM 0 HB2 PHE A 23 18.129 -1.405 -2.140 1.00 0.00 H new ATOM 0 HB3 PHE A 23 17.601 -3.071 -2.269 1.00 0.00 H new ATOM 0 HD1 PHE A 23 19.740 -0.732 -4.316 1.00 0.00 H new ATOM 0 HD2 PHE A 23 19.335 -4.612 -2.519 1.00 0.00 H new ATOM 0 HE1 PHE A 23 21.969 -1.370 -5.193 1.00 0.00 H new ATOM 0 HE2 PHE A 23 21.566 -5.250 -3.394 1.00 0.00 H new ATOM 0 HZ PHE A 23 22.884 -3.629 -4.729 1.00 0.00 H new ATOM 377 N ILE A 24 14.850 -1.523 -3.204 1.00 0.00 N ATOM 378 CA ILE A 24 13.446 -1.948 -2.936 1.00 0.00 C ATOM 379 C ILE A 24 12.578 -1.712 -4.175 1.00 0.00 C ATOM 380 O ILE A 24 11.622 -2.420 -4.419 1.00 0.00 O ATOM 381 CB ILE A 24 12.979 -1.065 -1.779 1.00 0.00 C ATOM 382 CG1 ILE A 24 13.625 -1.549 -0.478 1.00 0.00 C ATOM 383 CG2 ILE A 24 11.457 -1.151 -1.653 1.00 0.00 C ATOM 384 CD1 ILE A 24 13.001 -2.882 -0.062 1.00 0.00 C ATOM 0 H ILE A 24 15.072 -0.564 -2.937 1.00 0.00 H new ATOM 0 HA ILE A 24 13.374 -3.008 -2.694 1.00 0.00 H new ATOM 0 HB ILE A 24 13.270 -0.032 -1.969 1.00 0.00 H new ATOM 0 HG12 ILE A 24 14.700 -1.666 -0.615 1.00 0.00 H new ATOM 0 HG13 ILE A 24 13.483 -0.808 0.308 1.00 0.00 H new ATOM 0 HG21 ILE A 24 11.124 -0.521 -0.828 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.995 -0.809 -2.579 1.00 0.00 H new ATOM 0 HG23 ILE A 24 11.166 -2.184 -1.462 1.00 0.00 H new ATOM 0 HD11 ILE A 24 13.461 -3.226 0.864 1.00 0.00 H new ATOM 0 HD12 ILE A 24 11.930 -2.750 0.092 1.00 0.00 H new ATOM 0 HD13 ILE A 24 13.166 -3.621 -0.846 1.00 0.00 H new ATOM 396 N SER A 25 12.906 -0.722 -4.961 1.00 0.00 N ATOM 397 CA SER A 25 12.100 -0.443 -6.184 1.00 0.00 C ATOM 398 C SER A 25 12.252 -1.588 -7.189 1.00 0.00 C ATOM 399 O SER A 25 11.392 -1.822 -8.013 1.00 0.00 O ATOM 400 CB SER A 25 12.679 0.851 -6.753 1.00 0.00 C ATOM 401 OG SER A 25 11.760 1.407 -7.683 1.00 0.00 O ATOM 0 H SER A 25 13.696 -0.095 -4.809 1.00 0.00 H new ATOM 0 HA SER A 25 11.036 -0.351 -5.966 1.00 0.00 H new ATOM 0 HB2 SER A 25 12.874 1.560 -5.949 1.00 0.00 H new ATOM 0 HB3 SER A 25 13.633 0.652 -7.241 1.00 0.00 H new ATOM 0 HG SER A 25 12.128 2.238 -8.049 1.00 0.00 H new ATOM 407 N ARG A 26 13.342 -2.304 -7.124 1.00 0.00 N ATOM 408 CA ARG A 26 13.549 -3.434 -8.074 1.00 0.00 C ATOM 409 C ARG A 26 13.073 -4.746 -7.446 1.00 0.00 C ATOM 410 O ARG A 26 12.705 -5.678 -8.134 1.00 0.00 O ATOM 411 CB ARG A 26 15.057 -3.473 -8.322 1.00 0.00 C ATOM 412 CG ARG A 26 15.334 -3.322 -9.819 1.00 0.00 C ATOM 413 CD ARG A 26 14.833 -4.565 -10.559 1.00 0.00 C ATOM 414 NE ARG A 26 15.815 -5.633 -10.222 1.00 0.00 N ATOM 415 CZ ARG A 26 15.819 -6.751 -10.895 1.00 0.00 C ATOM 416 NH1 ARG A 26 14.717 -7.440 -11.023 1.00 0.00 N ATOM 417 NH2 ARG A 26 16.924 -7.181 -11.441 1.00 0.00 N ATOM 0 H ARG A 26 14.097 -2.155 -6.455 1.00 0.00 H new ATOM 0 HA ARG A 26 12.988 -3.304 -8.999 1.00 0.00 H new ATOM 0 HB2 ARG A 26 15.548 -2.673 -7.768 1.00 0.00 H new ATOM 0 HB3 ARG A 26 15.472 -4.413 -7.958 1.00 0.00 H new ATOM 0 HG2 ARG A 26 14.837 -2.432 -10.204 1.00 0.00 H new ATOM 0 HG3 ARG A 26 16.402 -3.190 -9.990 1.00 0.00 H new ATOM 0 HD2 ARG A 26 13.827 -4.837 -10.238 1.00 0.00 H new ATOM 0 HD3 ARG A 26 14.789 -4.394 -11.635 1.00 0.00 H new ATOM 0 HE ARG A 26 16.484 -5.491 -9.465 1.00 0.00 H new ATOM 0 HH11 ARG A 26 13.853 -7.104 -10.597 1.00 0.00 H new ATOM 0 HH12 ARG A 26 14.720 -8.314 -11.549 1.00 0.00 H new ATOM 0 HH21 ARG A 26 17.785 -6.643 -11.342 1.00 0.00 H new ATOM 0 HH22 ARG A 26 16.927 -8.055 -11.967 1.00 0.00 H new ATOM 431 N PHE A 27 13.078 -4.825 -6.144 1.00 0.00 N ATOM 432 CA PHE A 27 12.625 -6.077 -5.471 1.00 0.00 C ATOM 433 C PHE A 27 11.101 -6.081 -5.332 1.00 0.00 C ATOM 434 O PHE A 27 10.463 -7.112 -5.411 1.00 0.00 O ATOM 435 CB PHE A 27 13.290 -6.050 -4.095 1.00 0.00 C ATOM 436 CG PHE A 27 14.411 -7.040 -4.060 1.00 0.00 C ATOM 437 CD1 PHE A 27 15.692 -6.644 -4.429 1.00 0.00 C ATOM 438 CD2 PHE A 27 14.164 -8.348 -3.655 1.00 0.00 C ATOM 439 CE1 PHE A 27 16.746 -7.566 -4.397 1.00 0.00 C ATOM 440 CE2 PHE A 27 15.210 -9.277 -3.619 1.00 0.00 C ATOM 441 CZ PHE A 27 16.504 -8.886 -3.991 1.00 0.00 C ATOM 0 H PHE A 27 13.376 -4.078 -5.517 1.00 0.00 H new ATOM 0 HA PHE A 27 12.894 -6.970 -6.035 1.00 0.00 H new ATOM 0 HB2 PHE A 27 13.668 -5.050 -3.882 1.00 0.00 H new ATOM 0 HB3 PHE A 27 12.559 -6.286 -3.322 1.00 0.00 H new ATOM 0 HD1 PHE A 27 15.874 -5.626 -4.740 1.00 0.00 H new ATOM 0 HD2 PHE A 27 13.166 -8.646 -3.369 1.00 0.00 H new ATOM 0 HE1 PHE A 27 17.742 -7.261 -4.684 1.00 0.00 H new ATOM 0 HE2 PHE A 27 15.021 -10.293 -3.305 1.00 0.00 H new ATOM 0 HZ PHE A 27 17.313 -9.601 -3.965 1.00 0.00 H new ATOM 451 N ASN A 28 10.518 -4.933 -5.123 1.00 0.00 N ATOM 452 CA ASN A 28 9.034 -4.860 -4.974 1.00 0.00 C ATOM 453 C ASN A 28 8.342 -5.792 -5.975 1.00 0.00 C ATOM 454 O ASN A 28 7.359 -6.432 -5.662 1.00 0.00 O ATOM 455 CB ASN A 28 8.679 -3.402 -5.269 1.00 0.00 C ATOM 456 CG ASN A 28 7.372 -3.041 -4.561 1.00 0.00 C ATOM 457 OD1 ASN A 28 6.471 -2.494 -5.165 1.00 0.00 O ATOM 458 ND2 ASN A 28 7.229 -3.327 -3.295 1.00 0.00 N ATOM 0 H ASN A 28 11.005 -4.040 -5.049 1.00 0.00 H new ATOM 0 HA ASN A 28 8.708 -5.171 -3.981 1.00 0.00 H new ATOM 0 HB2 ASN A 28 9.481 -2.746 -4.931 1.00 0.00 H new ATOM 0 HB3 ASN A 28 8.576 -3.252 -6.344 1.00 0.00 H new ATOM 0 HD21 ASN A 28 6.361 -3.091 -2.814 1.00 0.00 H new ATOM 0 HD22 ASN A 28 7.985 -3.786 -2.787 1.00 0.00 H new ATOM 465 N SER A 29 8.846 -5.869 -7.175 1.00 0.00 N ATOM 466 CA SER A 29 8.218 -6.758 -8.195 1.00 0.00 C ATOM 467 C SER A 29 7.825 -8.097 -7.565 1.00 0.00 C ATOM 468 O SER A 29 6.915 -8.763 -8.017 1.00 0.00 O ATOM 469 CB SER A 29 9.295 -6.961 -9.260 1.00 0.00 C ATOM 470 OG SER A 29 10.171 -5.842 -9.260 1.00 0.00 O ATOM 0 H SER A 29 9.667 -5.355 -7.495 1.00 0.00 H new ATOM 0 HA SER A 29 7.308 -6.327 -8.612 1.00 0.00 H new ATOM 0 HB2 SER A 29 9.854 -7.875 -9.059 1.00 0.00 H new ATOM 0 HB3 SER A 29 8.835 -7.078 -10.241 1.00 0.00 H new ATOM 0 HG SER A 29 10.991 -6.068 -8.773 1.00 0.00 H new ATOM 476 N GLY A 30 8.505 -8.497 -6.525 1.00 0.00 N ATOM 477 CA GLY A 30 8.168 -9.794 -5.871 1.00 0.00 C ATOM 478 C GLY A 30 6.871 -9.647 -5.091 1.00 0.00 C ATOM 479 O GLY A 30 6.072 -10.560 -5.011 1.00 0.00 O ATOM 0 H GLY A 30 9.277 -7.983 -6.101 1.00 0.00 H new ATOM 0 HA2 GLY A 30 8.066 -10.577 -6.623 1.00 0.00 H new ATOM 0 HA3 GLY A 30 8.974 -10.097 -5.203 1.00 0.00 H new ATOM 483 N TYR A 31 6.649 -8.500 -4.525 1.00 0.00 N ATOM 484 CA TYR A 31 5.396 -8.278 -3.760 1.00 0.00 C ATOM 485 C TYR A 31 4.210 -8.172 -4.723 1.00 0.00 C ATOM 486 O TYR A 31 3.084 -7.968 -4.314 1.00 0.00 O ATOM 487 CB TYR A 31 5.616 -6.955 -3.027 1.00 0.00 C ATOM 488 CG TYR A 31 4.521 -6.756 -2.010 1.00 0.00 C ATOM 489 CD1 TYR A 31 4.290 -7.730 -1.035 1.00 0.00 C ATOM 490 CD2 TYR A 31 3.738 -5.597 -2.043 1.00 0.00 C ATOM 491 CE1 TYR A 31 3.274 -7.548 -0.089 1.00 0.00 C ATOM 492 CE2 TYR A 31 2.721 -5.413 -1.098 1.00 0.00 C ATOM 493 CZ TYR A 31 2.489 -6.389 -0.121 1.00 0.00 C ATOM 494 OH TYR A 31 1.488 -6.208 0.811 1.00 0.00 O ATOM 0 H TYR A 31 7.284 -7.702 -4.559 1.00 0.00 H new ATOM 0 HA TYR A 31 5.175 -9.093 -3.071 1.00 0.00 H new ATOM 0 HB2 TYR A 31 6.588 -6.957 -2.535 1.00 0.00 H new ATOM 0 HB3 TYR A 31 5.621 -6.129 -3.738 1.00 0.00 H new ATOM 0 HD1 TYR A 31 4.896 -8.624 -1.011 1.00 0.00 H new ATOM 0 HD2 TYR A 31 3.918 -4.845 -2.797 1.00 0.00 H new ATOM 0 HE1 TYR A 31 3.096 -8.301 0.665 1.00 0.00 H new ATOM 0 HE2 TYR A 31 2.116 -4.519 -1.123 1.00 0.00 H new ATOM 0 HH TYR A 31 1.040 -5.352 0.648 1.00 0.00 H new ATOM 504 N ILE A 32 4.452 -8.309 -6.002 1.00 0.00 N ATOM 505 CA ILE A 32 3.334 -8.216 -6.983 1.00 0.00 C ATOM 506 C ILE A 32 2.681 -9.588 -7.168 1.00 0.00 C ATOM 507 O ILE A 32 1.548 -9.696 -7.593 1.00 0.00 O ATOM 508 CB ILE A 32 3.988 -7.753 -8.285 1.00 0.00 C ATOM 509 CG1 ILE A 32 4.319 -6.263 -8.185 1.00 0.00 C ATOM 510 CG2 ILE A 32 3.024 -7.982 -9.450 1.00 0.00 C ATOM 511 CD1 ILE A 32 4.840 -5.763 -9.534 1.00 0.00 C ATOM 0 H ILE A 32 5.373 -8.481 -6.406 1.00 0.00 H new ATOM 0 HA ILE A 32 2.551 -7.532 -6.655 1.00 0.00 H new ATOM 0 HB ILE A 32 4.903 -8.320 -8.454 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.431 -5.701 -7.896 1.00 0.00 H new ATOM 0 HG13 ILE A 32 5.068 -6.097 -7.410 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.490 -7.652 -10.378 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.785 -9.043 -9.521 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.109 -7.414 -9.282 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.076 -4.701 -9.462 1.00 0.00 H new ATOM 0 HD12 ILE A 32 5.739 -6.317 -9.805 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.077 -5.914 -10.298 1.00 0.00 H new ATOM 523 N LYS A 33 3.388 -10.638 -6.851 1.00 0.00 N ATOM 524 CA LYS A 33 2.809 -12.002 -7.007 1.00 0.00 C ATOM 525 C LYS A 33 1.855 -12.307 -5.850 1.00 0.00 C ATOM 526 O LYS A 33 0.932 -13.087 -5.982 1.00 0.00 O ATOM 527 CB LYS A 33 4.010 -12.948 -6.974 1.00 0.00 C ATOM 528 CG LYS A 33 4.609 -13.061 -8.378 1.00 0.00 C ATOM 529 CD LYS A 33 5.021 -14.511 -8.642 1.00 0.00 C ATOM 530 CE LYS A 33 4.578 -14.919 -10.049 1.00 0.00 C ATOM 531 NZ LYS A 33 4.955 -16.355 -10.169 1.00 0.00 N ATOM 0 H LYS A 33 4.342 -10.610 -6.491 1.00 0.00 H new ATOM 0 HA LYS A 33 2.234 -12.104 -7.928 1.00 0.00 H new ATOM 0 HB2 LYS A 33 4.760 -12.576 -6.276 1.00 0.00 H new ATOM 0 HB3 LYS A 33 3.702 -13.931 -6.618 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.882 -12.737 -9.122 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.474 -12.404 -8.470 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.101 -14.617 -8.544 1.00 0.00 H new ATOM 0 HD3 LYS A 33 4.568 -15.170 -7.901 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.505 -14.780 -10.181 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.074 -14.316 -10.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.683 -16.708 -11.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.983 -16.456 -10.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.463 -16.905 -9.437 1.00 0.00 H new ATOM 545 N ALA A 34 2.067 -11.698 -4.715 1.00 0.00 N ATOM 546 CA ALA A 34 1.169 -11.955 -3.552 1.00 0.00 C ATOM 547 C ALA A 34 0.114 -10.853 -3.445 1.00 0.00 C ATOM 548 O ALA A 34 -1.024 -11.101 -3.098 1.00 0.00 O ATOM 549 CB ALA A 34 2.088 -11.942 -2.330 1.00 0.00 C ATOM 0 H ALA A 34 2.822 -11.034 -4.542 1.00 0.00 H new ATOM 0 HA ALA A 34 0.632 -12.899 -3.646 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.500 -12.125 -1.431 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.843 -12.721 -2.434 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.577 -10.971 -2.253 1.00 0.00 H new ATOM 555 N SER A 35 0.481 -9.638 -3.743 1.00 0.00 N ATOM 556 CA SER A 35 -0.504 -8.522 -3.661 1.00 0.00 C ATOM 557 C SER A 35 -1.657 -8.774 -4.632 1.00 0.00 C ATOM 558 O SER A 35 -2.737 -8.237 -4.486 1.00 0.00 O ATOM 559 CB SER A 35 0.276 -7.271 -4.060 1.00 0.00 C ATOM 560 OG SER A 35 -0.524 -6.121 -3.815 1.00 0.00 O ATOM 0 H SER A 35 1.419 -9.369 -4.040 1.00 0.00 H new ATOM 0 HA SER A 35 -0.940 -8.423 -2.667 1.00 0.00 H new ATOM 0 HB2 SER A 35 1.204 -7.210 -3.492 1.00 0.00 H new ATOM 0 HB3 SER A 35 0.550 -7.320 -5.114 1.00 0.00 H new ATOM 0 HG SER A 35 -0.026 -5.316 -4.069 1.00 0.00 H new ATOM 566 N GLN A 36 -1.439 -9.597 -5.620 1.00 0.00 N ATOM 567 CA GLN A 36 -2.527 -9.898 -6.594 1.00 0.00 C ATOM 568 C GLN A 36 -3.398 -11.023 -6.044 1.00 0.00 C ATOM 569 O GLN A 36 -4.591 -11.075 -6.272 1.00 0.00 O ATOM 570 CB GLN A 36 -1.817 -10.347 -7.873 1.00 0.00 C ATOM 571 CG GLN A 36 -2.648 -9.934 -9.090 1.00 0.00 C ATOM 572 CD GLN A 36 -2.328 -10.859 -10.264 1.00 0.00 C ATOM 573 OE1 GLN A 36 -1.795 -10.426 -11.267 1.00 0.00 O ATOM 574 NE2 GLN A 36 -2.633 -12.126 -10.184 1.00 0.00 N ATOM 0 H GLN A 36 -0.555 -10.074 -5.796 1.00 0.00 H new ATOM 0 HA GLN A 36 -3.172 -9.039 -6.778 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -0.825 -9.899 -7.928 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.678 -11.428 -7.864 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -3.711 -9.985 -8.852 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -2.431 -8.900 -9.358 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -3.080 -12.491 -9.343 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -2.424 -12.751 -10.962 1.00 0.00 H new ATOM 583 N GLU A 37 -2.804 -11.921 -5.313 1.00 0.00 N ATOM 584 CA GLU A 37 -3.584 -13.051 -4.731 1.00 0.00 C ATOM 585 C GLU A 37 -4.429 -12.552 -3.557 1.00 0.00 C ATOM 586 O GLU A 37 -5.462 -13.109 -3.241 1.00 0.00 O ATOM 587 CB GLU A 37 -2.535 -14.055 -4.247 1.00 0.00 C ATOM 588 CG GLU A 37 -3.184 -15.430 -4.080 1.00 0.00 C ATOM 589 CD GLU A 37 -3.062 -15.877 -2.622 1.00 0.00 C ATOM 590 OE1 GLU A 37 -3.136 -15.025 -1.752 1.00 0.00 O ATOM 591 OE2 GLU A 37 -2.898 -17.066 -2.400 1.00 0.00 O ATOM 0 H GLU A 37 -1.808 -11.923 -5.091 1.00 0.00 H new ATOM 0 HA GLU A 37 -4.268 -13.497 -5.453 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.714 -14.113 -4.962 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.110 -13.724 -3.300 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -4.233 -15.387 -4.372 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.701 -16.154 -4.735 1.00 0.00 H new ATOM 598 N LEU A 38 -4.001 -11.502 -2.909 1.00 0.00 N ATOM 599 CA LEU A 38 -4.786 -10.969 -1.759 1.00 0.00 C ATOM 600 C LEU A 38 -5.966 -10.142 -2.269 1.00 0.00 C ATOM 601 O LEU A 38 -7.028 -10.125 -1.677 1.00 0.00 O ATOM 602 CB LEU A 38 -3.806 -10.087 -0.982 1.00 0.00 C ATOM 603 CG LEU A 38 -3.353 -10.819 0.282 1.00 0.00 C ATOM 604 CD1 LEU A 38 -2.083 -10.161 0.826 1.00 0.00 C ATOM 605 CD2 LEU A 38 -4.457 -10.745 1.339 1.00 0.00 C ATOM 0 H LEU A 38 -3.145 -10.992 -3.125 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.198 -11.762 -1.135 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.944 -9.847 -1.605 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.281 -9.142 -0.717 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.148 -11.862 0.042 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.760 -10.683 1.727 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.295 -10.214 0.074 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.288 -9.117 1.065 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.134 -11.267 2.240 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.662 -9.702 1.578 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.362 -11.214 0.953 1.00 0.00 H new ATOM 617 N VAL A 39 -5.792 -9.461 -3.365 1.00 0.00 N ATOM 618 CA VAL A 39 -6.905 -8.641 -3.918 1.00 0.00 C ATOM 619 C VAL A 39 -7.924 -9.546 -4.612 1.00 0.00 C ATOM 620 O VAL A 39 -9.072 -9.190 -4.782 1.00 0.00 O ATOM 621 CB VAL A 39 -6.244 -7.700 -4.925 1.00 0.00 C ATOM 622 CG1 VAL A 39 -7.314 -7.088 -5.832 1.00 0.00 C ATOM 623 CG2 VAL A 39 -5.512 -6.585 -4.175 1.00 0.00 C ATOM 0 H VAL A 39 -4.926 -9.436 -3.903 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.441 -8.091 -3.144 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.532 -8.259 -5.532 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.842 -6.417 -6.550 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.836 -7.882 -6.366 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -8.027 -6.528 -5.227 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.040 -5.913 -4.892 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -6.224 -6.026 -3.568 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -4.749 -7.021 -3.530 1.00 0.00 H new ATOM 633 N SER A 40 -7.511 -10.719 -5.013 1.00 0.00 N ATOM 634 CA SER A 40 -8.455 -11.649 -5.692 1.00 0.00 C ATOM 635 C SER A 40 -9.306 -12.384 -4.653 1.00 0.00 C ATOM 636 O SER A 40 -10.392 -12.845 -4.941 1.00 0.00 O ATOM 637 CB SER A 40 -7.565 -12.633 -6.450 1.00 0.00 C ATOM 638 OG SER A 40 -8.202 -13.001 -7.666 1.00 0.00 O ATOM 0 H SER A 40 -6.561 -11.072 -4.899 1.00 0.00 H new ATOM 0 HA SER A 40 -9.144 -11.128 -6.358 1.00 0.00 H new ATOM 0 HB2 SER A 40 -6.596 -12.180 -6.657 1.00 0.00 H new ATOM 0 HB3 SER A 40 -7.380 -13.518 -5.841 1.00 0.00 H new ATOM 0 HG SER A 40 -7.633 -13.631 -8.156 1.00 0.00 H new ATOM 644 N TYR A 41 -8.819 -12.497 -3.448 1.00 0.00 N ATOM 645 CA TYR A 41 -9.601 -13.203 -2.392 1.00 0.00 C ATOM 646 C TYR A 41 -10.654 -12.263 -1.798 1.00 0.00 C ATOM 647 O TYR A 41 -11.665 -12.696 -1.282 1.00 0.00 O ATOM 648 CB TYR A 41 -8.571 -13.594 -1.332 1.00 0.00 C ATOM 649 CG TYR A 41 -8.590 -15.092 -1.140 1.00 0.00 C ATOM 650 CD1 TYR A 41 -9.795 -15.745 -0.852 1.00 0.00 C ATOM 651 CD2 TYR A 41 -7.404 -15.827 -1.250 1.00 0.00 C ATOM 652 CE1 TYR A 41 -9.812 -17.134 -0.675 1.00 0.00 C ATOM 653 CE2 TYR A 41 -7.421 -17.216 -1.073 1.00 0.00 C ATOM 654 CZ TYR A 41 -8.625 -17.869 -0.785 1.00 0.00 C ATOM 655 OH TYR A 41 -8.643 -19.238 -0.611 1.00 0.00 O ATOM 0 H TYR A 41 -7.915 -12.132 -3.148 1.00 0.00 H new ATOM 0 HA TYR A 41 -10.134 -14.071 -2.782 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -7.577 -13.268 -1.638 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -8.795 -13.093 -0.390 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -10.710 -15.178 -0.767 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -6.475 -15.323 -1.472 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -10.741 -17.639 -0.454 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -6.506 -17.783 -1.159 1.00 0.00 H new ATOM 0 HH TYR A 41 -7.737 -19.594 -0.722 1.00 0.00 H new ATOM 665 N THR A 42 -10.424 -10.980 -1.863 1.00 0.00 N ATOM 666 CA THR A 42 -11.412 -10.015 -1.300 1.00 0.00 C ATOM 667 C THR A 42 -12.208 -9.349 -2.427 1.00 0.00 C ATOM 668 O THR A 42 -13.039 -8.495 -2.190 1.00 0.00 O ATOM 669 CB THR A 42 -10.571 -8.979 -0.555 1.00 0.00 C ATOM 670 OG1 THR A 42 -9.578 -9.643 0.213 1.00 0.00 O ATOM 671 CG2 THR A 42 -11.470 -8.157 0.368 1.00 0.00 C ATOM 0 H THR A 42 -9.595 -10.558 -2.281 1.00 0.00 H new ATOM 0 HA THR A 42 -12.136 -10.501 -0.646 1.00 0.00 H new ATOM 0 HB THR A 42 -10.091 -8.315 -1.274 1.00 0.00 H new ATOM 0 HG1 THR A 42 -8.787 -9.804 -0.343 1.00 0.00 H new ATOM 0 HG21 THR A 42 -10.869 -7.419 0.899 1.00 0.00 H new ATOM 0 HG22 THR A 42 -12.231 -7.648 -0.224 1.00 0.00 H new ATOM 0 HG23 THR A 42 -11.953 -8.817 1.089 1.00 0.00 H new ATOM 679 N ILE A 43 -11.959 -9.730 -3.650 1.00 0.00 N ATOM 680 CA ILE A 43 -12.701 -9.115 -4.787 1.00 0.00 C ATOM 681 C ILE A 43 -14.139 -9.637 -4.826 1.00 0.00 C ATOM 682 O ILE A 43 -15.081 -8.890 -5.007 1.00 0.00 O ATOM 683 CB ILE A 43 -11.925 -9.540 -6.040 1.00 0.00 C ATOM 684 CG1 ILE A 43 -12.237 -8.570 -7.183 1.00 0.00 C ATOM 685 CG2 ILE A 43 -12.321 -10.960 -6.456 1.00 0.00 C ATOM 686 CD1 ILE A 43 -10.937 -7.941 -7.687 1.00 0.00 C ATOM 0 H ILE A 43 -11.275 -10.440 -3.911 1.00 0.00 H new ATOM 0 HA ILE A 43 -12.768 -8.030 -4.703 1.00 0.00 H new ATOM 0 HB ILE A 43 -10.858 -9.522 -5.818 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -12.737 -9.097 -7.995 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -12.920 -7.793 -6.839 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -11.762 -11.247 -7.347 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -12.094 -11.653 -5.646 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -13.389 -10.991 -6.672 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -11.159 -7.250 -8.501 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -10.455 -7.400 -6.873 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -10.270 -8.724 -8.047 1.00 0.00 H new ATOM 698 N LYS A 44 -14.308 -10.916 -4.660 1.00 0.00 N ATOM 699 CA LYS A 44 -15.681 -11.500 -4.688 1.00 0.00 C ATOM 700 C LYS A 44 -16.120 -11.890 -3.278 1.00 0.00 C ATOM 701 O LYS A 44 -16.977 -12.729 -3.090 1.00 0.00 O ATOM 702 CB LYS A 44 -15.561 -12.739 -5.571 1.00 0.00 C ATOM 703 CG LYS A 44 -16.519 -12.619 -6.757 1.00 0.00 C ATOM 704 CD LYS A 44 -15.875 -11.763 -7.849 1.00 0.00 C ATOM 705 CE LYS A 44 -16.522 -10.376 -7.861 1.00 0.00 C ATOM 706 NZ LYS A 44 -15.380 -9.419 -7.837 1.00 0.00 N ATOM 0 H LYS A 44 -13.555 -11.587 -4.506 1.00 0.00 H new ATOM 0 HA LYS A 44 -16.422 -10.796 -5.067 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -14.537 -12.846 -5.928 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -15.792 -13.634 -4.993 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -16.756 -13.608 -7.148 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -17.459 -12.170 -6.435 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -14.803 -11.674 -7.671 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -15.998 -12.242 -8.821 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -17.137 -10.235 -8.750 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -17.173 -10.236 -6.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -15.553 -8.655 -8.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -15.286 -9.015 -6.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -14.503 -9.918 -8.090 1.00 0.00 H new ATOM 779 N PRO A 49 -20.486 -7.208 -6.684 1.00 0.00 N ATOM 780 CA PRO A 49 -21.094 -6.393 -7.761 1.00 0.00 C ATOM 781 C PRO A 49 -21.727 -7.300 -8.816 1.00 0.00 C ATOM 782 O PRO A 49 -22.753 -6.985 -9.388 1.00 0.00 O ATOM 783 CB PRO A 49 -19.906 -5.628 -8.338 1.00 0.00 C ATOM 784 CG PRO A 49 -18.707 -6.464 -8.010 1.00 0.00 C ATOM 785 CD PRO A 49 -19.029 -7.226 -6.750 1.00 0.00 C ATOM 0 HA PRO A 49 -21.889 -5.734 -7.411 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -20.010 -5.493 -9.415 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -19.826 -4.634 -7.898 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -18.480 -7.149 -8.827 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -17.827 -5.836 -7.866 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -18.645 -8.245 -6.792 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -18.585 -6.753 -5.874 1.00 0.00 H new ATOM 793 N ILE A 50 -21.126 -8.426 -9.074 1.00 0.00 N ATOM 794 CA ILE A 50 -21.693 -9.359 -10.088 1.00 0.00 C ATOM 795 C ILE A 50 -23.025 -9.922 -9.590 1.00 0.00 C ATOM 796 O ILE A 50 -23.952 -10.119 -10.349 1.00 0.00 O ATOM 797 CB ILE A 50 -20.654 -10.471 -10.234 1.00 0.00 C ATOM 798 CG1 ILE A 50 -19.490 -9.971 -11.093 1.00 0.00 C ATOM 799 CG2 ILE A 50 -21.293 -11.689 -10.906 1.00 0.00 C ATOM 800 CD1 ILE A 50 -18.662 -8.964 -10.294 1.00 0.00 C ATOM 0 H ILE A 50 -20.266 -8.742 -8.627 1.00 0.00 H new ATOM 0 HA ILE A 50 -21.891 -8.868 -11.041 1.00 0.00 H new ATOM 0 HB ILE A 50 -20.287 -10.753 -9.247 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -18.865 -10.809 -11.401 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -19.869 -9.506 -12.003 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -20.550 -12.480 -11.009 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -22.122 -12.047 -10.296 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -21.662 -11.408 -11.892 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -17.833 -8.608 -10.906 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -19.291 -8.121 -10.009 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -18.271 -9.445 -9.397 1.00 0.00 H new ATOM 812 N GLU A 51 -23.125 -10.174 -8.315 1.00 0.00 N ATOM 813 CA GLU A 51 -24.398 -10.716 -7.763 1.00 0.00 C ATOM 814 C GLU A 51 -25.399 -9.579 -7.559 1.00 0.00 C ATOM 815 O GLU A 51 -26.596 -9.786 -7.532 1.00 0.00 O ATOM 816 CB GLU A 51 -24.015 -11.345 -6.423 1.00 0.00 C ATOM 817 CG GLU A 51 -24.093 -12.869 -6.532 1.00 0.00 C ATOM 818 CD GLU A 51 -25.539 -13.323 -6.333 1.00 0.00 C ATOM 819 OE1 GLU A 51 -25.979 -13.354 -5.195 1.00 0.00 O ATOM 820 OE2 GLU A 51 -26.183 -13.632 -7.322 1.00 0.00 O ATOM 0 H GLU A 51 -22.382 -10.028 -7.632 1.00 0.00 H new ATOM 0 HA GLU A 51 -24.867 -11.441 -8.429 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -23.007 -11.041 -6.142 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -24.685 -10.991 -5.639 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -23.730 -13.193 -7.507 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -23.450 -13.331 -5.783 1.00 0.00 H new ATOM 827 N TYR A 52 -24.916 -8.374 -7.416 1.00 0.00 N ATOM 828 CA TYR A 52 -25.838 -7.220 -7.216 1.00 0.00 C ATOM 829 C TYR A 52 -26.241 -6.624 -8.568 1.00 0.00 C ATOM 830 O TYR A 52 -27.266 -5.984 -8.693 1.00 0.00 O ATOM 831 CB TYR A 52 -25.034 -6.206 -6.401 1.00 0.00 C ATOM 832 CG TYR A 52 -25.626 -6.092 -5.017 1.00 0.00 C ATOM 833 CD1 TYR A 52 -25.417 -7.111 -4.080 1.00 0.00 C ATOM 834 CD2 TYR A 52 -26.382 -4.966 -4.669 1.00 0.00 C ATOM 835 CE1 TYR A 52 -25.966 -7.005 -2.797 1.00 0.00 C ATOM 836 CE2 TYR A 52 -26.930 -4.859 -3.386 1.00 0.00 C ATOM 837 CZ TYR A 52 -26.722 -5.879 -2.449 1.00 0.00 C ATOM 838 OH TYR A 52 -27.262 -5.774 -1.183 1.00 0.00 O ATOM 0 H TYR A 52 -23.923 -8.139 -7.429 1.00 0.00 H new ATOM 0 HA TYR A 52 -26.759 -7.511 -6.710 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -23.992 -6.518 -6.338 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -25.046 -5.234 -6.895 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -24.832 -7.979 -4.347 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -26.542 -4.179 -5.391 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -25.806 -7.792 -2.075 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -27.513 -3.990 -3.118 1.00 0.00 H new ATOM 0 HH TYR A 52 -27.756 -4.931 -1.107 1.00 0.00 H new ATOM 848 N LEU A 53 -25.445 -6.830 -9.583 1.00 0.00 N ATOM 849 CA LEU A 53 -25.791 -6.272 -10.922 1.00 0.00 C ATOM 850 C LEU A 53 -27.025 -6.978 -11.483 1.00 0.00 C ATOM 851 O LEU A 53 -27.928 -6.356 -12.006 1.00 0.00 O ATOM 852 CB LEU A 53 -24.569 -6.551 -11.797 1.00 0.00 C ATOM 853 CG LEU A 53 -24.528 -5.547 -12.950 1.00 0.00 C ATOM 854 CD1 LEU A 53 -23.105 -5.008 -13.107 1.00 0.00 C ATOM 855 CD2 LEU A 53 -24.954 -6.242 -14.246 1.00 0.00 C ATOM 0 H LEU A 53 -24.573 -7.358 -9.543 1.00 0.00 H new ATOM 0 HA LEU A 53 -26.025 -5.208 -10.879 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -23.658 -6.476 -11.203 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -24.612 -7.568 -12.187 1.00 0.00 H new ATOM 0 HG LEU A 53 -25.208 -4.722 -12.738 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -23.076 -4.292 -13.929 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -22.799 -4.514 -12.185 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -22.425 -5.833 -13.320 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -24.925 -5.527 -15.069 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -24.273 -7.066 -14.458 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -25.968 -6.628 -14.136 1.00 0.00 H new ATOM 867 N LEU A 54 -27.067 -8.275 -11.377 1.00 0.00 N ATOM 868 CA LEU A 54 -28.243 -9.028 -11.902 1.00 0.00 C ATOM 869 C LEU A 54 -29.526 -8.527 -11.237 1.00 0.00 C ATOM 870 O LEU A 54 -30.575 -8.473 -11.848 1.00 0.00 O ATOM 871 CB LEU A 54 -27.979 -10.488 -11.534 1.00 0.00 C ATOM 872 CG LEU A 54 -27.982 -11.344 -12.802 1.00 0.00 C ATOM 873 CD1 LEU A 54 -26.807 -12.323 -12.760 1.00 0.00 C ATOM 874 CD2 LEU A 54 -29.294 -12.127 -12.884 1.00 0.00 C ATOM 0 H LEU A 54 -26.339 -8.848 -10.950 1.00 0.00 H new ATOM 0 HA LEU A 54 -28.371 -8.900 -12.977 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -27.020 -10.578 -11.025 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -28.742 -10.843 -10.841 1.00 0.00 H new ATOM 0 HG LEU A 54 -27.887 -10.699 -13.676 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -26.809 -12.933 -13.663 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -25.872 -11.766 -12.700 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -26.902 -12.968 -11.887 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -29.298 -12.737 -13.787 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -29.388 -12.771 -12.010 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -30.132 -11.431 -12.913 1.00 0.00 H new ATOM 886 N GLU A 55 -29.448 -8.157 -9.990 1.00 0.00 N ATOM 887 CA GLU A 55 -30.661 -7.654 -9.285 1.00 0.00 C ATOM 888 C GLU A 55 -30.966 -6.222 -9.732 1.00 0.00 C ATOM 889 O GLU A 55 -32.094 -5.773 -9.683 1.00 0.00 O ATOM 890 CB GLU A 55 -30.300 -7.689 -7.799 1.00 0.00 C ATOM 891 CG GLU A 55 -31.522 -8.127 -6.988 1.00 0.00 C ATOM 892 CD GLU A 55 -31.075 -9.045 -5.849 1.00 0.00 C ATOM 893 OE1 GLU A 55 -30.011 -8.805 -5.303 1.00 0.00 O ATOM 894 OE2 GLU A 55 -31.806 -9.972 -5.541 1.00 0.00 O ATOM 0 H GLU A 55 -28.597 -8.181 -9.428 1.00 0.00 H new ATOM 0 HA GLU A 55 -31.546 -8.253 -9.500 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -29.472 -8.378 -7.631 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -29.966 -6.704 -7.471 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -32.037 -7.254 -6.586 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -32.232 -8.647 -7.631 1.00 0.00 H new ATOM 901 N GLN A 56 -29.968 -5.506 -10.169 1.00 0.00 N ATOM 902 CA GLN A 56 -30.197 -4.105 -10.625 1.00 0.00 C ATOM 903 C GLN A 56 -30.755 -4.100 -12.049 1.00 0.00 C ATOM 904 O GLN A 56 -31.367 -3.145 -12.484 1.00 0.00 O ATOM 905 CB GLN A 56 -28.819 -3.445 -10.584 1.00 0.00 C ATOM 906 CG GLN A 56 -28.974 -1.930 -10.730 1.00 0.00 C ATOM 907 CD GLN A 56 -27.674 -1.240 -10.309 1.00 0.00 C ATOM 908 OE1 GLN A 56 -26.991 -0.657 -11.126 1.00 0.00 O ATOM 909 NE2 GLN A 56 -27.303 -1.283 -9.059 1.00 0.00 N ATOM 0 H GLN A 56 -29.003 -5.830 -10.230 1.00 0.00 H new ATOM 0 HA GLN A 56 -30.918 -3.578 -10.000 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -28.319 -3.681 -9.645 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -28.193 -3.836 -11.386 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -29.215 -1.676 -11.762 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -29.801 -1.577 -10.114 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -27.877 -1.773 -8.373 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -26.439 -0.827 -8.768 1.00 0.00 H new ATOM 918 N ILE A 57 -30.550 -5.162 -12.780 1.00 0.00 N ATOM 919 CA ILE A 57 -31.071 -5.219 -14.175 1.00 0.00 C ATOM 920 C ILE A 57 -32.541 -5.661 -14.165 1.00 0.00 C ATOM 921 O ILE A 57 -33.319 -5.288 -15.020 1.00 0.00 O ATOM 922 CB ILE A 57 -30.153 -6.229 -14.889 1.00 0.00 C ATOM 923 CG1 ILE A 57 -29.586 -5.585 -16.155 1.00 0.00 C ATOM 924 CG2 ILE A 57 -30.924 -7.493 -15.273 1.00 0.00 C ATOM 925 CD1 ILE A 57 -28.188 -5.033 -15.866 1.00 0.00 C ATOM 0 H ILE A 57 -30.044 -5.992 -12.471 1.00 0.00 H new ATOM 0 HA ILE A 57 -31.058 -4.256 -14.685 1.00 0.00 H new ATOM 0 HB ILE A 57 -29.347 -6.506 -14.209 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -29.539 -6.319 -16.959 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -30.242 -4.783 -16.493 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -30.253 -8.190 -15.776 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -31.326 -7.961 -14.374 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -31.743 -7.230 -15.943 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -27.784 -4.574 -16.769 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -28.248 -4.286 -15.075 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -27.534 -5.846 -15.549 1.00 0.00 H new ATOM 937 N GLN A 58 -32.924 -6.450 -13.199 1.00 0.00 N ATOM 938 CA GLN A 58 -34.340 -6.912 -13.131 1.00 0.00 C ATOM 939 C GLN A 58 -35.226 -5.804 -12.558 1.00 0.00 C ATOM 940 O GLN A 58 -36.412 -5.748 -12.816 1.00 0.00 O ATOM 941 CB GLN A 58 -34.318 -8.121 -12.193 1.00 0.00 C ATOM 942 CG GLN A 58 -35.113 -9.268 -12.820 1.00 0.00 C ATOM 943 CD GLN A 58 -34.173 -10.149 -13.646 1.00 0.00 C ATOM 944 OE1 GLN A 58 -33.765 -9.775 -14.726 1.00 0.00 O ATOM 945 NE2 GLN A 58 -33.812 -11.313 -13.179 1.00 0.00 N ATOM 0 H GLN A 58 -32.318 -6.795 -12.454 1.00 0.00 H new ATOM 0 HA GLN A 58 -34.741 -7.166 -14.112 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -33.290 -8.434 -12.010 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -34.746 -7.853 -11.227 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -35.593 -9.860 -12.041 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -35.907 -8.871 -13.453 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -34.155 -11.627 -12.271 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -33.187 -11.909 -13.722 1.00 0.00 H new ATOM 954 N ASN A 59 -34.658 -4.921 -11.782 1.00 0.00 N ATOM 955 CA ASN A 59 -35.467 -3.814 -11.194 1.00 0.00 C ATOM 956 C ASN A 59 -35.601 -2.669 -12.200 1.00 0.00 C ATOM 957 O ASN A 59 -36.576 -1.944 -12.203 1.00 0.00 O ATOM 958 CB ASN A 59 -34.681 -3.360 -9.964 1.00 0.00 C ATOM 959 CG ASN A 59 -35.646 -3.120 -8.802 1.00 0.00 C ATOM 960 OD1 ASN A 59 -35.361 -3.478 -7.676 1.00 0.00 O ATOM 961 ND2 ASN A 59 -36.784 -2.522 -9.028 1.00 0.00 N ATOM 0 H ASN A 59 -33.670 -4.918 -11.530 1.00 0.00 H new ATOM 0 HA ASN A 59 -36.478 -4.130 -10.936 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -33.946 -4.116 -9.690 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -34.130 -2.446 -10.188 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -37.434 -2.355 -8.260 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -37.023 -2.221 -9.973 1.00 0.00 H new ATOM 968 N LEU A 60 -34.630 -2.502 -13.054 1.00 0.00 N ATOM 969 CA LEU A 60 -34.702 -1.404 -14.060 1.00 0.00 C ATOM 970 C LEU A 60 -35.807 -1.698 -15.078 1.00 0.00 C ATOM 971 O LEU A 60 -36.457 -0.802 -15.580 1.00 0.00 O ATOM 972 CB LEU A 60 -33.333 -1.399 -14.741 1.00 0.00 C ATOM 973 CG LEU A 60 -32.914 0.043 -15.034 1.00 0.00 C ATOM 974 CD1 LEU A 60 -31.387 0.137 -15.057 1.00 0.00 C ATOM 975 CD2 LEU A 60 -33.469 0.468 -16.395 1.00 0.00 C ATOM 0 H LEU A 60 -33.789 -3.078 -13.099 1.00 0.00 H new ATOM 0 HA LEU A 60 -34.933 -0.440 -13.606 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -32.594 -1.880 -14.100 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -33.374 -1.972 -15.667 1.00 0.00 H new ATOM 0 HG LEU A 60 -33.307 0.700 -14.258 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -31.089 1.164 -15.266 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -30.989 -0.167 -14.089 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -30.994 -0.520 -15.833 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -33.171 1.495 -16.605 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -33.075 -0.189 -17.170 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -34.557 0.401 -16.381 1.00 0.00 H new