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= -2.13! C(o=-2.1!,f=-2!) USER MOD Single : A 29 SER OG : rot 180:sc= 0.065 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= -0.445 K(o=-0.44,f=-3.5!) USER MOD Single : A 40 SER OG : rot 180:sc=-0.00568 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -140:sc= -0.0422 (180deg=-0.559) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.0335 X(o=-0.033,f=-0.22) USER MOD Single : A 58 GLN : amide:sc= -0.626 K(o=-0.63,f=-1.4!) USER MOD Single : A 59 ASN : amide:sc= -0.185 K(o=-0.18,f=-0.95) USER MOD ----------------------------------------------------------------- ATOM 236 N ASP A 15 25.442 7.306 0.924 1.00 0.00 N ATOM 237 CA ASP A 15 24.089 7.274 0.297 1.00 0.00 C ATOM 238 C ASP A 15 23.509 5.859 0.365 1.00 0.00 C ATOM 239 O ASP A 15 22.361 5.635 0.042 1.00 0.00 O ATOM 240 CB ASP A 15 24.320 7.687 -1.156 1.00 0.00 C ATOM 241 CG ASP A 15 24.844 9.123 -1.202 1.00 0.00 C ATOM 242 OD1 ASP A 15 24.085 10.020 -0.876 1.00 0.00 O ATOM 243 OD2 ASP A 15 25.996 9.301 -1.565 1.00 0.00 O ATOM 0 HA ASP A 15 23.382 7.932 0.803 1.00 0.00 H new ATOM 0 HB2 ASP A 15 25.035 7.013 -1.627 1.00 0.00 H new ATOM 0 HB3 ASP A 15 23.390 7.610 -1.719 1.00 0.00 H new ATOM 248 N LYS A 16 24.301 4.906 0.776 1.00 0.00 N ATOM 249 CA LYS A 16 23.807 3.499 0.863 1.00 0.00 C ATOM 250 C LYS A 16 22.371 3.465 1.393 1.00 0.00 C ATOM 251 O LYS A 16 21.430 3.269 0.650 1.00 0.00 O ATOM 252 CB LYS A 16 24.754 2.807 1.844 1.00 0.00 C ATOM 253 CG LYS A 16 25.674 1.853 1.081 1.00 0.00 C ATOM 254 CD LYS A 16 25.502 0.434 1.624 1.00 0.00 C ATOM 255 CE LYS A 16 25.023 -0.490 0.501 1.00 0.00 C ATOM 256 NZ LYS A 16 23.768 -1.103 1.018 1.00 0.00 N ATOM 0 H LYS A 16 25.272 5.040 1.057 1.00 0.00 H new ATOM 0 HA LYS A 16 23.794 3.010 -0.111 1.00 0.00 H new ATOM 0 HB2 LYS A 16 25.346 3.550 2.379 1.00 0.00 H new ATOM 0 HB3 LYS A 16 24.182 2.257 2.591 1.00 0.00 H new ATOM 0 HG2 LYS A 16 25.439 1.877 0.017 1.00 0.00 H new ATOM 0 HG3 LYS A 16 26.712 2.170 1.185 1.00 0.00 H new ATOM 0 HD2 LYS A 16 26.447 0.072 2.029 1.00 0.00 H new ATOM 0 HD3 LYS A 16 24.782 0.432 2.443 1.00 0.00 H new ATOM 0 HE2 LYS A 16 24.841 0.067 -0.418 1.00 0.00 H new ATOM 0 HE3 LYS A 16 25.769 -1.251 0.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 23.378 -1.751 0.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 23.973 -1.632 1.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 23.075 -0.355 1.222 1.00 0.00 H new ATOM 270 N ALA A 17 22.200 3.649 2.671 1.00 0.00 N ATOM 271 CA ALA A 17 20.827 3.624 3.253 1.00 0.00 C ATOM 272 C ALA A 17 19.851 4.374 2.345 1.00 0.00 C ATOM 273 O ALA A 17 18.725 3.961 2.151 1.00 0.00 O ATOM 274 CB ALA A 17 20.954 4.328 4.603 1.00 0.00 C ATOM 0 H ALA A 17 22.952 3.816 3.340 1.00 0.00 H new ATOM 0 HA ALA A 17 20.444 2.609 3.358 1.00 0.00 H new ATOM 0 HB1 ALA A 17 19.981 4.350 5.095 1.00 0.00 H new ATOM 0 HB2 ALA A 17 21.665 3.789 5.229 1.00 0.00 H new ATOM 0 HB3 ALA A 17 21.306 5.348 4.450 1.00 0.00 H new ATOM 280 N LEU A 18 20.277 5.469 1.784 1.00 0.00 N ATOM 281 CA LEU A 18 19.375 6.242 0.883 1.00 0.00 C ATOM 282 C LEU A 18 19.226 5.513 -0.451 1.00 0.00 C ATOM 283 O LEU A 18 18.188 5.552 -1.080 1.00 0.00 O ATOM 284 CB LEU A 18 20.071 7.590 0.687 1.00 0.00 C ATOM 285 CG LEU A 18 19.022 8.702 0.631 1.00 0.00 C ATOM 286 CD1 LEU A 18 18.139 8.510 -0.602 1.00 0.00 C ATOM 287 CD2 LEU A 18 18.156 8.648 1.891 1.00 0.00 C ATOM 0 H LEU A 18 21.209 5.863 1.909 1.00 0.00 H new ATOM 0 HA LEU A 18 18.373 6.361 1.296 1.00 0.00 H new ATOM 0 HB2 LEU A 18 20.768 7.774 1.505 1.00 0.00 H new ATOM 0 HB3 LEU A 18 20.655 7.579 -0.233 1.00 0.00 H new ATOM 0 HG LEU A 18 19.521 9.669 0.573 1.00 0.00 H new ATOM 0 HD11 LEU A 18 17.392 9.303 -0.641 1.00 0.00 H new ATOM 0 HD12 LEU A 18 18.755 8.547 -1.500 1.00 0.00 H new ATOM 0 HD13 LEU A 18 17.639 7.543 -0.545 1.00 0.00 H new ATOM 0 HD21 LEU A 18 17.408 9.440 1.853 1.00 0.00 H new ATOM 0 HD22 LEU A 18 17.657 7.680 1.949 1.00 0.00 H new ATOM 0 HD23 LEU A 18 18.785 8.785 2.771 1.00 0.00 H new ATOM 299 N ALA A 19 20.255 4.841 -0.882 1.00 0.00 N ATOM 300 CA ALA A 19 20.174 4.099 -2.170 1.00 0.00 C ATOM 301 C ALA A 19 19.421 2.784 -1.962 1.00 0.00 C ATOM 302 O ALA A 19 19.001 2.141 -2.904 1.00 0.00 O ATOM 303 CB ALA A 19 21.625 3.832 -2.568 1.00 0.00 C ATOM 0 H ALA A 19 21.150 4.773 -0.398 1.00 0.00 H new ATOM 0 HA ALA A 19 19.642 4.657 -2.941 1.00 0.00 H new ATOM 0 HB1 ALA A 19 21.649 3.286 -3.511 1.00 0.00 H new ATOM 0 HB2 ALA A 19 22.151 4.780 -2.683 1.00 0.00 H new ATOM 0 HB3 ALA A 19 22.112 3.239 -1.793 1.00 0.00 H new ATOM 309 N VAL A 20 19.244 2.383 -0.733 1.00 0.00 N ATOM 310 CA VAL A 20 18.515 1.118 -0.459 1.00 0.00 C ATOM 311 C VAL A 20 17.005 1.389 -0.456 1.00 0.00 C ATOM 312 O VAL A 20 16.212 0.541 -0.815 1.00 0.00 O ATOM 313 CB VAL A 20 19.027 0.676 0.924 1.00 0.00 C ATOM 314 CG1 VAL A 20 17.886 0.103 1.769 1.00 0.00 C ATOM 315 CG2 VAL A 20 20.104 -0.396 0.741 1.00 0.00 C ATOM 0 H VAL A 20 19.575 2.880 0.094 1.00 0.00 H new ATOM 0 HA VAL A 20 18.683 0.343 -1.207 1.00 0.00 H new ATOM 0 HB VAL A 20 19.439 1.544 1.438 1.00 0.00 H new ATOM 0 HG11 VAL A 20 18.272 -0.203 2.742 1.00 0.00 H new ATOM 0 HG12 VAL A 20 17.117 0.864 1.906 1.00 0.00 H new ATOM 0 HG13 VAL A 20 17.456 -0.760 1.262 1.00 0.00 H new ATOM 0 HG21 VAL A 20 20.471 -0.713 1.717 1.00 0.00 H new ATOM 0 HG22 VAL A 20 19.680 -1.252 0.217 1.00 0.00 H new ATOM 0 HG23 VAL A 20 20.929 0.013 0.159 1.00 0.00 H new ATOM 325 N GLU A 21 16.603 2.568 -0.060 1.00 0.00 N ATOM 326 CA GLU A 21 15.148 2.885 -0.044 1.00 0.00 C ATOM 327 C GLU A 21 14.647 3.104 -1.471 1.00 0.00 C ATOM 328 O GLU A 21 13.508 2.824 -1.791 1.00 0.00 O ATOM 329 CB GLU A 21 15.028 4.173 0.774 1.00 0.00 C ATOM 330 CG GLU A 21 13.573 4.647 0.771 1.00 0.00 C ATOM 331 CD GLU A 21 12.818 3.985 1.924 1.00 0.00 C ATOM 332 OE1 GLU A 21 13.406 3.834 2.982 1.00 0.00 O ATOM 333 OE2 GLU A 21 11.664 3.640 1.730 1.00 0.00 O ATOM 0 H GLU A 21 17.217 3.321 0.251 1.00 0.00 H new ATOM 0 HA GLU A 21 14.552 2.079 0.384 1.00 0.00 H new ATOM 0 HB2 GLU A 21 15.363 3.999 1.797 1.00 0.00 H new ATOM 0 HB3 GLU A 21 15.674 4.944 0.354 1.00 0.00 H new ATOM 0 HG2 GLU A 21 13.533 5.732 0.871 1.00 0.00 H new ATOM 0 HG3 GLU A 21 13.100 4.397 -0.179 1.00 0.00 H new ATOM 340 N GLN A 22 15.494 3.587 -2.336 1.00 0.00 N ATOM 341 CA GLN A 22 15.068 3.806 -3.748 1.00 0.00 C ATOM 342 C GLN A 22 15.047 2.468 -4.480 1.00 0.00 C ATOM 343 O GLN A 22 14.147 2.173 -5.240 1.00 0.00 O ATOM 344 CB GLN A 22 16.122 4.735 -4.352 1.00 0.00 C ATOM 345 CG GLN A 22 15.519 5.489 -5.539 1.00 0.00 C ATOM 346 CD GLN A 22 16.521 5.508 -6.695 1.00 0.00 C ATOM 347 OE1 GLN A 22 16.764 4.495 -7.319 1.00 0.00 O ATOM 348 NE2 GLN A 22 17.117 6.626 -7.007 1.00 0.00 N ATOM 0 H GLN A 22 16.460 3.839 -2.128 1.00 0.00 H new ATOM 0 HA GLN A 22 14.070 4.238 -3.823 1.00 0.00 H new ATOM 0 HB2 GLN A 22 16.473 5.441 -3.600 1.00 0.00 H new ATOM 0 HB3 GLN A 22 16.988 4.158 -4.676 1.00 0.00 H new ATOM 0 HG2 GLN A 22 14.592 5.010 -5.855 1.00 0.00 H new ATOM 0 HG3 GLN A 22 15.267 6.508 -5.246 1.00 0.00 H new ATOM 0 HE21 GLN A 22 16.912 7.477 -6.483 1.00 0.00 H new ATOM 0 HE22 GLN A 22 17.787 6.649 -7.775 1.00 0.00 H new ATOM 357 N PHE A 23 16.034 1.654 -4.243 1.00 0.00 N ATOM 358 CA PHE A 23 16.078 0.324 -4.911 1.00 0.00 C ATOM 359 C PHE A 23 14.899 -0.527 -4.436 1.00 0.00 C ATOM 360 O PHE A 23 14.406 -1.376 -5.151 1.00 0.00 O ATOM 361 CB PHE A 23 17.404 -0.300 -4.471 1.00 0.00 C ATOM 362 CG PHE A 23 18.417 -0.160 -5.581 1.00 0.00 C ATOM 363 CD1 PHE A 23 18.139 -0.673 -6.853 1.00 0.00 C ATOM 364 CD2 PHE A 23 19.637 0.484 -5.339 1.00 0.00 C ATOM 365 CE1 PHE A 23 19.079 -0.543 -7.883 1.00 0.00 C ATOM 366 CE2 PHE A 23 20.577 0.614 -6.368 1.00 0.00 C ATOM 367 CZ PHE A 23 20.298 0.100 -7.640 1.00 0.00 C ATOM 0 H PHE A 23 16.813 1.851 -3.615 1.00 0.00 H new ATOM 0 HA PHE A 23 16.009 0.398 -5.996 1.00 0.00 H new ATOM 0 HB2 PHE A 23 17.767 0.191 -3.568 1.00 0.00 H new ATOM 0 HB3 PHE A 23 17.260 -1.352 -4.226 1.00 0.00 H new ATOM 0 HD1 PHE A 23 17.199 -1.170 -7.041 1.00 0.00 H new ATOM 0 HD2 PHE A 23 19.853 0.881 -4.358 1.00 0.00 H new ATOM 0 HE1 PHE A 23 18.863 -0.939 -8.864 1.00 0.00 H new ATOM 0 HE2 PHE A 23 21.517 1.111 -6.181 1.00 0.00 H new ATOM 0 HZ PHE A 23 21.024 0.200 -8.434 1.00 0.00 H new ATOM 377 N ILE A 24 14.439 -0.302 -3.233 1.00 0.00 N ATOM 378 CA ILE A 24 13.288 -1.096 -2.718 1.00 0.00 C ATOM 379 C ILE A 24 12.036 -0.802 -3.550 1.00 0.00 C ATOM 380 O ILE A 24 11.197 -1.658 -3.750 1.00 0.00 O ATOM 381 CB ILE A 24 13.097 -0.628 -1.275 1.00 0.00 C ATOM 382 CG1 ILE A 24 14.186 -1.244 -0.394 1.00 0.00 C ATOM 383 CG2 ILE A 24 11.723 -1.072 -0.770 1.00 0.00 C ATOM 384 CD1 ILE A 24 14.343 -0.412 0.881 1.00 0.00 C ATOM 0 H ILE A 24 14.810 0.395 -2.588 1.00 0.00 H new ATOM 0 HA ILE A 24 13.465 -2.170 -2.775 1.00 0.00 H new ATOM 0 HB ILE A 24 13.164 0.459 -1.234 1.00 0.00 H new ATOM 0 HG12 ILE A 24 13.925 -2.272 -0.141 1.00 0.00 H new ATOM 0 HG13 ILE A 24 15.131 -1.279 -0.937 1.00 0.00 H new ATOM 0 HG21 ILE A 24 11.588 -0.738 0.259 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.946 -0.636 -1.398 1.00 0.00 H new ATOM 0 HG23 ILE A 24 11.654 -2.159 -0.810 1.00 0.00 H new ATOM 0 HD11 ILE A 24 15.119 -0.851 1.509 1.00 0.00 H new ATOM 0 HD12 ILE A 24 14.623 0.608 0.618 1.00 0.00 H new ATOM 0 HD13 ILE A 24 13.399 -0.400 1.426 1.00 0.00 H new ATOM 396 N SER A 25 11.906 0.402 -4.037 1.00 0.00 N ATOM 397 CA SER A 25 10.710 0.746 -4.858 1.00 0.00 C ATOM 398 C SER A 25 10.802 0.075 -6.231 1.00 0.00 C ATOM 399 O SER A 25 9.809 -0.144 -6.894 1.00 0.00 O ATOM 400 CB SER A 25 10.752 2.267 -4.999 1.00 0.00 C ATOM 401 OG SER A 25 9.573 2.710 -5.658 1.00 0.00 O ATOM 0 H SER A 25 12.574 1.161 -3.902 1.00 0.00 H new ATOM 0 HA SER A 25 9.781 0.405 -4.400 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.830 2.733 -4.017 1.00 0.00 H new ATOM 0 HB3 SER A 25 11.634 2.567 -5.565 1.00 0.00 H new ATOM 0 HG SER A 25 9.596 3.686 -5.749 1.00 0.00 H new ATOM 407 N ARG A 26 11.990 -0.253 -6.661 1.00 0.00 N ATOM 408 CA ARG A 26 12.147 -0.911 -7.989 1.00 0.00 C ATOM 409 C ARG A 26 12.283 -2.425 -7.816 1.00 0.00 C ATOM 410 O ARG A 26 11.914 -3.196 -8.680 1.00 0.00 O ATOM 411 CB ARG A 26 13.430 -0.321 -8.576 1.00 0.00 C ATOM 412 CG ARG A 26 13.074 0.739 -9.620 1.00 0.00 C ATOM 413 CD ARG A 26 13.109 0.112 -11.016 1.00 0.00 C ATOM 414 NE ARG A 26 11.765 0.387 -11.595 1.00 0.00 N ATOM 415 CZ ARG A 26 11.644 0.649 -12.868 1.00 0.00 C ATOM 416 NH1 ARG A 26 12.527 1.399 -13.467 1.00 0.00 N ATOM 417 NH2 ARG A 26 10.639 0.160 -13.541 1.00 0.00 N ATOM 0 H ARG A 26 12.858 -0.094 -6.150 1.00 0.00 H new ATOM 0 HA ARG A 26 11.287 -0.741 -8.637 1.00 0.00 H new ATOM 0 HB2 ARG A 26 14.034 0.122 -7.784 1.00 0.00 H new ATOM 0 HB3 ARG A 26 14.030 -1.109 -9.032 1.00 0.00 H new ATOM 0 HG2 ARG A 26 12.083 1.146 -9.417 1.00 0.00 H new ATOM 0 HG3 ARG A 26 13.778 1.570 -9.565 1.00 0.00 H new ATOM 0 HD2 ARG A 26 13.899 0.550 -11.626 1.00 0.00 H new ATOM 0 HD3 ARG A 26 13.304 -0.959 -10.963 1.00 0.00 H new ATOM 0 HE ARG A 26 10.939 0.371 -10.997 1.00 0.00 H new ATOM 0 HH11 ARG A 26 13.313 1.781 -12.941 1.00 0.00 H new ATOM 0 HH12 ARG A 26 12.432 1.603 -14.462 1.00 0.00 H new ATOM 0 HH21 ARG A 26 9.949 -0.427 -13.072 1.00 0.00 H new ATOM 0 HH22 ARG A 26 10.544 0.364 -14.536 1.00 0.00 H new ATOM 431 N PHE A 27 12.807 -2.858 -6.702 1.00 0.00 N ATOM 432 CA PHE A 27 12.966 -4.322 -6.471 1.00 0.00 C ATOM 433 C PHE A 27 11.656 -4.917 -5.945 1.00 0.00 C ATOM 434 O PHE A 27 11.512 -6.116 -5.827 1.00 0.00 O ATOM 435 CB PHE A 27 14.066 -4.441 -5.417 1.00 0.00 C ATOM 436 CG PHE A 27 15.126 -5.378 -5.903 1.00 0.00 C ATOM 437 CD1 PHE A 27 16.198 -4.883 -6.637 1.00 0.00 C ATOM 438 CD2 PHE A 27 15.032 -6.735 -5.613 1.00 0.00 C ATOM 439 CE1 PHE A 27 17.194 -5.756 -7.094 1.00 0.00 C ATOM 440 CE2 PHE A 27 16.022 -7.616 -6.064 1.00 0.00 C ATOM 441 CZ PHE A 27 17.105 -7.126 -6.807 1.00 0.00 C ATOM 0 H PHE A 27 13.132 -2.261 -5.941 1.00 0.00 H new ATOM 0 HA PHE A 27 13.218 -4.859 -7.385 1.00 0.00 H new ATOM 0 HB2 PHE A 27 14.498 -3.461 -5.215 1.00 0.00 H new ATOM 0 HB3 PHE A 27 13.647 -4.805 -4.479 1.00 0.00 H new ATOM 0 HD1 PHE A 27 16.263 -3.827 -6.855 1.00 0.00 H new ATOM 0 HD2 PHE A 27 14.196 -7.109 -5.040 1.00 0.00 H new ATOM 0 HE1 PHE A 27 18.028 -5.375 -7.665 1.00 0.00 H new ATOM 0 HE2 PHE A 27 15.952 -8.670 -5.840 1.00 0.00 H new ATOM 0 HZ PHE A 27 17.870 -7.803 -7.158 1.00 0.00 H new ATOM 451 N ASN A 28 10.703 -4.084 -5.629 1.00 0.00 N ATOM 452 CA ASN A 28 9.402 -4.600 -5.111 1.00 0.00 C ATOM 453 C ASN A 28 8.663 -5.370 -6.209 1.00 0.00 C ATOM 454 O ASN A 28 7.556 -5.035 -6.578 1.00 0.00 O ATOM 455 CB ASN A 28 8.614 -3.353 -4.707 1.00 0.00 C ATOM 456 CG ASN A 28 8.716 -3.152 -3.195 1.00 0.00 C ATOM 457 OD1 ASN A 28 9.797 -3.164 -2.640 1.00 0.00 O ATOM 458 ND2 ASN A 28 7.629 -2.965 -2.498 1.00 0.00 N ATOM 0 H ASN A 28 10.768 -3.069 -5.707 1.00 0.00 H new ATOM 0 HA ASN A 28 9.534 -5.287 -4.275 1.00 0.00 H new ATOM 0 HB2 ASN A 28 9.004 -2.479 -5.228 1.00 0.00 H new ATOM 0 HB3 ASN A 28 7.570 -3.459 -5.001 1.00 0.00 H new ATOM 0 HD21 ASN A 28 7.687 -2.829 -1.489 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.721 -2.955 -2.962 1.00 0.00 H new ATOM 465 N SER A 29 9.268 -6.402 -6.732 1.00 0.00 N ATOM 466 CA SER A 29 8.600 -7.195 -7.803 1.00 0.00 C ATOM 467 C SER A 29 8.155 -8.552 -7.254 1.00 0.00 C ATOM 468 O SER A 29 7.220 -9.155 -7.742 1.00 0.00 O ATOM 469 CB SER A 29 9.664 -7.375 -8.885 1.00 0.00 C ATOM 470 OG SER A 29 10.953 -7.325 -8.287 1.00 0.00 O ATOM 0 H SER A 29 10.196 -6.730 -6.464 1.00 0.00 H new ATOM 0 HA SER A 29 7.708 -6.701 -8.189 1.00 0.00 H new ATOM 0 HB2 SER A 29 9.523 -8.328 -9.395 1.00 0.00 H new ATOM 0 HB3 SER A 29 9.569 -6.593 -9.639 1.00 0.00 H new ATOM 0 HG SER A 29 11.639 -7.442 -8.977 1.00 0.00 H new ATOM 476 N GLY A 30 8.818 -9.038 -6.240 1.00 0.00 N ATOM 477 CA GLY A 30 8.431 -10.354 -5.659 1.00 0.00 C ATOM 478 C GLY A 30 7.138 -10.196 -4.874 1.00 0.00 C ATOM 479 O GLY A 30 6.313 -11.087 -4.821 1.00 0.00 O ATOM 0 H GLY A 30 9.610 -8.580 -5.789 1.00 0.00 H new ATOM 0 HA2 GLY A 30 8.301 -11.090 -6.452 1.00 0.00 H new ATOM 0 HA3 GLY A 30 9.223 -10.724 -5.007 1.00 0.00 H new ATOM 483 N TYR A 31 6.950 -9.061 -4.274 1.00 0.00 N ATOM 484 CA TYR A 31 5.705 -8.824 -3.500 1.00 0.00 C ATOM 485 C TYR A 31 4.508 -8.757 -4.453 1.00 0.00 C ATOM 486 O TYR A 31 3.375 -8.639 -4.032 1.00 0.00 O ATOM 487 CB TYR A 31 5.924 -7.478 -2.812 1.00 0.00 C ATOM 488 CG TYR A 31 4.826 -7.244 -1.805 1.00 0.00 C ATOM 489 CD1 TYR A 31 4.598 -8.182 -0.793 1.00 0.00 C ATOM 490 CD2 TYR A 31 4.038 -6.090 -1.883 1.00 0.00 C ATOM 491 CE1 TYR A 31 3.579 -7.967 0.144 1.00 0.00 C ATOM 492 CE2 TYR A 31 3.019 -5.874 -0.947 1.00 0.00 C ATOM 493 CZ TYR A 31 2.790 -6.812 0.066 1.00 0.00 C ATOM 494 OH TYR A 31 1.786 -6.599 0.989 1.00 0.00 O ATOM 0 H TYR A 31 7.608 -8.282 -4.285 1.00 0.00 H new ATOM 0 HA TYR A 31 5.498 -9.617 -2.782 1.00 0.00 H new ATOM 0 HB2 TYR A 31 6.895 -7.464 -2.317 1.00 0.00 H new ATOM 0 HB3 TYR A 31 5.931 -6.677 -3.551 1.00 0.00 H new ATOM 0 HD1 TYR A 31 5.207 -9.072 -0.734 1.00 0.00 H new ATOM 0 HD2 TYR A 31 4.216 -5.366 -2.665 1.00 0.00 H new ATOM 0 HE1 TYR A 31 3.402 -8.691 0.926 1.00 0.00 H new ATOM 0 HE2 TYR A 31 2.410 -4.984 -1.007 1.00 0.00 H new ATOM 0 HH TYR A 31 1.336 -5.751 0.793 1.00 0.00 H new ATOM 504 N ILE A 32 4.750 -8.834 -5.737 1.00 0.00 N ATOM 505 CA ILE A 32 3.622 -8.777 -6.710 1.00 0.00 C ATOM 506 C ILE A 32 2.924 -10.136 -6.781 1.00 0.00 C ATOM 507 O ILE A 32 1.778 -10.238 -7.174 1.00 0.00 O ATOM 508 CB ILE A 32 4.272 -8.432 -8.050 1.00 0.00 C ATOM 509 CG1 ILE A 32 4.631 -6.945 -8.074 1.00 0.00 C ATOM 510 CG2 ILE A 32 3.296 -8.738 -9.187 1.00 0.00 C ATOM 511 CD1 ILE A 32 5.627 -6.677 -9.204 1.00 0.00 C ATOM 0 H ILE A 32 5.677 -8.933 -6.151 1.00 0.00 H new ATOM 0 HA ILE A 32 2.865 -8.045 -6.428 1.00 0.00 H new ATOM 0 HB ILE A 32 5.176 -9.028 -8.178 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.732 -6.346 -8.218 1.00 0.00 H new ATOM 0 HG13 ILE A 32 5.062 -6.649 -7.118 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.761 -8.492 -10.142 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.039 -9.797 -9.171 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.391 -8.144 -9.060 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.882 -5.617 -9.220 1.00 0.00 H new ATOM 0 HD12 ILE A 32 6.530 -7.265 -9.040 1.00 0.00 H new ATOM 0 HD13 ILE A 32 5.179 -6.957 -10.158 1.00 0.00 H new ATOM 523 N LYS A 33 3.605 -11.182 -6.400 1.00 0.00 N ATOM 524 CA LYS A 33 2.980 -12.534 -6.442 1.00 0.00 C ATOM 525 C LYS A 33 1.906 -12.652 -5.357 1.00 0.00 C ATOM 526 O LYS A 33 0.868 -13.249 -5.561 1.00 0.00 O ATOM 527 CB LYS A 33 4.126 -13.509 -6.170 1.00 0.00 C ATOM 528 CG LYS A 33 3.808 -14.864 -6.808 1.00 0.00 C ATOM 529 CD LYS A 33 5.111 -15.571 -7.183 1.00 0.00 C ATOM 530 CE LYS A 33 5.534 -16.502 -6.044 1.00 0.00 C ATOM 531 NZ LYS A 33 6.778 -15.896 -5.494 1.00 0.00 N ATOM 0 H LYS A 33 4.567 -11.159 -6.062 1.00 0.00 H new ATOM 0 HA LYS A 33 2.492 -12.735 -7.396 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.057 -13.114 -6.576 1.00 0.00 H new ATOM 0 HB3 LYS A 33 4.271 -13.626 -5.096 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.235 -15.479 -6.114 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.190 -14.724 -7.695 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.976 -16.142 -8.102 1.00 0.00 H new ATOM 0 HD3 LYS A 33 5.893 -14.837 -7.376 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.758 -16.571 -5.282 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.715 -17.514 -6.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 7.130 -16.479 -4.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 7.501 -15.849 -6.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.574 -14.936 -5.150 1.00 0.00 H new ATOM 545 N ALA A 34 2.146 -12.084 -4.207 1.00 0.00 N ATOM 546 CA ALA A 34 1.137 -12.162 -3.113 1.00 0.00 C ATOM 547 C ALA A 34 0.044 -11.114 -3.331 1.00 0.00 C ATOM 548 O ALA A 34 -1.115 -11.343 -3.045 1.00 0.00 O ATOM 549 CB ALA A 34 1.916 -11.867 -1.831 1.00 0.00 C ATOM 0 H ALA A 34 2.996 -11.570 -3.978 1.00 0.00 H new ATOM 0 HA ALA A 34 0.644 -13.133 -3.073 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.240 -11.906 -0.977 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.703 -12.610 -1.704 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.361 -10.874 -1.896 1.00 0.00 H new ATOM 555 N SER A 35 0.403 -9.969 -3.837 1.00 0.00 N ATOM 556 CA SER A 35 -0.617 -8.909 -4.078 1.00 0.00 C ATOM 557 C SER A 35 -1.765 -9.475 -4.913 1.00 0.00 C ATOM 558 O SER A 35 -2.888 -9.017 -4.837 1.00 0.00 O ATOM 559 CB SER A 35 0.119 -7.813 -4.846 1.00 0.00 C ATOM 560 OG SER A 35 -0.295 -6.541 -4.362 1.00 0.00 O ATOM 0 H SER A 35 1.358 -9.720 -4.095 1.00 0.00 H new ATOM 0 HA SER A 35 -1.050 -8.530 -3.152 1.00 0.00 H new ATOM 0 HB2 SER A 35 1.196 -7.928 -4.724 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.092 -7.896 -5.912 1.00 0.00 H new ATOM 0 HG SER A 35 0.177 -5.835 -4.852 1.00 0.00 H new ATOM 566 N GLN A 36 -1.494 -10.476 -5.704 1.00 0.00 N ATOM 567 CA GLN A 36 -2.574 -11.081 -6.535 1.00 0.00 C ATOM 568 C GLN A 36 -3.469 -11.945 -5.651 1.00 0.00 C ATOM 569 O GLN A 36 -4.676 -11.949 -5.778 1.00 0.00 O ATOM 570 CB GLN A 36 -1.852 -11.946 -7.571 1.00 0.00 C ATOM 571 CG GLN A 36 -2.754 -12.140 -8.791 1.00 0.00 C ATOM 572 CD GLN A 36 -3.166 -13.610 -8.894 1.00 0.00 C ATOM 573 OE1 GLN A 36 -2.874 -14.398 -8.017 1.00 0.00 O ATOM 574 NE2 GLN A 36 -3.837 -14.015 -9.937 1.00 0.00 N ATOM 0 H GLN A 36 -0.573 -10.901 -5.811 1.00 0.00 H new ATOM 0 HA GLN A 36 -3.205 -10.330 -7.011 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -0.917 -11.471 -7.869 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.595 -12.913 -7.138 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -3.639 -11.509 -8.706 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -2.230 -11.834 -9.696 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -4.083 -13.354 -10.674 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -4.116 -14.993 -10.016 1.00 0.00 H new ATOM 583 N GLU A 37 -2.875 -12.672 -4.749 1.00 0.00 N ATOM 584 CA GLU A 37 -3.677 -13.538 -3.838 1.00 0.00 C ATOM 585 C GLU A 37 -4.595 -12.672 -2.976 1.00 0.00 C ATOM 586 O GLU A 37 -5.682 -13.075 -2.610 1.00 0.00 O ATOM 587 CB GLU A 37 -2.648 -14.264 -2.968 1.00 0.00 C ATOM 588 CG GLU A 37 -3.329 -15.420 -2.231 1.00 0.00 C ATOM 589 CD GLU A 37 -2.477 -16.683 -2.364 1.00 0.00 C ATOM 590 OE1 GLU A 37 -1.991 -16.934 -3.455 1.00 0.00 O ATOM 591 OE2 GLU A 37 -2.323 -17.377 -1.373 1.00 0.00 O ATOM 0 H GLU A 37 -1.866 -12.705 -4.601 1.00 0.00 H new ATOM 0 HA GLU A 37 -4.311 -14.239 -4.381 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.834 -14.642 -3.587 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.208 -13.571 -2.251 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -3.461 -15.167 -1.179 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -4.323 -15.594 -2.644 1.00 0.00 H new ATOM 598 N LEU A 38 -4.168 -11.483 -2.651 1.00 0.00 N ATOM 599 CA LEU A 38 -5.020 -10.588 -1.817 1.00 0.00 C ATOM 600 C LEU A 38 -6.203 -10.082 -2.642 1.00 0.00 C ATOM 601 O LEU A 38 -7.287 -9.877 -2.132 1.00 0.00 O ATOM 602 CB LEU A 38 -4.108 -9.428 -1.414 1.00 0.00 C ATOM 603 CG LEU A 38 -3.659 -9.611 0.037 1.00 0.00 C ATOM 604 CD1 LEU A 38 -2.356 -10.411 0.072 1.00 0.00 C ATOM 605 CD2 LEU A 38 -3.431 -8.240 0.676 1.00 0.00 C ATOM 0 H LEU A 38 -3.267 -11.092 -2.926 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.431 -11.098 -0.946 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.240 -9.389 -2.072 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.636 -8.481 -1.526 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.430 -10.148 0.590 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.037 -10.541 1.106 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.517 -11.388 -0.384 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.585 -9.875 -0.481 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.111 -8.369 1.710 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.660 -7.704 0.122 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.359 -7.669 0.652 1.00 0.00 H new ATOM 617 N VAL A 39 -6.005 -9.887 -3.915 1.00 0.00 N ATOM 618 CA VAL A 39 -7.119 -9.404 -4.776 1.00 0.00 C ATOM 619 C VAL A 39 -8.202 -10.480 -4.872 1.00 0.00 C ATOM 620 O VAL A 39 -9.361 -10.192 -5.095 1.00 0.00 O ATOM 621 CB VAL A 39 -6.486 -9.154 -6.145 1.00 0.00 C ATOM 622 CG1 VAL A 39 -7.439 -8.322 -7.004 1.00 0.00 C ATOM 623 CG2 VAL A 39 -5.169 -8.396 -5.965 1.00 0.00 C ATOM 0 H VAL A 39 -5.119 -10.041 -4.397 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.592 -8.505 -4.381 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.294 -10.108 -6.636 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.988 -8.144 -7.980 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.378 -8.860 -7.131 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.632 -7.368 -6.514 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.716 -8.217 -6.940 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.362 -7.442 -5.474 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -4.489 -8.988 -5.353 1.00 0.00 H new ATOM 633 N SER A 40 -7.833 -11.720 -4.699 1.00 0.00 N ATOM 634 CA SER A 40 -8.840 -12.814 -4.774 1.00 0.00 C ATOM 635 C SER A 40 -9.829 -12.694 -3.613 1.00 0.00 C ATOM 636 O SER A 40 -10.974 -13.087 -3.716 1.00 0.00 O ATOM 637 CB SER A 40 -8.033 -14.107 -4.660 1.00 0.00 C ATOM 638 OG SER A 40 -8.676 -15.130 -5.409 1.00 0.00 O ATOM 0 H SER A 40 -6.877 -12.022 -4.509 1.00 0.00 H new ATOM 0 HA SER A 40 -9.422 -12.780 -5.695 1.00 0.00 H new ATOM 0 HB2 SER A 40 -7.020 -13.951 -5.031 1.00 0.00 H new ATOM 0 HB3 SER A 40 -7.947 -14.405 -3.615 1.00 0.00 H new ATOM 0 HG SER A 40 -8.160 -15.960 -5.339 1.00 0.00 H new ATOM 644 N TYR A 41 -9.395 -12.148 -2.510 1.00 0.00 N ATOM 645 CA TYR A 41 -10.312 -11.999 -1.343 1.00 0.00 C ATOM 646 C TYR A 41 -11.472 -11.068 -1.703 1.00 0.00 C ATOM 647 O TYR A 41 -12.572 -11.208 -1.207 1.00 0.00 O ATOM 648 CB TYR A 41 -9.452 -11.385 -0.239 1.00 0.00 C ATOM 649 CG TYR A 41 -9.493 -12.271 0.983 1.00 0.00 C ATOM 650 CD1 TYR A 41 -9.290 -13.650 0.856 1.00 0.00 C ATOM 651 CD2 TYR A 41 -9.735 -11.714 2.244 1.00 0.00 C ATOM 652 CE1 TYR A 41 -9.328 -14.472 1.988 1.00 0.00 C ATOM 653 CE2 TYR A 41 -9.773 -12.536 3.377 1.00 0.00 C ATOM 654 CZ TYR A 41 -9.569 -13.915 3.250 1.00 0.00 C ATOM 655 OH TYR A 41 -9.608 -14.724 4.366 1.00 0.00 O ATOM 0 H TYR A 41 -8.447 -11.799 -2.366 1.00 0.00 H new ATOM 0 HA TYR A 41 -10.750 -12.949 -1.035 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -8.424 -11.271 -0.585 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -9.817 -10.388 0.009 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -9.104 -14.080 -0.117 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -9.892 -10.650 2.343 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -9.171 -15.536 1.888 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -9.960 -12.106 4.350 1.00 0.00 H new ATOM 0 HH TYR A 41 -9.785 -14.178 5.160 1.00 0.00 H new ATOM 665 N THR A 42 -11.232 -10.119 -2.565 1.00 0.00 N ATOM 666 CA THR A 42 -12.319 -9.177 -2.961 1.00 0.00 C ATOM 667 C THR A 42 -13.072 -9.721 -4.178 1.00 0.00 C ATOM 668 O THR A 42 -14.206 -9.364 -4.429 1.00 0.00 O ATOM 669 CB THR A 42 -11.605 -7.872 -3.309 1.00 0.00 C ATOM 670 OG1 THR A 42 -11.196 -7.224 -2.113 1.00 0.00 O ATOM 671 CG2 THR A 42 -12.554 -6.960 -4.088 1.00 0.00 C ATOM 0 H THR A 42 -10.331 -9.954 -3.013 1.00 0.00 H new ATOM 0 HA THR A 42 -13.055 -9.038 -2.169 1.00 0.00 H new ATOM 0 HB THR A 42 -10.730 -8.089 -3.922 1.00 0.00 H new ATOM 0 HG1 THR A 42 -10.736 -6.387 -2.335 1.00 0.00 H new ATOM 0 HG21 THR A 42 -12.043 -6.030 -4.335 1.00 0.00 H new ATOM 0 HG22 THR A 42 -12.865 -7.458 -5.006 1.00 0.00 H new ATOM 0 HG23 THR A 42 -13.431 -6.741 -3.478 1.00 0.00 H new ATOM 679 N ILE A 43 -12.451 -10.584 -4.936 1.00 0.00 N ATOM 680 CA ILE A 43 -13.137 -11.148 -6.133 1.00 0.00 C ATOM 681 C ILE A 43 -14.553 -11.597 -5.766 1.00 0.00 C ATOM 682 O ILE A 43 -15.432 -11.660 -6.602 1.00 0.00 O ATOM 683 CB ILE A 43 -12.284 -12.346 -6.550 1.00 0.00 C ATOM 684 CG1 ILE A 43 -11.013 -11.849 -7.243 1.00 0.00 C ATOM 685 CG2 ILE A 43 -13.078 -13.228 -7.516 1.00 0.00 C ATOM 686 CD1 ILE A 43 -10.271 -13.035 -7.862 1.00 0.00 C ATOM 0 H ILE A 43 -11.501 -10.922 -4.779 1.00 0.00 H new ATOM 0 HA ILE A 43 -13.234 -10.418 -6.937 1.00 0.00 H new ATOM 0 HB ILE A 43 -12.016 -12.925 -5.667 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -11.267 -11.123 -8.015 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -10.370 -11.339 -6.525 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -12.469 -14.082 -7.813 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -13.984 -13.582 -7.024 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -13.347 -12.649 -8.400 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -9.366 -12.681 -8.355 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -10.003 -13.745 -7.080 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -10.914 -13.525 -8.593 1.00 0.00 H new ATOM 698 N LYS A 44 -14.780 -11.909 -4.519 1.00 0.00 N ATOM 699 CA LYS A 44 -16.140 -12.352 -4.097 1.00 0.00 C ATOM 700 C LYS A 44 -16.873 -11.210 -3.397 1.00 0.00 C ATOM 701 O LYS A 44 -17.813 -11.418 -2.655 1.00 0.00 O ATOM 702 CB LYS A 44 -15.897 -13.507 -3.128 1.00 0.00 C ATOM 703 CG LYS A 44 -16.421 -14.808 -3.739 1.00 0.00 C ATOM 704 CD LYS A 44 -17.576 -15.342 -2.890 1.00 0.00 C ATOM 705 CE LYS A 44 -18.395 -16.341 -3.711 1.00 0.00 C ATOM 706 NZ LYS A 44 -19.201 -15.504 -4.641 1.00 0.00 N ATOM 0 H LYS A 44 -14.083 -11.876 -3.775 1.00 0.00 H new ATOM 0 HA LYS A 44 -16.757 -12.654 -4.943 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -14.832 -13.597 -2.913 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -16.398 -13.311 -2.180 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -16.758 -14.633 -4.761 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -15.621 -15.547 -3.789 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -17.189 -15.824 -1.992 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -18.210 -14.519 -2.561 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -17.748 -17.027 -4.257 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -19.035 -16.948 -3.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -20.159 -15.900 -4.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -19.258 -14.533 -4.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -18.750 -15.493 -5.578 1.00 0.00 H new ATOM 779 N PRO A 49 -19.990 -12.007 1.864 1.00 0.00 N ATOM 780 CA PRO A 49 -19.773 -13.436 2.181 1.00 0.00 C ATOM 781 C PRO A 49 -18.617 -13.598 3.171 1.00 0.00 C ATOM 782 O PRO A 49 -18.634 -14.460 4.027 1.00 0.00 O ATOM 783 CB PRO A 49 -19.418 -14.046 0.830 1.00 0.00 C ATOM 784 CG PRO A 49 -18.864 -12.916 0.015 1.00 0.00 C ATOM 785 CD PRO A 49 -19.421 -11.629 0.573 1.00 0.00 C ATOM 0 HA PRO A 49 -20.638 -13.908 2.647 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -18.686 -14.846 0.941 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -20.296 -14.481 0.353 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -17.775 -12.912 0.059 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -19.141 -13.029 -1.033 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -18.641 -10.876 0.688 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -20.179 -11.205 -0.086 1.00 0.00 H new ATOM 793 N ILE A 50 -17.612 -12.777 3.056 1.00 0.00 N ATOM 794 CA ILE A 50 -16.451 -12.883 3.986 1.00 0.00 C ATOM 795 C ILE A 50 -16.904 -12.643 5.428 1.00 0.00 C ATOM 796 O ILE A 50 -16.530 -13.357 6.337 1.00 0.00 O ATOM 797 CB ILE A 50 -15.475 -11.794 3.525 1.00 0.00 C ATOM 798 CG1 ILE A 50 -14.065 -12.138 4.011 1.00 0.00 C ATOM 799 CG2 ILE A 50 -15.889 -10.432 4.089 1.00 0.00 C ATOM 800 CD1 ILE A 50 -13.425 -13.146 3.054 1.00 0.00 C ATOM 0 H ILE A 50 -17.543 -12.036 2.358 1.00 0.00 H new ATOM 0 HA ILE A 50 -15.990 -13.871 3.967 1.00 0.00 H new ATOM 0 HB ILE A 50 -15.491 -11.744 2.436 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -13.457 -11.235 4.064 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -14.107 -12.553 5.018 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -15.186 -9.670 3.753 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -16.890 -10.182 3.738 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -15.886 -10.473 5.178 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -12.421 -13.390 3.401 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -14.029 -14.053 3.023 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -13.368 -12.714 2.055 1.00 0.00 H new ATOM 812 N GLU A 51 -17.707 -11.642 5.637 1.00 0.00 N ATOM 813 CA GLU A 51 -18.192 -11.348 7.016 1.00 0.00 C ATOM 814 C GLU A 51 -19.244 -12.379 7.435 1.00 0.00 C ATOM 815 O GLU A 51 -19.529 -12.548 8.604 1.00 0.00 O ATOM 816 CB GLU A 51 -18.809 -9.952 6.928 1.00 0.00 C ATOM 817 CG GLU A 51 -18.489 -9.172 8.204 1.00 0.00 C ATOM 818 CD GLU A 51 -19.178 -7.807 8.155 1.00 0.00 C ATOM 819 OE1 GLU A 51 -19.371 -7.303 7.061 1.00 0.00 O ATOM 820 OE2 GLU A 51 -19.501 -7.290 9.212 1.00 0.00 O ATOM 0 H GLU A 51 -18.051 -11.011 4.913 1.00 0.00 H new ATOM 0 HA GLU A 51 -17.393 -11.393 7.756 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -18.418 -9.424 6.058 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -19.888 -10.027 6.796 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -18.826 -9.730 9.078 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -17.411 -9.044 8.304 1.00 0.00 H new ATOM 827 N TYR A 52 -19.820 -13.068 6.489 1.00 0.00 N ATOM 828 CA TYR A 52 -20.850 -14.088 6.832 1.00 0.00 C ATOM 829 C TYR A 52 -20.176 -15.448 7.063 1.00 0.00 C ATOM 830 O TYR A 52 -20.695 -16.297 7.760 1.00 0.00 O ATOM 831 CB TYR A 52 -21.785 -14.115 5.613 1.00 0.00 C ATOM 832 CG TYR A 52 -22.379 -15.493 5.431 1.00 0.00 C ATOM 833 CD1 TYR A 52 -21.599 -16.518 4.889 1.00 0.00 C ATOM 834 CD2 TYR A 52 -23.705 -15.741 5.803 1.00 0.00 C ATOM 835 CE1 TYR A 52 -22.143 -17.797 4.717 1.00 0.00 C ATOM 836 CE2 TYR A 52 -24.251 -17.020 5.632 1.00 0.00 C ATOM 837 CZ TYR A 52 -23.469 -18.047 5.090 1.00 0.00 C ATOM 838 OH TYR A 52 -24.007 -19.307 4.920 1.00 0.00 O ATOM 0 H TYR A 52 -19.622 -12.969 5.493 1.00 0.00 H new ATOM 0 HA TYR A 52 -21.397 -13.859 7.747 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -22.582 -13.383 5.743 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -21.233 -13.829 4.718 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -20.576 -16.324 4.603 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -24.307 -14.948 6.221 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -21.541 -18.589 4.297 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -25.274 -17.213 5.918 1.00 0.00 H new ATOM 0 HH TYR A 52 -24.937 -19.310 5.230 1.00 0.00 H new ATOM 848 N LEU A 53 -19.026 -15.658 6.483 1.00 0.00 N ATOM 849 CA LEU A 53 -18.324 -16.959 6.671 1.00 0.00 C ATOM 850 C LEU A 53 -17.489 -16.925 7.953 1.00 0.00 C ATOM 851 O LEU A 53 -17.301 -17.928 8.611 1.00 0.00 O ATOM 852 CB LEU A 53 -17.420 -17.103 5.445 1.00 0.00 C ATOM 853 CG LEU A 53 -17.433 -18.556 4.969 1.00 0.00 C ATOM 854 CD1 LEU A 53 -17.371 -18.594 3.442 1.00 0.00 C ATOM 855 CD2 LEU A 53 -16.220 -19.291 5.546 1.00 0.00 C ATOM 0 H LEU A 53 -18.543 -14.986 5.888 1.00 0.00 H new ATOM 0 HA LEU A 53 -19.018 -17.794 6.765 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -17.764 -16.445 4.647 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -16.403 -16.799 5.692 1.00 0.00 H new ATOM 0 HG LEU A 53 -18.349 -19.041 5.307 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -17.380 -19.630 3.103 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -18.233 -18.070 3.030 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -16.455 -18.110 3.103 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -16.228 -20.327 5.208 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -15.305 -18.805 5.207 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -16.263 -19.265 6.635 1.00 0.00 H new ATOM 867 N LEU A 54 -16.991 -15.775 8.313 1.00 0.00 N ATOM 868 CA LEU A 54 -16.172 -15.673 9.554 1.00 0.00 C ATOM 869 C LEU A 54 -17.080 -15.704 10.786 1.00 0.00 C ATOM 870 O LEU A 54 -16.681 -16.125 11.853 1.00 0.00 O ATOM 871 CB LEU A 54 -15.456 -14.326 9.448 1.00 0.00 C ATOM 872 CG LEU A 54 -13.947 -14.538 9.566 1.00 0.00 C ATOM 873 CD1 LEU A 54 -13.214 -13.449 8.782 1.00 0.00 C ATOM 874 CD2 LEU A 54 -13.536 -14.468 11.038 1.00 0.00 C ATOM 0 H LEU A 54 -17.115 -14.901 7.802 1.00 0.00 H new ATOM 0 HA LEU A 54 -15.468 -16.499 9.655 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -15.693 -13.850 8.497 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -15.802 -13.656 10.235 1.00 0.00 H new ATOM 0 HG LEU A 54 -13.686 -15.515 9.160 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -12.138 -13.601 8.867 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -13.506 -13.497 7.733 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -13.475 -12.471 9.187 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -12.460 -14.619 11.123 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -13.798 -13.491 11.443 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -14.057 -15.244 11.598 1.00 0.00 H new ATOM 886 N GLU A 55 -18.299 -15.265 10.643 1.00 0.00 N ATOM 887 CA GLU A 55 -19.235 -15.272 11.803 1.00 0.00 C ATOM 888 C GLU A 55 -19.772 -16.687 12.035 1.00 0.00 C ATOM 889 O GLU A 55 -20.129 -17.054 13.137 1.00 0.00 O ATOM 890 CB GLU A 55 -20.369 -14.327 11.405 1.00 0.00 C ATOM 891 CG GLU A 55 -20.992 -13.719 12.663 1.00 0.00 C ATOM 892 CD GLU A 55 -21.975 -14.717 13.280 1.00 0.00 C ATOM 893 OE1 GLU A 55 -22.940 -15.055 12.614 1.00 0.00 O ATOM 894 OE2 GLU A 55 -21.746 -15.125 14.406 1.00 0.00 O ATOM 0 H GLU A 55 -18.688 -14.901 9.773 1.00 0.00 H new ATOM 0 HA GLU A 55 -18.751 -14.958 12.728 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -19.988 -13.538 10.757 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -21.125 -14.869 10.837 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -20.213 -13.468 13.383 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -21.507 -12.791 12.414 1.00 0.00 H new ATOM 901 N GLN A 56 -19.827 -17.484 11.004 1.00 0.00 N ATOM 902 CA GLN A 56 -20.338 -18.876 11.164 1.00 0.00 C ATOM 903 C GLN A 56 -19.246 -19.772 11.753 1.00 0.00 C ATOM 904 O GLN A 56 -19.521 -20.816 12.312 1.00 0.00 O ATOM 905 CB GLN A 56 -20.700 -19.330 9.749 1.00 0.00 C ATOM 906 CG GLN A 56 -21.303 -20.735 9.802 1.00 0.00 C ATOM 907 CD GLN A 56 -22.814 -20.651 9.581 1.00 0.00 C ATOM 908 OE1 GLN A 56 -23.268 -20.045 8.630 1.00 0.00 O ATOM 909 NE2 GLN A 56 -23.619 -21.239 10.423 1.00 0.00 N ATOM 0 H GLN A 56 -19.541 -17.233 10.058 1.00 0.00 H new ATOM 0 HA GLN A 56 -21.192 -18.929 11.839 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -21.411 -18.634 9.303 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -19.812 -19.327 9.117 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -20.848 -21.366 9.039 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -21.091 -21.197 10.766 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -23.239 -21.748 11.221 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -24.628 -21.190 10.283 1.00 0.00 H new ATOM 918 N ILE A 57 -18.008 -19.374 11.634 1.00 0.00 N ATOM 919 CA ILE A 57 -16.902 -20.202 12.190 1.00 0.00 C ATOM 920 C ILE A 57 -16.614 -19.781 13.638 1.00 0.00 C ATOM 921 O ILE A 57 -16.227 -20.584 14.464 1.00 0.00 O ATOM 922 CB ILE A 57 -15.711 -19.936 11.248 1.00 0.00 C ATOM 923 CG1 ILE A 57 -15.181 -21.272 10.721 1.00 0.00 C ATOM 924 CG2 ILE A 57 -14.587 -19.203 11.979 1.00 0.00 C ATOM 925 CD1 ILE A 57 -14.593 -22.080 11.880 1.00 0.00 C ATOM 0 H ILE A 57 -17.716 -18.511 11.176 1.00 0.00 H new ATOM 0 HA ILE A 57 -17.133 -21.266 12.234 1.00 0.00 H new ATOM 0 HB ILE A 57 -16.053 -19.310 10.424 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -15.985 -21.832 10.244 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -14.419 -21.099 9.961 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -13.759 -19.028 11.292 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -14.957 -18.248 12.352 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -14.241 -19.809 12.816 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -14.215 -23.031 11.506 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -13.777 -21.520 12.337 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -15.367 -22.265 12.625 1.00 0.00 H new ATOM 937 N GLN A 58 -16.804 -18.529 13.948 1.00 0.00 N ATOM 938 CA GLN A 58 -16.547 -18.058 15.339 1.00 0.00 C ATOM 939 C GLN A 58 -17.716 -18.446 16.247 1.00 0.00 C ATOM 940 O GLN A 58 -17.561 -18.606 17.441 1.00 0.00 O ATOM 941 CB GLN A 58 -16.435 -16.536 15.228 1.00 0.00 C ATOM 942 CG GLN A 58 -15.216 -16.056 16.017 1.00 0.00 C ATOM 943 CD GLN A 58 -13.973 -16.815 15.551 1.00 0.00 C ATOM 944 OE1 GLN A 58 -13.559 -17.770 16.178 1.00 0.00 O ATOM 945 NE2 GLN A 58 -13.355 -16.428 14.469 1.00 0.00 N ATOM 0 H GLN A 58 -17.126 -17.811 13.299 1.00 0.00 H new ATOM 0 HA GLN A 58 -15.648 -18.501 15.768 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -16.343 -16.243 14.182 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -17.339 -16.065 15.613 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -15.076 -14.985 15.873 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -15.374 -16.216 17.083 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -13.702 -15.626 13.942 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -12.525 -16.927 14.150 1.00 0.00 H new ATOM 954 N ASN A 59 -18.884 -18.602 15.688 1.00 0.00 N ATOM 955 CA ASN A 59 -20.064 -18.984 16.515 1.00 0.00 C ATOM 956 C ASN A 59 -20.085 -20.498 16.730 1.00 0.00 C ATOM 957 O ASN A 59 -20.586 -20.988 17.723 1.00 0.00 O ATOM 958 CB ASN A 59 -21.278 -18.540 15.699 1.00 0.00 C ATOM 959 CG ASN A 59 -22.305 -17.884 16.624 1.00 0.00 C ATOM 960 OD1 ASN A 59 -21.946 -17.172 17.541 1.00 0.00 O ATOM 961 ND2 ASN A 59 -23.577 -18.097 16.422 1.00 0.00 N ATOM 0 H ASN A 59 -19.073 -18.481 14.693 1.00 0.00 H new ATOM 0 HA ASN A 59 -20.047 -18.522 17.502 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -20.971 -17.838 14.924 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -21.723 -19.397 15.194 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -24.270 -17.666 17.034 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -23.878 -18.695 15.652 1.00 0.00 H new ATOM 968 N LEU A 60 -19.544 -21.242 15.806 1.00 0.00 N ATOM 969 CA LEU A 60 -19.529 -22.726 15.956 1.00 0.00 C ATOM 970 C LEU A 60 -18.463 -23.143 16.971 1.00 0.00 C ATOM 971 O LEU A 60 -18.570 -24.170 17.612 1.00 0.00 O ATOM 972 CB LEU A 60 -19.184 -23.260 14.565 1.00 0.00 C ATOM 973 CG LEU A 60 -20.106 -24.431 14.224 1.00 0.00 C ATOM 974 CD1 LEU A 60 -19.793 -24.935 12.814 1.00 0.00 C ATOM 975 CD2 LEU A 60 -19.883 -25.563 15.230 1.00 0.00 C ATOM 0 H LEU A 60 -19.111 -20.888 14.953 1.00 0.00 H new ATOM 0 HA LEU A 60 -20.481 -23.115 16.318 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -19.294 -22.469 13.823 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -18.143 -23.583 14.536 1.00 0.00 H new ATOM 0 HG LEU A 60 -21.144 -24.101 14.269 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -20.451 -25.770 12.572 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -19.950 -24.129 12.097 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -18.755 -25.265 12.768 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -20.540 -26.399 14.989 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -18.845 -25.892 15.184 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -20.106 -25.205 16.235 1.00 0.00 H new