USER MOD reduce.3.24.130724 H: found=0, std=0, add=348, rem=0, adj=10 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+ -125:sc= -0.0541 (180deg=-0.587) 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= -0.019 X(o=-0.019,f=-0.019) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 149:sc= -0.129 (180deg=-0.857) 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 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 58 GLN : amide:sc= -2.69! C(o=-2.7!,f=-8.1!) USER MOD Single : A 59 ASN : amide:sc= -0.0843 K(o=-0.084,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 236 N ASP A 15 22.938 7.503 1.145 1.00 0.00 N ATOM 237 CA ASP A 15 21.751 7.251 0.277 1.00 0.00 C ATOM 238 C ASP A 15 20.485 7.127 1.129 1.00 0.00 C ATOM 239 O ASP A 15 19.479 7.752 0.858 1.00 0.00 O ATOM 240 CB ASP A 15 22.048 5.933 -0.445 1.00 0.00 C ATOM 241 CG ASP A 15 22.690 4.935 0.525 1.00 0.00 C ATOM 242 OD1 ASP A 15 22.625 5.170 1.720 1.00 0.00 O ATOM 243 OD2 ASP A 15 23.236 3.951 0.054 1.00 0.00 O ATOM 0 HA ASP A 15 21.580 8.066 -0.426 1.00 0.00 H new ATOM 0 HB2 ASP A 15 21.126 5.516 -0.851 1.00 0.00 H new ATOM 0 HB3 ASP A 15 22.715 6.113 -1.288 1.00 0.00 H new ATOM 248 N LYS A 16 20.532 6.324 2.153 1.00 0.00 N ATOM 249 CA LYS A 16 19.336 6.150 3.029 1.00 0.00 C ATOM 250 C LYS A 16 18.063 6.078 2.179 1.00 0.00 C ATOM 251 O LYS A 16 17.725 5.040 1.646 1.00 0.00 O ATOM 252 CB LYS A 16 19.322 7.385 3.932 1.00 0.00 C ATOM 253 CG LYS A 16 20.372 7.224 5.033 1.00 0.00 C ATOM 254 CD LYS A 16 19.948 8.027 6.264 1.00 0.00 C ATOM 255 CE LYS A 16 20.072 9.523 5.967 1.00 0.00 C ATOM 256 NZ LYS A 16 21.534 9.803 6.008 1.00 0.00 N ATOM 0 H LYS A 16 21.349 5.777 2.424 1.00 0.00 H new ATOM 0 HA LYS A 16 19.377 5.228 3.609 1.00 0.00 H new ATOM 0 HB2 LYS A 16 19.529 8.280 3.345 1.00 0.00 H new ATOM 0 HB3 LYS A 16 18.334 7.515 4.373 1.00 0.00 H new ATOM 0 HG2 LYS A 16 20.483 6.171 5.293 1.00 0.00 H new ATOM 0 HG3 LYS A 16 21.343 7.569 4.677 1.00 0.00 H new ATOM 0 HD2 LYS A 16 18.920 7.783 6.534 1.00 0.00 H new ATOM 0 HD3 LYS A 16 20.573 7.762 7.117 1.00 0.00 H new ATOM 0 HE2 LYS A 16 19.650 9.768 4.992 1.00 0.00 H new ATOM 0 HE3 LYS A 16 19.535 10.118 6.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 21.722 10.569 6.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 22.043 8.946 6.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 21.859 10.090 5.063 1.00 0.00 H new ATOM 270 N ALA A 17 17.352 7.166 2.043 1.00 0.00 N ATOM 271 CA ALA A 17 16.109 7.136 1.221 1.00 0.00 C ATOM 272 C ALA A 17 16.406 6.498 -0.135 1.00 0.00 C ATOM 273 O ALA A 17 15.554 5.882 -0.745 1.00 0.00 O ATOM 274 CB ALA A 17 15.704 8.599 1.054 1.00 0.00 C ATOM 0 H ALA A 17 17.577 8.068 2.463 1.00 0.00 H new ATOM 0 HA ALA A 17 15.314 6.552 1.685 1.00 0.00 H new ATOM 0 HB1 ALA A 17 14.794 8.659 0.458 1.00 0.00 H new ATOM 0 HB2 ALA A 17 15.525 9.041 2.034 1.00 0.00 H new ATOM 0 HB3 ALA A 17 16.504 9.143 0.551 1.00 0.00 H new ATOM 280 N LEU A 18 17.613 6.633 -0.606 1.00 0.00 N ATOM 281 CA LEU A 18 17.974 6.025 -1.916 1.00 0.00 C ATOM 282 C LEU A 18 18.300 4.545 -1.718 1.00 0.00 C ATOM 283 O LEU A 18 18.146 3.737 -2.613 1.00 0.00 O ATOM 284 CB LEU A 18 19.210 6.792 -2.384 1.00 0.00 C ATOM 285 CG LEU A 18 19.076 7.120 -3.871 1.00 0.00 C ATOM 286 CD1 LEU A 18 17.763 7.868 -4.113 1.00 0.00 C ATOM 287 CD2 LEU A 18 20.250 7.999 -4.308 1.00 0.00 C ATOM 0 H LEU A 18 18.366 7.139 -0.140 1.00 0.00 H new ATOM 0 HA LEU A 18 17.166 6.085 -2.645 1.00 0.00 H new ATOM 0 HB2 LEU A 18 19.321 7.710 -1.807 1.00 0.00 H new ATOM 0 HB3 LEU A 18 20.107 6.197 -2.212 1.00 0.00 H new ATOM 0 HG LEU A 18 19.079 6.195 -4.448 1.00 0.00 H new ATOM 0 HD11 LEU A 18 17.668 8.102 -5.173 1.00 0.00 H new ATOM 0 HD12 LEU A 18 16.926 7.243 -3.802 1.00 0.00 H new ATOM 0 HD13 LEU A 18 17.759 8.793 -3.536 1.00 0.00 H new ATOM 0 HD21 LEU A 18 20.154 8.233 -5.368 1.00 0.00 H new ATOM 0 HD22 LEU A 18 20.247 8.924 -3.731 1.00 0.00 H new ATOM 0 HD23 LEU A 18 21.186 7.467 -4.137 1.00 0.00 H new ATOM 299 N ALA A 19 18.742 4.182 -0.545 1.00 0.00 N ATOM 300 CA ALA A 19 19.071 2.753 -0.281 1.00 0.00 C ATOM 301 C ALA A 19 17.788 1.965 -0.012 1.00 0.00 C ATOM 302 O ALA A 19 17.720 0.773 -0.241 1.00 0.00 O ATOM 303 CB ALA A 19 19.961 2.772 0.959 1.00 0.00 C ATOM 0 H ALA A 19 18.889 4.814 0.242 1.00 0.00 H new ATOM 0 HA ALA A 19 19.568 2.277 -1.127 1.00 0.00 H new ATOM 0 HB1 ALA A 19 20.246 1.752 1.218 1.00 0.00 H new ATOM 0 HB2 ALA A 19 20.857 3.359 0.755 1.00 0.00 H new ATOM 0 HB3 ALA A 19 19.416 3.219 1.791 1.00 0.00 H new ATOM 309 N VAL A 20 16.766 2.621 0.467 1.00 0.00 N ATOM 310 CA VAL A 20 15.488 1.907 0.743 1.00 0.00 C ATOM 311 C VAL A 20 14.728 1.676 -0.565 1.00 0.00 C ATOM 312 O VAL A 20 13.932 0.765 -0.679 1.00 0.00 O ATOM 313 CB VAL A 20 14.702 2.835 1.670 1.00 0.00 C ATOM 314 CG1 VAL A 20 14.168 4.026 0.871 1.00 0.00 C ATOM 315 CG2 VAL A 20 13.530 2.068 2.284 1.00 0.00 C ATOM 0 H VAL A 20 16.761 3.619 0.679 1.00 0.00 H new ATOM 0 HA VAL A 20 15.648 0.929 1.197 1.00 0.00 H new ATOM 0 HB VAL A 20 15.358 3.195 2.463 1.00 0.00 H new ATOM 0 HG11 VAL A 20 13.608 4.687 1.533 1.00 0.00 H new ATOM 0 HG12 VAL A 20 15.002 4.574 0.433 1.00 0.00 H new ATOM 0 HG13 VAL A 20 13.513 3.667 0.077 1.00 0.00 H new ATOM 0 HG21 VAL A 20 12.969 2.729 2.945 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.875 1.708 1.490 1.00 0.00 H new ATOM 0 HG23 VAL A 20 13.909 1.220 2.855 1.00 0.00 H new ATOM 325 N GLU A 21 14.972 2.491 -1.555 1.00 0.00 N ATOM 326 CA GLU A 21 14.269 2.312 -2.856 1.00 0.00 C ATOM 327 C GLU A 21 14.935 1.193 -3.658 1.00 0.00 C ATOM 328 O GLU A 21 14.364 0.652 -4.584 1.00 0.00 O ATOM 329 CB GLU A 21 14.416 3.653 -3.576 1.00 0.00 C ATOM 330 CG GLU A 21 13.073 4.054 -4.189 1.00 0.00 C ATOM 331 CD GLU A 21 12.242 4.808 -3.150 1.00 0.00 C ATOM 332 OE1 GLU A 21 12.569 4.717 -1.979 1.00 0.00 O ATOM 333 OE2 GLU A 21 11.291 5.464 -3.544 1.00 0.00 O ATOM 0 H GLU A 21 15.627 3.272 -1.519 1.00 0.00 H new ATOM 0 HA GLU A 21 13.222 2.035 -2.729 1.00 0.00 H new ATOM 0 HB2 GLU A 21 14.751 4.419 -2.876 1.00 0.00 H new ATOM 0 HB3 GLU A 21 15.175 3.578 -4.355 1.00 0.00 H new ATOM 0 HG2 GLU A 21 13.234 4.681 -5.066 1.00 0.00 H new ATOM 0 HG3 GLU A 21 12.536 3.167 -4.526 1.00 0.00 H new ATOM 340 N GLN A 22 16.140 0.838 -3.304 1.00 0.00 N ATOM 341 CA GLN A 22 16.842 -0.253 -4.040 1.00 0.00 C ATOM 342 C GLN A 22 16.415 -1.609 -3.480 1.00 0.00 C ATOM 343 O GLN A 22 16.202 -2.558 -4.210 1.00 0.00 O ATOM 344 CB GLN A 22 18.332 -0.015 -3.790 1.00 0.00 C ATOM 345 CG GLN A 22 19.143 -0.586 -4.955 1.00 0.00 C ATOM 346 CD GLN A 22 20.451 -1.176 -4.425 1.00 0.00 C ATOM 347 OE1 GLN A 22 20.749 -2.331 -4.659 1.00 0.00 O ATOM 348 NE2 GLN A 22 21.251 -0.427 -3.717 1.00 0.00 N ATOM 0 H GLN A 22 16.669 1.255 -2.538 1.00 0.00 H new ATOM 0 HA GLN A 22 16.609 -0.253 -5.105 1.00 0.00 H new ATOM 0 HB2 GLN A 22 18.528 1.052 -3.685 1.00 0.00 H new ATOM 0 HB3 GLN A 22 18.635 -0.488 -2.856 1.00 0.00 H new ATOM 0 HG2 GLN A 22 18.567 -1.355 -5.470 1.00 0.00 H new ATOM 0 HG3 GLN A 22 19.354 0.197 -5.684 1.00 0.00 H new ATOM 0 HE21 GLN A 22 21.001 0.542 -3.520 1.00 0.00 H new ATOM 0 HE22 GLN A 22 22.126 -0.811 -3.360 1.00 0.00 H new ATOM 357 N PHE A 23 16.284 -1.702 -2.188 1.00 0.00 N ATOM 358 CA PHE A 23 15.864 -2.991 -1.571 1.00 0.00 C ATOM 359 C PHE A 23 14.367 -3.214 -1.794 1.00 0.00 C ATOM 360 O PHE A 23 13.878 -4.325 -1.732 1.00 0.00 O ATOM 361 CB PHE A 23 16.169 -2.835 -0.080 1.00 0.00 C ATOM 362 CG PHE A 23 17.589 -3.270 0.192 1.00 0.00 C ATOM 363 CD1 PHE A 23 18.643 -2.364 0.022 1.00 0.00 C ATOM 364 CD2 PHE A 23 17.851 -4.579 0.614 1.00 0.00 C ATOM 365 CE1 PHE A 23 19.960 -2.768 0.275 1.00 0.00 C ATOM 366 CE2 PHE A 23 19.168 -4.982 0.866 1.00 0.00 C ATOM 367 CZ PHE A 23 20.223 -4.077 0.696 1.00 0.00 C ATOM 0 H PHE A 23 16.450 -0.940 -1.530 1.00 0.00 H new ATOM 0 HA PHE A 23 16.382 -3.847 -2.003 1.00 0.00 H new ATOM 0 HB2 PHE A 23 16.031 -1.797 0.224 1.00 0.00 H new ATOM 0 HB3 PHE A 23 15.475 -3.435 0.509 1.00 0.00 H new ATOM 0 HD1 PHE A 23 18.441 -1.354 -0.304 1.00 0.00 H new ATOM 0 HD2 PHE A 23 17.038 -5.277 0.745 1.00 0.00 H new ATOM 0 HE1 PHE A 23 20.773 -2.069 0.145 1.00 0.00 H new ATOM 0 HE2 PHE A 23 19.370 -5.992 1.192 1.00 0.00 H new ATOM 0 HZ PHE A 23 21.239 -4.389 0.890 1.00 0.00 H new ATOM 377 N ILE A 24 13.634 -2.165 -2.054 1.00 0.00 N ATOM 378 CA ILE A 24 12.170 -2.317 -2.284 1.00 0.00 C ATOM 379 C ILE A 24 11.886 -2.477 -3.780 1.00 0.00 C ATOM 380 O ILE A 24 10.970 -3.169 -4.178 1.00 0.00 O ATOM 381 CB ILE A 24 11.549 -1.024 -1.755 1.00 0.00 C ATOM 382 CG1 ILE A 24 11.612 -1.017 -0.227 1.00 0.00 C ATOM 383 CG2 ILE A 24 10.090 -0.936 -2.204 1.00 0.00 C ATOM 384 CD1 ILE A 24 10.617 -2.036 0.331 1.00 0.00 C ATOM 0 H ILE A 24 13.986 -1.210 -2.117 1.00 0.00 H new ATOM 0 HA ILE A 24 11.762 -3.197 -1.787 1.00 0.00 H new ATOM 0 HB ILE A 24 12.101 -0.170 -2.147 1.00 0.00 H new ATOM 0 HG12 ILE A 24 12.621 -1.258 0.107 1.00 0.00 H new ATOM 0 HG13 ILE A 24 11.380 -0.022 0.152 1.00 0.00 H new ATOM 0 HG21 ILE A 24 9.648 -0.014 -1.826 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.043 -0.941 -3.293 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.537 -1.790 -1.813 1.00 0.00 H new ATOM 0 HD11 ILE A 24 10.663 -2.030 1.420 1.00 0.00 H new ATOM 0 HD12 ILE A 24 9.609 -1.775 0.009 1.00 0.00 H new ATOM 0 HD13 ILE A 24 10.869 -3.030 -0.038 1.00 0.00 H new ATOM 396 N SER A 25 12.668 -1.844 -4.612 1.00 0.00 N ATOM 397 CA SER A 25 12.445 -1.960 -6.082 1.00 0.00 C ATOM 398 C SER A 25 12.652 -3.409 -6.533 1.00 0.00 C ATOM 399 O SER A 25 12.122 -3.838 -7.538 1.00 0.00 O ATOM 400 CB SER A 25 13.493 -1.047 -6.715 1.00 0.00 C ATOM 401 OG SER A 25 13.292 -1.008 -8.122 1.00 0.00 O ATOM 0 H SER A 25 13.452 -1.252 -4.338 1.00 0.00 H new ATOM 0 HA SER A 25 11.432 -1.678 -6.371 1.00 0.00 H new ATOM 0 HB2 SER A 25 13.418 -0.043 -6.297 1.00 0.00 H new ATOM 0 HB3 SER A 25 14.495 -1.412 -6.489 1.00 0.00 H new ATOM 0 HG SER A 25 13.962 -0.422 -8.532 1.00 0.00 H new ATOM 407 N ARG A 26 13.418 -4.166 -5.796 1.00 0.00 N ATOM 408 CA ARG A 26 13.658 -5.585 -6.183 1.00 0.00 C ATOM 409 C ARG A 26 12.693 -6.508 -5.434 1.00 0.00 C ATOM 410 O ARG A 26 12.339 -7.569 -5.908 1.00 0.00 O ATOM 411 CB ARG A 26 15.103 -5.870 -5.770 1.00 0.00 C ATOM 412 CG ARG A 26 15.750 -6.810 -6.790 1.00 0.00 C ATOM 413 CD ARG A 26 16.807 -6.045 -7.590 1.00 0.00 C ATOM 414 NE ARG A 26 17.423 -7.064 -8.484 1.00 0.00 N ATOM 415 CZ ARG A 26 17.293 -6.961 -9.778 1.00 0.00 C ATOM 416 NH1 ARG A 26 17.329 -5.787 -10.346 1.00 0.00 N ATOM 417 NH2 ARG A 26 17.127 -8.033 -10.505 1.00 0.00 N ATOM 0 H ARG A 26 13.888 -3.863 -4.943 1.00 0.00 H new ATOM 0 HA ARG A 26 13.498 -5.755 -7.248 1.00 0.00 H new ATOM 0 HB2 ARG A 26 15.666 -4.938 -5.710 1.00 0.00 H new ATOM 0 HB3 ARG A 26 15.127 -6.321 -4.778 1.00 0.00 H new ATOM 0 HG2 ARG A 26 16.208 -7.658 -6.280 1.00 0.00 H new ATOM 0 HG3 ARG A 26 14.992 -7.213 -7.461 1.00 0.00 H new ATOM 0 HD2 ARG A 26 16.358 -5.235 -8.165 1.00 0.00 H new ATOM 0 HD3 ARG A 26 17.551 -5.595 -6.933 1.00 0.00 H new ATOM 0 HE ARG A 26 17.947 -7.843 -8.085 1.00 0.00 H new ATOM 0 HH11 ARG A 26 17.459 -4.950 -9.778 1.00 0.00 H new ATOM 0 HH12 ARG A 26 17.227 -5.707 -11.358 1.00 0.00 H new ATOM 0 HH21 ARG A 26 17.099 -8.951 -10.061 1.00 0.00 H new ATOM 0 HH22 ARG A 26 17.025 -7.952 -11.517 1.00 0.00 H new ATOM 431 N PHE A 27 12.266 -6.111 -4.268 1.00 0.00 N ATOM 432 CA PHE A 27 11.324 -6.966 -3.488 1.00 0.00 C ATOM 433 C PHE A 27 9.877 -6.561 -3.783 1.00 0.00 C ATOM 434 O PHE A 27 8.972 -7.369 -3.726 1.00 0.00 O ATOM 435 CB PHE A 27 11.668 -6.699 -2.022 1.00 0.00 C ATOM 436 CG PHE A 27 12.206 -7.948 -1.398 1.00 0.00 C ATOM 437 CD1 PHE A 27 13.572 -8.202 -1.433 1.00 0.00 C ATOM 438 CD2 PHE A 27 11.334 -8.845 -0.788 1.00 0.00 C ATOM 439 CE1 PHE A 27 14.081 -9.369 -0.850 1.00 0.00 C ATOM 440 CE2 PHE A 27 11.833 -10.014 -0.203 1.00 0.00 C ATOM 441 CZ PHE A 27 13.209 -10.277 -0.234 1.00 0.00 C ATOM 0 H PHE A 27 12.527 -5.233 -3.820 1.00 0.00 H new ATOM 0 HA PHE A 27 11.417 -8.022 -3.742 1.00 0.00 H new ATOM 0 HB2 PHE A 27 12.404 -5.898 -1.951 1.00 0.00 H new ATOM 0 HB3 PHE A 27 10.781 -6.365 -1.485 1.00 0.00 H new ATOM 0 HD1 PHE A 27 14.240 -7.500 -1.909 1.00 0.00 H new ATOM 0 HD2 PHE A 27 10.274 -8.639 -0.766 1.00 0.00 H new ATOM 0 HE1 PHE A 27 15.142 -9.569 -0.875 1.00 0.00 H new ATOM 0 HE2 PHE A 27 11.159 -10.712 0.271 1.00 0.00 H new ATOM 0 HZ PHE A 27 13.597 -11.179 0.216 1.00 0.00 H new ATOM 451 N ASN A 28 9.654 -5.316 -4.098 1.00 0.00 N ATOM 452 CA ASN A 28 8.266 -4.858 -4.397 1.00 0.00 C ATOM 453 C ASN A 28 7.845 -5.316 -5.795 1.00 0.00 C ATOM 454 O ASN A 28 7.108 -6.269 -5.951 1.00 0.00 O ATOM 455 CB ASN A 28 8.327 -3.333 -4.326 1.00 0.00 C ATOM 456 CG ASN A 28 6.955 -2.750 -4.673 1.00 0.00 C ATOM 457 OD1 ASN A 28 6.829 -1.974 -5.598 1.00 0.00 O ATOM 458 ND2 ASN A 28 5.916 -3.095 -3.964 1.00 0.00 N ATOM 0 H ASN A 28 10.372 -4.594 -4.162 1.00 0.00 H new ATOM 0 HA ASN A 28 7.537 -5.269 -3.698 1.00 0.00 H new ATOM 0 HB2 ASN A 28 8.626 -3.017 -3.327 1.00 0.00 H new ATOM 0 HB3 ASN A 28 9.080 -2.956 -5.018 1.00 0.00 H new ATOM 0 HD21 ASN A 28 4.997 -2.713 -4.187 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.023 -3.747 -3.187 1.00 0.00 H new ATOM 465 N SER A 29 8.308 -4.642 -6.810 1.00 0.00 N ATOM 466 CA SER A 29 7.937 -5.032 -8.202 1.00 0.00 C ATOM 467 C SER A 29 7.969 -6.556 -8.352 1.00 0.00 C ATOM 468 O SER A 29 7.187 -7.132 -9.082 1.00 0.00 O ATOM 469 CB SER A 29 8.998 -4.384 -9.090 1.00 0.00 C ATOM 470 OG SER A 29 8.652 -4.583 -10.455 1.00 0.00 O ATOM 0 H SER A 29 8.929 -3.836 -6.737 1.00 0.00 H new ATOM 0 HA SER A 29 6.930 -4.709 -8.467 1.00 0.00 H new ATOM 0 HB2 SER A 29 9.070 -3.318 -8.872 1.00 0.00 H new ATOM 0 HB3 SER A 29 9.976 -4.818 -8.884 1.00 0.00 H new ATOM 0 HG SER A 29 9.330 -4.167 -11.028 1.00 0.00 H new ATOM 476 N GLY A 30 8.865 -7.212 -7.668 1.00 0.00 N ATOM 477 CA GLY A 30 8.940 -8.697 -7.775 1.00 0.00 C ATOM 478 C GLY A 30 7.762 -9.315 -7.039 1.00 0.00 C ATOM 479 O GLY A 30 7.201 -10.308 -7.458 1.00 0.00 O ATOM 0 H GLY A 30 9.547 -6.786 -7.041 1.00 0.00 H new ATOM 0 HA2 GLY A 30 8.928 -8.999 -8.822 1.00 0.00 H new ATOM 0 HA3 GLY A 30 9.878 -9.057 -7.351 1.00 0.00 H new ATOM 483 N TYR A 31 7.370 -8.724 -5.951 1.00 0.00 N ATOM 484 CA TYR A 31 6.213 -9.258 -5.190 1.00 0.00 C ATOM 485 C TYR A 31 4.911 -8.917 -5.923 1.00 0.00 C ATOM 486 O TYR A 31 3.829 -9.191 -5.444 1.00 0.00 O ATOM 487 CB TYR A 31 6.275 -8.548 -3.839 1.00 0.00 C ATOM 488 CG TYR A 31 5.329 -9.219 -2.876 1.00 0.00 C ATOM 489 CD1 TYR A 31 5.445 -10.589 -2.626 1.00 0.00 C ATOM 490 CD2 TYR A 31 4.336 -8.471 -2.232 1.00 0.00 C ATOM 491 CE1 TYR A 31 4.569 -11.216 -1.732 1.00 0.00 C ATOM 492 CE2 TYR A 31 3.459 -9.096 -1.338 1.00 0.00 C ATOM 493 CZ TYR A 31 3.575 -10.469 -1.088 1.00 0.00 C ATOM 494 OH TYR A 31 2.711 -11.085 -0.206 1.00 0.00 O ATOM 0 H TYR A 31 7.803 -7.890 -5.554 1.00 0.00 H new ATOM 0 HA TYR A 31 6.243 -10.342 -5.080 1.00 0.00 H new ATOM 0 HB2 TYR A 31 7.292 -8.577 -3.447 1.00 0.00 H new ATOM 0 HB3 TYR A 31 6.008 -7.498 -3.955 1.00 0.00 H new ATOM 0 HD1 TYR A 31 6.212 -11.165 -3.123 1.00 0.00 H new ATOM 0 HD2 TYR A 31 4.247 -7.412 -2.425 1.00 0.00 H new ATOM 0 HE1 TYR A 31 4.660 -12.275 -1.539 1.00 0.00 H new ATOM 0 HE2 TYR A 31 2.693 -8.519 -0.841 1.00 0.00 H new ATOM 0 HH TYR A 31 2.084 -10.423 0.153 1.00 0.00 H new ATOM 504 N ILE A 32 5.008 -8.321 -7.084 1.00 0.00 N ATOM 505 CA ILE A 32 3.774 -7.965 -7.842 1.00 0.00 C ATOM 506 C ILE A 32 3.114 -9.230 -8.396 1.00 0.00 C ATOM 507 O ILE A 32 1.913 -9.293 -8.564 1.00 0.00 O ATOM 508 CB ILE A 32 4.252 -7.063 -8.979 1.00 0.00 C ATOM 509 CG1 ILE A 32 4.567 -5.671 -8.427 1.00 0.00 C ATOM 510 CG2 ILE A 32 3.157 -6.953 -10.042 1.00 0.00 C ATOM 511 CD1 ILE A 32 3.355 -5.142 -7.655 1.00 0.00 C ATOM 0 H ILE A 32 5.886 -8.067 -7.537 1.00 0.00 H new ATOM 0 HA ILE A 32 3.032 -7.468 -7.217 1.00 0.00 H new ATOM 0 HB ILE A 32 5.150 -7.490 -9.426 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.437 -5.716 -7.772 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.817 -4.992 -9.243 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.500 -6.309 -10.852 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.932 -7.944 -10.436 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.258 -6.527 -9.596 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.579 -4.150 -7.261 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.496 -5.082 -8.323 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.126 -5.817 -6.830 1.00 0.00 H new ATOM 523 N LYS A 33 3.892 -10.238 -8.676 1.00 0.00 N ATOM 524 CA LYS A 33 3.309 -11.501 -9.216 1.00 0.00 C ATOM 525 C LYS A 33 2.420 -12.161 -8.159 1.00 0.00 C ATOM 526 O LYS A 33 1.554 -12.954 -8.468 1.00 0.00 O ATOM 527 CB LYS A 33 4.512 -12.389 -9.538 1.00 0.00 C ATOM 528 CG LYS A 33 4.172 -13.303 -10.715 1.00 0.00 C ATOM 529 CD LYS A 33 3.961 -12.458 -11.973 1.00 0.00 C ATOM 530 CE LYS A 33 2.594 -12.779 -12.582 1.00 0.00 C ATOM 531 NZ LYS A 33 1.879 -11.473 -12.633 1.00 0.00 N ATOM 0 H LYS A 33 4.905 -10.244 -8.555 1.00 0.00 H new ATOM 0 HA LYS A 33 2.687 -11.329 -10.094 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.378 -11.773 -9.781 1.00 0.00 H new ATOM 0 HB3 LYS A 33 4.780 -12.986 -8.666 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.977 -14.020 -10.877 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.272 -13.878 -10.495 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.021 -11.398 -11.726 1.00 0.00 H new ATOM 0 HD3 LYS A 33 4.750 -12.662 -12.697 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.697 -13.212 -13.577 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.051 -13.503 -11.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 1.229 -11.464 -13.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 1.338 -11.339 -11.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.570 -10.703 -12.734 1.00 0.00 H new ATOM 545 N ALA A 34 2.630 -11.836 -6.912 1.00 0.00 N ATOM 546 CA ALA A 34 1.798 -12.440 -5.832 1.00 0.00 C ATOM 547 C ALA A 34 1.048 -11.344 -5.072 1.00 0.00 C ATOM 548 O ALA A 34 -0.035 -11.558 -4.563 1.00 0.00 O ATOM 549 CB ALA A 34 2.794 -13.147 -4.914 1.00 0.00 C ATOM 0 H ALA A 34 3.342 -11.178 -6.594 1.00 0.00 H new ATOM 0 HA ALA A 34 1.047 -13.127 -6.221 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.258 -13.619 -4.090 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.333 -13.907 -5.479 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.502 -12.420 -4.517 1.00 0.00 H new ATOM 555 N SER A 35 1.614 -10.173 -4.993 1.00 0.00 N ATOM 556 CA SER A 35 0.931 -9.063 -4.268 1.00 0.00 C ATOM 557 C SER A 35 -0.428 -8.780 -4.909 1.00 0.00 C ATOM 558 O SER A 35 -1.413 -8.564 -4.233 1.00 0.00 O ATOM 559 CB SER A 35 1.858 -7.859 -4.417 1.00 0.00 C ATOM 560 OG SER A 35 1.283 -6.738 -3.758 1.00 0.00 O ATOM 0 H SER A 35 2.519 -9.935 -5.398 1.00 0.00 H new ATOM 0 HA SER A 35 0.747 -9.303 -3.221 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.836 -8.084 -3.991 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.014 -7.634 -5.472 1.00 0.00 H new ATOM 0 HG SER A 35 1.877 -5.964 -3.851 1.00 0.00 H new ATOM 566 N GLN A 36 -0.486 -8.791 -6.210 1.00 0.00 N ATOM 567 CA GLN A 36 -1.785 -8.535 -6.898 1.00 0.00 C ATOM 568 C GLN A 36 -2.757 -9.667 -6.579 1.00 0.00 C ATOM 569 O GLN A 36 -3.896 -9.446 -6.217 1.00 0.00 O ATOM 570 CB GLN A 36 -1.455 -8.517 -8.391 1.00 0.00 C ATOM 571 CG GLN A 36 -2.604 -7.862 -9.159 1.00 0.00 C ATOM 572 CD GLN A 36 -2.338 -7.965 -10.662 1.00 0.00 C ATOM 573 OE1 GLN A 36 -3.132 -8.521 -11.396 1.00 0.00 O ATOM 574 NE2 GLN A 36 -1.246 -7.448 -11.156 1.00 0.00 N ATOM 0 H GLN A 36 0.307 -8.966 -6.828 1.00 0.00 H new ATOM 0 HA GLN A 36 -2.250 -7.602 -6.581 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -0.529 -7.968 -8.563 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.295 -9.533 -8.751 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -3.546 -8.351 -8.911 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -2.701 -6.816 -8.867 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -0.579 -6.981 -10.541 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -1.059 -7.511 -12.157 1.00 0.00 H new ATOM 583 N GLU A 37 -2.306 -10.881 -6.708 1.00 0.00 N ATOM 584 CA GLU A 37 -3.188 -12.044 -6.409 1.00 0.00 C ATOM 585 C GLU A 37 -3.691 -11.961 -4.967 1.00 0.00 C ATOM 586 O GLU A 37 -4.783 -12.393 -4.654 1.00 0.00 O ATOM 587 CB GLU A 37 -2.296 -13.273 -6.599 1.00 0.00 C ATOM 588 CG GLU A 37 -2.031 -13.486 -8.091 1.00 0.00 C ATOM 589 CD GLU A 37 -0.858 -14.451 -8.268 1.00 0.00 C ATOM 590 OE1 GLU A 37 -0.676 -15.296 -7.408 1.00 0.00 O ATOM 591 OE2 GLU A 37 -0.161 -14.328 -9.263 1.00 0.00 O ATOM 0 H GLU A 37 -1.361 -11.120 -7.009 1.00 0.00 H new ATOM 0 HA GLU A 37 -4.068 -12.077 -7.052 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.354 -13.138 -6.067 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.778 -14.154 -6.175 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.921 -13.886 -8.576 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -1.808 -12.533 -8.571 1.00 0.00 H new ATOM 598 N LEU A 38 -2.906 -11.404 -4.088 1.00 0.00 N ATOM 599 CA LEU A 38 -3.342 -11.287 -2.668 1.00 0.00 C ATOM 600 C LEU A 38 -4.464 -10.254 -2.553 1.00 0.00 C ATOM 601 O LEU A 38 -5.314 -10.336 -1.688 1.00 0.00 O ATOM 602 CB LEU A 38 -2.101 -10.820 -1.907 1.00 0.00 C ATOM 603 CG LEU A 38 -1.402 -12.027 -1.279 1.00 0.00 C ATOM 604 CD1 LEU A 38 -2.240 -12.553 -0.113 1.00 0.00 C ATOM 605 CD2 LEU A 38 -1.245 -13.128 -2.330 1.00 0.00 C ATOM 0 H LEU A 38 -1.981 -11.025 -4.291 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.728 -12.226 -2.272 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.420 -10.303 -2.583 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.383 -10.107 -1.133 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.419 -11.728 -0.914 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.742 -13.413 0.334 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.354 -11.769 0.636 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.223 -12.852 -0.477 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.747 -13.989 -1.884 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.228 -13.426 -2.694 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.648 -12.754 -3.162 1.00 0.00 H new ATOM 617 N VAL A 39 -4.474 -9.283 -3.424 1.00 0.00 N ATOM 618 CA VAL A 39 -5.541 -8.245 -3.373 1.00 0.00 C ATOM 619 C VAL A 39 -6.883 -8.851 -3.790 1.00 0.00 C ATOM 620 O VAL A 39 -7.935 -8.340 -3.461 1.00 0.00 O ATOM 621 CB VAL A 39 -5.101 -7.173 -4.369 1.00 0.00 C ATOM 622 CG1 VAL A 39 -6.281 -6.254 -4.687 1.00 0.00 C ATOM 623 CG2 VAL A 39 -3.964 -6.350 -3.762 1.00 0.00 C ATOM 0 H VAL A 39 -3.788 -9.164 -4.170 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.674 -7.836 -2.371 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.756 -7.650 -5.286 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.966 -5.490 -5.397 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.092 -6.840 -5.120 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.628 -5.776 -3.771 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.649 -5.585 -4.472 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.309 -5.874 -2.844 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.122 -7.004 -3.536 1.00 0.00 H new ATOM 633 N SER A 40 -6.856 -9.936 -4.513 1.00 0.00 N ATOM 634 CA SER A 40 -8.133 -10.572 -4.945 1.00 0.00 C ATOM 635 C SER A 40 -8.799 -11.266 -3.756 1.00 0.00 C ATOM 636 O SER A 40 -10.002 -11.428 -3.712 1.00 0.00 O ATOM 637 CB SER A 40 -7.731 -11.591 -6.010 1.00 0.00 C ATOM 638 OG SER A 40 -8.748 -11.659 -7.002 1.00 0.00 O ATOM 0 H SER A 40 -6.007 -10.409 -4.823 1.00 0.00 H new ATOM 0 HA SER A 40 -8.848 -9.846 -5.332 1.00 0.00 H new ATOM 0 HB2 SER A 40 -6.782 -11.305 -6.464 1.00 0.00 H new ATOM 0 HB3 SER A 40 -7.584 -12.571 -5.555 1.00 0.00 H new ATOM 0 HG SER A 40 -8.493 -12.311 -7.688 1.00 0.00 H new ATOM 644 N TYR A 41 -8.025 -11.673 -2.787 1.00 0.00 N ATOM 645 CA TYR A 41 -8.615 -12.349 -1.598 1.00 0.00 C ATOM 646 C TYR A 41 -9.247 -11.309 -0.670 1.00 0.00 C ATOM 647 O TYR A 41 -10.140 -11.604 0.097 1.00 0.00 O ATOM 648 CB TYR A 41 -7.439 -13.042 -0.909 1.00 0.00 C ATOM 649 CG TYR A 41 -7.923 -14.296 -0.223 1.00 0.00 C ATOM 650 CD1 TYR A 41 -8.505 -14.218 1.048 1.00 0.00 C ATOM 651 CD2 TYR A 41 -7.791 -15.537 -0.858 1.00 0.00 C ATOM 652 CE1 TYR A 41 -8.954 -15.381 1.685 1.00 0.00 C ATOM 653 CE2 TYR A 41 -8.242 -16.700 -0.221 1.00 0.00 C ATOM 654 CZ TYR A 41 -8.823 -16.622 1.050 1.00 0.00 C ATOM 655 OH TYR A 41 -9.266 -17.769 1.677 1.00 0.00 O ATOM 0 H TYR A 41 -7.011 -11.567 -2.768 1.00 0.00 H new ATOM 0 HA TYR A 41 -9.398 -13.057 -1.867 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -6.670 -13.289 -1.641 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -6.983 -12.370 -0.182 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -8.608 -13.261 1.537 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -7.342 -15.597 -1.838 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -9.401 -15.321 2.666 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -8.141 -17.657 -0.711 1.00 0.00 H new ATOM 0 HH TYR A 41 -9.101 -18.543 1.099 1.00 0.00 H new ATOM 665 N THR A 42 -8.786 -10.090 -0.740 1.00 0.00 N ATOM 666 CA THR A 42 -9.355 -9.024 0.134 1.00 0.00 C ATOM 667 C THR A 42 -10.440 -8.249 -0.618 1.00 0.00 C ATOM 668 O THR A 42 -11.477 -7.924 -0.075 1.00 0.00 O ATOM 669 CB THR A 42 -8.163 -8.119 0.478 1.00 0.00 C ATOM 670 OG1 THR A 42 -8.414 -7.459 1.711 1.00 0.00 O ATOM 671 CG2 THR A 42 -7.945 -7.077 -0.624 1.00 0.00 C ATOM 0 H THR A 42 -8.039 -9.786 -1.365 1.00 0.00 H new ATOM 0 HA THR A 42 -9.827 -9.424 1.031 1.00 0.00 H new ATOM 0 HB THR A 42 -7.266 -8.733 0.561 1.00 0.00 H new ATOM 0 HG1 THR A 42 -7.654 -6.882 1.934 1.00 0.00 H new ATOM 0 HG21 THR A 42 -7.096 -6.444 -0.364 1.00 0.00 H new ATOM 0 HG22 THR A 42 -7.744 -7.583 -1.568 1.00 0.00 H new ATOM 0 HG23 THR A 42 -8.839 -6.462 -0.725 1.00 0.00 H new ATOM 679 N ILE A 43 -10.204 -7.953 -1.863 1.00 0.00 N ATOM 680 CA ILE A 43 -11.216 -7.197 -2.657 1.00 0.00 C ATOM 681 C ILE A 43 -12.614 -7.758 -2.394 1.00 0.00 C ATOM 682 O ILE A 43 -13.566 -7.027 -2.203 1.00 0.00 O ATOM 683 CB ILE A 43 -10.803 -7.402 -4.120 1.00 0.00 C ATOM 684 CG1 ILE A 43 -11.389 -6.277 -4.975 1.00 0.00 C ATOM 685 CG2 ILE A 43 -11.317 -8.752 -4.634 1.00 0.00 C ATOM 686 CD1 ILE A 43 -11.116 -6.562 -6.453 1.00 0.00 C ATOM 0 H ILE A 43 -9.354 -8.201 -2.368 1.00 0.00 H new ATOM 0 HA ILE A 43 -11.251 -6.140 -2.395 1.00 0.00 H new ATOM 0 HB ILE A 43 -9.715 -7.389 -4.186 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -12.462 -6.196 -4.802 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -10.947 -5.322 -4.690 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -11.017 -8.884 -5.673 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -10.896 -9.556 -4.030 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -12.404 -8.778 -4.565 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -11.534 -5.760 -7.061 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -10.040 -6.621 -6.620 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -11.579 -7.508 -6.733 1.00 0.00 H new ATOM 698 N LYS A 44 -12.740 -9.053 -2.383 1.00 0.00 N ATOM 699 CA LYS A 44 -14.071 -9.676 -2.133 1.00 0.00 C ATOM 700 C LYS A 44 -14.270 -9.907 -0.635 1.00 0.00 C ATOM 701 O LYS A 44 -15.067 -10.724 -0.219 1.00 0.00 O ATOM 702 CB LYS A 44 -14.032 -11.007 -2.878 1.00 0.00 C ATOM 703 CG LYS A 44 -15.192 -11.071 -3.874 1.00 0.00 C ATOM 704 CD LYS A 44 -16.172 -12.166 -3.447 1.00 0.00 C ATOM 705 CE LYS A 44 -17.108 -12.498 -4.612 1.00 0.00 C ATOM 706 NZ LYS A 44 -18.251 -13.222 -3.991 1.00 0.00 N ATOM 0 H LYS A 44 -11.976 -9.712 -2.537 1.00 0.00 H new ATOM 0 HA LYS A 44 -14.893 -9.045 -2.471 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -13.083 -11.114 -3.403 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -14.100 -11.834 -2.171 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -15.702 -10.109 -3.917 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -14.814 -11.277 -4.876 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -15.626 -13.058 -3.140 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -16.751 -11.834 -2.585 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -17.442 -11.594 -5.120 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -16.607 -13.116 -5.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -18.937 -13.484 -4.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -17.903 -14.082 -3.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -18.712 -12.607 -3.291 1.00 0.00 H new ATOM 779 N PRO A 49 -17.982 -2.906 3.632 1.00 0.00 N ATOM 780 CA PRO A 49 -18.987 -2.935 4.723 1.00 0.00 C ATOM 781 C PRO A 49 -20.351 -2.477 4.204 1.00 0.00 C ATOM 782 O PRO A 49 -21.382 -2.964 4.620 1.00 0.00 O ATOM 783 CB PRO A 49 -18.433 -1.946 5.745 1.00 0.00 C ATOM 784 CG PRO A 49 -17.562 -1.023 4.953 1.00 0.00 C ATOM 785 CD PRO A 49 -17.015 -1.821 3.799 1.00 0.00 C ATOM 0 HA PRO A 49 -19.140 -3.930 5.140 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -19.235 -1.402 6.244 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -17.864 -2.457 6.522 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -18.133 -0.166 4.594 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -16.753 -0.631 5.570 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -16.935 -1.215 2.897 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -16.018 -2.204 4.015 1.00 0.00 H new ATOM 793 N ILE A 50 -20.360 -1.543 3.296 1.00 0.00 N ATOM 794 CA ILE A 50 -21.656 -1.052 2.745 1.00 0.00 C ATOM 795 C ILE A 50 -22.401 -2.194 2.053 1.00 0.00 C ATOM 796 O ILE A 50 -23.611 -2.286 2.111 1.00 0.00 O ATOM 797 CB ILE A 50 -21.273 0.032 1.736 1.00 0.00 C ATOM 798 CG1 ILE A 50 -20.858 1.300 2.485 1.00 0.00 C ATOM 799 CG2 ILE A 50 -22.473 0.340 0.838 1.00 0.00 C ATOM 800 CD1 ILE A 50 -19.363 1.549 2.278 1.00 0.00 C ATOM 0 H ILE A 50 -19.527 -1.097 2.911 1.00 0.00 H new ATOM 0 HA ILE A 50 -22.317 -0.668 3.522 1.00 0.00 H new ATOM 0 HB ILE A 50 -20.442 -0.318 1.124 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -21.433 2.153 2.124 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -21.076 1.195 3.548 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -22.201 1.112 0.119 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -22.770 -0.563 0.305 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -23.304 0.691 1.449 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -19.067 2.452 2.812 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -18.796 0.700 2.660 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -19.159 1.672 1.214 1.00 0.00 H new ATOM 812 N GLU A 51 -21.686 -3.066 1.404 1.00 0.00 N ATOM 813 CA GLU A 51 -22.349 -4.207 0.711 1.00 0.00 C ATOM 814 C GLU A 51 -22.697 -5.301 1.724 1.00 0.00 C ATOM 815 O GLU A 51 -23.551 -6.132 1.487 1.00 0.00 O ATOM 816 CB GLU A 51 -21.316 -4.716 -0.296 1.00 0.00 C ATOM 817 CG GLU A 51 -22.007 -5.018 -1.627 1.00 0.00 C ATOM 818 CD GLU A 51 -21.064 -5.826 -2.520 1.00 0.00 C ATOM 819 OE1 GLU A 51 -20.717 -6.930 -2.136 1.00 0.00 O ATOM 820 OE2 GLU A 51 -20.706 -5.327 -3.575 1.00 0.00 O ATOM 0 H GLU A 51 -20.670 -3.040 1.322 1.00 0.00 H new ATOM 0 HA GLU A 51 -23.279 -3.914 0.223 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -20.535 -3.970 -0.441 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -20.831 -5.614 0.086 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -22.927 -5.576 -1.453 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -22.287 -4.088 -2.123 1.00 0.00 H new ATOM 827 N TYR A 52 -22.042 -5.304 2.852 1.00 0.00 N ATOM 828 CA TYR A 52 -22.333 -6.341 3.882 1.00 0.00 C ATOM 829 C TYR A 52 -23.420 -5.847 4.842 1.00 0.00 C ATOM 830 O TYR A 52 -24.129 -6.628 5.443 1.00 0.00 O ATOM 831 CB TYR A 52 -21.012 -6.542 4.625 1.00 0.00 C ATOM 832 CG TYR A 52 -20.612 -7.997 4.557 1.00 0.00 C ATOM 833 CD1 TYR A 52 -20.378 -8.601 3.316 1.00 0.00 C ATOM 834 CD2 TYR A 52 -20.475 -8.742 5.735 1.00 0.00 C ATOM 835 CE1 TYR A 52 -20.007 -9.950 3.253 1.00 0.00 C ATOM 836 CE2 TYR A 52 -20.105 -10.090 5.671 1.00 0.00 C ATOM 837 CZ TYR A 52 -19.871 -10.694 4.430 1.00 0.00 C ATOM 838 OH TYR A 52 -19.505 -12.024 4.368 1.00 0.00 O ATOM 0 H TYR A 52 -21.317 -4.633 3.105 1.00 0.00 H new ATOM 0 HA TYR A 52 -22.699 -7.268 3.441 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -20.235 -5.919 4.182 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -21.116 -6.231 5.664 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -20.484 -8.027 2.407 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -20.655 -8.276 6.693 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -19.826 -10.416 2.296 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -20.000 -10.665 6.579 1.00 0.00 H new ATOM 0 HH TYR A 52 -19.455 -12.392 5.275 1.00 0.00 H new ATOM 848 N LEU A 53 -23.556 -4.558 4.990 1.00 0.00 N ATOM 849 CA LEU A 53 -24.598 -4.022 5.912 1.00 0.00 C ATOM 850 C LEU A 53 -25.989 -4.231 5.312 1.00 0.00 C ATOM 851 O LEU A 53 -26.952 -4.471 6.014 1.00 0.00 O ATOM 852 CB LEU A 53 -24.287 -2.531 6.040 1.00 0.00 C ATOM 853 CG LEU A 53 -24.592 -2.067 7.465 1.00 0.00 C ATOM 854 CD1 LEU A 53 -23.817 -0.782 7.761 1.00 0.00 C ATOM 855 CD2 LEU A 53 -26.093 -1.798 7.602 1.00 0.00 C ATOM 0 H LEU A 53 -22.992 -3.854 4.514 1.00 0.00 H new ATOM 0 HA LEU A 53 -24.590 -4.523 6.880 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -23.240 -2.345 5.802 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -24.882 -1.962 5.326 1.00 0.00 H new ATOM 0 HG LEU A 53 -24.294 -2.842 8.171 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -24.035 -0.452 8.777 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -22.748 -0.971 7.662 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -24.115 -0.007 7.055 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -26.312 -1.467 8.617 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -26.390 -1.023 6.896 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -26.647 -2.712 7.391 1.00 0.00 H new ATOM 867 N LEU A 54 -26.100 -4.146 4.015 1.00 0.00 N ATOM 868 CA LEU A 54 -27.428 -4.342 3.366 1.00 0.00 C ATOM 869 C LEU A 54 -27.833 -5.815 3.433 1.00 0.00 C ATOM 870 O LEU A 54 -29.001 -6.147 3.489 1.00 0.00 O ATOM 871 CB LEU A 54 -27.229 -3.904 1.915 1.00 0.00 C ATOM 872 CG LEU A 54 -28.151 -2.723 1.606 1.00 0.00 C ATOM 873 CD1 LEU A 54 -27.312 -1.467 1.368 1.00 0.00 C ATOM 874 CD2 LEU A 54 -28.971 -3.033 0.352 1.00 0.00 C ATOM 0 H LEU A 54 -25.329 -3.949 3.376 1.00 0.00 H new ATOM 0 HA LEU A 54 -28.217 -3.773 3.857 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -26.190 -3.620 1.749 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -27.445 -4.733 1.241 1.00 0.00 H new ATOM 0 HG LEU A 54 -28.822 -2.556 2.449 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -27.970 -0.626 1.148 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -26.727 -1.246 2.261 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -26.640 -1.632 0.526 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -29.629 -2.192 0.130 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -28.299 -3.200 -0.490 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -29.570 -3.928 0.521 1.00 0.00 H new ATOM 886 N GLU A 55 -26.877 -6.702 3.432 1.00 0.00 N ATOM 887 CA GLU A 55 -27.206 -8.153 3.501 1.00 0.00 C ATOM 888 C GLU A 55 -27.696 -8.512 4.905 1.00 0.00 C ATOM 889 O GLU A 55 -28.511 -9.394 5.083 1.00 0.00 O ATOM 890 CB GLU A 55 -25.895 -8.875 3.186 1.00 0.00 C ATOM 891 CG GLU A 55 -26.199 -10.237 2.560 1.00 0.00 C ATOM 892 CD GLU A 55 -24.913 -11.064 2.488 1.00 0.00 C ATOM 893 OE1 GLU A 55 -24.086 -10.915 3.372 1.00 0.00 O ATOM 894 OE2 GLU A 55 -24.779 -11.831 1.549 1.00 0.00 O ATOM 0 H GLU A 55 -25.882 -6.484 3.386 1.00 0.00 H new ATOM 0 HA GLU A 55 -27.998 -8.432 2.806 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -25.293 -8.276 2.503 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -25.311 -9.004 4.097 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -26.949 -10.762 3.152 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -26.616 -10.105 1.561 1.00 0.00 H new ATOM 901 N GLN A 56 -27.204 -7.830 5.902 1.00 0.00 N ATOM 902 CA GLN A 56 -27.643 -8.127 7.295 1.00 0.00 C ATOM 903 C GLN A 56 -29.104 -7.711 7.482 1.00 0.00 C ATOM 904 O GLN A 56 -29.823 -8.271 8.286 1.00 0.00 O ATOM 905 CB GLN A 56 -26.726 -7.289 8.188 1.00 0.00 C ATOM 906 CG GLN A 56 -27.209 -7.373 9.638 1.00 0.00 C ATOM 907 CD GLN A 56 -26.083 -6.936 10.577 1.00 0.00 C ATOM 908 OE1 GLN A 56 -25.443 -5.928 10.349 1.00 0.00 O ATOM 909 NE2 GLN A 56 -25.811 -7.657 11.630 1.00 0.00 N ATOM 0 H GLN A 56 -26.518 -7.081 5.813 1.00 0.00 H new ATOM 0 HA GLN A 56 -27.580 -9.189 7.533 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -25.700 -7.650 8.114 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -26.724 -6.252 7.854 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -28.082 -6.736 9.779 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -27.517 -8.392 9.872 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -26.348 -8.503 11.822 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -25.061 -7.375 12.262 1.00 0.00 H new ATOM 918 N ILE A 57 -29.549 -6.735 6.740 1.00 0.00 N ATOM 919 CA ILE A 57 -30.962 -6.285 6.866 1.00 0.00 C ATOM 920 C ILE A 57 -31.865 -7.176 6.001 1.00 0.00 C ATOM 921 O ILE A 57 -33.037 -7.344 6.275 1.00 0.00 O ATOM 922 CB ILE A 57 -30.945 -4.820 6.393 1.00 0.00 C ATOM 923 CG1 ILE A 57 -31.578 -3.936 7.470 1.00 0.00 C ATOM 924 CG2 ILE A 57 -31.727 -4.657 5.089 1.00 0.00 C ATOM 925 CD1 ILE A 57 -32.908 -4.547 7.915 1.00 0.00 C ATOM 0 H ILE A 57 -28.993 -6.229 6.051 1.00 0.00 H new ATOM 0 HA ILE A 57 -31.357 -6.358 7.879 1.00 0.00 H new ATOM 0 HB ILE A 57 -29.910 -4.525 6.218 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -30.905 -3.844 8.322 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -31.739 -2.930 7.082 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -31.700 -3.613 4.776 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -31.278 -5.279 4.315 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -32.762 -4.962 5.245 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -33.359 -3.918 8.682 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -33.581 -4.616 7.060 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -32.733 -5.544 8.320 1.00 0.00 H new ATOM 937 N GLN A 58 -31.322 -7.749 4.962 1.00 0.00 N ATOM 938 CA GLN A 58 -32.139 -8.631 4.082 1.00 0.00 C ATOM 939 C GLN A 58 -32.310 -10.006 4.733 1.00 0.00 C ATOM 940 O GLN A 58 -33.272 -10.707 4.486 1.00 0.00 O ATOM 941 CB GLN A 58 -31.336 -8.747 2.786 1.00 0.00 C ATOM 942 CG GLN A 58 -32.253 -8.489 1.590 1.00 0.00 C ATOM 943 CD GLN A 58 -33.173 -9.694 1.382 1.00 0.00 C ATOM 944 OE1 GLN A 58 -33.153 -10.630 2.156 1.00 0.00 O ATOM 945 NE2 GLN A 58 -33.986 -9.709 0.360 1.00 0.00 N ATOM 0 H GLN A 58 -30.346 -7.644 4.684 1.00 0.00 H new ATOM 0 HA GLN A 58 -33.139 -8.234 3.907 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -30.515 -8.030 2.789 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -30.892 -9.739 2.709 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -32.846 -7.590 1.760 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -31.658 -8.313 0.694 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -34.003 -8.923 -0.290 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -34.604 -10.507 0.212 1.00 0.00 H new ATOM 954 N ASN A 59 -31.383 -10.394 5.564 1.00 0.00 N ATOM 955 CA ASN A 59 -31.487 -11.722 6.234 1.00 0.00 C ATOM 956 C ASN A 59 -32.322 -11.603 7.511 1.00 0.00 C ATOM 957 O ASN A 59 -33.048 -12.506 7.877 1.00 0.00 O ATOM 958 CB ASN A 59 -30.046 -12.109 6.569 1.00 0.00 C ATOM 959 CG ASN A 59 -29.877 -13.622 6.424 1.00 0.00 C ATOM 960 OD1 ASN A 59 -30.844 -14.358 6.437 1.00 0.00 O ATOM 961 ND2 ASN A 59 -28.680 -14.121 6.284 1.00 0.00 N ATOM 0 H ASN A 59 -30.557 -9.849 5.809 1.00 0.00 H new ATOM 0 HA ASN A 59 -31.973 -12.467 5.604 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -29.355 -11.590 5.905 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -29.803 -11.801 7.586 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -28.556 -15.129 6.185 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -27.868 -13.504 6.273 1.00 0.00 H new ATOM 968 N LEU A 60 -32.223 -10.495 8.188 1.00 0.00 N ATOM 969 CA LEU A 60 -33.009 -10.311 9.442 1.00 0.00 C ATOM 970 C LEU A 60 -34.476 -10.033 9.108 1.00 0.00 C ATOM 971 O LEU A 60 -35.363 -10.294 9.897 1.00 0.00 O ATOM 972 CB LEU A 60 -32.376 -9.101 10.131 1.00 0.00 C ATOM 973 CG LEU A 60 -32.148 -9.418 11.610 1.00 0.00 C ATOM 974 CD1 LEU A 60 -33.498 -9.590 12.309 1.00 0.00 C ATOM 975 CD2 LEU A 60 -31.340 -10.710 11.735 1.00 0.00 C ATOM 0 H LEU A 60 -31.631 -9.706 7.928 1.00 0.00 H new ATOM 0 HA LEU A 60 -32.990 -11.197 10.077 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -31.430 -8.850 9.652 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -33.025 -8.231 10.030 1.00 0.00 H new ATOM 0 HG LEU A 60 -31.600 -8.600 12.077 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -33.336 -9.816 13.363 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -34.074 -8.669 12.220 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -34.047 -10.408 11.843 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -31.177 -10.937 12.789 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -31.888 -11.528 11.268 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -30.378 -10.587 11.237 1.00 0.00 H new