USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 590 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 ASN : amide:sc= -0.254 K(o=-0.1,f=-2.5!) USER MOD Set 1.2: A 69 SER OG : rot -4:sc= 0.151 USER MOD Single : A 19 MET CE :methyl -161:sc= -1.47 (180deg=-1.54!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0134) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot 30:sc= -0.783 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -114:sc= 0.514 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN :FLIP amide:sc= -2.4! C(o=-4.3!,f=-2.4!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -1.04 K(o=-1,f=-1.9) USER MOD Single : A 74 GLN :FLIP amide:sc= -2.35 F(o=-3.1,f=-2.4) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.156) USER MOD Single : A 78 CYS SG : rot -128:sc= -1.06 USER MOD Single : A 81 LYS NZ :NH3+ 155:sc= -0.239 (180deg=-1.18!) USER MOD Single : A 82 TYR OH : rot -15:sc= -0.238 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 228 N MET A 19 12.645 -7.081 3.823 1.00 0.00 N ATOM 229 CA MET A 19 12.417 -6.242 2.651 1.00 0.00 C ATOM 230 C MET A 19 12.557 -4.764 3.002 1.00 0.00 C ATOM 231 O MET A 19 13.136 -3.988 2.243 1.00 0.00 O ATOM 232 CB MET A 19 11.028 -6.511 2.070 1.00 0.00 C ATOM 233 CG MET A 19 10.949 -7.785 1.246 1.00 0.00 C ATOM 234 SD MET A 19 11.004 -7.471 -0.528 1.00 0.00 S ATOM 235 CE MET A 19 9.439 -8.171 -1.046 1.00 0.00 C ATOM 0 HA MET A 19 13.171 -6.491 1.905 1.00 0.00 H new ATOM 0 HB2 MET A 19 10.308 -6.571 2.886 1.00 0.00 H new ATOM 0 HB3 MET A 19 10.734 -5.666 1.447 1.00 0.00 H new ATOM 0 HG2 MET A 19 11.774 -8.442 1.520 1.00 0.00 H new ATOM 0 HG3 MET A 19 10.027 -8.313 1.489 1.00 0.00 H new ATOM 0 HE1 MET A 19 9.464 -8.364 -2.119 1.00 0.00 H new ATOM 0 HE2 MET A 19 9.265 -9.106 -0.513 1.00 0.00 H new ATOM 0 HE3 MET A 19 8.635 -7.470 -0.822 1.00 0.00 H new ATOM 245 N LEU A 20 12.025 -4.384 4.159 1.00 0.00 N ATOM 246 CA LEU A 20 12.093 -2.999 4.612 1.00 0.00 C ATOM 247 C LEU A 20 13.462 -2.689 5.208 1.00 0.00 C ATOM 248 O LEU A 20 13.944 -1.560 5.128 1.00 0.00 O ATOM 249 CB LEU A 20 10.999 -2.725 5.646 1.00 0.00 C ATOM 250 CG LEU A 20 9.567 -2.888 5.133 1.00 0.00 C ATOM 251 CD1 LEU A 20 8.587 -2.946 6.295 1.00 0.00 C ATOM 252 CD2 LEU A 20 9.209 -1.752 4.187 1.00 0.00 C ATOM 0 H LEU A 20 11.543 -5.015 4.799 1.00 0.00 H new ATOM 0 HA LEU A 20 11.938 -2.352 3.749 1.00 0.00 H new ATOM 0 HB2 LEU A 20 11.144 -3.396 6.492 1.00 0.00 H new ATOM 0 HB3 LEU A 20 11.121 -1.709 6.021 1.00 0.00 H new ATOM 0 HG LEU A 20 9.502 -3.827 4.583 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.574 -3.062 5.911 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.832 -3.793 6.935 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.653 -2.024 6.873 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.187 -1.883 3.831 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.291 -0.801 4.713 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.892 -1.757 3.338 1.00 0.00 H new ATOM 264 N THR A 21 14.084 -3.701 5.805 1.00 0.00 N ATOM 265 CA THR A 21 15.398 -3.536 6.415 1.00 0.00 C ATOM 266 C THR A 21 16.474 -3.356 5.348 1.00 0.00 C ATOM 267 O THR A 21 17.308 -2.456 5.439 1.00 0.00 O ATOM 268 CB THR A 21 15.731 -4.744 7.292 1.00 0.00 C ATOM 269 OG1 THR A 21 14.715 -4.959 8.255 1.00 0.00 O ATOM 270 CG2 THR A 21 17.044 -4.602 8.034 1.00 0.00 C ATOM 0 H THR A 21 13.699 -4.643 5.879 1.00 0.00 H new ATOM 0 HA THR A 21 15.373 -2.640 7.036 1.00 0.00 H new ATOM 0 HB THR A 21 15.810 -5.587 6.605 1.00 0.00 H new ATOM 0 HG1 THR A 21 14.945 -5.737 8.805 1.00 0.00 H new ATOM 0 HG21 THR A 21 17.219 -5.493 8.637 1.00 0.00 H new ATOM 0 HG22 THR A 21 17.856 -4.484 7.317 1.00 0.00 H new ATOM 0 HG23 THR A 21 17.002 -3.727 8.683 1.00 0.00 H new ATOM 278 N SER A 22 16.448 -4.219 4.338 1.00 0.00 N ATOM 279 CA SER A 22 17.420 -4.156 3.253 1.00 0.00 C ATOM 280 C SER A 22 17.339 -2.815 2.529 1.00 0.00 C ATOM 281 O SER A 22 18.312 -2.062 2.483 1.00 0.00 O ATOM 282 CB SER A 22 17.188 -5.300 2.263 1.00 0.00 C ATOM 283 OG SER A 22 18.134 -6.338 2.455 1.00 0.00 O ATOM 0 H SER A 22 15.764 -4.970 4.248 1.00 0.00 H new ATOM 0 HA SER A 22 18.416 -4.257 3.684 1.00 0.00 H new ATOM 0 HB2 SER A 22 16.180 -5.695 2.388 1.00 0.00 H new ATOM 0 HB3 SER A 22 17.259 -4.923 1.243 1.00 0.00 H new ATOM 0 HG SER A 22 17.964 -7.058 1.812 1.00 0.00 H new ATOM 289 N LEU A 23 16.171 -2.523 1.964 1.00 0.00 N ATOM 290 CA LEU A 23 15.962 -1.274 1.243 1.00 0.00 C ATOM 291 C LEU A 23 16.134 -0.074 2.170 1.00 0.00 C ATOM 292 O LEU A 23 16.545 1.003 1.737 1.00 0.00 O ATOM 293 CB LEU A 23 14.567 -1.250 0.615 1.00 0.00 C ATOM 294 CG LEU A 23 14.244 -2.441 -0.289 1.00 0.00 C ATOM 295 CD1 LEU A 23 12.740 -2.650 -0.381 1.00 0.00 C ATOM 296 CD2 LEU A 23 14.840 -2.234 -1.673 1.00 0.00 C ATOM 0 H LEU A 23 15.356 -3.135 1.992 1.00 0.00 H new ATOM 0 HA LEU A 23 16.711 -1.211 0.453 1.00 0.00 H new ATOM 0 HB2 LEU A 23 13.826 -1.208 1.414 1.00 0.00 H new ATOM 0 HB3 LEU A 23 14.462 -0.334 0.034 1.00 0.00 H new ATOM 0 HG LEU A 23 14.688 -3.336 0.148 1.00 0.00 H new ATOM 0 HD11 LEU A 23 12.530 -3.501 -1.028 1.00 0.00 H new ATOM 0 HD12 LEU A 23 12.338 -2.842 0.614 1.00 0.00 H new ATOM 0 HD13 LEU A 23 12.273 -1.756 -0.794 1.00 0.00 H new ATOM 0 HD21 LEU A 23 14.601 -3.090 -2.304 1.00 0.00 H new ATOM 0 HD22 LEU A 23 14.424 -1.329 -2.117 1.00 0.00 H new ATOM 0 HD23 LEU A 23 15.922 -2.134 -1.592 1.00 0.00 H new ATOM 308 N GLY A 24 15.819 -0.269 3.447 1.00 0.00 N ATOM 309 CA GLY A 24 15.946 0.805 4.414 1.00 0.00 C ATOM 310 C GLY A 24 14.654 1.578 4.595 1.00 0.00 C ATOM 311 O GLY A 24 14.674 2.771 4.900 1.00 0.00 O ATOM 0 H GLY A 24 15.478 -1.151 3.829 1.00 0.00 H new ATOM 0 HA2 GLY A 24 16.256 0.391 5.374 1.00 0.00 H new ATOM 0 HA3 GLY A 24 16.732 1.488 4.093 1.00 0.00 H new ATOM 315 N LEU A 25 13.529 0.898 4.404 1.00 0.00 N ATOM 316 CA LEU A 25 12.222 1.528 4.546 1.00 0.00 C ATOM 317 C LEU A 25 11.697 1.380 5.971 1.00 0.00 C ATOM 318 O LEU A 25 12.213 0.582 6.754 1.00 0.00 O ATOM 319 CB LEU A 25 11.227 0.915 3.559 1.00 0.00 C ATOM 320 CG LEU A 25 11.530 1.188 2.084 1.00 0.00 C ATOM 321 CD1 LEU A 25 10.834 0.166 1.198 1.00 0.00 C ATOM 322 CD2 LEU A 25 11.109 2.601 1.708 1.00 0.00 C ATOM 0 H LEU A 25 13.496 -0.089 4.150 1.00 0.00 H new ATOM 0 HA LEU A 25 12.334 2.590 4.328 1.00 0.00 H new ATOM 0 HB2 LEU A 25 11.200 -0.163 3.716 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.231 1.295 3.787 1.00 0.00 H new ATOM 0 HG LEU A 25 12.605 1.098 1.929 1.00 0.00 H new ATOM 0 HD11 LEU A 25 11.061 0.376 0.153 1.00 0.00 H new ATOM 0 HD12 LEU A 25 11.185 -0.834 1.452 1.00 0.00 H new ATOM 0 HD13 LEU A 25 9.757 0.223 1.354 1.00 0.00 H new ATOM 0 HD21 LEU A 25 11.331 2.779 0.656 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.039 2.719 1.878 1.00 0.00 H new ATOM 0 HD23 LEU A 25 11.655 3.318 2.321 1.00 0.00 H new ATOM 334 N LYS A 26 10.668 2.154 6.300 1.00 0.00 N ATOM 335 CA LYS A 26 10.073 2.109 7.631 1.00 0.00 C ATOM 336 C LYS A 26 8.612 2.544 7.587 1.00 0.00 C ATOM 337 O LYS A 26 8.244 3.443 6.831 1.00 0.00 O ATOM 338 CB LYS A 26 10.854 3.004 8.593 1.00 0.00 C ATOM 339 CG LYS A 26 12.245 2.483 8.916 1.00 0.00 C ATOM 340 CD LYS A 26 13.004 3.440 9.822 1.00 0.00 C ATOM 341 CE LYS A 26 14.493 3.433 9.516 1.00 0.00 C ATOM 342 NZ LYS A 26 15.216 4.501 10.257 1.00 0.00 N ATOM 0 H LYS A 26 10.229 2.820 5.664 1.00 0.00 H new ATOM 0 HA LYS A 26 10.118 1.080 7.987 1.00 0.00 H new ATOM 0 HB2 LYS A 26 10.940 4.001 8.160 1.00 0.00 H new ATOM 0 HB3 LYS A 26 10.289 3.107 9.520 1.00 0.00 H new ATOM 0 HG2 LYS A 26 12.166 1.509 9.399 1.00 0.00 H new ATOM 0 HG3 LYS A 26 12.803 2.336 7.991 1.00 0.00 H new ATOM 0 HD2 LYS A 26 12.611 4.449 9.698 1.00 0.00 H new ATOM 0 HD3 LYS A 26 12.844 3.161 10.863 1.00 0.00 H new ATOM 0 HE2 LYS A 26 14.913 2.462 9.777 1.00 0.00 H new ATOM 0 HE3 LYS A 26 14.644 3.568 8.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 16.228 4.463 10.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 14.833 5.430 9.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 15.093 4.358 11.280 1.00 0.00 H new ATOM 356 N LEU A 27 7.782 1.900 8.403 1.00 0.00 N ATOM 357 CA LEU A 27 6.361 2.220 8.457 1.00 0.00 C ATOM 358 C LEU A 27 6.145 3.675 8.859 1.00 0.00 C ATOM 359 O LEU A 27 6.701 4.144 9.852 1.00 0.00 O ATOM 360 CB LEU A 27 5.645 1.295 9.443 1.00 0.00 C ATOM 361 CG LEU A 27 5.305 -0.094 8.898 1.00 0.00 C ATOM 362 CD1 LEU A 27 5.283 -1.117 10.024 1.00 0.00 C ATOM 363 CD2 LEU A 27 3.969 -0.069 8.172 1.00 0.00 C ATOM 0 H LEU A 27 8.070 1.154 9.036 1.00 0.00 H new ATOM 0 HA LEU A 27 5.943 2.071 7.461 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.271 1.178 10.328 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.723 1.778 9.766 1.00 0.00 H new ATOM 0 HG LEU A 27 6.077 -0.384 8.186 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.040 -2.099 9.619 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.262 -1.154 10.501 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.531 -0.832 10.760 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.743 -1.065 7.791 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.185 0.242 8.863 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.020 0.634 7.341 1.00 0.00 H new ATOM 375 N GLY A 28 5.335 4.386 8.079 1.00 0.00 N ATOM 376 CA GLY A 28 5.061 5.781 8.370 1.00 0.00 C ATOM 377 C GLY A 28 5.893 6.725 7.525 1.00 0.00 C ATOM 378 O GLY A 28 5.458 7.832 7.208 1.00 0.00 O ATOM 0 H GLY A 28 4.864 4.020 7.251 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.003 5.983 8.200 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.257 5.974 9.425 1.00 0.00 H new ATOM 382 N ASP A 29 7.092 6.285 7.159 1.00 0.00 N ATOM 383 CA ASP A 29 7.988 7.098 6.344 1.00 0.00 C ATOM 384 C ASP A 29 7.450 7.245 4.924 1.00 0.00 C ATOM 385 O ASP A 29 6.410 6.682 4.583 1.00 0.00 O ATOM 386 CB ASP A 29 9.385 6.477 6.310 1.00 0.00 C ATOM 387 CG ASP A 29 10.276 6.998 7.421 1.00 0.00 C ATOM 388 OD1 ASP A 29 10.129 8.181 7.794 1.00 0.00 O ATOM 389 OD2 ASP A 29 11.121 6.223 7.917 1.00 0.00 O ATOM 0 H ASP A 29 7.466 5.371 7.413 1.00 0.00 H new ATOM 0 HA ASP A 29 8.049 8.089 6.795 1.00 0.00 H new ATOM 0 HB2 ASP A 29 9.300 5.394 6.394 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.850 6.687 5.347 1.00 0.00 H new ATOM 394 N ARG A 30 8.166 8.004 4.101 1.00 0.00 N ATOM 395 CA ARG A 30 7.760 8.224 2.718 1.00 0.00 C ATOM 396 C ARG A 30 8.368 7.169 1.799 1.00 0.00 C ATOM 397 O ARG A 30 9.529 6.790 1.956 1.00 0.00 O ATOM 398 CB ARG A 30 8.178 9.621 2.257 1.00 0.00 C ATOM 399 CG ARG A 30 7.132 10.690 2.533 1.00 0.00 C ATOM 400 CD ARG A 30 6.028 10.676 1.487 1.00 0.00 C ATOM 401 NE ARG A 30 6.025 11.894 0.678 1.00 0.00 N ATOM 402 CZ ARG A 30 5.013 12.261 -0.105 1.00 0.00 C ATOM 403 NH1 ARG A 30 3.923 11.509 -0.188 1.00 0.00 N ATOM 404 NH2 ARG A 30 5.093 13.383 -0.806 1.00 0.00 N ATOM 0 H ARG A 30 9.030 8.477 4.368 1.00 0.00 H new ATOM 0 HA ARG A 30 6.674 8.143 2.667 1.00 0.00 H new ATOM 0 HB2 ARG A 30 9.107 9.896 2.755 1.00 0.00 H new ATOM 0 HB3 ARG A 30 8.386 9.595 1.187 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.700 10.531 3.521 1.00 0.00 H new ATOM 0 HG3 ARG A 30 7.608 11.670 2.547 1.00 0.00 H new ATOM 0 HD2 ARG A 30 6.155 9.810 0.838 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.062 10.566 1.980 1.00 0.00 H new ATOM 0 HE ARG A 30 6.846 12.498 0.716 1.00 0.00 H new ATOM 0 HH11 ARG A 30 3.857 10.645 0.350 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.151 11.795 -0.790 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.929 13.964 -0.745 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.318 13.666 -1.406 1.00 0.00 H new ATOM 418 N VAL A 31 7.577 6.699 0.840 1.00 0.00 N ATOM 419 CA VAL A 31 8.039 5.689 -0.105 1.00 0.00 C ATOM 420 C VAL A 31 7.792 6.127 -1.544 1.00 0.00 C ATOM 421 O VAL A 31 7.249 7.204 -1.792 1.00 0.00 O ATOM 422 CB VAL A 31 7.343 4.335 0.135 1.00 0.00 C ATOM 423 CG1 VAL A 31 7.721 3.773 1.496 1.00 0.00 C ATOM 424 CG2 VAL A 31 5.833 4.479 0.008 1.00 0.00 C ATOM 0 H VAL A 31 6.613 7.001 0.697 1.00 0.00 H new ATOM 0 HA VAL A 31 9.111 5.572 0.057 1.00 0.00 H new ATOM 0 HB VAL A 31 7.682 3.634 -0.627 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.220 2.817 1.647 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.800 3.628 1.543 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.414 4.470 2.276 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.360 3.513 0.181 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.473 5.197 0.745 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.584 4.831 -0.993 1.00 0.00 H new ATOM 434 N VAL A 32 8.194 5.285 -2.490 1.00 0.00 N ATOM 435 CA VAL A 32 8.015 5.585 -3.906 1.00 0.00 C ATOM 436 C VAL A 32 7.790 4.311 -4.714 1.00 0.00 C ATOM 437 O VAL A 32 8.662 3.445 -4.782 1.00 0.00 O ATOM 438 CB VAL A 32 9.234 6.339 -4.477 1.00 0.00 C ATOM 439 CG1 VAL A 32 10.492 5.491 -4.364 1.00 0.00 C ATOM 440 CG2 VAL A 32 8.984 6.746 -5.922 1.00 0.00 C ATOM 0 H VAL A 32 8.646 4.390 -2.302 1.00 0.00 H new ATOM 0 HA VAL A 32 7.134 6.221 -3.988 1.00 0.00 H new ATOM 0 HB VAL A 32 9.382 7.245 -3.889 1.00 0.00 H new ATOM 0 HG11 VAL A 32 11.340 6.041 -4.772 1.00 0.00 H new ATOM 0 HG12 VAL A 32 10.681 5.258 -3.316 1.00 0.00 H new ATOM 0 HG13 VAL A 32 10.358 4.565 -4.923 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.855 7.276 -6.307 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.806 5.856 -6.525 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.112 7.398 -5.971 1.00 0.00 H new ATOM 450 N ILE A 33 6.614 4.202 -5.323 1.00 0.00 N ATOM 451 CA ILE A 33 6.274 3.033 -6.126 1.00 0.00 C ATOM 452 C ILE A 33 6.969 3.081 -7.484 1.00 0.00 C ATOM 453 O ILE A 33 6.775 4.016 -8.259 1.00 0.00 O ATOM 454 CB ILE A 33 4.751 2.924 -6.345 1.00 0.00 C ATOM 455 CG1 ILE A 33 4.010 3.040 -5.011 1.00 0.00 C ATOM 456 CG2 ILE A 33 4.408 1.612 -7.035 1.00 0.00 C ATOM 457 CD1 ILE A 33 2.674 3.741 -5.122 1.00 0.00 C ATOM 0 H ILE A 33 5.880 4.909 -5.276 1.00 0.00 H new ATOM 0 HA ILE A 33 6.617 2.158 -5.574 1.00 0.00 H new ATOM 0 HB ILE A 33 4.432 3.745 -6.987 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.855 2.041 -4.603 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.637 3.580 -4.302 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.330 1.550 -7.183 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.910 1.567 -8.002 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.738 0.778 -6.416 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.205 3.787 -4.139 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.824 4.752 -5.501 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.029 3.189 -5.806 1.00 0.00 H new ATOM 469 N ALA A 34 7.780 2.065 -7.763 1.00 0.00 N ATOM 470 CA ALA A 34 8.504 1.991 -9.025 1.00 0.00 C ATOM 471 C ALA A 34 9.423 3.195 -9.205 1.00 0.00 C ATOM 472 O ALA A 34 9.731 3.590 -10.330 1.00 0.00 O ATOM 473 CB ALA A 34 7.528 1.891 -10.188 1.00 0.00 C ATOM 0 H ALA A 34 7.951 1.282 -7.132 1.00 0.00 H new ATOM 0 HA ALA A 34 9.124 1.095 -9.006 1.00 0.00 H new ATOM 0 HB1 ALA A 34 8.083 1.836 -11.125 1.00 0.00 H new ATOM 0 HB2 ALA A 34 6.918 0.995 -10.075 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.883 2.770 -10.199 1.00 0.00 H new ATOM 479 N GLY A 35 9.860 3.774 -8.090 1.00 0.00 N ATOM 480 CA GLY A 35 10.741 4.926 -8.147 1.00 0.00 C ATOM 481 C GLY A 35 10.153 6.071 -8.950 1.00 0.00 C ATOM 482 O GLY A 35 10.884 6.823 -9.595 1.00 0.00 O ATOM 0 H GLY A 35 9.619 3.465 -7.148 1.00 0.00 H new ATOM 0 HA2 GLY A 35 10.952 5.268 -7.134 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.693 4.629 -8.588 1.00 0.00 H new ATOM 486 N GLN A 36 8.832 6.205 -8.909 1.00 0.00 N ATOM 487 CA GLN A 36 8.150 7.268 -9.639 1.00 0.00 C ATOM 488 C GLN A 36 7.006 7.849 -8.814 1.00 0.00 C ATOM 489 O GLN A 36 7.046 9.010 -8.410 1.00 0.00 O ATOM 490 CB GLN A 36 7.618 6.738 -10.973 1.00 0.00 C ATOM 491 CG GLN A 36 8.564 6.968 -12.139 1.00 0.00 C ATOM 492 CD GLN A 36 7.868 7.561 -13.349 1.00 0.00 C ATOM 493 OE1 GLN A 36 7.805 8.781 -13.507 1.00 0.00 O ATOM 494 NE2 GLN A 36 7.339 6.701 -14.210 1.00 0.00 N ATOM 0 H GLN A 36 8.213 5.592 -8.379 1.00 0.00 H new ATOM 0 HA GLN A 36 8.871 8.062 -9.833 1.00 0.00 H new ATOM 0 HB2 GLN A 36 7.424 5.670 -10.879 1.00 0.00 H new ATOM 0 HB3 GLN A 36 6.663 7.217 -11.190 1.00 0.00 H new ATOM 0 HG2 GLN A 36 9.367 7.634 -11.824 1.00 0.00 H new ATOM 0 HG3 GLN A 36 9.026 6.021 -12.419 1.00 0.00 H new ATOM 0 HE21 GLN A 36 7.414 5.698 -14.040 1.00 0.00 H new ATOM 0 HE22 GLN A 36 6.857 7.043 -15.041 1.00 0.00 H new ATOM 503 N LYS A 37 5.986 7.032 -8.568 1.00 0.00 N ATOM 504 CA LYS A 37 4.830 7.466 -7.792 1.00 0.00 C ATOM 505 C LYS A 37 5.212 7.712 -6.336 1.00 0.00 C ATOM 506 O LYS A 37 5.791 6.845 -5.681 1.00 0.00 O ATOM 507 CB LYS A 37 3.715 6.421 -7.869 1.00 0.00 C ATOM 508 CG LYS A 37 2.763 6.632 -9.037 1.00 0.00 C ATOM 509 CD LYS A 37 1.320 6.739 -8.570 1.00 0.00 C ATOM 510 CE LYS A 37 0.346 6.378 -9.681 1.00 0.00 C ATOM 511 NZ LYS A 37 0.491 7.277 -10.859 1.00 0.00 N ATOM 0 H LYS A 37 5.937 6.067 -8.895 1.00 0.00 H new ATOM 0 HA LYS A 37 4.470 8.403 -8.218 1.00 0.00 H new ATOM 0 HB2 LYS A 37 4.162 5.430 -7.950 1.00 0.00 H new ATOM 0 HB3 LYS A 37 3.146 6.439 -6.939 1.00 0.00 H new ATOM 0 HG2 LYS A 37 3.040 7.539 -9.574 1.00 0.00 H new ATOM 0 HG3 LYS A 37 2.858 5.804 -9.739 1.00 0.00 H new ATOM 0 HD2 LYS A 37 1.162 6.078 -7.718 1.00 0.00 H new ATOM 0 HD3 LYS A 37 1.122 7.754 -8.227 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.513 5.346 -9.989 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.675 6.437 -9.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -0.245 7.054 -11.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.391 8.267 -10.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 1.429 7.140 -11.287 1.00 0.00 H new ATOM 525 N VAL A 38 4.886 8.899 -5.835 1.00 0.00 N ATOM 526 CA VAL A 38 5.195 9.259 -4.458 1.00 0.00 C ATOM 527 C VAL A 38 3.997 9.020 -3.545 1.00 0.00 C ATOM 528 O VAL A 38 2.858 9.314 -3.909 1.00 0.00 O ATOM 529 CB VAL A 38 5.625 10.734 -4.344 1.00 0.00 C ATOM 530 CG1 VAL A 38 6.135 11.037 -2.944 1.00 0.00 C ATOM 531 CG2 VAL A 38 6.682 11.063 -5.387 1.00 0.00 C ATOM 0 H VAL A 38 4.407 9.628 -6.364 1.00 0.00 H new ATOM 0 HA VAL A 38 6.022 8.622 -4.144 1.00 0.00 H new ATOM 0 HB VAL A 38 4.754 11.362 -4.531 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.434 12.084 -2.884 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.345 10.843 -2.219 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.993 10.402 -2.724 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.974 12.109 -5.292 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.554 10.427 -5.234 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.276 10.889 -6.384 1.00 0.00 H new ATOM 541 N GLY A 39 4.260 8.485 -2.358 1.00 0.00 N ATOM 542 CA GLY A 39 3.194 8.216 -1.412 1.00 0.00 C ATOM 543 C GLY A 39 3.715 7.892 -0.026 1.00 0.00 C ATOM 544 O GLY A 39 4.910 7.662 0.158 1.00 0.00 O ATOM 0 H GLY A 39 5.194 8.233 -2.034 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.536 9.083 -1.356 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.593 7.382 -1.775 1.00 0.00 H new ATOM 548 N THR A 40 2.816 7.874 0.954 1.00 0.00 N ATOM 549 CA THR A 40 3.191 7.575 2.330 1.00 0.00 C ATOM 550 C THR A 40 2.848 6.132 2.687 1.00 0.00 C ATOM 551 O THR A 40 1.691 5.720 2.605 1.00 0.00 O ATOM 552 CB THR A 40 2.484 8.533 3.292 1.00 0.00 C ATOM 553 OG1 THR A 40 2.117 9.730 2.629 1.00 0.00 O ATOM 554 CG2 THR A 40 3.331 8.913 4.487 1.00 0.00 C ATOM 0 H THR A 40 1.823 8.063 0.819 1.00 0.00 H new ATOM 0 HA THR A 40 4.269 7.706 2.423 1.00 0.00 H new ATOM 0 HB THR A 40 1.606 7.992 3.645 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.665 10.328 3.260 1.00 0.00 H new ATOM 0 HG21 THR A 40 2.771 9.593 5.128 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.591 8.016 5.049 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.242 9.404 4.146 1.00 0.00 H new ATOM 562 N LEU A 41 3.863 5.370 3.083 1.00 0.00 N ATOM 563 CA LEU A 41 3.670 3.973 3.453 1.00 0.00 C ATOM 564 C LEU A 41 2.733 3.850 4.651 1.00 0.00 C ATOM 565 O LEU A 41 2.962 4.462 5.695 1.00 0.00 O ATOM 566 CB LEU A 41 5.015 3.318 3.773 1.00 0.00 C ATOM 567 CG LEU A 41 4.975 1.797 3.922 1.00 0.00 C ATOM 568 CD1 LEU A 41 4.674 1.137 2.586 1.00 0.00 C ATOM 569 CD2 LEU A 41 6.290 1.283 4.488 1.00 0.00 C ATOM 0 H LEU A 41 4.827 5.697 3.156 1.00 0.00 H new ATOM 0 HA LEU A 41 3.215 3.459 2.606 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.722 3.572 2.984 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.401 3.748 4.697 1.00 0.00 H new ATOM 0 HG LEU A 41 4.177 1.540 4.618 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.650 0.055 2.712 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.707 1.481 2.220 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.449 1.401 1.867 1.00 0.00 H new ATOM 0 HD21 LEU A 41 6.244 0.199 4.588 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.105 1.552 3.816 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.464 1.730 5.467 1.00 0.00 H new ATOM 581 N ARG A 42 1.678 3.058 4.492 1.00 0.00 N ATOM 582 CA ARG A 42 0.706 2.855 5.560 1.00 0.00 C ATOM 583 C ARG A 42 0.630 1.382 5.953 1.00 0.00 C ATOM 584 O ARG A 42 0.559 1.049 7.136 1.00 0.00 O ATOM 585 CB ARG A 42 -0.674 3.349 5.124 1.00 0.00 C ATOM 586 CG ARG A 42 -0.649 4.718 4.464 1.00 0.00 C ATOM 587 CD ARG A 42 -0.028 5.764 5.375 1.00 0.00 C ATOM 588 NE ARG A 42 -0.378 7.122 4.966 1.00 0.00 N ATOM 589 CZ ARG A 42 -0.272 8.186 5.760 1.00 0.00 C ATOM 590 NH1 ARG A 42 0.173 8.053 7.003 1.00 0.00 N ATOM 591 NH2 ARG A 42 -0.612 9.385 5.308 1.00 0.00 N ATOM 0 H ARG A 42 1.474 2.546 3.634 1.00 0.00 H new ATOM 0 HA ARG A 42 1.032 3.429 6.427 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -1.106 2.628 4.430 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.329 3.386 5.994 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.085 4.664 3.533 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -1.665 5.017 4.205 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -0.361 5.597 6.399 1.00 0.00 H new ATOM 0 HD3 ARG A 42 1.056 5.652 5.370 1.00 0.00 H new ATOM 0 HE ARG A 42 -0.724 7.264 4.017 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.436 7.132 7.355 1.00 0.00 H new ATOM 0 HH12 ARG A 42 0.252 8.871 7.607 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -0.954 9.492 4.353 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -0.531 10.201 5.915 1.00 0.00 H new ATOM 605 N PHE A 43 0.645 0.507 4.954 1.00 0.00 N ATOM 606 CA PHE A 43 0.578 -0.930 5.195 1.00 0.00 C ATOM 607 C PHE A 43 1.664 -1.664 4.414 1.00 0.00 C ATOM 608 O PHE A 43 2.169 -1.160 3.411 1.00 0.00 O ATOM 609 CB PHE A 43 -0.800 -1.468 4.804 1.00 0.00 C ATOM 610 CG PHE A 43 -0.996 -2.918 5.142 1.00 0.00 C ATOM 611 CD1 PHE A 43 -0.563 -3.910 4.276 1.00 0.00 C ATOM 612 CD2 PHE A 43 -1.614 -3.290 6.326 1.00 0.00 C ATOM 613 CE1 PHE A 43 -0.743 -5.245 4.585 1.00 0.00 C ATOM 614 CE2 PHE A 43 -1.797 -4.623 6.639 1.00 0.00 C ATOM 615 CZ PHE A 43 -1.361 -5.602 5.768 1.00 0.00 C ATOM 0 H PHE A 43 0.703 0.767 3.969 1.00 0.00 H new ATOM 0 HA PHE A 43 0.741 -1.104 6.259 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.567 -0.879 5.307 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.944 -1.330 3.732 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -0.080 -3.637 3.350 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -1.956 -2.529 7.012 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -0.401 -6.009 3.902 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -2.281 -4.899 7.564 1.00 0.00 H new ATOM 0 HZ PHE A 43 -1.503 -6.645 6.011 1.00 0.00 H new ATOM 625 N CYS A 44 2.020 -2.856 4.883 1.00 0.00 N ATOM 626 CA CYS A 44 3.046 -3.659 4.229 1.00 0.00 C ATOM 627 C CYS A 44 2.897 -5.133 4.590 1.00 0.00 C ATOM 628 O CYS A 44 2.689 -5.479 5.753 1.00 0.00 O ATOM 629 CB CYS A 44 4.439 -3.164 4.624 1.00 0.00 C ATOM 630 SG CYS A 44 4.741 -3.155 6.406 1.00 0.00 S ATOM 0 H CYS A 44 1.613 -3.287 5.713 1.00 0.00 H new ATOM 0 HA CYS A 44 2.922 -3.554 3.151 1.00 0.00 H new ATOM 0 HB2 CYS A 44 5.187 -3.794 4.143 1.00 0.00 H new ATOM 0 HB3 CYS A 44 4.577 -2.154 4.238 1.00 0.00 H new ATOM 0 HG CYS A 44 4.043 -4.096 6.969 1.00 0.00 H new ATOM 636 N GLY A 45 3.003 -5.997 3.586 1.00 0.00 N ATOM 637 CA GLY A 45 2.878 -7.423 3.819 1.00 0.00 C ATOM 638 C GLY A 45 2.317 -8.160 2.618 1.00 0.00 C ATOM 639 O GLY A 45 2.911 -8.146 1.540 1.00 0.00 O ATOM 0 H GLY A 45 3.173 -5.735 2.615 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.856 -7.834 4.069 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.231 -7.592 4.680 1.00 0.00 H new ATOM 643 N THR A 46 1.170 -8.805 2.805 1.00 0.00 N ATOM 644 CA THR A 46 0.528 -9.550 1.728 1.00 0.00 C ATOM 645 C THR A 46 -0.945 -9.175 1.609 1.00 0.00 C ATOM 646 O THR A 46 -1.615 -8.921 2.610 1.00 0.00 O ATOM 647 CB THR A 46 0.665 -11.054 1.969 1.00 0.00 C ATOM 648 OG1 THR A 46 0.576 -11.350 3.352 1.00 0.00 O ATOM 649 CG2 THR A 46 1.970 -11.626 1.460 1.00 0.00 C ATOM 0 H THR A 46 0.666 -8.827 3.692 1.00 0.00 H new ATOM 0 HA THR A 46 1.026 -9.291 0.794 1.00 0.00 H new ATOM 0 HB THR A 46 -0.154 -11.511 1.413 1.00 0.00 H new ATOM 0 HG1 THR A 46 0.664 -12.317 3.486 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.002 -12.696 1.663 1.00 0.00 H new ATOM 0 HG22 THR A 46 2.046 -11.458 0.386 1.00 0.00 H new ATOM 0 HG23 THR A 46 2.803 -11.136 1.964 1.00 0.00 H new ATOM 657 N THR A 47 -1.443 -9.141 0.377 1.00 0.00 N ATOM 658 CA THR A 47 -2.839 -8.798 0.127 1.00 0.00 C ATOM 659 C THR A 47 -3.682 -10.054 -0.064 1.00 0.00 C ATOM 660 O THR A 47 -3.151 -11.159 -0.178 1.00 0.00 O ATOM 661 CB THR A 47 -2.950 -7.902 -1.108 1.00 0.00 C ATOM 662 OG1 THR A 47 -2.100 -8.363 -2.142 1.00 0.00 O ATOM 663 CG2 THR A 47 -2.596 -6.456 -0.833 1.00 0.00 C ATOM 0 H THR A 47 -0.902 -9.346 -0.463 1.00 0.00 H new ATOM 0 HA THR A 47 -3.217 -8.258 0.995 1.00 0.00 H new ATOM 0 HB THR A 47 -3.997 -7.953 -1.407 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.395 -7.702 -2.305 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.696 -5.876 -1.751 1.00 0.00 H new ATOM 0 HG22 THR A 47 -3.269 -6.054 -0.075 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.568 -6.395 -0.475 1.00 0.00 H new ATOM 671 N GLU A 48 -4.999 -9.877 -0.101 1.00 0.00 N ATOM 672 CA GLU A 48 -5.916 -10.997 -0.277 1.00 0.00 C ATOM 673 C GLU A 48 -6.429 -11.057 -1.713 1.00 0.00 C ATOM 674 O GLU A 48 -6.705 -12.137 -2.238 1.00 0.00 O ATOM 675 CB GLU A 48 -7.093 -10.878 0.693 1.00 0.00 C ATOM 676 CG GLU A 48 -6.849 -11.557 2.030 1.00 0.00 C ATOM 677 CD GLU A 48 -6.963 -13.067 1.947 1.00 0.00 C ATOM 678 OE1 GLU A 48 -6.373 -13.657 1.017 1.00 0.00 O ATOM 679 OE2 GLU A 48 -7.643 -13.660 2.811 1.00 0.00 O ATOM 0 H GLU A 48 -5.455 -8.969 -0.011 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.372 -11.917 -0.064 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -7.307 -9.823 0.864 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -7.980 -11.312 0.231 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.856 -11.291 2.393 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -7.566 -11.182 2.760 1.00 0.00 H new ATOM 686 N PHE A 49 -6.553 -9.893 -2.341 1.00 0.00 N ATOM 687 CA PHE A 49 -7.034 -9.814 -3.716 1.00 0.00 C ATOM 688 C PHE A 49 -5.910 -10.117 -4.702 1.00 0.00 C ATOM 689 O PHE A 49 -6.128 -10.761 -5.729 1.00 0.00 O ATOM 690 CB PHE A 49 -7.614 -8.428 -3.997 1.00 0.00 C ATOM 691 CG PHE A 49 -6.622 -7.314 -3.816 1.00 0.00 C ATOM 692 CD1 PHE A 49 -5.821 -6.904 -4.870 1.00 0.00 C ATOM 693 CD2 PHE A 49 -6.490 -6.677 -2.592 1.00 0.00 C ATOM 694 CE1 PHE A 49 -4.907 -5.881 -4.706 1.00 0.00 C ATOM 695 CE2 PHE A 49 -5.578 -5.653 -2.423 1.00 0.00 C ATOM 696 CZ PHE A 49 -4.786 -5.254 -3.482 1.00 0.00 C ATOM 0 H PHE A 49 -6.327 -8.992 -1.920 1.00 0.00 H new ATOM 0 HA PHE A 49 -7.818 -10.560 -3.844 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -7.994 -8.402 -5.018 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -8.464 -8.258 -3.336 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.912 -7.390 -5.830 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -7.107 -6.985 -1.761 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -4.287 -5.572 -5.535 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -5.484 -5.165 -1.464 1.00 0.00 H new ATOM 0 HZ PHE A 49 -4.073 -4.453 -3.353 1.00 0.00 H new ATOM 706 N ALA A 50 -4.708 -9.648 -4.384 1.00 0.00 N ATOM 707 CA ALA A 50 -3.550 -9.869 -5.242 1.00 0.00 C ATOM 708 C ALA A 50 -2.669 -10.988 -4.697 1.00 0.00 C ATOM 709 O ALA A 50 -2.981 -11.595 -3.672 1.00 0.00 O ATOM 710 CB ALA A 50 -2.748 -8.585 -5.386 1.00 0.00 C ATOM 0 H ALA A 50 -4.511 -9.113 -3.539 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.909 -10.172 -6.226 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.886 -8.764 -6.029 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.376 -7.811 -5.828 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.406 -8.258 -4.404 1.00 0.00 H new ATOM 716 N SER A 51 -1.565 -11.255 -5.388 1.00 0.00 N ATOM 717 CA SER A 51 -0.637 -12.301 -4.972 1.00 0.00 C ATOM 718 C SER A 51 0.779 -11.750 -4.842 1.00 0.00 C ATOM 719 O SER A 51 1.237 -10.983 -5.688 1.00 0.00 O ATOM 720 CB SER A 51 -0.657 -13.457 -5.973 1.00 0.00 C ATOM 721 OG SER A 51 0.396 -14.371 -5.719 1.00 0.00 O ATOM 0 H SER A 51 -1.291 -10.762 -6.238 1.00 0.00 H new ATOM 0 HA SER A 51 -0.956 -12.669 -3.997 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.614 -13.975 -5.915 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.567 -13.066 -6.986 1.00 0.00 H new ATOM 0 HG SER A 51 0.360 -15.101 -6.372 1.00 0.00 H new ATOM 727 N GLY A 52 1.467 -12.146 -3.776 1.00 0.00 N ATOM 728 CA GLY A 52 2.824 -11.683 -3.555 1.00 0.00 C ATOM 729 C GLY A 52 2.904 -10.618 -2.479 1.00 0.00 C ATOM 730 O GLY A 52 1.935 -10.378 -1.759 1.00 0.00 O ATOM 0 H GLY A 52 1.109 -12.779 -3.061 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.452 -12.528 -3.273 1.00 0.00 H new ATOM 0 HA3 GLY A 52 3.225 -11.285 -4.487 1.00 0.00 H new ATOM 734 N GLN A 53 4.064 -9.978 -2.370 1.00 0.00 N ATOM 735 CA GLN A 53 4.267 -8.932 -1.374 1.00 0.00 C ATOM 736 C GLN A 53 3.723 -7.595 -1.867 1.00 0.00 C ATOM 737 O GLN A 53 4.203 -7.047 -2.859 1.00 0.00 O ATOM 738 CB GLN A 53 5.756 -8.802 -1.040 1.00 0.00 C ATOM 739 CG GLN A 53 6.126 -9.367 0.322 1.00 0.00 C ATOM 740 CD GLN A 53 5.723 -10.820 0.478 1.00 0.00 C ATOM 741 OE1 GLN A 53 4.766 -11.076 1.363 1.00 0.00 O flip ATOM 742 NE2 GLN A 53 6.265 -11.702 -0.188 1.00 0.00 N flip ATOM 0 H GLN A 53 4.876 -10.165 -2.958 1.00 0.00 H new ATOM 0 HA GLN A 53 3.722 -9.211 -0.472 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.338 -9.314 -1.807 1.00 0.00 H new ATOM 0 HB3 GLN A 53 6.037 -7.750 -1.076 1.00 0.00 H new ATOM 0 HG2 GLN A 53 7.202 -9.274 0.470 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.645 -8.775 1.100 1.00 0.00 H new ATOM 0 HE21 GLN A 53 6.996 -11.460 -0.857 1.00 0.00 H new ATOM 0 HE22 GLN A 53 5.983 -12.675 -0.071 1.00 0.00 H new ATOM 751 N TRP A 54 2.718 -7.076 -1.168 1.00 0.00 N ATOM 752 CA TRP A 54 2.109 -5.803 -1.533 1.00 0.00 C ATOM 753 C TRP A 54 2.210 -4.803 -0.384 1.00 0.00 C ATOM 754 O TRP A 54 2.554 -5.169 0.740 1.00 0.00 O ATOM 755 CB TRP A 54 0.642 -6.007 -1.918 1.00 0.00 C ATOM 756 CG TRP A 54 0.463 -6.752 -3.206 1.00 0.00 C ATOM 757 CD1 TRP A 54 0.428 -8.107 -3.370 1.00 0.00 C ATOM 758 CD2 TRP A 54 0.296 -6.184 -4.510 1.00 0.00 C ATOM 759 NE1 TRP A 54 0.249 -8.416 -4.697 1.00 0.00 N ATOM 760 CE2 TRP A 54 0.165 -7.253 -5.417 1.00 0.00 C ATOM 761 CE3 TRP A 54 0.242 -4.876 -4.999 1.00 0.00 C ATOM 762 CZ2 TRP A 54 -0.015 -7.053 -6.783 1.00 0.00 C ATOM 763 CZ3 TRP A 54 0.064 -4.679 -6.355 1.00 0.00 C ATOM 764 CH2 TRP A 54 -0.064 -5.762 -7.233 1.00 0.00 C ATOM 0 H TRP A 54 2.308 -7.518 -0.345 1.00 0.00 H new ATOM 0 HA TRP A 54 2.650 -5.402 -2.390 1.00 0.00 H new ATOM 0 HB2 TRP A 54 0.137 -6.550 -1.119 1.00 0.00 H new ATOM 0 HB3 TRP A 54 0.157 -5.034 -1.999 1.00 0.00 H new ATOM 0 HD1 TRP A 54 0.527 -8.830 -2.574 1.00 0.00 H new ATOM 0 HE1 TRP A 54 0.188 -9.358 -5.083 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.338 -4.034 -4.329 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.112 -7.887 -7.463 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 0.023 -3.672 -6.744 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.204 -5.574 -8.287 1.00 0.00 H new ATOM 775 N ALA A 55 1.910 -3.542 -0.675 1.00 0.00 N ATOM 776 CA ALA A 55 1.968 -2.491 0.335 1.00 0.00 C ATOM 777 C ALA A 55 0.905 -1.429 0.084 1.00 0.00 C ATOM 778 O ALA A 55 0.673 -1.024 -1.055 1.00 0.00 O ATOM 779 CB ALA A 55 3.352 -1.860 0.360 1.00 0.00 C ATOM 0 H ALA A 55 1.624 -3.223 -1.601 1.00 0.00 H new ATOM 0 HA ALA A 55 1.769 -2.943 1.307 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.381 -1.077 1.118 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.095 -2.622 0.596 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.573 -1.428 -0.616 1.00 0.00 H new ATOM 785 N GLY A 56 0.259 -0.981 1.156 1.00 0.00 N ATOM 786 CA GLY A 56 -0.774 0.031 1.031 1.00 0.00 C ATOM 787 C GLY A 56 -0.242 1.435 1.243 1.00 0.00 C ATOM 788 O GLY A 56 0.037 1.835 2.373 1.00 0.00 O ATOM 0 H GLY A 56 0.432 -1.301 2.109 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.226 -0.037 0.042 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.563 -0.168 1.756 1.00 0.00 H new ATOM 792 N ILE A 57 -0.100 2.183 0.154 1.00 0.00 N ATOM 793 CA ILE A 57 0.402 3.550 0.226 1.00 0.00 C ATOM 794 C ILE A 57 -0.725 4.561 0.037 1.00 0.00 C ATOM 795 O ILE A 57 -1.720 4.277 -0.630 1.00 0.00 O ATOM 796 CB ILE A 57 1.489 3.807 -0.836 1.00 0.00 C ATOM 797 CG1 ILE A 57 2.532 2.687 -0.816 1.00 0.00 C ATOM 798 CG2 ILE A 57 2.146 5.160 -0.603 1.00 0.00 C ATOM 799 CD1 ILE A 57 2.677 1.973 -2.142 1.00 0.00 C ATOM 0 H ILE A 57 -0.325 1.866 -0.789 1.00 0.00 H new ATOM 0 HA ILE A 57 0.836 3.674 1.218 1.00 0.00 H new ATOM 0 HB ILE A 57 1.020 3.818 -1.820 1.00 0.00 H new ATOM 0 HG12 ILE A 57 3.497 3.105 -0.530 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.260 1.961 -0.050 1.00 0.00 H new ATOM 0 HG21 ILE A 57 2.912 5.328 -1.360 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.393 5.946 -0.667 1.00 0.00 H new ATOM 0 HG23 ILE A 57 2.604 5.176 0.386 1.00 0.00 H new ATOM 0 HD11 ILE A 57 3.433 1.192 -2.054 1.00 0.00 H new ATOM 0 HD12 ILE A 57 1.723 1.525 -2.420 1.00 0.00 H new ATOM 0 HD13 ILE A 57 2.980 2.687 -2.908 1.00 0.00 H new ATOM 811 N GLU A 58 -0.562 5.739 0.628 1.00 0.00 N ATOM 812 CA GLU A 58 -1.566 6.793 0.524 1.00 0.00 C ATOM 813 C GLU A 58 -1.027 7.983 -0.262 1.00 0.00 C ATOM 814 O GLU A 58 -0.265 8.794 0.264 1.00 0.00 O ATOM 815 CB GLU A 58 -2.008 7.245 1.917 1.00 0.00 C ATOM 816 CG GLU A 58 -3.453 7.711 1.974 1.00 0.00 C ATOM 817 CD GLU A 58 -3.618 9.155 1.542 1.00 0.00 C ATOM 818 OE1 GLU A 58 -2.614 9.899 1.563 1.00 0.00 O ATOM 819 OE2 GLU A 58 -4.750 9.541 1.181 1.00 0.00 O ATOM 0 H GLU A 58 0.256 5.989 1.184 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.426 6.389 -0.009 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.873 6.421 2.617 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.360 8.056 2.250 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.062 7.072 1.334 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.828 7.595 2.991 1.00 0.00 H new ATOM 826 N LEU A 59 -1.429 8.082 -1.525 1.00 0.00 N ATOM 827 CA LEU A 59 -0.986 9.174 -2.384 1.00 0.00 C ATOM 828 C LEU A 59 -1.489 10.516 -1.863 1.00 0.00 C ATOM 829 O LEU A 59 -2.605 10.616 -1.352 1.00 0.00 O ATOM 830 CB LEU A 59 -1.476 8.954 -3.817 1.00 0.00 C ATOM 831 CG LEU A 59 -1.016 7.649 -4.467 1.00 0.00 C ATOM 832 CD1 LEU A 59 -2.068 7.137 -5.437 1.00 0.00 C ATOM 833 CD2 LEU A 59 0.315 7.849 -5.176 1.00 0.00 C ATOM 0 H LEU A 59 -2.060 7.420 -1.976 1.00 0.00 H new ATOM 0 HA LEU A 59 0.104 9.188 -2.378 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.566 8.979 -3.820 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.137 9.787 -4.432 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.880 6.902 -3.685 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -1.723 6.207 -5.890 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.000 6.956 -4.901 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.236 7.880 -6.217 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.628 6.910 -5.633 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.205 8.610 -5.948 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.067 8.170 -4.455 1.00 0.00 H new ATOM 845 N ASP A 60 -0.659 11.545 -1.996 1.00 0.00 N ATOM 846 CA ASP A 60 -1.020 12.882 -1.539 1.00 0.00 C ATOM 847 C ASP A 60 -2.105 13.484 -2.427 1.00 0.00 C ATOM 848 O ASP A 60 -2.939 14.261 -1.963 1.00 0.00 O ATOM 849 CB ASP A 60 0.215 13.789 -1.528 1.00 0.00 C ATOM 850 CG ASP A 60 0.536 14.310 -0.140 1.00 0.00 C ATOM 851 OD1 ASP A 60 0.366 13.547 0.834 1.00 0.00 O ATOM 852 OD2 ASP A 60 0.958 15.480 -0.028 1.00 0.00 O ATOM 0 H ASP A 60 0.268 11.479 -2.416 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.411 12.802 -0.525 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.072 13.236 -1.913 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.050 14.631 -2.200 1.00 0.00 H new ATOM 857 N GLU A 61 -2.086 13.120 -3.704 1.00 0.00 N ATOM 858 CA GLU A 61 -3.069 13.624 -4.657 1.00 0.00 C ATOM 859 C GLU A 61 -4.072 12.535 -5.031 1.00 0.00 C ATOM 860 O GLU A 61 -3.764 11.345 -4.960 1.00 0.00 O ATOM 861 CB GLU A 61 -2.371 14.144 -5.915 1.00 0.00 C ATOM 862 CG GLU A 61 -1.260 15.142 -5.626 1.00 0.00 C ATOM 863 CD GLU A 61 0.121 14.546 -5.812 1.00 0.00 C ATOM 864 OE1 GLU A 61 0.282 13.331 -5.574 1.00 0.00 O ATOM 865 OE2 GLU A 61 1.044 15.296 -6.196 1.00 0.00 O ATOM 0 H GLU A 61 -1.401 12.478 -4.104 1.00 0.00 H new ATOM 0 HA GLU A 61 -3.609 14.444 -4.184 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.956 13.300 -6.465 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -3.111 14.614 -6.563 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -1.371 16.004 -6.283 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -1.360 15.506 -4.603 1.00 0.00 H new ATOM 872 N PRO A 62 -5.291 12.929 -5.438 1.00 0.00 N ATOM 873 CA PRO A 62 -6.341 11.979 -5.824 1.00 0.00 C ATOM 874 C PRO A 62 -5.992 11.219 -7.098 1.00 0.00 C ATOM 875 O PRO A 62 -6.373 11.621 -8.197 1.00 0.00 O ATOM 876 CB PRO A 62 -7.566 12.869 -6.049 1.00 0.00 C ATOM 877 CG PRO A 62 -7.010 14.217 -6.352 1.00 0.00 C ATOM 878 CD PRO A 62 -5.742 14.329 -5.553 1.00 0.00 C ATOM 0 HA PRO A 62 -6.493 11.210 -5.066 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -8.177 12.499 -6.873 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -8.204 12.894 -5.165 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -6.811 14.327 -7.418 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -7.715 15.001 -6.077 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -5.002 14.950 -6.057 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -5.920 14.776 -4.575 1.00 0.00 H new ATOM 886 N GLU A 63 -5.265 10.117 -6.943 1.00 0.00 N ATOM 887 CA GLU A 63 -4.865 9.298 -8.081 1.00 0.00 C ATOM 888 C GLU A 63 -4.750 7.830 -7.683 1.00 0.00 C ATOM 889 O GLU A 63 -3.936 7.089 -8.232 1.00 0.00 O ATOM 890 CB GLU A 63 -3.531 9.790 -8.647 1.00 0.00 C ATOM 891 CG GLU A 63 -3.575 11.227 -9.144 1.00 0.00 C ATOM 892 CD GLU A 63 -2.223 11.720 -9.621 1.00 0.00 C ATOM 893 OE1 GLU A 63 -1.837 11.386 -10.760 1.00 0.00 O ATOM 894 OE2 GLU A 63 -1.550 12.440 -8.853 1.00 0.00 O ATOM 0 H GLU A 63 -4.941 9.771 -6.040 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.634 9.388 -8.848 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.765 9.704 -7.877 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -3.232 9.139 -9.468 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.294 11.304 -9.960 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.932 11.874 -8.343 1.00 0.00 H new ATOM 901 N GLY A 64 -5.573 7.417 -6.724 1.00 0.00 N ATOM 902 CA GLY A 64 -5.549 6.041 -6.267 1.00 0.00 C ATOM 903 C GLY A 64 -6.734 5.242 -6.774 1.00 0.00 C ATOM 904 O GLY A 64 -7.704 5.809 -7.276 1.00 0.00 O ATOM 0 H GLY A 64 -6.256 8.012 -6.255 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.626 5.567 -6.600 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -5.542 6.023 -5.177 1.00 0.00 H new ATOM 908 N LYS A 65 -6.654 3.921 -6.644 1.00 0.00 N ATOM 909 CA LYS A 65 -7.729 3.042 -7.094 1.00 0.00 C ATOM 910 C LYS A 65 -8.358 2.304 -5.917 1.00 0.00 C ATOM 911 O LYS A 65 -8.831 1.176 -6.060 1.00 0.00 O ATOM 912 CB LYS A 65 -7.199 2.037 -8.117 1.00 0.00 C ATOM 913 CG LYS A 65 -7.000 2.626 -9.504 1.00 0.00 C ATOM 914 CD LYS A 65 -6.216 1.683 -10.403 1.00 0.00 C ATOM 915 CE LYS A 65 -4.753 2.086 -10.495 1.00 0.00 C ATOM 916 NZ LYS A 65 -4.445 2.769 -11.783 1.00 0.00 N ATOM 0 H LYS A 65 -5.857 3.436 -6.231 1.00 0.00 H new ATOM 0 HA LYS A 65 -8.496 3.658 -7.564 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.249 1.637 -7.762 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -7.893 1.199 -8.184 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -7.970 2.836 -9.954 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.473 3.577 -9.424 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.290 0.666 -10.018 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -6.657 1.679 -11.400 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -4.506 2.748 -9.665 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -4.125 1.200 -10.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -3.438 3.028 -11.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -4.657 2.129 -12.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -5.025 3.628 -11.868 1.00 0.00 H new ATOM 930 N ASN A 66 -8.360 2.946 -4.753 1.00 0.00 N ATOM 931 CA ASN A 66 -8.931 2.348 -3.552 1.00 0.00 C ATOM 932 C ASN A 66 -9.219 3.411 -2.497 1.00 0.00 C ATOM 933 O ASN A 66 -8.999 4.601 -2.724 1.00 0.00 O ATOM 934 CB ASN A 66 -7.984 1.291 -2.983 1.00 0.00 C ATOM 935 CG ASN A 66 -8.230 -0.083 -3.573 1.00 0.00 C ATOM 936 OD1 ASN A 66 -9.370 -0.545 -3.648 1.00 0.00 O ATOM 937 ND2 ASN A 66 -7.160 -0.747 -3.996 1.00 0.00 N ATOM 0 H ASN A 66 -7.973 3.880 -4.616 1.00 0.00 H new ATOM 0 HA ASN A 66 -9.872 1.872 -3.827 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -6.953 1.588 -3.178 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -8.103 1.245 -1.901 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -7.264 -1.677 -4.402 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -6.234 -0.327 -3.915 1.00 0.00 H new ATOM 944 N ASN A 67 -9.712 2.974 -1.343 1.00 0.00 N ATOM 945 CA ASN A 67 -10.031 3.889 -0.253 1.00 0.00 C ATOM 946 C ASN A 67 -9.459 3.384 1.069 1.00 0.00 C ATOM 947 O ASN A 67 -10.025 3.629 2.135 1.00 0.00 O ATOM 948 CB ASN A 67 -11.546 4.064 -0.131 1.00 0.00 C ATOM 949 CG ASN A 67 -12.267 2.743 0.048 1.00 0.00 C ATOM 950 OD1 ASN A 67 -11.928 1.951 0.926 1.00 0.00 O ATOM 951 ND2 ASN A 67 -13.270 2.499 -0.787 1.00 0.00 N ATOM 0 H ASN A 67 -9.899 1.992 -1.138 1.00 0.00 H new ATOM 0 HA ASN A 67 -9.577 4.854 -0.480 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -11.767 4.713 0.716 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -11.924 4.564 -1.023 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -13.793 1.626 -0.715 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -13.517 3.184 -1.501 1.00 0.00 H new ATOM 958 N GLY A 68 -8.335 2.679 0.991 1.00 0.00 N ATOM 959 CA GLY A 68 -7.706 2.153 2.189 1.00 0.00 C ATOM 960 C GLY A 68 -8.052 0.698 2.436 1.00 0.00 C ATOM 961 O GLY A 68 -7.241 -0.059 2.967 1.00 0.00 O ATOM 0 H GLY A 68 -7.849 2.463 0.121 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -6.624 2.256 2.103 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -8.015 2.748 3.049 1.00 0.00 H new ATOM 965 N SER A 69 -9.262 0.305 2.048 1.00 0.00 N ATOM 966 CA SER A 69 -9.714 -1.070 2.230 1.00 0.00 C ATOM 967 C SER A 69 -10.239 -1.648 0.921 1.00 0.00 C ATOM 968 O SER A 69 -10.729 -0.916 0.061 1.00 0.00 O ATOM 969 CB SER A 69 -10.803 -1.133 3.302 1.00 0.00 C ATOM 970 OG SER A 69 -11.867 -0.246 3.003 1.00 0.00 O ATOM 0 H SER A 69 -9.946 0.919 1.606 1.00 0.00 H new ATOM 0 HA SER A 69 -8.861 -1.667 2.553 1.00 0.00 H new ATOM 0 HB2 SER A 69 -11.185 -2.151 3.377 1.00 0.00 H new ATOM 0 HB3 SER A 69 -10.377 -0.880 4.273 1.00 0.00 H new ATOM 0 HG SER A 69 -11.645 0.273 2.202 1.00 0.00 H new ATOM 976 N VAL A 70 -10.132 -2.965 0.775 1.00 0.00 N ATOM 977 CA VAL A 70 -10.596 -3.640 -0.430 1.00 0.00 C ATOM 978 C VAL A 70 -11.535 -4.792 -0.085 1.00 0.00 C ATOM 979 O VAL A 70 -11.157 -5.724 0.624 1.00 0.00 O ATOM 980 CB VAL A 70 -9.417 -4.186 -1.259 1.00 0.00 C ATOM 981 CG1 VAL A 70 -9.906 -4.743 -2.587 1.00 0.00 C ATOM 982 CG2 VAL A 70 -8.372 -3.101 -1.482 1.00 0.00 C ATOM 0 H VAL A 70 -9.728 -3.585 1.477 1.00 0.00 H new ATOM 0 HA VAL A 70 -11.133 -2.898 -1.021 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.953 -4.999 -0.700 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -9.058 -5.123 -3.157 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -10.612 -5.553 -2.404 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -10.399 -3.953 -3.154 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.547 -3.505 -2.069 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -8.823 -2.266 -2.017 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.996 -2.754 -0.519 1.00 0.00 H new ATOM 992 N GLY A 71 -12.762 -4.720 -0.592 1.00 0.00 N ATOM 993 CA GLY A 71 -13.736 -5.762 -0.326 1.00 0.00 C ATOM 994 C GLY A 71 -14.051 -5.898 1.150 1.00 0.00 C ATOM 995 O GLY A 71 -14.402 -4.919 1.810 1.00 0.00 O ATOM 0 H GLY A 71 -13.099 -3.959 -1.182 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -14.654 -5.545 -0.872 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -13.359 -6.713 -0.703 1.00 0.00 H new ATOM 999 N ARG A 72 -13.926 -7.114 1.671 1.00 0.00 N ATOM 1000 CA ARG A 72 -14.200 -7.375 3.079 1.00 0.00 C ATOM 1001 C ARG A 72 -12.908 -7.402 3.889 1.00 0.00 C ATOM 1002 O ARG A 72 -12.809 -8.101 4.898 1.00 0.00 O ATOM 1003 CB ARG A 72 -14.946 -8.703 3.237 1.00 0.00 C ATOM 1004 CG ARG A 72 -16.455 -8.548 3.320 1.00 0.00 C ATOM 1005 CD ARG A 72 -17.084 -9.654 4.150 1.00 0.00 C ATOM 1006 NE ARG A 72 -18.537 -9.691 4.006 1.00 0.00 N ATOM 1007 CZ ARG A 72 -19.289 -10.742 4.324 1.00 0.00 C ATOM 1008 NH1 ARG A 72 -18.728 -11.845 4.806 1.00 0.00 N ATOM 1009 NH2 ARG A 72 -20.603 -10.691 4.163 1.00 0.00 N ATOM 0 H ARG A 72 -13.637 -7.935 1.139 1.00 0.00 H new ATOM 0 HA ARG A 72 -14.827 -6.568 3.458 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -14.702 -9.350 2.394 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -14.591 -9.205 4.137 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -16.699 -7.580 3.758 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -16.879 -8.560 2.316 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -16.666 -10.615 3.849 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -16.828 -9.509 5.200 1.00 0.00 H new ATOM 0 HE ARG A 72 -19.004 -8.861 3.640 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -17.717 -11.889 4.934 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -19.308 -12.648 5.048 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -21.039 -9.846 3.795 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -21.178 -11.497 4.407 1.00 0.00 H new ATOM 1023 N VAL A 73 -11.918 -6.635 3.443 1.00 0.00 N ATOM 1024 CA VAL A 73 -10.632 -6.572 4.126 1.00 0.00 C ATOM 1025 C VAL A 73 -10.213 -5.129 4.382 1.00 0.00 C ATOM 1026 O VAL A 73 -10.372 -4.264 3.521 1.00 0.00 O ATOM 1027 CB VAL A 73 -9.529 -7.277 3.314 1.00 0.00 C ATOM 1028 CG1 VAL A 73 -8.248 -7.378 4.127 1.00 0.00 C ATOM 1029 CG2 VAL A 73 -9.994 -8.653 2.864 1.00 0.00 C ATOM 0 H VAL A 73 -11.983 -6.048 2.611 1.00 0.00 H new ATOM 0 HA VAL A 73 -10.757 -7.085 5.079 1.00 0.00 H new ATOM 0 HB VAL A 73 -9.321 -6.681 2.425 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -7.481 -7.879 3.537 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -7.906 -6.378 4.393 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -8.438 -7.950 5.035 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -9.202 -9.136 2.292 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -10.233 -9.260 3.737 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -10.882 -8.551 2.240 1.00 0.00 H new ATOM 1039 N GLN A 74 -9.679 -4.875 5.572 1.00 0.00 N ATOM 1040 CA GLN A 74 -9.236 -3.535 5.942 1.00 0.00 C ATOM 1041 C GLN A 74 -7.724 -3.496 6.135 1.00 0.00 C ATOM 1042 O GLN A 74 -7.147 -4.370 6.783 1.00 0.00 O ATOM 1043 CB GLN A 74 -9.937 -3.079 7.224 1.00 0.00 C ATOM 1044 CG GLN A 74 -9.668 -1.626 7.580 1.00 0.00 C ATOM 1045 CD GLN A 74 -10.489 -0.661 6.749 1.00 0.00 C ATOM 1046 OE1 GLN A 74 -9.838 0.373 6.228 1.00 0.00 O flip ATOM 1047 NE2 GLN A 74 -11.694 -0.841 6.575 1.00 0.00 N flip ATOM 0 H GLN A 74 -9.542 -5.579 6.297 1.00 0.00 H new ATOM 0 HA GLN A 74 -9.499 -2.856 5.131 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -11.011 -3.224 7.112 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -9.614 -3.713 8.050 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -9.887 -1.468 8.636 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -8.609 -1.411 7.439 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -12.155 -1.649 6.994 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -12.232 -0.182 6.012 1.00 0.00 H new ATOM 1056 N TYR A 75 -7.086 -2.477 5.568 1.00 0.00 N ATOM 1057 CA TYR A 75 -5.640 -2.323 5.678 1.00 0.00 C ATOM 1058 C TYR A 75 -5.284 -1.006 6.359 1.00 0.00 C ATOM 1059 O TYR A 75 -4.653 -0.993 7.416 1.00 0.00 O ATOM 1060 CB TYR A 75 -4.994 -2.385 4.292 1.00 0.00 C ATOM 1061 CG TYR A 75 -5.333 -3.641 3.521 1.00 0.00 C ATOM 1062 CD1 TYR A 75 -6.447 -3.690 2.692 1.00 0.00 C ATOM 1063 CD2 TYR A 75 -4.538 -4.775 3.622 1.00 0.00 C ATOM 1064 CE1 TYR A 75 -6.759 -4.836 1.984 1.00 0.00 C ATOM 1065 CE2 TYR A 75 -4.845 -5.925 2.918 1.00 0.00 C ATOM 1066 CZ TYR A 75 -5.955 -5.950 2.101 1.00 0.00 C ATOM 1067 OH TYR A 75 -6.263 -7.092 1.399 1.00 0.00 O ATOM 0 H TYR A 75 -7.548 -1.746 5.028 1.00 0.00 H new ATOM 0 HA TYR A 75 -5.257 -3.141 6.288 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -5.311 -1.517 3.714 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -3.912 -2.317 4.402 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -7.079 -2.819 2.599 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -3.667 -4.759 4.260 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -7.628 -4.858 1.343 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -4.218 -6.800 3.008 1.00 0.00 H new ATOM 0 HH TYR A 75 -5.596 -7.784 1.592 1.00 0.00 H new ATOM 1077 N PHE A 76 -5.692 0.100 5.745 1.00 0.00 N ATOM 1078 CA PHE A 76 -5.416 1.424 6.292 1.00 0.00 C ATOM 1079 C PHE A 76 -6.558 2.387 5.981 1.00 0.00 C ATOM 1080 O PHE A 76 -7.376 2.131 5.098 1.00 0.00 O ATOM 1081 CB PHE A 76 -4.105 1.970 5.726 1.00 0.00 C ATOM 1082 CG PHE A 76 -4.118 2.132 4.233 1.00 0.00 C ATOM 1083 CD1 PHE A 76 -3.889 1.048 3.402 1.00 0.00 C ATOM 1084 CD2 PHE A 76 -4.361 3.371 3.661 1.00 0.00 C ATOM 1085 CE1 PHE A 76 -3.900 1.196 2.028 1.00 0.00 C ATOM 1086 CE2 PHE A 76 -4.374 3.525 2.288 1.00 0.00 C ATOM 1087 CZ PHE A 76 -4.143 2.436 1.470 1.00 0.00 C ATOM 0 H PHE A 76 -6.215 0.106 4.869 1.00 0.00 H new ATOM 0 HA PHE A 76 -5.325 1.332 7.374 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.894 2.935 6.186 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -3.292 1.300 6.004 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -3.700 0.076 3.833 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -4.542 4.226 4.296 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -3.719 0.343 1.391 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -4.565 4.496 1.855 1.00 0.00 H new ATOM 0 HZ PHE A 76 -4.152 2.554 0.396 1.00 0.00 H new ATOM 1097 N LYS A 77 -6.606 3.495 6.713 1.00 0.00 N ATOM 1098 CA LYS A 77 -7.647 4.496 6.514 1.00 0.00 C ATOM 1099 C LYS A 77 -7.131 5.661 5.675 1.00 0.00 C ATOM 1100 O LYS A 77 -6.030 6.162 5.903 1.00 0.00 O ATOM 1101 CB LYS A 77 -8.156 5.009 7.863 1.00 0.00 C ATOM 1102 CG LYS A 77 -8.830 3.939 8.705 1.00 0.00 C ATOM 1103 CD LYS A 77 -9.992 3.297 7.966 1.00 0.00 C ATOM 1104 CE LYS A 77 -11.084 2.850 8.925 1.00 0.00 C ATOM 1105 NZ LYS A 77 -10.756 1.550 9.572 1.00 0.00 N ATOM 0 H LYS A 77 -5.937 3.722 7.449 1.00 0.00 H new ATOM 0 HA LYS A 77 -8.471 4.024 5.978 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -7.319 5.427 8.423 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -8.861 5.822 7.691 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -8.102 3.174 8.974 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -9.188 4.379 9.636 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -10.405 4.006 7.248 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -9.633 2.440 7.397 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -11.228 3.611 9.692 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -12.027 2.759 8.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -11.635 1.075 9.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -10.243 0.946 8.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -10.161 1.719 10.408 1.00 0.00 H new ATOM 1119 N CYS A 78 -7.934 6.088 4.706 1.00 0.00 N ATOM 1120 CA CYS A 78 -7.559 7.195 3.833 1.00 0.00 C ATOM 1121 C CYS A 78 -8.782 7.764 3.123 1.00 0.00 C ATOM 1122 O CYS A 78 -9.914 7.368 3.401 1.00 0.00 O ATOM 1123 CB CYS A 78 -6.525 6.731 2.804 1.00 0.00 C ATOM 1124 SG CYS A 78 -7.134 5.469 1.662 1.00 0.00 S ATOM 0 H CYS A 78 -8.849 5.684 4.505 1.00 0.00 H new ATOM 0 HA CYS A 78 -7.121 7.981 4.449 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -6.188 7.594 2.229 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -5.655 6.339 3.331 1.00 0.00 H new ATOM 0 HG CYS A 78 -6.312 4.462 1.649 1.00 0.00 H new ATOM 1130 N ALA A 79 -8.547 8.698 2.206 1.00 0.00 N ATOM 1131 CA ALA A 79 -9.630 9.323 1.457 1.00 0.00 C ATOM 1132 C ALA A 79 -9.928 8.551 0.173 1.00 0.00 C ATOM 1133 O ALA A 79 -9.081 7.811 -0.326 1.00 0.00 O ATOM 1134 CB ALA A 79 -9.285 10.769 1.138 1.00 0.00 C ATOM 0 H ALA A 79 -7.616 9.038 1.964 1.00 0.00 H new ATOM 0 HA ALA A 79 -10.526 9.303 2.077 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.103 11.223 0.578 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.131 11.319 2.066 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.374 10.802 0.540 1.00 0.00 H new ATOM 1140 N PRO A 80 -11.143 8.713 -0.379 1.00 0.00 N ATOM 1141 CA PRO A 80 -11.550 8.027 -1.610 1.00 0.00 C ATOM 1142 C PRO A 80 -10.685 8.421 -2.803 1.00 0.00 C ATOM 1143 O PRO A 80 -10.421 9.602 -3.028 1.00 0.00 O ATOM 1144 CB PRO A 80 -12.998 8.489 -1.827 1.00 0.00 C ATOM 1145 CG PRO A 80 -13.444 9.015 -0.506 1.00 0.00 C ATOM 1146 CD PRO A 80 -12.214 9.572 0.150 1.00 0.00 C ATOM 0 HA PRO A 80 -11.446 6.946 -1.521 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -13.054 9.259 -2.596 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -13.629 7.663 -2.155 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -14.205 9.786 -0.629 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -13.886 8.225 0.100 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -12.057 10.619 -0.109 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -12.276 9.518 1.237 1.00 0.00 H new ATOM 1154 N LYS A 81 -10.250 7.425 -3.567 1.00 0.00 N ATOM 1155 CA LYS A 81 -9.418 7.667 -4.740 1.00 0.00 C ATOM 1156 C LYS A 81 -8.123 8.377 -4.354 1.00 0.00 C ATOM 1157 O LYS A 81 -7.739 9.371 -4.972 1.00 0.00 O ATOM 1158 CB LYS A 81 -10.185 8.499 -5.770 1.00 0.00 C ATOM 1159 CG LYS A 81 -11.557 7.936 -6.105 1.00 0.00 C ATOM 1160 CD LYS A 81 -12.492 9.016 -6.622 1.00 0.00 C ATOM 1161 CE LYS A 81 -12.595 8.986 -8.138 1.00 0.00 C ATOM 1162 NZ LYS A 81 -13.024 7.651 -8.639 1.00 0.00 N ATOM 0 H LYS A 81 -10.460 6.442 -3.395 1.00 0.00 H new ATOM 0 HA LYS A 81 -9.162 6.703 -5.179 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.300 9.515 -5.391 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.595 8.565 -6.684 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -11.456 7.151 -6.855 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -11.989 7.474 -5.217 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -13.482 8.880 -6.186 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -12.133 9.994 -6.300 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -13.306 9.743 -8.469 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -11.629 9.244 -8.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -13.482 7.759 -9.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -12.193 7.032 -8.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -13.696 7.228 -7.968 1.00 0.00 H new ATOM 1176 N TYR A 82 -7.451 7.859 -3.331 1.00 0.00 N ATOM 1177 CA TYR A 82 -6.199 8.440 -2.865 1.00 0.00 C ATOM 1178 C TYR A 82 -5.169 7.353 -2.578 1.00 0.00 C ATOM 1179 O TYR A 82 -4.013 7.454 -2.989 1.00 0.00 O ATOM 1180 CB TYR A 82 -6.436 9.281 -1.609 1.00 0.00 C ATOM 1181 CG TYR A 82 -6.698 10.741 -1.897 1.00 0.00 C ATOM 1182 CD1 TYR A 82 -5.649 11.624 -2.117 1.00 0.00 C ATOM 1183 CD2 TYR A 82 -7.994 11.237 -1.949 1.00 0.00 C ATOM 1184 CE1 TYR A 82 -5.884 12.960 -2.381 1.00 0.00 C ATOM 1185 CE2 TYR A 82 -8.239 12.572 -2.213 1.00 0.00 C ATOM 1186 CZ TYR A 82 -7.180 13.429 -2.428 1.00 0.00 C ATOM 1187 OH TYR A 82 -7.419 14.758 -2.690 1.00 0.00 O ATOM 0 H TYR A 82 -7.754 7.037 -2.809 1.00 0.00 H new ATOM 0 HA TYR A 82 -5.811 9.084 -3.654 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -7.284 8.870 -1.062 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -5.566 9.199 -0.958 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -4.633 11.261 -2.081 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -8.825 10.568 -1.780 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -5.057 13.633 -2.550 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -9.253 12.941 -2.251 1.00 0.00 H new ATOM 0 HH TYR A 82 -6.589 15.268 -2.580 1.00 0.00 H new ATOM 1197 N GLY A 83 -5.596 6.312 -1.871 1.00 0.00 N ATOM 1198 CA GLY A 83 -4.700 5.220 -1.542 1.00 0.00 C ATOM 1199 C GLY A 83 -4.585 4.208 -2.665 1.00 0.00 C ATOM 1200 O GLY A 83 -5.471 4.108 -3.512 1.00 0.00 O ATOM 0 H GLY A 83 -6.548 6.205 -1.520 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -3.712 5.620 -1.315 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.056 4.720 -0.641 1.00 0.00 H new ATOM 1204 N ILE A 84 -3.489 3.457 -2.672 1.00 0.00 N ATOM 1205 CA ILE A 84 -3.261 2.448 -3.699 1.00 0.00 C ATOM 1206 C ILE A 84 -2.290 1.377 -3.211 1.00 0.00 C ATOM 1207 O ILE A 84 -1.473 1.622 -2.324 1.00 0.00 O ATOM 1208 CB ILE A 84 -2.713 3.080 -4.994 1.00 0.00 C ATOM 1209 CG1 ILE A 84 -2.582 2.024 -6.093 1.00 0.00 C ATOM 1210 CG2 ILE A 84 -1.372 3.751 -4.734 1.00 0.00 C ATOM 1211 CD1 ILE A 84 -2.615 2.599 -7.493 1.00 0.00 C ATOM 0 H ILE A 84 -2.745 3.528 -1.978 1.00 0.00 H new ATOM 0 HA ILE A 84 -4.225 1.986 -3.912 1.00 0.00 H new ATOM 0 HB ILE A 84 -3.418 3.840 -5.331 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.647 1.481 -5.954 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.390 1.300 -5.988 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.000 4.192 -5.659 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -1.495 4.532 -3.984 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -0.659 3.010 -4.373 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -2.517 1.793 -8.220 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -3.561 3.117 -7.651 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.791 3.302 -7.617 1.00 0.00 H new ATOM 1223 N PHE A 85 -2.386 0.187 -3.795 1.00 0.00 N ATOM 1224 CA PHE A 85 -1.517 -0.922 -3.420 1.00 0.00 C ATOM 1225 C PHE A 85 -0.518 -1.232 -4.530 1.00 0.00 C ATOM 1226 O PHE A 85 -0.865 -1.224 -5.711 1.00 0.00 O ATOM 1227 CB PHE A 85 -2.350 -2.167 -3.107 1.00 0.00 C ATOM 1228 CG PHE A 85 -3.053 -2.102 -1.780 1.00 0.00 C ATOM 1229 CD1 PHE A 85 -4.254 -1.424 -1.652 1.00 0.00 C ATOM 1230 CD2 PHE A 85 -2.512 -2.718 -0.664 1.00 0.00 C ATOM 1231 CE1 PHE A 85 -4.903 -1.363 -0.433 1.00 0.00 C ATOM 1232 CE2 PHE A 85 -3.156 -2.660 0.558 1.00 0.00 C ATOM 1233 CZ PHE A 85 -4.353 -1.981 0.674 1.00 0.00 C ATOM 0 H PHE A 85 -3.057 -0.034 -4.530 1.00 0.00 H new ATOM 0 HA PHE A 85 -0.963 -0.629 -2.528 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -3.090 -2.306 -3.895 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -1.700 -3.042 -3.122 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -4.688 -0.938 -2.513 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -1.576 -3.250 -0.749 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -5.840 -0.832 -0.346 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -2.724 -3.145 1.421 1.00 0.00 H new ATOM 0 HZ PHE A 85 -4.858 -1.933 1.627 1.00 0.00 H new ATOM 1243 N ALA A 86 0.723 -1.506 -4.142 1.00 0.00 N ATOM 1244 CA ALA A 86 1.773 -1.820 -5.104 1.00 0.00 C ATOM 1245 C ALA A 86 2.750 -2.845 -4.534 1.00 0.00 C ATOM 1246 O ALA A 86 2.898 -2.964 -3.317 1.00 0.00 O ATOM 1247 CB ALA A 86 2.512 -0.554 -5.510 1.00 0.00 C ATOM 0 H ALA A 86 1.026 -1.517 -3.168 1.00 0.00 H new ATOM 0 HA ALA A 86 1.305 -2.254 -5.988 1.00 0.00 H new ATOM 0 HB1 ALA A 86 3.293 -0.803 -6.228 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.811 0.147 -5.964 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.962 -0.097 -4.629 1.00 0.00 H new ATOM 1253 N PRO A 87 3.430 -3.605 -5.409 1.00 0.00 N ATOM 1254 CA PRO A 87 4.395 -4.625 -4.986 1.00 0.00 C ATOM 1255 C PRO A 87 5.482 -4.053 -4.082 1.00 0.00 C ATOM 1256 O PRO A 87 6.179 -3.111 -4.452 1.00 0.00 O ATOM 1257 CB PRO A 87 5.001 -5.119 -6.304 1.00 0.00 C ATOM 1258 CG PRO A 87 3.982 -4.792 -7.340 1.00 0.00 C ATOM 1259 CD PRO A 87 3.312 -3.530 -6.877 1.00 0.00 C ATOM 0 HA PRO A 87 3.921 -5.413 -4.401 1.00 0.00 H new ATOM 0 HB2 PRO A 87 5.950 -4.624 -6.513 1.00 0.00 H new ATOM 0 HB3 PRO A 87 5.201 -6.190 -6.270 1.00 0.00 H new ATOM 0 HG2 PRO A 87 4.448 -4.651 -8.315 1.00 0.00 H new ATOM 0 HG3 PRO A 87 3.259 -5.601 -7.446 1.00 0.00 H new ATOM 0 HD2 PRO A 87 3.804 -2.643 -7.276 1.00 0.00 H new ATOM 0 HD3 PRO A 87 2.270 -3.487 -7.196 1.00 0.00 H new ATOM 1267 N LEU A 88 5.617 -4.632 -2.889 1.00 0.00 N ATOM 1268 CA LEU A 88 6.621 -4.181 -1.931 1.00 0.00 C ATOM 1269 C LEU A 88 7.973 -4.052 -2.615 1.00 0.00 C ATOM 1270 O LEU A 88 8.675 -3.053 -2.456 1.00 0.00 O ATOM 1271 CB LEU A 88 6.716 -5.155 -0.755 1.00 0.00 C ATOM 1272 CG LEU A 88 7.465 -4.625 0.468 1.00 0.00 C ATOM 1273 CD1 LEU A 88 6.682 -3.499 1.126 1.00 0.00 C ATOM 1274 CD2 LEU A 88 7.725 -5.747 1.461 1.00 0.00 C ATOM 0 H LEU A 88 5.045 -5.412 -2.565 1.00 0.00 H new ATOM 0 HA LEU A 88 6.323 -3.205 -1.548 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.707 -5.433 -0.451 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.208 -6.066 -1.097 1.00 0.00 H new ATOM 0 HG LEU A 88 8.425 -4.228 0.139 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.230 -3.134 1.995 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.547 -2.685 0.414 1.00 0.00 H new ATOM 0 HD13 LEU A 88 5.707 -3.870 1.442 1.00 0.00 H new ATOM 0 HD21 LEU A 88 8.259 -5.352 2.325 1.00 0.00 H new ATOM 0 HD22 LEU A 88 6.776 -6.173 1.785 1.00 0.00 H new ATOM 0 HD23 LEU A 88 8.327 -6.521 0.986 1.00 0.00 H new ATOM 1286 N SER A 89 8.315 -5.070 -3.397 1.00 0.00 N ATOM 1287 CA SER A 89 9.567 -5.074 -4.136 1.00 0.00 C ATOM 1288 C SER A 89 9.652 -3.832 -5.014 1.00 0.00 C ATOM 1289 O SER A 89 10.740 -3.370 -5.355 1.00 0.00 O ATOM 1290 CB SER A 89 9.679 -6.337 -4.993 1.00 0.00 C ATOM 1291 OG SER A 89 10.943 -6.956 -4.827 1.00 0.00 O ATOM 0 H SER A 89 7.741 -5.902 -3.534 1.00 0.00 H new ATOM 0 HA SER A 89 10.394 -5.066 -3.426 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.889 -7.037 -4.720 1.00 0.00 H new ATOM 0 HB3 SER A 89 9.530 -6.082 -6.042 1.00 0.00 H new ATOM 0 HG SER A 89 10.989 -7.761 -5.384 1.00 0.00 H new ATOM 1297 N LYS A 90 8.487 -3.283 -5.360 1.00 0.00 N ATOM 1298 CA LYS A 90 8.428 -2.082 -6.180 1.00 0.00 C ATOM 1299 C LYS A 90 8.429 -0.832 -5.301 1.00 0.00 C ATOM 1300 O LYS A 90 8.619 0.280 -5.792 1.00 0.00 O ATOM 1301 CB LYS A 90 7.181 -2.098 -7.067 1.00 0.00 C ATOM 1302 CG LYS A 90 7.426 -2.674 -8.453 1.00 0.00 C ATOM 1303 CD LYS A 90 7.353 -1.601 -9.530 1.00 0.00 C ATOM 1304 CE LYS A 90 6.556 -2.075 -10.735 1.00 0.00 C ATOM 1305 NZ LYS A 90 6.987 -1.398 -11.990 1.00 0.00 N ATOM 0 H LYS A 90 7.577 -3.652 -5.084 1.00 0.00 H new ATOM 0 HA LYS A 90 9.311 -2.062 -6.818 1.00 0.00 H new ATOM 0 HB2 LYS A 90 6.402 -2.679 -6.574 1.00 0.00 H new ATOM 0 HB3 LYS A 90 6.804 -1.080 -7.167 1.00 0.00 H new ATOM 0 HG2 LYS A 90 8.406 -3.151 -8.481 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.688 -3.449 -8.661 1.00 0.00 H new ATOM 0 HD2 LYS A 90 6.893 -0.702 -9.119 1.00 0.00 H new ATOM 0 HD3 LYS A 90 8.361 -1.329 -9.843 1.00 0.00 H new ATOM 0 HE2 LYS A 90 6.673 -3.153 -10.846 1.00 0.00 H new ATOM 0 HE3 LYS A 90 5.496 -1.885 -10.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 6.419 -1.750 -12.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 6.852 -0.371 -11.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 7.992 -1.600 -12.166 1.00 0.00 H new ATOM 1319 N ILE A 91 8.217 -1.021 -3.997 1.00 0.00 N ATOM 1320 CA ILE A 91 8.199 0.096 -3.060 1.00 0.00 C ATOM 1321 C ILE A 91 9.607 0.431 -2.580 1.00 0.00 C ATOM 1322 O ILE A 91 10.294 -0.412 -2.004 1.00 0.00 O ATOM 1323 CB ILE A 91 7.311 -0.207 -1.837 1.00 0.00 C ATOM 1324 CG1 ILE A 91 5.933 -0.697 -2.284 1.00 0.00 C ATOM 1325 CG2 ILE A 91 7.178 1.030 -0.960 1.00 0.00 C ATOM 1326 CD1 ILE A 91 5.220 0.262 -3.212 1.00 0.00 C ATOM 0 H ILE A 91 8.056 -1.934 -3.571 1.00 0.00 H new ATOM 0 HA ILE A 91 7.785 0.951 -3.595 1.00 0.00 H new ATOM 0 HB ILE A 91 7.784 -0.997 -1.253 1.00 0.00 H new ATOM 0 HG12 ILE A 91 6.044 -1.659 -2.785 1.00 0.00 H new ATOM 0 HG13 ILE A 91 5.313 -0.865 -1.403 1.00 0.00 H new ATOM 0 HG21 ILE A 91 6.548 0.801 -0.100 1.00 0.00 H new ATOM 0 HG22 ILE A 91 8.165 1.339 -0.615 1.00 0.00 H new ATOM 0 HG23 ILE A 91 6.726 1.837 -1.536 1.00 0.00 H new ATOM 0 HD11 ILE A 91 4.250 -0.152 -3.487 1.00 0.00 H new ATOM 0 HD12 ILE A 91 5.077 1.218 -2.708 1.00 0.00 H new ATOM 0 HD13 ILE A 91 5.819 0.412 -4.110 1.00 0.00 H new ATOM 1338 N SER A 92 10.030 1.668 -2.821 1.00 0.00 N ATOM 1339 CA SER A 92 11.357 2.115 -2.412 1.00 0.00 C ATOM 1340 C SER A 92 11.264 3.359 -1.534 1.00 0.00 C ATOM 1341 O SER A 92 10.180 3.900 -1.318 1.00 0.00 O ATOM 1342 CB SER A 92 12.220 2.408 -3.639 1.00 0.00 C ATOM 1343 OG SER A 92 12.027 1.429 -4.645 1.00 0.00 O ATOM 0 H SER A 92 9.474 2.378 -3.297 1.00 0.00 H new ATOM 0 HA SER A 92 11.820 1.316 -1.833 1.00 0.00 H new ATOM 0 HB2 SER A 92 11.973 3.393 -4.034 1.00 0.00 H new ATOM 0 HB3 SER A 92 13.271 2.435 -3.350 1.00 0.00 H new ATOM 0 HG SER A 92 12.589 1.641 -5.419 1.00 0.00 H new ATOM 1349 N LYS A 93 12.409 3.806 -1.029 1.00 0.00 N ATOM 1350 CA LYS A 93 12.458 4.986 -0.173 1.00 0.00 C ATOM 1351 C LYS A 93 12.567 6.258 -1.009 1.00 0.00 C ATOM 1352 O LYS A 93 13.054 6.231 -2.139 1.00 0.00 O ATOM 1353 CB LYS A 93 13.641 4.891 0.792 1.00 0.00 C ATOM 1354 CG LYS A 93 13.334 5.421 2.184 1.00 0.00 C ATOM 1355 CD LYS A 93 14.600 5.864 2.901 1.00 0.00 C ATOM 1356 CE LYS A 93 14.280 6.588 4.198 1.00 0.00 C ATOM 1357 NZ LYS A 93 15.213 7.723 4.445 1.00 0.00 N ATOM 0 H LYS A 93 13.315 3.369 -1.198 1.00 0.00 H new ATOM 0 HA LYS A 93 11.533 5.029 0.402 1.00 0.00 H new ATOM 0 HB2 LYS A 93 13.954 3.850 0.869 1.00 0.00 H new ATOM 0 HB3 LYS A 93 14.483 5.446 0.378 1.00 0.00 H new ATOM 0 HG2 LYS A 93 12.643 6.261 2.111 1.00 0.00 H new ATOM 0 HG3 LYS A 93 12.835 4.647 2.768 1.00 0.00 H new ATOM 0 HD2 LYS A 93 15.223 4.995 3.112 1.00 0.00 H new ATOM 0 HD3 LYS A 93 15.178 6.520 2.250 1.00 0.00 H new ATOM 0 HE2 LYS A 93 13.256 6.961 4.163 1.00 0.00 H new ATOM 0 HE3 LYS A 93 14.335 5.885 5.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 14.961 8.191 5.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 16.188 7.365 4.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 15.142 8.407 3.665 1.00 0.00 H new ATOM 1371 N LEU A 94 12.110 7.371 -0.445 1.00 0.00 N ATOM 1372 CA LEU A 94 12.156 8.655 -1.137 1.00 0.00 C ATOM 1373 C LEU A 94 13.369 9.468 -0.697 1.00 0.00 C ATOM 1374 O LEU A 94 13.806 9.378 0.450 1.00 0.00 O ATOM 1375 CB LEU A 94 10.873 9.446 -0.872 1.00 0.00 C ATOM 1376 CG LEU A 94 10.741 10.748 -1.666 1.00 0.00 C ATOM 1377 CD1 LEU A 94 9.939 10.519 -2.937 1.00 0.00 C ATOM 1378 CD2 LEU A 94 10.092 11.828 -0.812 1.00 0.00 C ATOM 0 H LEU A 94 11.703 7.410 0.490 1.00 0.00 H new ATOM 0 HA LEU A 94 12.241 8.461 -2.206 1.00 0.00 H new ATOM 0 HB2 LEU A 94 10.018 8.810 -1.101 1.00 0.00 H new ATOM 0 HB3 LEU A 94 10.821 9.680 0.191 1.00 0.00 H new ATOM 0 HG LEU A 94 11.739 11.084 -1.946 1.00 0.00 H new ATOM 0 HD11 LEU A 94 9.856 11.456 -3.488 1.00 0.00 H new ATOM 0 HD12 LEU A 94 10.443 9.777 -3.556 1.00 0.00 H new ATOM 0 HD13 LEU A 94 8.943 10.160 -2.679 1.00 0.00 H new ATOM 0 HD21 LEU A 94 10.006 12.747 -1.392 1.00 0.00 H new ATOM 0 HD22 LEU A 94 9.100 11.500 -0.502 1.00 0.00 H new ATOM 0 HD23 LEU A 94 10.705 12.012 0.070 1.00 0.00 H new