USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 641 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 93 SER OG : rot 180:sc= -0.0736 USER MOD Set 1.2: A 94 HIS : no HD1:sc= -0.0805 X(o=-0.15,f=-0.3) USER MOD Set 2.1: A 25 ASN : amide:sc= -1.18 X(o=-1.2,f=-1.2) USER MOD Set 2.2: A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot -47:sc= 0.381 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -133:sc= -0.0661 (180deg=-4.25!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot -40:sc= -0.33 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.17) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl 155:sc= -8.69! (180deg=-11.5!) USER MOD Single : A 84 ASN : amide:sc= -0.108 K(o=-0.11,f=-0.68) USER MOD Single : A 91 GLN : amide:sc= -0.176 K(o=-0.18,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 164 N ARG A 12 12.532 -3.410 19.329 1.00 53.41 N ATOM 165 CA ARG A 12 12.498 -3.592 20.775 1.00 42.10 C ATOM 166 C ARG A 12 12.104 -2.296 21.477 1.00 1.23 C ATOM 167 O ARG A 12 11.228 -2.289 22.341 1.00 22.24 O ATOM 168 CB ARG A 12 13.862 -4.065 21.282 1.00 34.34 C ATOM 169 CG ARG A 12 13.841 -5.469 21.865 1.00 72.13 C ATOM 170 CD ARG A 12 15.086 -5.748 22.692 1.00 50.40 C ATOM 171 NE ARG A 12 14.820 -5.667 24.126 1.00 71.33 N ATOM 172 CZ ARG A 12 15.643 -6.143 25.054 1.00 73.24 C ATOM 173 NH1 ARG A 12 16.778 -6.730 24.700 1.00 51.31 N ATOM 174 NH2 ARG A 12 15.331 -6.032 26.339 1.00 72.24 N ATOM 0 HA ARG A 12 11.749 -4.351 21.004 1.00 42.10 H new ATOM 0 HB2 ARG A 12 14.577 -4.033 20.460 1.00 34.34 H new ATOM 0 HB3 ARG A 12 14.219 -3.370 22.042 1.00 34.34 H new ATOM 0 HG2 ARG A 12 12.955 -5.592 22.487 1.00 72.13 H new ATOM 0 HG3 ARG A 12 13.768 -6.198 21.058 1.00 72.13 H new ATOM 0 HD2 ARG A 12 15.467 -6.740 22.450 1.00 50.40 H new ATOM 0 HD3 ARG A 12 15.865 -5.033 22.427 1.00 50.40 H new ATOM 0 HE ARG A 12 13.955 -5.221 24.432 1.00 71.33 H new ATOM 0 HH11 ARG A 12 17.021 -6.817 23.713 1.00 51.31 H new ATOM 0 HH12 ARG A 12 17.408 -7.095 25.414 1.00 51.31 H new ATOM 0 HH21 ARG A 12 14.459 -5.581 26.615 1.00 72.24 H new ATOM 0 HH22 ARG A 12 15.963 -6.398 27.051 1.00 72.24 H new ATOM 188 N GLU A 13 12.758 -1.202 21.100 1.00 51.43 N ATOM 189 CA GLU A 13 12.476 0.099 21.695 1.00 40.41 C ATOM 190 C GLU A 13 11.090 0.593 21.291 1.00 13.44 C ATOM 191 O GLU A 13 10.515 1.463 21.945 1.00 53.21 O ATOM 192 CB GLU A 13 13.536 1.119 21.272 1.00 32.21 C ATOM 193 CG GLU A 13 14.489 1.505 22.390 1.00 22.05 C ATOM 194 CD GLU A 13 13.878 2.496 23.362 1.00 41.22 C ATOM 195 OE1 GLU A 13 12.784 3.019 23.065 1.00 54.24 O ATOM 196 OE2 GLU A 13 14.494 2.749 24.418 1.00 32.03 O ATOM 0 H GLU A 13 13.486 -1.191 20.386 1.00 51.43 H new ATOM 0 HA GLU A 13 12.502 -0.013 22.779 1.00 40.41 H new ATOM 0 HB2 GLU A 13 14.111 0.710 20.441 1.00 32.21 H new ATOM 0 HB3 GLU A 13 13.038 2.016 20.904 1.00 32.21 H new ATOM 0 HG2 GLU A 13 14.789 0.608 22.932 1.00 22.05 H new ATOM 0 HG3 GLU A 13 15.393 1.935 21.959 1.00 22.05 H new ATOM 203 N ALA A 14 10.560 0.032 20.210 1.00 52.25 N ATOM 204 CA ALA A 14 9.241 0.414 19.719 1.00 23.31 C ATOM 205 C ALA A 14 8.144 -0.071 20.660 1.00 31.32 C ATOM 206 O ALA A 14 7.192 0.656 20.948 1.00 61.23 O ATOM 207 CB ALA A 14 9.019 -0.137 18.318 1.00 25.22 C ATOM 0 H ALA A 14 11.023 -0.689 19.657 1.00 52.25 H new ATOM 0 HA ALA A 14 9.196 1.502 19.681 1.00 23.31 H new ATOM 0 HB1 ALA A 14 8.030 0.156 17.964 1.00 25.22 H new ATOM 0 HB2 ALA A 14 9.778 0.262 17.645 1.00 25.22 H new ATOM 0 HB3 ALA A 14 9.089 -1.225 18.339 1.00 25.22 H new ATOM 213 N LEU A 15 8.282 -1.304 21.137 1.00 52.42 N ATOM 214 CA LEU A 15 7.301 -1.887 22.046 1.00 40.51 C ATOM 215 C LEU A 15 7.281 -1.140 23.376 1.00 33.52 C ATOM 216 O LEU A 15 6.220 -0.925 23.963 1.00 35.14 O ATOM 217 CB LEU A 15 7.612 -3.366 22.282 1.00 14.44 C ATOM 218 CG LEU A 15 6.522 -4.176 22.985 1.00 73.34 C ATOM 219 CD1 LEU A 15 6.619 -4.008 24.493 1.00 43.22 C ATOM 220 CD2 LEU A 15 5.145 -3.761 22.488 1.00 74.33 C ATOM 0 H LEU A 15 9.063 -1.919 20.909 1.00 52.42 H new ATOM 0 HA LEU A 15 6.317 -1.798 21.586 1.00 40.51 H new ATOM 0 HB2 LEU A 15 7.819 -3.832 21.318 1.00 14.44 H new ATOM 0 HB3 LEU A 15 8.526 -3.435 22.872 1.00 14.44 H new ATOM 0 HG LEU A 15 6.670 -5.230 22.748 1.00 73.34 H new ATOM 0 HD11 LEU A 15 5.835 -4.592 24.975 1.00 43.22 H new ATOM 0 HD12 LEU A 15 7.594 -4.356 24.836 1.00 43.22 H new ATOM 0 HD13 LEU A 15 6.498 -2.956 24.750 1.00 43.22 H new ATOM 0 HD21 LEU A 15 4.382 -4.348 22.999 1.00 74.33 H new ATOM 0 HD22 LEU A 15 4.988 -2.702 22.694 1.00 74.33 H new ATOM 0 HD23 LEU A 15 5.078 -3.935 21.414 1.00 74.33 H new ATOM 232 N LEU A 16 8.459 -0.746 23.846 1.00 63.55 N ATOM 233 CA LEU A 16 8.577 -0.022 25.106 1.00 4.40 C ATOM 234 C LEU A 16 7.979 1.376 24.988 1.00 12.44 C ATOM 235 O LEU A 16 7.255 1.829 25.875 1.00 21.14 O ATOM 236 CB LEU A 16 10.045 0.073 25.527 1.00 50.31 C ATOM 237 CG LEU A 16 10.868 -1.208 25.387 1.00 53.15 C ATOM 238 CD1 LEU A 16 12.335 -0.935 25.680 1.00 33.13 C ATOM 239 CD2 LEU A 16 10.329 -2.291 26.310 1.00 64.22 C ATOM 0 H LEU A 16 9.347 -0.916 23.373 1.00 63.55 H new ATOM 0 HA LEU A 16 8.022 -0.572 25.866 1.00 4.40 H new ATOM 0 HB2 LEU A 16 10.522 0.854 24.935 1.00 50.31 H new ATOM 0 HB3 LEU A 16 10.084 0.394 26.568 1.00 50.31 H new ATOM 0 HG LEU A 16 10.785 -1.561 24.359 1.00 53.15 H new ATOM 0 HD11 LEU A 16 12.905 -1.858 25.575 1.00 33.13 H new ATOM 0 HD12 LEU A 16 12.714 -0.193 24.978 1.00 33.13 H new ATOM 0 HD13 LEU A 16 12.439 -0.558 26.697 1.00 33.13 H new ATOM 0 HD21 LEU A 16 10.927 -3.196 26.197 1.00 64.22 H new ATOM 0 HD22 LEU A 16 10.382 -1.948 27.343 1.00 64.22 H new ATOM 0 HD23 LEU A 16 9.292 -2.506 26.052 1.00 64.22 H new ATOM 251 N TRP A 17 8.284 2.054 23.888 1.00 60.02 N ATOM 252 CA TRP A 17 7.774 3.400 23.653 1.00 1.22 C ATOM 253 C TRP A 17 6.292 3.366 23.296 1.00 2.40 C ATOM 254 O TRP A 17 5.543 4.284 23.629 1.00 43.55 O ATOM 255 CB TRP A 17 8.566 4.080 22.535 1.00 74.23 C ATOM 256 CG TRP A 17 9.188 5.378 22.952 1.00 65.32 C ATOM 257 CD1 TRP A 17 8.629 6.337 23.746 1.00 0.33 C ATOM 258 CD2 TRP A 17 10.489 5.858 22.594 1.00 52.21 C ATOM 259 NE1 TRP A 17 9.503 7.386 23.904 1.00 64.51 N ATOM 260 CE2 TRP A 17 10.652 7.116 23.208 1.00 73.43 C ATOM 261 CE3 TRP A 17 11.532 5.348 21.817 1.00 41.13 C ATOM 262 CZ2 TRP A 17 11.815 7.868 23.066 1.00 72.22 C ATOM 263 CZ3 TRP A 17 12.686 6.096 21.677 1.00 74.14 C ATOM 264 CH2 TRP A 17 12.820 7.344 22.299 1.00 10.11 C ATOM 0 H TRP A 17 8.882 1.694 23.144 1.00 60.02 H new ATOM 0 HA TRP A 17 7.894 3.973 24.573 1.00 1.22 H new ATOM 0 HB2 TRP A 17 9.349 3.404 22.191 1.00 74.23 H new ATOM 0 HB3 TRP A 17 7.904 4.258 21.687 1.00 74.23 H new ATOM 0 HD1 TRP A 17 7.644 6.280 24.186 1.00 0.33 H new ATOM 0 HE1 TRP A 17 9.325 8.229 24.451 1.00 64.51 H new ATOM 0 HE3 TRP A 17 11.438 4.386 21.334 1.00 41.13 H new ATOM 0 HZ2 TRP A 17 11.920 8.831 23.544 1.00 72.22 H new ATOM 0 HZ3 TRP A 17 13.498 5.712 21.078 1.00 74.14 H new ATOM 0 HH2 TRP A 17 13.735 7.904 22.171 1.00 10.11 H new ATOM 275 N ALA A 18 5.876 2.302 22.617 1.00 14.44 N ATOM 276 CA ALA A 18 4.482 2.149 22.218 1.00 63.24 C ATOM 277 C ALA A 18 3.603 1.801 23.414 1.00 60.32 C ATOM 278 O ALA A 18 2.656 2.522 23.732 1.00 23.53 O ATOM 279 CB ALA A 18 4.357 1.082 21.140 1.00 40.22 C ATOM 0 H ALA A 18 6.484 1.534 22.332 1.00 14.44 H new ATOM 0 HA ALA A 18 4.139 3.101 21.814 1.00 63.24 H new ATOM 0 HB1 ALA A 18 3.311 0.978 20.851 1.00 40.22 H new ATOM 0 HB2 ALA A 18 4.947 1.372 20.270 1.00 40.22 H new ATOM 0 HB3 ALA A 18 4.724 0.131 21.525 1.00 40.22 H new ATOM 285 N LEU A 19 3.921 0.692 24.073 1.00 72.13 N ATOM 286 CA LEU A 19 3.159 0.247 25.235 1.00 52.34 C ATOM 287 C LEU A 19 3.042 1.363 26.269 1.00 62.44 C ATOM 288 O LEU A 19 2.098 1.394 27.058 1.00 4.42 O ATOM 289 CB LEU A 19 3.820 -0.980 25.864 1.00 44.11 C ATOM 290 CG LEU A 19 5.057 -0.710 26.722 1.00 12.11 C ATOM 291 CD1 LEU A 19 4.651 -0.262 28.117 1.00 14.54 C ATOM 292 CD2 LEU A 19 5.937 -1.949 26.793 1.00 5.14 C ATOM 0 H LEU A 19 4.701 0.084 23.823 1.00 72.13 H new ATOM 0 HA LEU A 19 2.156 -0.020 24.901 1.00 52.34 H new ATOM 0 HB2 LEU A 19 3.080 -1.491 26.480 1.00 44.11 H new ATOM 0 HB3 LEU A 19 4.099 -1.667 25.065 1.00 44.11 H new ATOM 0 HG LEU A 19 5.630 0.092 26.257 1.00 12.11 H new ATOM 0 HD11 LEU A 19 5.544 -0.075 28.713 1.00 14.54 H new ATOM 0 HD12 LEU A 19 4.062 0.653 28.048 1.00 14.54 H new ATOM 0 HD13 LEU A 19 4.056 -1.042 28.591 1.00 14.54 H new ATOM 0 HD21 LEU A 19 6.812 -1.739 27.407 1.00 5.14 H new ATOM 0 HD22 LEU A 19 5.373 -2.771 27.234 1.00 5.14 H new ATOM 0 HD23 LEU A 19 6.257 -2.226 25.789 1.00 5.14 H new ATOM 304 N SER A 20 4.007 2.277 26.256 1.00 14.23 N ATOM 305 CA SER A 20 4.013 3.394 27.194 1.00 61.10 C ATOM 306 C SER A 20 3.247 4.585 26.626 1.00 63.13 C ATOM 307 O SER A 20 2.856 5.493 27.360 1.00 73.54 O ATOM 308 CB SER A 20 5.450 3.806 27.520 1.00 61.53 C ATOM 309 OG SER A 20 5.936 4.749 26.581 1.00 53.24 O ATOM 0 H SER A 20 4.794 2.266 25.607 1.00 14.23 H new ATOM 0 HA SER A 20 3.519 3.070 28.110 1.00 61.10 H new ATOM 0 HB2 SER A 20 5.491 4.232 28.522 1.00 61.53 H new ATOM 0 HB3 SER A 20 6.093 2.926 27.522 1.00 61.53 H new ATOM 0 HG SER A 20 5.726 4.445 25.673 1.00 53.24 H new ATOM 315 N ASP A 21 3.038 4.574 25.314 1.00 71.10 N ATOM 316 CA ASP A 21 2.318 5.652 24.646 1.00 63.15 C ATOM 317 C ASP A 21 0.816 5.528 24.878 1.00 74.34 C ATOM 318 O ASP A 21 0.030 6.332 24.375 1.00 43.54 O ATOM 319 CB ASP A 21 2.618 5.641 23.146 1.00 71.43 C ATOM 320 CG ASP A 21 3.299 6.913 22.682 1.00 51.22 C ATOM 321 OD1 ASP A 21 2.590 7.915 22.451 1.00 31.31 O ATOM 322 OD2 ASP A 21 4.541 6.907 22.549 1.00 52.34 O ATOM 0 H ASP A 21 3.357 3.831 24.692 1.00 71.10 H new ATOM 0 HA ASP A 21 2.655 6.598 25.069 1.00 63.15 H new ATOM 0 HB2 ASP A 21 3.253 4.786 22.912 1.00 71.43 H new ATOM 0 HB3 ASP A 21 1.688 5.508 22.593 1.00 71.43 H new ATOM 327 N LEU A 22 0.422 4.514 25.641 1.00 11.51 N ATOM 328 CA LEU A 22 -0.987 4.284 25.939 1.00 33.24 C ATOM 329 C LEU A 22 -1.233 4.288 27.445 1.00 60.32 C ATOM 330 O LEU A 22 -0.310 4.091 28.234 1.00 4.20 O ATOM 331 CB LEU A 22 -1.445 2.953 25.340 1.00 65.20 C ATOM 332 CG LEU A 22 -0.363 1.884 25.174 1.00 11.53 C ATOM 333 CD1 LEU A 22 -0.810 0.572 25.799 1.00 64.44 C ATOM 334 CD2 LEU A 22 -0.026 1.690 23.703 1.00 13.31 C ATOM 0 H LEU A 22 1.058 3.838 26.064 1.00 11.51 H new ATOM 0 HA LEU A 22 -1.564 5.094 25.493 1.00 33.24 H new ATOM 0 HB2 LEU A 22 -2.236 2.546 25.971 1.00 65.20 H new ATOM 0 HB3 LEU A 22 -1.886 3.150 24.363 1.00 65.20 H new ATOM 0 HG LEU A 22 0.536 2.220 25.690 1.00 11.53 H new ATOM 0 HD11 LEU A 22 -0.028 -0.177 25.672 1.00 64.44 H new ATOM 0 HD12 LEU A 22 -1.000 0.721 26.862 1.00 64.44 H new ATOM 0 HD13 LEU A 22 -1.723 0.230 25.312 1.00 64.44 H new ATOM 0 HD21 LEU A 22 0.745 0.926 23.604 1.00 13.31 H new ATOM 0 HD22 LEU A 22 -0.919 1.376 23.163 1.00 13.31 H new ATOM 0 HD23 LEU A 22 0.338 2.629 23.286 1.00 13.31 H new ATOM 346 N GLU A 23 -2.484 4.511 27.835 1.00 73.45 N ATOM 347 CA GLU A 23 -2.851 4.538 29.246 1.00 43.33 C ATOM 348 C GLU A 23 -2.837 3.132 29.839 1.00 51.40 C ATOM 349 O GLU A 23 -3.071 2.150 29.137 1.00 75.43 O ATOM 350 CB GLU A 23 -4.235 5.166 29.424 1.00 61.52 C ATOM 351 CG GLU A 23 -4.260 6.665 29.177 1.00 31.43 C ATOM 352 CD GLU A 23 -5.643 7.261 29.352 1.00 52.33 C ATOM 353 OE1 GLU A 23 -6.525 6.970 28.518 1.00 74.43 O ATOM 354 OE2 GLU A 23 -5.843 8.020 30.323 1.00 1.33 O ATOM 0 H GLU A 23 -3.260 4.676 27.194 1.00 73.45 H new ATOM 0 HA GLU A 23 -2.115 5.143 29.775 1.00 43.33 H new ATOM 0 HB2 GLU A 23 -4.934 4.682 28.742 1.00 61.52 H new ATOM 0 HB3 GLU A 23 -4.587 4.967 30.436 1.00 61.52 H new ATOM 0 HG2 GLU A 23 -3.568 7.154 29.863 1.00 31.43 H new ATOM 0 HG3 GLU A 23 -3.905 6.869 28.167 1.00 31.43 H new ATOM 361 N GLU A 24 -2.560 3.047 31.136 1.00 33.54 N ATOM 362 CA GLU A 24 -2.515 1.761 31.824 1.00 43.34 C ATOM 363 C GLU A 24 -3.857 1.043 31.724 1.00 15.23 C ATOM 364 O GLU A 24 -3.915 -0.185 31.690 1.00 32.11 O ATOM 365 CB GLU A 24 -2.136 1.957 33.293 1.00 20.22 C ATOM 366 CG GLU A 24 -3.187 2.701 34.099 1.00 54.21 C ATOM 367 CD GLU A 24 -4.231 1.775 34.693 1.00 41.11 C ATOM 368 OE1 GLU A 24 -4.154 0.555 34.439 1.00 63.33 O ATOM 369 OE2 GLU A 24 -5.124 2.270 35.411 1.00 13.11 O ATOM 0 H GLU A 24 -2.364 3.852 31.731 1.00 33.54 H new ATOM 0 HA GLU A 24 -1.757 1.145 31.340 1.00 43.34 H new ATOM 0 HB2 GLU A 24 -1.964 0.982 33.748 1.00 20.22 H new ATOM 0 HB3 GLU A 24 -1.195 2.504 33.347 1.00 20.22 H new ATOM 0 HG2 GLU A 24 -2.699 3.255 34.901 1.00 54.21 H new ATOM 0 HG3 GLU A 24 -3.679 3.434 33.459 1.00 54.21 H new ATOM 376 N ASN A 25 -4.935 1.820 31.679 1.00 72.21 N ATOM 377 CA ASN A 25 -6.278 1.259 31.585 1.00 71.22 C ATOM 378 C ASN A 25 -6.556 0.746 30.175 1.00 63.00 C ATOM 379 O ASN A 25 -7.676 0.345 29.859 1.00 62.52 O ATOM 380 CB ASN A 25 -7.321 2.310 31.972 1.00 64.41 C ATOM 381 CG ASN A 25 -8.329 1.782 32.974 1.00 21.21 C ATOM 382 OD1 ASN A 25 -9.526 1.721 32.693 1.00 30.55 O ATOM 383 ND2 ASN A 25 -7.848 1.398 34.151 1.00 61.22 N ATOM 0 H ASN A 25 -4.904 2.839 31.706 1.00 72.21 H new ATOM 0 HA ASN A 25 -6.343 0.420 32.278 1.00 71.22 H new ATOM 0 HB2 ASN A 25 -6.817 3.181 32.392 1.00 64.41 H new ATOM 0 HB3 ASN A 25 -7.844 2.646 31.077 1.00 64.41 H new ATOM 0 HD21 ASN A 25 -8.479 1.035 34.866 1.00 61.22 H new ATOM 0 HD22 ASN A 25 -6.848 1.466 34.340 1.00 61.22 H new ATOM 390 N ASP A 26 -5.529 0.762 29.333 1.00 64.03 N ATOM 391 CA ASP A 26 -5.661 0.297 27.957 1.00 42.12 C ATOM 392 C ASP A 26 -4.825 -0.958 27.725 1.00 51.24 C ATOM 393 O ASP A 26 -5.338 -1.985 27.279 1.00 15.45 O ATOM 394 CB ASP A 26 -5.235 1.396 26.982 1.00 73.14 C ATOM 395 CG ASP A 26 -6.197 2.568 26.974 1.00 31.24 C ATOM 396 OD1 ASP A 26 -7.118 2.584 27.817 1.00 0.14 O ATOM 397 OD2 ASP A 26 -6.029 3.468 26.125 1.00 15.21 O ATOM 0 H ASP A 26 -4.596 1.092 29.579 1.00 64.03 H new ATOM 0 HA ASP A 26 -6.708 0.052 27.781 1.00 42.12 H new ATOM 0 HB2 ASP A 26 -4.239 1.749 27.250 1.00 73.14 H new ATOM 0 HB3 ASP A 26 -5.166 0.979 25.977 1.00 73.14 H new ATOM 402 N PHE A 27 -3.534 -0.868 28.028 1.00 55.41 N ATOM 403 CA PHE A 27 -2.627 -1.995 27.850 1.00 3.04 C ATOM 404 C PHE A 27 -3.076 -3.191 28.684 1.00 22.42 C ATOM 405 O PHE A 27 -3.200 -4.306 28.176 1.00 55.21 O ATOM 406 CB PHE A 27 -1.201 -1.595 28.237 1.00 34.45 C ATOM 407 CG PHE A 27 -0.271 -2.765 28.387 1.00 2.35 C ATOM 408 CD1 PHE A 27 -0.144 -3.414 29.605 1.00 70.42 C ATOM 409 CD2 PHE A 27 0.477 -3.215 27.311 1.00 12.32 C ATOM 410 CE1 PHE A 27 0.712 -4.490 29.746 1.00 62.14 C ATOM 411 CE2 PHE A 27 1.334 -4.290 27.446 1.00 64.31 C ATOM 412 CZ PHE A 27 1.451 -4.929 28.665 1.00 64.44 C ATOM 0 H PHE A 27 -3.093 -0.026 28.398 1.00 55.41 H new ATOM 0 HA PHE A 27 -2.644 -2.281 26.798 1.00 3.04 H new ATOM 0 HB2 PHE A 27 -0.803 -0.919 27.480 1.00 34.45 H new ATOM 0 HB3 PHE A 27 -1.229 -1.041 29.175 1.00 34.45 H new ATOM 0 HD1 PHE A 27 -0.720 -3.075 30.453 1.00 70.42 H new ATOM 0 HD2 PHE A 27 0.389 -2.719 26.355 1.00 12.32 H new ATOM 0 HE1 PHE A 27 0.803 -4.987 30.701 1.00 62.14 H new ATOM 0 HE2 PHE A 27 1.912 -4.630 26.599 1.00 64.31 H new ATOM 0 HZ PHE A 27 2.119 -5.771 28.773 1.00 64.44 H new ATOM 422 N LYS A 28 -3.317 -2.952 29.969 1.00 60.42 N ATOM 423 CA LYS A 28 -3.753 -4.008 30.875 1.00 2.03 C ATOM 424 C LYS A 28 -5.005 -4.698 30.344 1.00 30.44 C ATOM 425 O LYS A 28 -5.113 -5.924 30.379 1.00 64.43 O ATOM 426 CB LYS A 28 -4.026 -3.433 32.267 1.00 42.10 C ATOM 427 CG LYS A 28 -2.901 -2.560 32.796 1.00 40.02 C ATOM 428 CD LYS A 28 -1.855 -3.382 33.529 1.00 24.32 C ATOM 429 CE LYS A 28 -2.383 -3.898 34.859 1.00 4.22 C ATOM 430 NZ LYS A 28 -2.108 -5.350 35.039 1.00 35.44 N ATOM 0 H LYS A 28 -3.218 -2.036 30.406 1.00 60.42 H new ATOM 0 HA LYS A 28 -2.954 -4.746 30.944 1.00 2.03 H new ATOM 0 HB2 LYS A 28 -4.945 -2.847 32.235 1.00 42.10 H new ATOM 0 HB3 LYS A 28 -4.195 -4.254 32.963 1.00 42.10 H new ATOM 0 HG2 LYS A 28 -2.432 -2.028 31.968 1.00 40.02 H new ATOM 0 HG3 LYS A 28 -3.310 -1.806 33.469 1.00 40.02 H new ATOM 0 HD2 LYS A 28 -1.550 -4.223 32.906 1.00 24.32 H new ATOM 0 HD3 LYS A 28 -0.967 -2.774 33.700 1.00 24.32 H new ATOM 0 HE2 LYS A 28 -1.924 -3.338 35.674 1.00 4.22 H new ATOM 0 HE3 LYS A 28 -3.457 -3.722 34.916 1.00 4.22 H new ATOM 0 HZ1 LYS A 28 -2.483 -5.663 35.957 1.00 35.44 H new ATOM 0 HZ2 LYS A 28 -2.567 -5.887 34.276 1.00 35.44 H new ATOM 0 HZ3 LYS A 28 -1.082 -5.515 35.010 1.00 35.44 H new ATOM 444 N LYS A 29 -5.950 -3.904 29.852 1.00 5.12 N ATOM 445 CA LYS A 29 -7.194 -4.438 29.311 1.00 43.11 C ATOM 446 C LYS A 29 -6.915 -5.483 28.235 1.00 1.13 C ATOM 447 O LYS A 29 -7.664 -6.449 28.085 1.00 53.23 O ATOM 448 CB LYS A 29 -8.048 -3.308 28.730 1.00 24.44 C ATOM 449 CG LYS A 29 -8.865 -2.566 29.774 1.00 71.25 C ATOM 450 CD LYS A 29 -8.044 -2.267 31.017 1.00 62.45 C ATOM 451 CE LYS A 29 -8.825 -1.423 32.011 1.00 14.12 C ATOM 452 NZ LYS A 29 -8.337 -1.614 33.405 1.00 2.40 N ATOM 0 H LYS A 29 -5.878 -2.887 29.817 1.00 5.12 H new ATOM 0 HA LYS A 29 -7.739 -4.916 30.125 1.00 43.11 H new ATOM 0 HB2 LYS A 29 -7.398 -2.599 28.218 1.00 24.44 H new ATOM 0 HB3 LYS A 29 -8.722 -3.722 27.980 1.00 24.44 H new ATOM 0 HG2 LYS A 29 -9.237 -1.633 29.350 1.00 71.25 H new ATOM 0 HG3 LYS A 29 -9.736 -3.162 30.047 1.00 71.25 H new ATOM 0 HD2 LYS A 29 -7.743 -3.202 31.489 1.00 62.45 H new ATOM 0 HD3 LYS A 29 -7.130 -1.745 30.734 1.00 62.45 H new ATOM 0 HE2 LYS A 29 -8.742 -0.371 31.738 1.00 14.12 H new ATOM 0 HE3 LYS A 29 -9.882 -1.684 31.957 1.00 14.12 H new ATOM 0 HZ1 LYS A 29 -8.895 -1.021 34.052 1.00 2.40 H new ATOM 0 HZ2 LYS A 29 -8.440 -2.613 33.675 1.00 2.40 H new ATOM 0 HZ3 LYS A 29 -7.335 -1.341 33.463 1.00 2.40 H new ATOM 466 N LEU A 30 -5.833 -5.285 27.491 1.00 43.42 N ATOM 467 CA LEU A 30 -5.454 -6.211 26.430 1.00 62.24 C ATOM 468 C LEU A 30 -4.820 -7.472 27.008 1.00 33.34 C ATOM 469 O LEU A 30 -5.254 -8.588 26.719 1.00 53.52 O ATOM 470 CB LEU A 30 -4.481 -5.537 25.460 1.00 35.11 C ATOM 471 CG LEU A 30 -4.600 -4.017 25.339 1.00 72.43 C ATOM 472 CD1 LEU A 30 -3.635 -3.489 24.289 1.00 10.21 C ATOM 473 CD2 LEU A 30 -6.029 -3.619 25.000 1.00 35.53 C ATOM 0 H LEU A 30 -5.202 -4.491 27.603 1.00 43.42 H new ATOM 0 HA LEU A 30 -6.358 -6.495 25.890 1.00 62.24 H new ATOM 0 HB2 LEU A 30 -3.464 -5.778 25.770 1.00 35.11 H new ATOM 0 HB3 LEU A 30 -4.625 -5.973 24.471 1.00 35.11 H new ATOM 0 HG LEU A 30 -4.339 -3.573 26.300 1.00 72.43 H new ATOM 0 HD11 LEU A 30 -3.733 -2.406 24.216 1.00 10.21 H new ATOM 0 HD12 LEU A 30 -2.614 -3.742 24.573 1.00 10.21 H new ATOM 0 HD13 LEU A 30 -3.865 -3.940 23.324 1.00 10.21 H new ATOM 0 HD21 LEU A 30 -6.095 -2.534 24.918 1.00 35.53 H new ATOM 0 HD22 LEU A 30 -6.318 -4.073 24.052 1.00 35.53 H new ATOM 0 HD23 LEU A 30 -6.699 -3.965 25.787 1.00 35.53 H new ATOM 485 N LYS A 31 -3.792 -7.288 27.830 1.00 73.23 N ATOM 486 CA LYS A 31 -3.100 -8.410 28.453 1.00 11.12 C ATOM 487 C LYS A 31 -4.055 -9.224 29.321 1.00 64.14 C ATOM 488 O LYS A 31 -3.852 -10.420 29.530 1.00 60.42 O ATOM 489 CB LYS A 31 -1.929 -7.906 29.300 1.00 63.35 C ATOM 490 CG LYS A 31 -0.850 -7.207 28.491 1.00 54.55 C ATOM 491 CD LYS A 31 -0.220 -8.143 27.474 1.00 63.41 C ATOM 492 CE LYS A 31 0.490 -7.373 26.371 1.00 4.13 C ATOM 493 NZ LYS A 31 -0.441 -6.474 25.634 1.00 22.34 N ATOM 0 H LYS A 31 -3.420 -6.372 28.080 1.00 73.23 H new ATOM 0 HA LYS A 31 -2.718 -9.054 27.661 1.00 11.12 H new ATOM 0 HB2 LYS A 31 -2.308 -7.218 30.056 1.00 63.35 H new ATOM 0 HB3 LYS A 31 -1.485 -8.749 29.830 1.00 63.35 H new ATOM 0 HG2 LYS A 31 -1.279 -6.347 27.978 1.00 54.55 H new ATOM 0 HG3 LYS A 31 -0.080 -6.826 29.162 1.00 54.55 H new ATOM 0 HD2 LYS A 31 0.490 -8.801 27.975 1.00 63.41 H new ATOM 0 HD3 LYS A 31 -0.990 -8.779 27.037 1.00 63.41 H new ATOM 0 HE2 LYS A 31 1.299 -6.783 26.803 1.00 4.13 H new ATOM 0 HE3 LYS A 31 0.945 -8.075 25.673 1.00 4.13 H new ATOM 0 HZ1 LYS A 31 -0.299 -6.591 24.610 1.00 22.34 H new ATOM 0 HZ2 LYS A 31 -1.423 -6.717 25.877 1.00 22.34 H new ATOM 0 HZ3 LYS A 31 -0.253 -5.486 25.899 1.00 22.34 H new ATOM 507 N PHE A 32 -5.096 -8.569 29.822 1.00 53.20 N ATOM 508 CA PHE A 32 -6.083 -9.232 30.666 1.00 22.44 C ATOM 509 C PHE A 32 -6.877 -10.263 29.868 1.00 2.55 C ATOM 510 O PHE A 32 -7.040 -11.405 30.298 1.00 53.11 O ATOM 511 CB PHE A 32 -7.034 -8.204 31.281 1.00 2.53 C ATOM 512 CG PHE A 32 -7.769 -8.713 32.488 1.00 2.32 C ATOM 513 CD1 PHE A 32 -7.083 -9.037 33.648 1.00 42.23 C ATOM 514 CD2 PHE A 32 -9.145 -8.867 32.463 1.00 15.34 C ATOM 515 CE1 PHE A 32 -7.757 -9.506 34.759 1.00 22.32 C ATOM 516 CE2 PHE A 32 -9.825 -9.335 33.572 1.00 21.42 C ATOM 517 CZ PHE A 32 -9.130 -9.655 34.722 1.00 45.41 C ATOM 0 H PHE A 32 -5.278 -7.579 29.658 1.00 53.20 H new ATOM 0 HA PHE A 32 -5.551 -9.748 31.466 1.00 22.44 H new ATOM 0 HB2 PHE A 32 -6.466 -7.316 31.559 1.00 2.53 H new ATOM 0 HB3 PHE A 32 -7.759 -7.895 30.528 1.00 2.53 H new ATOM 0 HD1 PHE A 32 -6.010 -8.922 33.684 1.00 42.23 H new ATOM 0 HD2 PHE A 32 -9.693 -8.619 31.566 1.00 15.34 H new ATOM 0 HE1 PHE A 32 -7.211 -9.756 35.656 1.00 22.32 H new ATOM 0 HE2 PHE A 32 -10.898 -9.450 33.539 1.00 21.42 H new ATOM 0 HZ PHE A 32 -9.659 -10.021 35.590 1.00 45.41 H new ATOM 527 N TYR A 33 -7.368 -9.850 28.706 1.00 54.15 N ATOM 528 CA TYR A 33 -8.148 -10.735 27.848 1.00 11.22 C ATOM 529 C TYR A 33 -7.257 -11.415 26.813 1.00 30.14 C ATOM 530 O TYR A 33 -7.226 -12.642 26.714 1.00 73.53 O ATOM 531 CB TYR A 33 -9.258 -9.951 27.145 1.00 2.05 C ATOM 532 CG TYR A 33 -10.484 -10.781 26.839 1.00 52.53 C ATOM 533 CD1 TYR A 33 -11.195 -11.408 27.854 1.00 24.33 C ATOM 534 CD2 TYR A 33 -10.933 -10.936 25.533 1.00 41.32 C ATOM 535 CE1 TYR A 33 -12.315 -12.168 27.578 1.00 0.23 C ATOM 536 CE2 TYR A 33 -12.053 -11.692 25.248 1.00 73.14 C ATOM 537 CZ TYR A 33 -12.740 -12.306 26.274 1.00 75.54 C ATOM 538 OH TYR A 33 -13.857 -13.061 25.995 1.00 41.03 O ATOM 0 H TYR A 33 -7.240 -8.908 28.336 1.00 54.15 H new ATOM 0 HA TYR A 33 -8.597 -11.504 28.476 1.00 11.22 H new ATOM 0 HB2 TYR A 33 -9.548 -9.107 27.771 1.00 2.05 H new ATOM 0 HB3 TYR A 33 -8.867 -9.539 26.215 1.00 2.05 H new ATOM 0 HD1 TYR A 33 -10.866 -11.299 28.877 1.00 24.33 H new ATOM 0 HD2 TYR A 33 -10.397 -10.457 24.727 1.00 41.32 H new ATOM 0 HE1 TYR A 33 -12.854 -12.651 28.379 1.00 0.23 H new ATOM 0 HE2 TYR A 33 -12.389 -11.802 24.227 1.00 73.14 H new ATOM 0 HH TYR A 33 -14.022 -13.056 25.029 1.00 41.03 H new ATOM 548 N LEU A 34 -6.532 -10.609 26.045 1.00 34.23 N ATOM 549 CA LEU A 34 -5.639 -11.131 25.017 1.00 23.43 C ATOM 550 C LEU A 34 -4.686 -12.170 25.601 1.00 42.15 C ATOM 551 O LEU A 34 -4.677 -13.326 25.177 1.00 42.32 O ATOM 552 CB LEU A 34 -4.841 -9.992 24.380 1.00 34.00 C ATOM 553 CG LEU A 34 -5.663 -8.841 23.798 1.00 72.40 C ATOM 554 CD1 LEU A 34 -4.907 -8.166 22.664 1.00 14.44 C ATOM 555 CD2 LEU A 34 -7.016 -9.343 23.315 1.00 71.32 C ATOM 0 H LEU A 34 -6.545 -9.591 26.115 1.00 34.23 H new ATOM 0 HA LEU A 34 -6.248 -11.612 24.251 1.00 23.43 H new ATOM 0 HB2 LEU A 34 -4.164 -9.585 25.131 1.00 34.00 H new ATOM 0 HB3 LEU A 34 -4.222 -10.409 23.585 1.00 34.00 H new ATOM 0 HG LEU A 34 -5.831 -8.105 24.584 1.00 72.40 H new ATOM 0 HD11 LEU A 34 -5.507 -7.350 22.262 1.00 14.44 H new ATOM 0 HD12 LEU A 34 -3.963 -7.772 23.040 1.00 14.44 H new ATOM 0 HD13 LEU A 34 -4.708 -8.892 21.876 1.00 14.44 H new ATOM 0 HD21 LEU A 34 -7.587 -8.511 22.904 1.00 71.32 H new ATOM 0 HD22 LEU A 34 -6.869 -10.099 22.543 1.00 71.32 H new ATOM 0 HD23 LEU A 34 -7.562 -9.780 24.151 1.00 71.32 H new ATOM 567 N ARG A 35 -3.887 -11.750 26.576 1.00 23.41 N ATOM 568 CA ARG A 35 -2.931 -12.644 27.218 1.00 21.44 C ATOM 569 C ARG A 35 -3.644 -13.828 27.866 1.00 63.24 C ATOM 570 O ARG A 35 -3.078 -14.915 27.989 1.00 41.43 O ATOM 571 CB ARG A 35 -2.119 -11.887 28.271 1.00 51.23 C ATOM 572 CG ARG A 35 -0.622 -12.131 28.177 1.00 42.12 C ATOM 573 CD ARG A 35 0.035 -12.101 29.548 1.00 14.42 C ATOM 574 NE ARG A 35 0.595 -10.788 29.858 1.00 61.02 N ATOM 575 CZ ARG A 35 1.604 -10.600 30.701 1.00 20.11 C ATOM 576 NH1 ARG A 35 2.161 -11.635 31.315 1.00 35.03 N ATOM 577 NH2 ARG A 35 2.059 -9.375 30.931 1.00 13.12 N ATOM 0 H ARG A 35 -3.883 -10.797 26.939 1.00 23.41 H new ATOM 0 HA ARG A 35 -2.256 -13.023 26.451 1.00 21.44 H new ATOM 0 HB2 ARG A 35 -2.312 -10.819 28.168 1.00 51.23 H new ATOM 0 HB3 ARG A 35 -2.465 -12.179 29.263 1.00 51.23 H new ATOM 0 HG2 ARG A 35 -0.439 -13.097 27.706 1.00 42.12 H new ATOM 0 HG3 ARG A 35 -0.168 -11.373 27.538 1.00 42.12 H new ATOM 0 HD2 ARG A 35 -0.699 -12.371 30.308 1.00 14.42 H new ATOM 0 HD3 ARG A 35 0.825 -12.851 29.588 1.00 14.42 H new ATOM 0 HE ARG A 35 0.189 -9.971 29.402 1.00 61.02 H new ATOM 0 HH11 ARG A 35 1.815 -12.578 31.140 1.00 35.03 H new ATOM 0 HH12 ARG A 35 2.936 -11.488 31.962 1.00 35.03 H new ATOM 0 HH21 ARG A 35 1.634 -8.576 30.460 1.00 13.12 H new ATOM 0 HH22 ARG A 35 2.834 -9.232 31.579 1.00 13.12 H new ATOM 591 N ASP A 36 -4.888 -13.610 28.278 1.00 44.44 N ATOM 592 CA ASP A 36 -5.678 -14.658 28.912 1.00 73.12 C ATOM 593 C ASP A 36 -5.853 -15.849 27.975 1.00 62.23 C ATOM 594 O ASP A 36 -5.503 -16.978 28.318 1.00 4.21 O ATOM 595 CB ASP A 36 -7.047 -14.114 29.326 1.00 64.50 C ATOM 596 CG ASP A 36 -7.224 -14.079 30.831 1.00 2.42 C ATOM 597 OD1 ASP A 36 -6.229 -13.818 31.540 1.00 21.41 O ATOM 598 OD2 ASP A 36 -8.358 -14.310 31.300 1.00 4.13 O ATOM 0 H ASP A 36 -5.371 -12.716 28.184 1.00 44.44 H new ATOM 0 HA ASP A 36 -5.144 -14.994 29.801 1.00 73.12 H new ATOM 0 HB2 ASP A 36 -7.172 -13.108 28.925 1.00 64.50 H new ATOM 0 HB3 ASP A 36 -7.829 -14.732 28.885 1.00 64.50 H new ATOM 603 N MET A 37 -6.397 -15.589 26.791 1.00 73.24 N ATOM 604 CA MET A 37 -6.618 -16.640 25.804 1.00 30.31 C ATOM 605 C MET A 37 -5.400 -16.803 24.901 1.00 44.21 C ATOM 606 O MET A 37 -4.732 -17.837 24.921 1.00 23.33 O ATOM 607 CB MET A 37 -7.855 -16.326 24.960 1.00 3.41 C ATOM 608 CG MET A 37 -8.421 -17.537 24.237 1.00 50.32 C ATOM 609 SD MET A 37 -10.193 -17.400 23.936 1.00 55.44 S ATOM 610 CE MET A 37 -10.316 -18.126 22.303 1.00 55.42 C ATOM 0 H MET A 37 -6.693 -14.660 26.491 1.00 73.24 H new ATOM 0 HA MET A 37 -6.780 -17.576 26.338 1.00 30.31 H new ATOM 0 HB2 MET A 37 -8.627 -15.904 25.604 1.00 3.41 H new ATOM 0 HB3 MET A 37 -7.600 -15.562 24.226 1.00 3.41 H new ATOM 0 HG2 MET A 37 -7.903 -17.662 23.286 1.00 50.32 H new ATOM 0 HG3 MET A 37 -8.225 -18.432 24.827 1.00 50.32 H new ATOM 0 HE1 MET A 37 -11.356 -18.114 21.977 1.00 55.42 H new ATOM 0 HE2 MET A 37 -9.709 -17.552 21.603 1.00 55.42 H new ATOM 0 HE3 MET A 37 -9.958 -19.155 22.334 1.00 55.42 H new ATOM 620 N THR A 38 -5.115 -15.774 24.108 1.00 63.41 N ATOM 621 CA THR A 38 -3.978 -15.804 23.196 1.00 21.04 C ATOM 622 C THR A 38 -2.732 -16.343 23.889 1.00 4.13 C ATOM 623 O THR A 38 -1.901 -17.007 23.267 1.00 1.35 O ATOM 624 CB THR A 38 -3.673 -14.403 22.633 1.00 60.31 C ATOM 625 OG1 THR A 38 -2.976 -13.623 23.611 1.00 40.05 O ATOM 626 CG2 THR A 38 -4.955 -13.692 22.229 1.00 53.41 C ATOM 0 H THR A 38 -5.656 -14.910 24.079 1.00 63.41 H new ATOM 0 HA THR A 38 -4.249 -16.467 22.374 1.00 21.04 H new ATOM 0 HB THR A 38 -3.047 -14.519 21.749 1.00 60.31 H new ATOM 0 HG1 THR A 38 -3.358 -13.792 24.497 1.00 40.05 H new ATOM 0 HG21 THR A 38 -4.715 -12.705 21.834 1.00 53.41 H new ATOM 0 HG22 THR A 38 -5.468 -14.274 21.463 1.00 53.41 H new ATOM 0 HG23 THR A 38 -5.603 -13.587 23.099 1.00 53.41 H new ATOM 634 N LEU A 39 -2.607 -16.055 25.180 1.00 3.50 N ATOM 635 CA LEU A 39 -1.461 -16.511 25.959 1.00 63.43 C ATOM 636 C LEU A 39 -1.913 -17.163 27.261 1.00 23.54 C ATOM 637 O LEU A 39 -3.104 -17.390 27.473 1.00 1.02 O ATOM 638 CB LEU A 39 -0.524 -15.340 26.259 1.00 21.15 C ATOM 639 CG LEU A 39 0.216 -14.748 25.060 1.00 45.40 C ATOM 640 CD1 LEU A 39 -0.059 -13.256 24.946 1.00 75.53 C ATOM 641 CD2 LEU A 39 1.711 -15.008 25.174 1.00 24.03 C ATOM 0 H LEU A 39 -3.285 -15.508 25.710 1.00 3.50 H new ATOM 0 HA LEU A 39 -0.925 -17.254 25.369 1.00 63.43 H new ATOM 0 HB2 LEU A 39 -1.105 -14.547 26.729 1.00 21.15 H new ATOM 0 HB3 LEU A 39 0.215 -15.670 26.990 1.00 21.15 H new ATOM 0 HG LEU A 39 -0.150 -15.235 24.156 1.00 45.40 H new ATOM 0 HD11 LEU A 39 0.476 -12.852 24.087 1.00 75.53 H new ATOM 0 HD12 LEU A 39 -1.129 -13.092 24.817 1.00 75.53 H new ATOM 0 HD13 LEU A 39 0.278 -12.754 25.853 1.00 75.53 H new ATOM 0 HD21 LEU A 39 2.222 -14.579 24.312 1.00 24.03 H new ATOM 0 HD22 LEU A 39 2.092 -14.549 26.086 1.00 24.03 H new ATOM 0 HD23 LEU A 39 1.892 -16.082 25.206 1.00 24.03 H new ATOM 784 N GLY A 49 -0.391 1.290 38.844 1.00 72.30 N ATOM 785 CA GLY A 49 1.044 1.368 39.044 1.00 41.34 C ATOM 786 C GLY A 49 1.804 0.381 38.180 1.00 4.32 C ATOM 787 O GLY A 49 3.034 0.342 38.208 1.00 50.11 O ATOM 0 HA2 GLY A 49 1.384 2.379 38.821 1.00 41.34 H new ATOM 0 HA3 GLY A 49 1.272 1.179 40.093 1.00 41.34 H new ATOM 791 N GLU A 50 1.071 -0.419 37.413 1.00 40.13 N ATOM 792 CA GLU A 50 1.685 -1.412 36.540 1.00 62.34 C ATOM 793 C GLU A 50 2.397 -0.741 35.368 1.00 33.41 C ATOM 794 O GLU A 50 3.551 -1.051 35.068 1.00 12.33 O ATOM 795 CB GLU A 50 0.628 -2.388 36.018 1.00 45.04 C ATOM 796 CG GLU A 50 1.150 -3.801 35.819 1.00 61.22 C ATOM 797 CD GLU A 50 1.320 -4.160 34.355 1.00 11.13 C ATOM 798 OE1 GLU A 50 1.621 -3.251 33.553 1.00 11.14 O ATOM 799 OE2 GLU A 50 1.152 -5.349 34.012 1.00 54.52 O ATOM 0 H GLU A 50 0.052 -0.399 37.378 1.00 40.13 H new ATOM 0 HA GLU A 50 2.423 -1.964 37.123 1.00 62.34 H new ATOM 0 HB2 GLU A 50 -0.208 -2.414 36.717 1.00 45.04 H new ATOM 0 HB3 GLU A 50 0.239 -2.016 35.070 1.00 45.04 H new ATOM 0 HG2 GLU A 50 2.108 -3.905 36.328 1.00 61.22 H new ATOM 0 HG3 GLU A 50 0.463 -4.507 36.285 1.00 61.22 H new ATOM 806 N LEU A 51 1.700 0.178 34.709 1.00 64.11 N ATOM 807 CA LEU A 51 2.264 0.893 33.569 1.00 1.33 C ATOM 808 C LEU A 51 2.831 2.242 34.000 1.00 51.45 C ATOM 809 O LEU A 51 3.961 2.588 33.658 1.00 4.21 O ATOM 810 CB LEU A 51 1.198 1.095 32.491 1.00 2.50 C ATOM 811 CG LEU A 51 1.715 1.429 31.091 1.00 74.11 C ATOM 812 CD1 LEU A 51 2.555 0.285 30.546 1.00 60.25 C ATOM 813 CD2 LEU A 51 0.555 1.735 30.154 1.00 44.31 C ATOM 0 H LEU A 51 0.744 0.446 34.944 1.00 64.11 H new ATOM 0 HA LEU A 51 3.076 0.292 33.159 1.00 1.33 H new ATOM 0 HB2 LEU A 51 0.597 0.188 32.428 1.00 2.50 H new ATOM 0 HB3 LEU A 51 0.533 1.897 32.812 1.00 2.50 H new ATOM 0 HG LEU A 51 2.346 2.316 31.158 1.00 74.11 H new ATOM 0 HD11 LEU A 51 2.914 0.540 29.549 1.00 60.25 H new ATOM 0 HD12 LEU A 51 3.406 0.112 31.205 1.00 60.25 H new ATOM 0 HD13 LEU A 51 1.948 -0.619 30.492 1.00 60.25 H new ATOM 0 HD21 LEU A 51 0.941 1.971 29.162 1.00 44.31 H new ATOM 0 HD22 LEU A 51 -0.101 0.867 30.091 1.00 44.31 H new ATOM 0 HD23 LEU A 51 -0.007 2.587 30.537 1.00 44.31 H new ATOM 825 N GLU A 52 2.038 2.999 34.752 1.00 22.23 N ATOM 826 CA GLU A 52 2.463 4.309 35.230 1.00 14.51 C ATOM 827 C GLU A 52 3.552 4.176 36.291 1.00 74.54 C ATOM 828 O GLU A 52 4.627 4.761 36.169 1.00 32.13 O ATOM 829 CB GLU A 52 1.270 5.079 35.802 1.00 2.02 C ATOM 830 CG GLU A 52 1.624 6.472 36.294 1.00 43.53 C ATOM 831 CD GLU A 52 2.414 7.268 35.273 1.00 51.24 C ATOM 832 OE1 GLU A 52 1.911 7.451 34.144 1.00 23.13 O ATOM 833 OE2 GLU A 52 3.535 7.708 35.603 1.00 42.43 O ATOM 0 H GLU A 52 1.099 2.728 35.043 1.00 22.23 H new ATOM 0 HA GLU A 52 2.871 4.861 34.383 1.00 14.51 H new ATOM 0 HB2 GLU A 52 0.499 5.159 35.036 1.00 2.02 H new ATOM 0 HB3 GLU A 52 0.842 4.509 36.627 1.00 2.02 H new ATOM 0 HG2 GLU A 52 0.708 7.010 36.539 1.00 43.53 H new ATOM 0 HG3 GLU A 52 2.203 6.392 37.214 1.00 43.53 H new ATOM 840 N GLY A 53 3.264 3.400 37.332 1.00 53.13 N ATOM 841 CA GLY A 53 4.227 3.203 38.399 1.00 1.30 C ATOM 842 C GLY A 53 5.533 2.618 37.900 1.00 5.13 C ATOM 843 O GLY A 53 6.597 3.213 38.079 1.00 23.34 O ATOM 0 H GLY A 53 2.381 2.905 37.455 1.00 53.13 H new ATOM 0 HA2 GLY A 53 4.423 4.157 38.888 1.00 1.30 H new ATOM 0 HA3 GLY A 53 3.800 2.541 39.152 1.00 1.30 H new ATOM 847 N LEU A 54 5.455 1.449 37.274 1.00 3.22 N ATOM 848 CA LEU A 54 6.641 0.782 36.749 1.00 24.30 C ATOM 849 C LEU A 54 7.054 1.380 35.408 1.00 3.22 C ATOM 850 O LEU A 54 6.554 2.431 35.006 1.00 2.23 O ATOM 851 CB LEU A 54 6.380 -0.717 36.592 1.00 31.35 C ATOM 852 CG LEU A 54 5.820 -1.433 37.822 1.00 21.03 C ATOM 853 CD1 LEU A 54 5.592 -2.907 37.525 1.00 43.14 C ATOM 854 CD2 LEU A 54 6.757 -1.265 39.010 1.00 63.55 C ATOM 0 H LEU A 54 4.583 0.944 37.118 1.00 3.22 H new ATOM 0 HA LEU A 54 7.455 0.931 37.459 1.00 24.30 H new ATOM 0 HB2 LEU A 54 5.684 -0.860 35.765 1.00 31.35 H new ATOM 0 HB3 LEU A 54 7.315 -1.201 36.309 1.00 31.35 H new ATOM 0 HG LEU A 54 4.860 -0.982 38.075 1.00 21.03 H new ATOM 0 HD11 LEU A 54 5.193 -3.399 38.412 1.00 43.14 H new ATOM 0 HD12 LEU A 54 4.882 -3.007 36.704 1.00 43.14 H new ATOM 0 HD13 LEU A 54 6.537 -3.372 37.246 1.00 43.14 H new ATOM 0 HD21 LEU A 54 6.343 -1.781 39.876 1.00 63.55 H new ATOM 0 HD22 LEU A 54 7.732 -1.689 38.767 1.00 63.55 H new ATOM 0 HD23 LEU A 54 6.869 -0.205 39.238 1.00 63.55 H new ATOM 866 N ILE A 55 7.967 0.703 34.720 1.00 5.31 N ATOM 867 CA ILE A 55 8.445 1.167 33.423 1.00 35.21 C ATOM 868 C ILE A 55 8.165 0.137 32.334 1.00 34.53 C ATOM 869 O ILE A 55 7.943 -1.044 32.604 1.00 31.12 O ATOM 870 CB ILE A 55 9.955 1.468 33.453 1.00 34.34 C ATOM 871 CG1 ILE A 55 10.723 0.274 34.023 1.00 65.32 C ATOM 872 CG2 ILE A 55 10.229 2.720 34.272 1.00 12.41 C ATOM 873 CD1 ILE A 55 12.188 0.560 34.270 1.00 41.23 C ATOM 0 H ILE A 55 8.391 -0.168 35.039 1.00 5.31 H new ATOM 0 HA ILE A 55 7.905 2.087 33.199 1.00 35.21 H new ATOM 0 HB ILE A 55 10.296 1.643 32.433 1.00 34.34 H new ATOM 0 HG12 ILE A 55 10.258 -0.033 34.960 1.00 65.32 H new ATOM 0 HG13 ILE A 55 10.636 -0.566 33.334 1.00 65.32 H new ATOM 0 HG21 ILE A 55 11.300 2.920 34.284 1.00 12.41 H new ATOM 0 HG22 ILE A 55 9.707 3.567 33.827 1.00 12.41 H new ATOM 0 HG23 ILE A 55 9.876 2.572 35.293 1.00 12.41 H new ATOM 0 HD11 ILE A 55 12.670 -0.331 34.674 1.00 41.23 H new ATOM 0 HD12 ILE A 55 12.668 0.838 33.332 1.00 41.23 H new ATOM 0 HD13 ILE A 55 12.284 1.379 34.983 1.00 41.23 H new ATOM 885 N PRO A 56 8.176 0.591 31.072 1.00 1.34 N ATOM 886 CA PRO A 56 7.928 -0.275 29.916 1.00 33.34 C ATOM 887 C PRO A 56 9.066 -1.261 29.675 1.00 0.24 C ATOM 888 O PRO A 56 8.834 -2.432 29.377 1.00 73.23 O ATOM 889 CB PRO A 56 7.818 0.711 28.751 1.00 64.01 C ATOM 890 CG PRO A 56 8.604 1.900 29.186 1.00 60.34 C ATOM 891 CD PRO A 56 8.433 1.986 30.677 1.00 1.30 C ATOM 0 HA PRO A 56 7.041 -0.894 30.053 1.00 33.34 H new ATOM 0 HB2 PRO A 56 8.221 0.285 27.832 1.00 64.01 H new ATOM 0 HB3 PRO A 56 6.779 0.974 28.552 1.00 64.01 H new ATOM 0 HG2 PRO A 56 9.655 1.792 28.919 1.00 60.34 H new ATOM 0 HG3 PRO A 56 8.243 2.806 28.699 1.00 60.34 H new ATOM 0 HD2 PRO A 56 9.325 2.383 31.162 1.00 1.30 H new ATOM 0 HD3 PRO A 56 7.605 2.640 30.949 1.00 1.30 H new ATOM 899 N VAL A 57 10.298 -0.779 29.808 1.00 51.14 N ATOM 900 CA VAL A 57 11.473 -1.618 29.606 1.00 72.23 C ATOM 901 C VAL A 57 11.515 -2.757 30.618 1.00 22.12 C ATOM 902 O VAL A 57 12.205 -3.756 30.415 1.00 22.35 O ATOM 903 CB VAL A 57 12.773 -0.800 29.716 1.00 51.55 C ATOM 904 CG1 VAL A 57 13.987 -1.703 29.562 1.00 3.42 C ATOM 905 CG2 VAL A 57 12.791 0.313 28.678 1.00 71.31 C ATOM 0 H VAL A 57 10.508 0.188 30.055 1.00 51.14 H new ATOM 0 HA VAL A 57 11.397 -2.032 28.600 1.00 72.23 H new ATOM 0 HB VAL A 57 12.813 -0.344 30.705 1.00 51.55 H new ATOM 0 HG11 VAL A 57 14.896 -1.107 29.643 1.00 3.42 H new ATOM 0 HG12 VAL A 57 13.979 -2.460 30.346 1.00 3.42 H new ATOM 0 HG13 VAL A 57 13.957 -2.190 28.587 1.00 3.42 H new ATOM 0 HG21 VAL A 57 13.717 0.881 28.770 1.00 71.31 H new ATOM 0 HG22 VAL A 57 12.728 -0.120 27.680 1.00 71.31 H new ATOM 0 HG23 VAL A 57 11.941 0.976 28.840 1.00 71.31 H new ATOM 915 N ASP A 58 10.773 -2.600 31.709 1.00 52.35 N ATOM 916 CA ASP A 58 10.724 -3.616 32.753 1.00 12.14 C ATOM 917 C ASP A 58 9.561 -4.576 32.523 1.00 31.15 C ATOM 918 O ASP A 58 9.758 -5.783 32.379 1.00 71.40 O ATOM 919 CB ASP A 58 10.594 -2.958 34.128 1.00 24.42 C ATOM 920 CG ASP A 58 10.722 -3.957 35.262 1.00 51.12 C ATOM 921 OD1 ASP A 58 11.090 -5.119 34.990 1.00 4.50 O ATOM 922 OD2 ASP A 58 10.452 -3.577 36.421 1.00 43.02 O ATOM 0 H ASP A 58 10.197 -1.778 31.893 1.00 52.35 H new ATOM 0 HA ASP A 58 11.653 -4.185 32.717 1.00 12.14 H new ATOM 0 HB2 ASP A 58 11.361 -2.191 34.235 1.00 24.42 H new ATOM 0 HB3 ASP A 58 9.629 -2.455 34.197 1.00 24.42 H new ATOM 927 N LEU A 59 8.349 -4.033 32.492 1.00 42.42 N ATOM 928 CA LEU A 59 7.153 -4.841 32.280 1.00 4.15 C ATOM 929 C LEU A 59 7.227 -5.585 30.951 1.00 21.31 C ATOM 930 O LEU A 59 6.757 -6.717 30.835 1.00 1.31 O ATOM 931 CB LEU A 59 5.904 -3.958 32.315 1.00 25.32 C ATOM 932 CG LEU A 59 5.077 -3.915 31.030 1.00 45.32 C ATOM 933 CD1 LEU A 59 3.648 -3.492 31.329 1.00 13.21 C ATOM 934 CD2 LEU A 59 5.714 -2.973 30.018 1.00 14.30 C ATOM 0 H LEU A 59 8.168 -3.036 32.611 1.00 42.42 H new ATOM 0 HA LEU A 59 7.094 -5.575 33.083 1.00 4.15 H new ATOM 0 HB2 LEU A 59 5.262 -4.303 33.125 1.00 25.32 H new ATOM 0 HB3 LEU A 59 6.209 -2.941 32.561 1.00 25.32 H new ATOM 0 HG LEU A 59 5.055 -4.917 30.601 1.00 45.32 H new ATOM 0 HD11 LEU A 59 3.074 -3.467 30.402 1.00 13.21 H new ATOM 0 HD12 LEU A 59 3.194 -4.205 32.018 1.00 13.21 H new ATOM 0 HD13 LEU A 59 3.649 -2.500 31.782 1.00 13.21 H new ATOM 0 HD21 LEU A 59 5.112 -2.954 29.109 1.00 14.30 H new ATOM 0 HD22 LEU A 59 5.767 -1.969 30.439 1.00 14.30 H new ATOM 0 HD23 LEU A 59 6.720 -3.320 29.780 1.00 14.30 H new ATOM 946 N ALA A 60 7.822 -4.943 29.951 1.00 1.14 N ATOM 947 CA ALA A 60 7.962 -5.546 28.632 1.00 55.44 C ATOM 948 C ALA A 60 8.803 -6.816 28.694 1.00 34.13 C ATOM 949 O ALA A 60 8.420 -7.851 28.150 1.00 20.33 O ATOM 950 CB ALA A 60 8.577 -4.550 27.659 1.00 20.32 C ATOM 0 H ALA A 60 8.215 -4.005 30.030 1.00 1.14 H new ATOM 0 HA ALA A 60 6.968 -5.818 28.277 1.00 55.44 H new ATOM 0 HB1 ALA A 60 8.676 -5.014 26.678 1.00 20.32 H new ATOM 0 HB2 ALA A 60 7.935 -3.672 27.583 1.00 20.32 H new ATOM 0 HB3 ALA A 60 9.561 -4.250 28.019 1.00 20.32 H new ATOM 956 N GLU A 61 9.950 -6.729 29.361 1.00 54.34 N ATOM 957 CA GLU A 61 10.845 -7.872 29.492 1.00 32.20 C ATOM 958 C GLU A 61 10.111 -9.073 30.082 1.00 74.14 C ATOM 959 O GLU A 61 10.410 -10.222 29.752 1.00 4.52 O ATOM 960 CB GLU A 61 12.044 -7.511 30.372 1.00 75.22 C ATOM 961 CG GLU A 61 13.189 -6.869 29.607 1.00 74.12 C ATOM 962 CD GLU A 61 14.318 -7.840 29.324 1.00 63.31 C ATOM 963 OE1 GLU A 61 14.060 -9.062 29.313 1.00 64.33 O ATOM 964 OE2 GLU A 61 15.459 -7.379 29.114 1.00 5.01 O ATOM 0 H GLU A 61 10.281 -5.879 29.818 1.00 54.34 H new ATOM 0 HA GLU A 61 11.201 -8.138 28.497 1.00 32.20 H new ATOM 0 HB2 GLU A 61 11.716 -6.830 31.157 1.00 75.22 H new ATOM 0 HB3 GLU A 61 12.408 -8.413 30.864 1.00 75.22 H new ATOM 0 HG2 GLU A 61 12.813 -6.470 28.665 1.00 74.12 H new ATOM 0 HG3 GLU A 61 13.575 -6.025 30.179 1.00 74.12 H new ATOM 971 N LEU A 62 9.148 -8.800 30.955 1.00 1.33 N ATOM 972 CA LEU A 62 8.370 -9.857 31.592 1.00 2.34 C ATOM 973 C LEU A 62 7.386 -10.478 30.606 1.00 23.44 C ATOM 974 O LEU A 62 7.256 -11.701 30.530 1.00 44.11 O ATOM 975 CB LEU A 62 7.616 -9.303 32.803 1.00 71.24 C ATOM 976 CG LEU A 62 6.411 -10.119 33.273 1.00 24.04 C ATOM 977 CD1 LEU A 62 6.411 -10.244 34.789 1.00 22.40 C ATOM 978 CD2 LEU A 62 5.116 -9.485 32.789 1.00 74.44 C ATOM 0 H LEU A 62 8.887 -7.856 31.238 1.00 1.33 H new ATOM 0 HA LEU A 62 9.060 -10.632 31.925 1.00 2.34 H new ATOM 0 HB2 LEU A 62 8.317 -9.215 33.633 1.00 71.24 H new ATOM 0 HB3 LEU A 62 7.277 -8.295 32.565 1.00 71.24 H new ATOM 0 HG LEU A 62 6.484 -11.119 32.846 1.00 24.04 H new ATOM 0 HD11 LEU A 62 5.547 -10.828 35.106 1.00 22.40 H new ATOM 0 HD12 LEU A 62 7.324 -10.743 35.113 1.00 22.40 H new ATOM 0 HD13 LEU A 62 6.362 -9.251 35.236 1.00 22.40 H new ATOM 0 HD21 LEU A 62 4.269 -10.079 33.133 1.00 74.44 H new ATOM 0 HD22 LEU A 62 5.035 -8.474 33.187 1.00 74.44 H new ATOM 0 HD23 LEU A 62 5.114 -9.447 31.700 1.00 74.44 H new ATOM 990 N LEU A 63 6.697 -9.630 29.852 1.00 10.31 N ATOM 991 CA LEU A 63 5.726 -10.095 28.868 1.00 32.51 C ATOM 992 C LEU A 63 6.393 -10.982 27.821 1.00 5.53 C ATOM 993 O LEU A 63 5.937 -12.093 27.553 1.00 61.32 O ATOM 994 CB LEU A 63 5.048 -8.905 28.188 1.00 44.42 C ATOM 995 CG LEU A 63 4.155 -9.234 26.991 1.00 21.23 C ATOM 996 CD1 LEU A 63 2.848 -9.856 27.457 1.00 74.14 C ATOM 997 CD2 LEU A 63 3.889 -7.985 26.164 1.00 0.23 C ATOM 0 H LEU A 63 6.793 -8.616 29.903 1.00 10.31 H new ATOM 0 HA LEU A 63 4.972 -10.685 29.390 1.00 32.51 H new ATOM 0 HB2 LEU A 63 4.446 -8.382 28.931 1.00 44.42 H new ATOM 0 HB3 LEU A 63 5.822 -8.211 27.859 1.00 44.42 H new ATOM 0 HG LEU A 63 4.674 -9.957 26.362 1.00 21.23 H new ATOM 0 HD11 LEU A 63 2.225 -10.084 26.592 1.00 74.14 H new ATOM 0 HD12 LEU A 63 3.057 -10.774 28.005 1.00 74.14 H new ATOM 0 HD13 LEU A 63 2.324 -9.156 28.108 1.00 74.14 H new ATOM 0 HD21 LEU A 63 3.252 -8.239 25.317 1.00 0.23 H new ATOM 0 HD22 LEU A 63 3.390 -7.239 26.782 1.00 0.23 H new ATOM 0 HD23 LEU A 63 4.834 -7.582 25.800 1.00 0.23 H new ATOM 1009 N ILE A 64 7.477 -10.483 27.235 1.00 14.34 N ATOM 1010 CA ILE A 64 8.209 -11.231 26.221 1.00 53.42 C ATOM 1011 C ILE A 64 8.642 -12.594 26.749 1.00 73.13 C ATOM 1012 O ILE A 64 8.749 -13.559 25.992 1.00 54.13 O ATOM 1013 CB ILE A 64 9.453 -10.460 25.741 1.00 13.43 C ATOM 1014 CG1 ILE A 64 10.382 -10.163 26.920 1.00 14.13 C ATOM 1015 CG2 ILE A 64 9.041 -9.170 25.046 1.00 24.15 C ATOM 1016 CD1 ILE A 64 11.774 -9.746 26.502 1.00 2.52 C ATOM 0 H ILE A 64 7.867 -9.564 27.445 1.00 14.34 H new ATOM 0 HA ILE A 64 7.530 -11.369 25.379 1.00 53.42 H new ATOM 0 HB ILE A 64 9.993 -11.080 25.025 1.00 13.43 H new ATOM 0 HG12 ILE A 64 9.942 -9.373 27.529 1.00 14.13 H new ATOM 0 HG13 ILE A 64 10.451 -11.050 27.550 1.00 14.13 H new ATOM 0 HG21 ILE A 64 9.931 -8.636 24.712 1.00 24.15 H new ATOM 0 HG22 ILE A 64 8.415 -9.404 24.185 1.00 24.15 H new ATOM 0 HG23 ILE A 64 8.482 -8.544 25.742 1.00 24.15 H new ATOM 0 HD11 ILE A 64 12.377 -9.552 27.389 1.00 2.52 H new ATOM 0 HD12 ILE A 64 12.233 -10.544 25.919 1.00 2.52 H new ATOM 0 HD13 ILE A 64 11.716 -8.841 25.897 1.00 2.52 H new ATOM 1028 N SER A 65 8.888 -12.667 28.053 1.00 42.32 N ATOM 1029 CA SER A 65 9.312 -13.912 28.683 1.00 54.14 C ATOM 1030 C SER A 65 8.124 -14.846 28.891 1.00 33.34 C ATOM 1031 O SER A 65 8.287 -16.061 29.009 1.00 10.02 O ATOM 1032 CB SER A 65 9.991 -13.625 30.023 1.00 41.11 C ATOM 1033 OG SER A 65 11.384 -13.877 29.953 1.00 33.40 O ATOM 0 H SER A 65 8.801 -11.878 28.694 1.00 42.32 H new ATOM 0 HA SER A 65 10.026 -14.402 28.021 1.00 54.14 H new ATOM 0 HB2 SER A 65 9.820 -12.586 30.306 1.00 41.11 H new ATOM 0 HB3 SER A 65 9.545 -14.245 30.801 1.00 41.11 H new ATOM 0 HG SER A 65 11.795 -13.684 30.821 1.00 33.40 H new ATOM 1039 N LYS A 66 6.927 -14.271 28.937 1.00 41.45 N ATOM 1040 CA LYS A 66 5.710 -15.049 29.130 1.00 74.32 C ATOM 1041 C LYS A 66 5.672 -16.245 28.183 1.00 4.22 C ATOM 1042 O LYS A 66 5.692 -17.396 28.620 1.00 14.32 O ATOM 1043 CB LYS A 66 4.477 -14.170 28.907 1.00 33.52 C ATOM 1044 CG LYS A 66 3.165 -14.933 28.977 1.00 22.42 C ATOM 1045 CD LYS A 66 2.944 -15.536 30.354 1.00 34.32 C ATOM 1046 CE LYS A 66 3.463 -16.964 30.428 1.00 73.14 C ATOM 1047 NZ LYS A 66 2.798 -17.741 31.510 1.00 11.03 N ATOM 0 H LYS A 66 6.774 -13.267 28.843 1.00 41.45 H new ATOM 0 HA LYS A 66 5.705 -15.419 30.155 1.00 74.32 H new ATOM 0 HB2 LYS A 66 4.467 -13.377 29.655 1.00 33.52 H new ATOM 0 HB3 LYS A 66 4.556 -13.688 27.932 1.00 33.52 H new ATOM 0 HG2 LYS A 66 2.340 -14.263 28.735 1.00 22.42 H new ATOM 0 HG3 LYS A 66 3.163 -15.724 28.227 1.00 22.42 H new ATOM 0 HD2 LYS A 66 3.447 -14.926 31.104 1.00 34.32 H new ATOM 0 HD3 LYS A 66 1.880 -15.522 30.592 1.00 34.32 H new ATOM 0 HE2 LYS A 66 3.299 -17.460 29.471 1.00 73.14 H new ATOM 0 HE3 LYS A 66 4.539 -16.951 30.600 1.00 73.14 H new ATOM 0 HZ1 LYS A 66 3.179 -18.708 31.527 1.00 11.03 H new ATOM 0 HZ2 LYS A 66 2.976 -17.282 32.426 1.00 11.03 H new ATOM 0 HZ3 LYS A 66 1.774 -17.776 31.333 1.00 11.03 H new ATOM 1061 N TYR A 67 5.621 -15.965 26.886 1.00 55.32 N ATOM 1062 CA TYR A 67 5.580 -17.017 25.878 1.00 72.43 C ATOM 1063 C TYR A 67 6.529 -16.705 24.725 1.00 2.20 C ATOM 1064 O TYR A 67 7.205 -17.591 24.204 1.00 32.23 O ATOM 1065 CB TYR A 67 4.155 -17.190 25.347 1.00 5.15 C ATOM 1066 CG TYR A 67 3.821 -18.613 24.963 1.00 73.31 C ATOM 1067 CD1 TYR A 67 4.436 -19.224 23.877 1.00 51.41 C ATOM 1068 CD2 TYR A 67 2.890 -19.348 25.687 1.00 72.43 C ATOM 1069 CE1 TYR A 67 4.132 -20.524 23.522 1.00 44.43 C ATOM 1070 CE2 TYR A 67 2.581 -20.650 25.340 1.00 42.54 C ATOM 1071 CZ TYR A 67 3.205 -21.232 24.256 1.00 33.42 C ATOM 1072 OH TYR A 67 2.901 -22.528 23.906 1.00 33.24 O ATOM 0 H TYR A 67 5.607 -15.018 26.508 1.00 55.32 H new ATOM 0 HA TYR A 67 5.901 -17.947 26.348 1.00 72.43 H new ATOM 0 HB2 TYR A 67 3.450 -16.852 26.106 1.00 5.15 H new ATOM 0 HB3 TYR A 67 4.020 -16.547 24.478 1.00 5.15 H new ATOM 0 HD1 TYR A 67 5.164 -18.673 23.300 1.00 51.41 H new ATOM 0 HD2 TYR A 67 2.399 -18.894 26.535 1.00 72.43 H new ATOM 0 HE1 TYR A 67 4.618 -20.983 22.674 1.00 44.43 H new ATOM 0 HE2 TYR A 67 1.856 -21.208 25.914 1.00 42.54 H new ATOM 0 HH TYR A 67 2.230 -22.885 24.525 1.00 33.24 H new ATOM 1082 N GLY A 68 6.575 -15.435 24.332 1.00 74.32 N ATOM 1083 CA GLY A 68 7.444 -15.026 23.244 1.00 31.31 C ATOM 1084 C GLY A 68 7.424 -13.528 23.018 1.00 53.40 C ATOM 1085 O GLY A 68 6.385 -12.886 23.167 1.00 13.53 O ATOM 0 H GLY A 68 6.026 -14.683 24.748 1.00 74.32 H new ATOM 0 HA2 GLY A 68 8.464 -15.344 23.459 1.00 31.31 H new ATOM 0 HA3 GLY A 68 7.138 -15.533 22.329 1.00 31.31 H new ATOM 1089 N GLU A 69 8.575 -12.969 22.658 1.00 23.34 N ATOM 1090 CA GLU A 69 8.685 -11.536 22.414 1.00 0.12 C ATOM 1091 C GLU A 69 7.899 -11.134 21.169 1.00 21.33 C ATOM 1092 O GLU A 69 7.385 -10.019 21.078 1.00 32.42 O ATOM 1093 CB GLU A 69 10.153 -11.134 22.256 1.00 51.03 C ATOM 1094 CG GLU A 69 10.907 -11.972 21.237 1.00 21.55 C ATOM 1095 CD GLU A 69 11.985 -11.186 20.518 1.00 42.23 C ATOM 1096 OE1 GLU A 69 11.707 -10.041 20.103 1.00 33.03 O ATOM 1097 OE2 GLU A 69 13.107 -11.714 20.368 1.00 34.45 O ATOM 0 H GLU A 69 9.444 -13.487 22.529 1.00 23.34 H new ATOM 0 HA GLU A 69 8.263 -11.014 23.273 1.00 0.12 H new ATOM 0 HB2 GLU A 69 10.204 -10.086 21.961 1.00 51.03 H new ATOM 0 HB3 GLU A 69 10.650 -11.218 23.222 1.00 51.03 H new ATOM 0 HG2 GLU A 69 11.360 -12.827 21.739 1.00 21.55 H new ATOM 0 HG3 GLU A 69 10.203 -12.368 20.506 1.00 21.55 H new ATOM 1104 N LYS A 70 7.811 -12.051 20.211 1.00 11.14 N ATOM 1105 CA LYS A 70 7.088 -11.795 18.971 1.00 20.23 C ATOM 1106 C LYS A 70 5.626 -11.465 19.252 1.00 14.32 C ATOM 1107 O LYS A 70 5.211 -10.311 19.152 1.00 0.50 O ATOM 1108 CB LYS A 70 7.178 -13.010 18.044 1.00 5.54 C ATOM 1109 CG LYS A 70 6.887 -12.687 16.589 1.00 44.10 C ATOM 1110 CD LYS A 70 8.113 -12.127 15.886 1.00 14.11 C ATOM 1111 CE LYS A 70 7.730 -11.095 14.836 1.00 30.12 C ATOM 1112 NZ LYS A 70 8.702 -11.064 13.708 1.00 20.54 N ATOM 0 H LYS A 70 8.232 -12.978 20.270 1.00 11.14 H new ATOM 0 HA LYS A 70 7.549 -10.937 18.482 1.00 20.23 H new ATOM 0 HB2 LYS A 70 8.176 -13.441 18.119 1.00 5.54 H new ATOM 0 HB3 LYS A 70 6.476 -13.770 18.386 1.00 5.54 H new ATOM 0 HG2 LYS A 70 6.552 -13.588 16.075 1.00 44.10 H new ATOM 0 HG3 LYS A 70 6.072 -11.965 16.531 1.00 44.10 H new ATOM 0 HD2 LYS A 70 8.778 -11.672 16.620 1.00 14.11 H new ATOM 0 HD3 LYS A 70 8.666 -12.939 15.415 1.00 14.11 H new ATOM 0 HE2 LYS A 70 6.735 -11.320 14.452 1.00 30.12 H new ATOM 0 HE3 LYS A 70 7.678 -10.109 15.298 1.00 30.12 H new ATOM 0 HZ1 LYS A 70 8.406 -10.348 13.014 1.00 20.54 H new ATOM 0 HZ2 LYS A 70 9.647 -10.825 14.070 1.00 20.54 H new ATOM 0 HZ3 LYS A 70 8.733 -11.998 13.251 1.00 20.54 H new ATOM 1126 N GLU A 71 4.850 -12.485 19.605 1.00 22.14 N ATOM 1127 CA GLU A 71 3.434 -12.301 19.901 1.00 3.03 C ATOM 1128 C GLU A 71 3.231 -11.175 20.911 1.00 24.23 C ATOM 1129 O GLU A 71 2.187 -10.525 20.931 1.00 74.42 O ATOM 1130 CB GLU A 71 2.830 -13.599 20.440 1.00 20.42 C ATOM 1131 CG GLU A 71 1.311 -13.613 20.431 1.00 33.41 C ATOM 1132 CD GLU A 71 0.742 -14.975 20.083 1.00 31.35 C ATOM 1133 OE1 GLU A 71 1.462 -15.981 20.259 1.00 11.32 O ATOM 1134 OE2 GLU A 71 -0.422 -15.036 19.636 1.00 71.22 O ATOM 0 H GLU A 71 5.178 -13.447 19.693 1.00 22.14 H new ATOM 0 HA GLU A 71 2.928 -12.030 18.974 1.00 3.03 H new ATOM 0 HB2 GLU A 71 3.196 -14.435 19.844 1.00 20.42 H new ATOM 0 HB3 GLU A 71 3.180 -13.757 21.460 1.00 20.42 H new ATOM 0 HG2 GLU A 71 0.943 -13.309 21.411 1.00 33.41 H new ATOM 0 HG3 GLU A 71 0.949 -12.878 19.712 1.00 33.41 H new ATOM 1141 N ALA A 72 4.238 -10.951 21.749 1.00 25.31 N ATOM 1142 CA ALA A 72 4.172 -9.904 22.761 1.00 61.12 C ATOM 1143 C ALA A 72 3.713 -8.583 22.154 1.00 44.43 C ATOM 1144 O ALA A 72 2.661 -8.055 22.513 1.00 10.32 O ATOM 1145 CB ALA A 72 5.525 -9.736 23.436 1.00 44.45 C ATOM 0 H ALA A 72 5.110 -11.481 21.747 1.00 25.31 H new ATOM 0 HA ALA A 72 3.440 -10.203 23.511 1.00 61.12 H new ATOM 0 HB1 ALA A 72 5.461 -8.951 24.189 1.00 44.45 H new ATOM 0 HB2 ALA A 72 5.813 -10.673 23.912 1.00 44.45 H new ATOM 0 HB3 ALA A 72 6.272 -9.463 22.691 1.00 44.45 H new ATOM 1151 N VAL A 73 4.510 -8.052 21.231 1.00 23.04 N ATOM 1152 CA VAL A 73 4.186 -6.792 20.574 1.00 54.21 C ATOM 1153 C VAL A 73 2.837 -6.872 19.868 1.00 51.13 C ATOM 1154 O VAL A 73 2.051 -5.925 19.897 1.00 13.11 O ATOM 1155 CB VAL A 73 5.267 -6.398 19.550 1.00 75.44 C ATOM 1156 CG1 VAL A 73 4.733 -5.348 18.587 1.00 4.03 C ATOM 1157 CG2 VAL A 73 6.516 -5.898 20.259 1.00 34.33 C ATOM 0 H VAL A 73 5.385 -8.476 20.922 1.00 23.04 H new ATOM 0 HA VAL A 73 4.141 -6.031 21.353 1.00 54.21 H new ATOM 0 HB VAL A 73 5.535 -7.283 18.973 1.00 75.44 H new ATOM 0 HG11 VAL A 73 5.511 -5.082 17.871 1.00 4.03 H new ATOM 0 HG12 VAL A 73 3.870 -5.748 18.054 1.00 4.03 H new ATOM 0 HG13 VAL A 73 4.435 -4.461 19.145 1.00 4.03 H new ATOM 0 HG21 VAL A 73 7.269 -5.624 19.520 1.00 34.33 H new ATOM 0 HG22 VAL A 73 6.267 -5.026 20.863 1.00 34.33 H new ATOM 0 HG23 VAL A 73 6.909 -6.685 20.903 1.00 34.33 H new ATOM 1167 N LYS A 74 2.574 -8.009 19.233 1.00 63.30 N ATOM 1168 CA LYS A 74 1.320 -8.216 18.520 1.00 55.13 C ATOM 1169 C LYS A 74 0.131 -8.129 19.472 1.00 4.23 C ATOM 1170 O LYS A 74 -0.901 -7.547 19.141 1.00 54.41 O ATOM 1171 CB LYS A 74 1.326 -9.576 17.818 1.00 32.13 C ATOM 1172 CG LYS A 74 0.518 -9.601 16.532 1.00 3.11 C ATOM 1173 CD LYS A 74 0.779 -10.867 15.734 1.00 24.31 C ATOM 1174 CE LYS A 74 -0.266 -11.934 16.023 1.00 51.41 C ATOM 1175 NZ LYS A 74 0.221 -13.297 15.675 1.00 64.01 N ATOM 0 H LYS A 74 3.214 -8.802 19.198 1.00 63.30 H new ATOM 0 HA LYS A 74 1.223 -7.429 17.773 1.00 55.13 H new ATOM 0 HB2 LYS A 74 2.356 -9.856 17.596 1.00 32.13 H new ATOM 0 HB3 LYS A 74 0.931 -10.329 18.500 1.00 32.13 H new ATOM 0 HG2 LYS A 74 -0.544 -9.531 16.767 1.00 3.11 H new ATOM 0 HG3 LYS A 74 0.769 -8.730 15.927 1.00 3.11 H new ATOM 0 HD2 LYS A 74 0.778 -10.634 14.669 1.00 24.31 H new ATOM 0 HD3 LYS A 74 1.770 -11.252 15.975 1.00 24.31 H new ATOM 0 HE2 LYS A 74 -0.534 -11.903 17.079 1.00 51.41 H new ATOM 0 HE3 LYS A 74 -1.172 -11.717 15.458 1.00 51.41 H new ATOM 0 HZ1 LYS A 74 -0.520 -13.995 15.887 1.00 64.01 H new ATOM 0 HZ2 LYS A 74 0.453 -13.335 14.662 1.00 64.01 H new ATOM 0 HZ3 LYS A 74 1.071 -13.515 16.233 1.00 64.01 H new ATOM 1189 N VAL A 75 0.285 -8.710 20.658 1.00 63.12 N ATOM 1190 CA VAL A 75 -0.774 -8.696 21.660 1.00 50.34 C ATOM 1191 C VAL A 75 -1.103 -7.271 22.090 1.00 15.15 C ATOM 1192 O VAL A 75 -2.194 -6.999 22.592 1.00 33.02 O ATOM 1193 CB VAL A 75 -0.383 -9.519 22.902 1.00 52.45 C ATOM 1194 CG1 VAL A 75 -1.463 -9.421 23.968 1.00 33.42 C ATOM 1195 CG2 VAL A 75 -0.128 -10.969 22.520 1.00 3.14 C ATOM 0 H VAL A 75 1.133 -9.196 20.948 1.00 63.12 H new ATOM 0 HA VAL A 75 -1.653 -9.146 21.199 1.00 50.34 H new ATOM 0 HB VAL A 75 0.539 -9.109 23.315 1.00 52.45 H new ATOM 0 HG11 VAL A 75 -1.170 -10.009 24.838 1.00 33.42 H new ATOM 0 HG12 VAL A 75 -1.592 -8.379 24.261 1.00 33.42 H new ATOM 0 HG13 VAL A 75 -2.402 -9.805 23.571 1.00 33.42 H new ATOM 0 HG21 VAL A 75 0.147 -11.536 23.409 1.00 3.14 H new ATOM 0 HG22 VAL A 75 -1.031 -11.394 22.083 1.00 3.14 H new ATOM 0 HG23 VAL A 75 0.683 -11.017 21.794 1.00 3.14 H new ATOM 1205 N VAL A 76 -0.153 -6.363 21.891 1.00 60.31 N ATOM 1206 CA VAL A 76 -0.342 -4.965 22.257 1.00 12.12 C ATOM 1207 C VAL A 76 -1.165 -4.228 21.206 1.00 3.12 C ATOM 1208 O VAL A 76 -2.160 -3.577 21.525 1.00 15.13 O ATOM 1209 CB VAL A 76 1.007 -4.244 22.436 1.00 41.24 C ATOM 1210 CG1 VAL A 76 0.903 -2.796 21.982 1.00 41.15 C ATOM 1211 CG2 VAL A 76 1.467 -4.325 23.883 1.00 31.44 C ATOM 0 H VAL A 76 0.756 -6.571 21.478 1.00 60.31 H new ATOM 0 HA VAL A 76 -0.878 -4.956 23.206 1.00 12.12 H new ATOM 0 HB VAL A 76 1.750 -4.743 21.814 1.00 41.24 H new ATOM 0 HG11 VAL A 76 1.866 -2.303 22.116 1.00 41.15 H new ATOM 0 HG12 VAL A 76 0.622 -2.764 20.929 1.00 41.15 H new ATOM 0 HG13 VAL A 76 0.146 -2.282 22.575 1.00 41.15 H new ATOM 0 HG21 VAL A 76 2.422 -3.810 23.991 1.00 31.44 H new ATOM 0 HG22 VAL A 76 0.726 -3.853 24.527 1.00 31.44 H new ATOM 0 HG23 VAL A 76 1.584 -5.370 24.170 1.00 31.44 H new ATOM 1221 N LEU A 77 -0.743 -4.335 19.951 1.00 3.31 N ATOM 1222 CA LEU A 77 -1.441 -3.679 18.851 1.00 43.32 C ATOM 1223 C LEU A 77 -2.798 -4.328 18.603 1.00 73.23 C ATOM 1224 O LEU A 77 -3.811 -3.642 18.463 1.00 61.03 O ATOM 1225 CB LEU A 77 -0.595 -3.736 17.578 1.00 63.33 C ATOM 1226 CG LEU A 77 -0.012 -5.104 17.220 1.00 22.15 C ATOM 1227 CD1 LEU A 77 -0.743 -5.701 16.029 1.00 75.44 C ATOM 1228 CD2 LEU A 77 1.478 -4.990 16.932 1.00 51.04 C ATOM 0 H LEU A 77 0.079 -4.870 19.670 1.00 3.31 H new ATOM 0 HA LEU A 77 -1.603 -2.637 19.126 1.00 43.32 H new ATOM 0 HB2 LEU A 77 -1.207 -3.395 16.743 1.00 63.33 H new ATOM 0 HB3 LEU A 77 0.228 -3.028 17.680 1.00 63.33 H new ATOM 0 HG LEU A 77 -0.147 -5.769 18.073 1.00 22.15 H new ATOM 0 HD11 LEU A 77 -0.314 -6.674 15.789 1.00 75.44 H new ATOM 0 HD12 LEU A 77 -1.799 -5.820 16.272 1.00 75.44 H new ATOM 0 HD13 LEU A 77 -0.641 -5.038 15.170 1.00 75.44 H new ATOM 0 HD21 LEU A 77 1.876 -5.973 16.679 1.00 51.04 H new ATOM 0 HD22 LEU A 77 1.636 -4.309 16.096 1.00 51.04 H new ATOM 0 HD23 LEU A 77 1.991 -4.607 17.814 1.00 51.04 H new ATOM 1240 N LYS A 78 -2.813 -5.656 18.551 1.00 4.14 N ATOM 1241 CA LYS A 78 -4.046 -6.400 18.324 1.00 3.01 C ATOM 1242 C LYS A 78 -5.137 -5.953 19.291 1.00 13.31 C ATOM 1243 O LYS A 78 -6.296 -5.798 18.906 1.00 5.14 O ATOM 1244 CB LYS A 78 -3.796 -7.902 18.480 1.00 45.31 C ATOM 1245 CG LYS A 78 -4.816 -8.766 17.760 1.00 60.20 C ATOM 1246 CD LYS A 78 -6.026 -9.046 18.635 1.00 32.21 C ATOM 1247 CE LYS A 78 -5.666 -9.931 19.819 1.00 44.42 C ATOM 1248 NZ LYS A 78 -6.268 -11.287 19.701 1.00 21.43 N ATOM 0 H LYS A 78 -1.984 -6.239 18.663 1.00 4.14 H new ATOM 0 HA LYS A 78 -4.381 -6.197 17.307 1.00 3.01 H new ATOM 0 HB2 LYS A 78 -2.801 -8.137 18.102 1.00 45.31 H new ATOM 0 HB3 LYS A 78 -3.802 -8.155 19.540 1.00 45.31 H new ATOM 0 HG2 LYS A 78 -5.135 -8.267 16.845 1.00 60.20 H new ATOM 0 HG3 LYS A 78 -4.353 -9.708 17.465 1.00 60.20 H new ATOM 0 HD2 LYS A 78 -6.441 -8.105 18.996 1.00 32.21 H new ATOM 0 HD3 LYS A 78 -6.802 -9.529 18.041 1.00 32.21 H new ATOM 0 HE2 LYS A 78 -4.582 -10.020 19.890 1.00 44.42 H new ATOM 0 HE3 LYS A 78 -6.008 -9.461 20.741 1.00 44.42 H new ATOM 0 HZ1 LYS A 78 -6.250 -11.757 20.629 1.00 21.43 H new ATOM 0 HZ2 LYS A 78 -7.252 -11.203 19.374 1.00 21.43 H new ATOM 0 HZ3 LYS A 78 -5.723 -11.850 19.018 1.00 21.43 H new ATOM 1262 N GLY A 79 -4.759 -5.745 20.549 1.00 70.21 N ATOM 1263 CA GLY A 79 -5.717 -5.316 21.551 1.00 74.34 C ATOM 1264 C GLY A 79 -5.894 -3.811 21.577 1.00 3.04 C ATOM 1265 O GLY A 79 -6.859 -3.301 22.148 1.00 22.43 O ATOM 0 H GLY A 79 -3.806 -5.866 20.892 1.00 70.21 H new ATOM 0 HA2 GLY A 79 -6.679 -5.789 21.355 1.00 74.34 H new ATOM 0 HA3 GLY A 79 -5.389 -5.657 22.533 1.00 74.34 H new ATOM 1269 N LEU A 80 -4.959 -3.097 20.960 1.00 11.43 N ATOM 1270 CA LEU A 80 -5.014 -1.639 20.917 1.00 72.43 C ATOM 1271 C LEU A 80 -6.089 -1.164 19.944 1.00 2.03 C ATOM 1272 O LEU A 80 -6.679 -0.099 20.126 1.00 34.14 O ATOM 1273 CB LEU A 80 -3.654 -1.070 20.510 1.00 50.11 C ATOM 1274 CG LEU A 80 -2.964 -0.177 21.542 1.00 54.11 C ATOM 1275 CD1 LEU A 80 -2.882 -0.881 22.887 1.00 24.41 C ATOM 1276 CD2 LEU A 80 -1.577 0.222 21.060 1.00 30.42 C ATOM 0 H LEU A 80 -4.154 -3.503 20.483 1.00 11.43 H new ATOM 0 HA LEU A 80 -5.268 -1.279 21.914 1.00 72.43 H new ATOM 0 HB2 LEU A 80 -2.990 -1.902 20.277 1.00 50.11 H new ATOM 0 HB3 LEU A 80 -3.782 -0.497 19.591 1.00 50.11 H new ATOM 0 HG LEU A 80 -3.558 0.729 21.665 1.00 54.11 H new ATOM 0 HD11 LEU A 80 -2.388 -0.230 23.609 1.00 24.41 H new ATOM 0 HD12 LEU A 80 -3.887 -1.114 23.237 1.00 24.41 H new ATOM 0 HD13 LEU A 80 -2.312 -1.804 22.781 1.00 24.41 H new ATOM 0 HD21 LEU A 80 -1.101 0.857 21.807 1.00 30.42 H new ATOM 0 HD22 LEU A 80 -0.974 -0.673 20.907 1.00 30.42 H new ATOM 0 HD23 LEU A 80 -1.661 0.768 20.120 1.00 30.42 H new ATOM 1288 N LYS A 81 -6.339 -1.961 18.911 1.00 35.55 N ATOM 1289 CA LYS A 81 -7.346 -1.625 17.911 1.00 25.31 C ATOM 1290 C LYS A 81 -8.681 -1.297 18.571 1.00 2.23 C ATOM 1291 O LYS A 81 -9.247 -0.226 18.351 1.00 61.11 O ATOM 1292 CB LYS A 81 -7.523 -2.784 16.927 1.00 45.43 C ATOM 1293 CG LYS A 81 -6.900 -2.526 15.566 1.00 44.34 C ATOM 1294 CD LYS A 81 -7.927 -2.015 14.570 1.00 53.32 C ATOM 1295 CE LYS A 81 -7.768 -2.682 13.212 1.00 20.44 C ATOM 1296 NZ LYS A 81 -8.804 -3.727 12.983 1.00 31.12 N ATOM 0 H LYS A 81 -5.858 -2.845 18.744 1.00 35.55 H new ATOM 0 HA LYS A 81 -7.003 -0.744 17.369 1.00 25.31 H new ATOM 0 HB2 LYS A 81 -7.081 -3.684 17.355 1.00 45.43 H new ATOM 0 HB3 LYS A 81 -8.587 -2.982 16.799 1.00 45.43 H new ATOM 0 HG2 LYS A 81 -6.095 -1.798 15.666 1.00 44.34 H new ATOM 0 HG3 LYS A 81 -6.453 -3.446 15.189 1.00 44.34 H new ATOM 0 HD2 LYS A 81 -8.930 -2.202 14.953 1.00 53.32 H new ATOM 0 HD3 LYS A 81 -7.823 -0.935 14.461 1.00 53.32 H new ATOM 0 HE2 LYS A 81 -7.833 -1.928 12.427 1.00 20.44 H new ATOM 0 HE3 LYS A 81 -6.777 -3.131 13.142 1.00 20.44 H new ATOM 0 HZ1 LYS A 81 -8.662 -4.158 12.047 1.00 31.12 H new ATOM 0 HZ2 LYS A 81 -8.726 -4.460 13.717 1.00 31.12 H new ATOM 0 HZ3 LYS A 81 -9.749 -3.294 13.025 1.00 31.12 H new ATOM 1310 N VAL A 82 -9.178 -2.224 19.383 1.00 35.32 N ATOM 1311 CA VAL A 82 -10.446 -2.032 20.078 1.00 41.13 C ATOM 1312 C VAL A 82 -10.389 -0.818 20.998 1.00 34.13 C ATOM 1313 O VAL A 82 -11.391 -0.439 21.605 1.00 61.32 O ATOM 1314 CB VAL A 82 -10.826 -3.274 20.906 1.00 52.50 C ATOM 1315 CG1 VAL A 82 -12.292 -3.219 21.309 1.00 41.43 C ATOM 1316 CG2 VAL A 82 -10.526 -4.545 20.127 1.00 20.32 C ATOM 0 H VAL A 82 -8.722 -3.116 19.576 1.00 35.32 H new ATOM 0 HA VAL A 82 -11.205 -1.869 19.313 1.00 41.13 H new ATOM 0 HB VAL A 82 -10.224 -3.282 21.815 1.00 52.50 H new ATOM 0 HG11 VAL A 82 -12.542 -4.105 21.893 1.00 41.43 H new ATOM 0 HG12 VAL A 82 -12.471 -2.326 21.908 1.00 41.43 H new ATOM 0 HG13 VAL A 82 -12.914 -3.187 20.415 1.00 41.43 H new ATOM 0 HG21 VAL A 82 -10.800 -5.413 20.727 1.00 20.32 H new ATOM 0 HG22 VAL A 82 -11.100 -4.548 19.201 1.00 20.32 H new ATOM 0 HG23 VAL A 82 -9.462 -4.587 19.894 1.00 20.32 H new ATOM 1326 N MET A 83 -9.211 -0.212 21.097 1.00 1.24 N ATOM 1327 CA MET A 83 -9.024 0.961 21.943 1.00 11.24 C ATOM 1328 C MET A 83 -8.889 2.224 21.099 1.00 2.41 C ATOM 1329 O MET A 83 -8.853 3.335 21.628 1.00 32.50 O ATOM 1330 CB MET A 83 -7.786 0.788 22.826 1.00 51.45 C ATOM 1331 CG MET A 83 -7.873 1.534 24.147 1.00 2.22 C ATOM 1332 SD MET A 83 -8.529 0.512 25.480 1.00 60.02 S ATOM 1333 CE MET A 83 -7.344 -0.831 25.491 1.00 1.02 C ATOM 0 H MET A 83 -8.372 -0.513 20.602 1.00 1.24 H new ATOM 0 HA MET A 83 -9.903 1.063 22.579 1.00 11.24 H new ATOM 0 HB2 MET A 83 -7.638 -0.273 23.026 1.00 51.45 H new ATOM 0 HB3 MET A 83 -6.909 1.134 22.280 1.00 51.45 H new ATOM 0 HG2 MET A 83 -6.881 1.892 24.423 1.00 2.22 H new ATOM 0 HG3 MET A 83 -8.506 2.413 24.023 1.00 2.22 H new ATOM 0 HE1 MET A 83 -7.323 -1.290 26.480 1.00 1.02 H new ATOM 0 HE2 MET A 83 -7.633 -1.577 24.751 1.00 1.02 H new ATOM 0 HE3 MET A 83 -6.354 -0.445 25.249 1.00 1.02 H new ATOM 1343 N ASN A 84 -8.814 2.047 19.784 1.00 23.31 N ATOM 1344 CA ASN A 84 -8.681 3.173 18.867 1.00 74.00 C ATOM 1345 C ASN A 84 -7.329 3.858 19.038 1.00 10.13 C ATOM 1346 O ASN A 84 -7.215 5.076 18.897 1.00 15.50 O ATOM 1347 CB ASN A 84 -9.809 4.181 19.098 1.00 71.20 C ATOM 1348 CG ASN A 84 -11.165 3.513 19.224 1.00 23.34 C ATOM 1349 OD1 ASN A 84 -11.412 2.467 18.624 1.00 20.32 O ATOM 1350 ND2 ASN A 84 -12.051 4.116 20.008 1.00 3.22 N ATOM 0 H ASN A 84 -8.843 1.134 19.329 1.00 23.31 H new ATOM 0 HA ASN A 84 -8.747 2.790 17.849 1.00 74.00 H new ATOM 0 HB2 ASN A 84 -9.603 4.752 20.003 1.00 71.20 H new ATOM 0 HB3 ASN A 84 -9.832 4.892 18.272 1.00 71.20 H new ATOM 0 HD21 ASN A 84 -12.980 3.713 20.132 1.00 3.22 H new ATOM 0 HD22 ASN A 84 -11.803 4.982 20.486 1.00 3.22 H new ATOM 1357 N LEU A 85 -6.306 3.067 19.343 1.00 41.32 N ATOM 1358 CA LEU A 85 -4.960 3.597 19.533 1.00 61.31 C ATOM 1359 C LEU A 85 -4.173 3.565 18.227 1.00 42.13 C ATOM 1360 O LEU A 85 -2.945 3.462 18.231 1.00 13.43 O ATOM 1361 CB LEU A 85 -4.222 2.794 20.606 1.00 41.31 C ATOM 1362 CG LEU A 85 -4.172 3.423 21.999 1.00 41.23 C ATOM 1363 CD1 LEU A 85 -3.958 4.926 21.899 1.00 61.43 C ATOM 1364 CD2 LEU A 85 -5.447 3.115 22.769 1.00 33.53 C ATOM 0 H LEU A 85 -6.383 2.057 19.464 1.00 41.32 H new ATOM 0 HA LEU A 85 -5.046 4.634 19.858 1.00 61.31 H new ATOM 0 HB2 LEU A 85 -4.694 1.815 20.688 1.00 41.31 H new ATOM 0 HB3 LEU A 85 -3.199 2.627 20.268 1.00 41.31 H new ATOM 0 HG LEU A 85 -3.330 2.992 22.541 1.00 41.23 H new ATOM 0 HD11 LEU A 85 -3.925 5.356 22.900 1.00 61.43 H new ATOM 0 HD12 LEU A 85 -3.017 5.126 21.387 1.00 61.43 H new ATOM 0 HD13 LEU A 85 -4.779 5.374 21.338 1.00 61.43 H new ATOM 0 HD21 LEU A 85 -5.394 3.570 23.758 1.00 33.53 H new ATOM 0 HD22 LEU A 85 -6.304 3.518 22.230 1.00 33.53 H new ATOM 0 HD23 LEU A 85 -5.558 2.036 22.872 1.00 33.53 H new ATOM 1376 N LEU A 86 -4.886 3.656 17.110 1.00 73.11 N ATOM 1377 CA LEU A 86 -4.255 3.640 15.795 1.00 43.10 C ATOM 1378 C LEU A 86 -3.228 4.761 15.671 1.00 41.14 C ATOM 1379 O LEU A 86 -2.360 4.727 14.799 1.00 74.44 O ATOM 1380 CB LEU A 86 -5.312 3.777 14.698 1.00 42.21 C ATOM 1381 CG LEU A 86 -6.065 2.499 14.328 1.00 60.01 C ATOM 1382 CD1 LEU A 86 -7.512 2.579 14.789 1.00 2.44 C ATOM 1383 CD2 LEU A 86 -5.995 2.254 12.828 1.00 64.32 C ATOM 0 H LEU A 86 -5.902 3.742 17.089 1.00 73.11 H new ATOM 0 HA LEU A 86 -3.741 2.686 15.677 1.00 43.10 H new ATOM 0 HB2 LEU A 86 -6.039 4.525 15.014 1.00 42.21 H new ATOM 0 HB3 LEU A 86 -4.828 4.162 13.801 1.00 42.21 H new ATOM 0 HG LEU A 86 -5.589 1.660 14.836 1.00 60.01 H new ATOM 0 HD11 LEU A 86 -8.032 1.660 14.517 1.00 2.44 H new ATOM 0 HD12 LEU A 86 -7.543 2.706 15.871 1.00 2.44 H new ATOM 0 HD13 LEU A 86 -8.000 3.428 14.310 1.00 2.44 H new ATOM 0 HD21 LEU A 86 -6.536 1.340 12.583 1.00 64.32 H new ATOM 0 HD22 LEU A 86 -6.445 3.095 12.301 1.00 64.32 H new ATOM 0 HD23 LEU A 86 -4.953 2.151 12.524 1.00 64.32 H new ATOM 1395 N GLU A 87 -3.332 5.753 16.550 1.00 31.52 N ATOM 1396 CA GLU A 87 -2.411 6.883 16.539 1.00 71.12 C ATOM 1397 C GLU A 87 -0.962 6.405 16.578 1.00 34.24 C ATOM 1398 O GLU A 87 -0.308 6.283 15.542 1.00 73.21 O ATOM 1399 CB GLU A 87 -2.688 7.807 17.727 1.00 65.41 C ATOM 1400 CG GLU A 87 -1.650 8.904 17.899 1.00 34.42 C ATOM 1401 CD GLU A 87 -2.264 10.290 17.907 1.00 43.35 C ATOM 1402 OE1 GLU A 87 -3.269 10.491 18.619 1.00 12.31 O ATOM 1403 OE2 GLU A 87 -1.737 11.175 17.199 1.00 33.11 O ATOM 0 H GLU A 87 -4.045 5.797 17.278 1.00 31.52 H new ATOM 0 HA GLU A 87 -2.567 7.437 15.613 1.00 71.12 H new ATOM 0 HB2 GLU A 87 -3.670 8.264 17.600 1.00 65.41 H new ATOM 0 HB3 GLU A 87 -2.729 7.211 18.639 1.00 65.41 H new ATOM 0 HG2 GLU A 87 -1.109 8.745 18.832 1.00 34.42 H new ATOM 0 HG3 GLU A 87 -0.920 8.838 17.092 1.00 34.42 H new ATOM 1410 N LEU A 88 -0.467 6.136 17.781 1.00 13.15 N ATOM 1411 CA LEU A 88 0.904 5.672 17.958 1.00 64.40 C ATOM 1412 C LEU A 88 1.113 4.320 17.283 1.00 35.42 C ATOM 1413 O LEU A 88 2.225 3.980 16.880 1.00 70.10 O ATOM 1414 CB LEU A 88 1.241 5.569 19.447 1.00 63.24 C ATOM 1415 CG LEU A 88 0.840 4.265 20.137 1.00 31.10 C ATOM 1416 CD1 LEU A 88 -0.639 3.982 19.925 1.00 71.33 C ATOM 1417 CD2 LEU A 88 1.685 3.108 19.625 1.00 63.14 C ATOM 0 H LEU A 88 -0.995 6.231 18.648 1.00 13.15 H new ATOM 0 HA LEU A 88 1.570 6.398 17.491 1.00 64.40 H new ATOM 0 HB2 LEU A 88 2.316 5.704 19.566 1.00 63.24 H new ATOM 0 HB3 LEU A 88 0.757 6.396 19.967 1.00 63.24 H new ATOM 0 HG LEU A 88 1.019 4.373 21.207 1.00 31.10 H new ATOM 0 HD11 LEU A 88 -0.906 3.050 20.423 1.00 71.33 H new ATOM 0 HD12 LEU A 88 -1.229 4.798 20.342 1.00 71.33 H new ATOM 0 HD13 LEU A 88 -0.843 3.895 18.858 1.00 71.33 H new ATOM 0 HD21 LEU A 88 1.385 2.188 20.127 1.00 63.14 H new ATOM 0 HD22 LEU A 88 1.539 2.999 18.550 1.00 63.14 H new ATOM 0 HD23 LEU A 88 2.737 3.307 19.830 1.00 63.14 H new ATOM 1429 N VAL A 89 0.034 3.552 17.162 1.00 51.22 N ATOM 1430 CA VAL A 89 0.097 2.238 16.533 1.00 42.53 C ATOM 1431 C VAL A 89 0.552 2.345 15.081 1.00 13.54 C ATOM 1432 O VAL A 89 1.184 1.433 14.549 1.00 33.21 O ATOM 1433 CB VAL A 89 -1.268 1.527 16.581 1.00 61.15 C ATOM 1434 CG1 VAL A 89 -1.394 0.536 15.433 1.00 33.04 C ATOM 1435 CG2 VAL A 89 -1.459 0.832 17.920 1.00 32.30 C ATOM 0 H VAL A 89 -0.894 3.818 17.491 1.00 51.22 H new ATOM 0 HA VAL A 89 0.823 1.652 17.096 1.00 42.53 H new ATOM 0 HB VAL A 89 -2.053 2.275 16.471 1.00 61.15 H new ATOM 0 HG11 VAL A 89 -2.365 0.043 15.483 1.00 33.04 H new ATOM 0 HG12 VAL A 89 -1.304 1.065 14.484 1.00 33.04 H new ATOM 0 HG13 VAL A 89 -0.604 -0.211 15.509 1.00 33.04 H new ATOM 0 HG21 VAL A 89 -2.429 0.335 17.937 1.00 32.30 H new ATOM 0 HG22 VAL A 89 -0.670 0.094 18.062 1.00 32.30 H new ATOM 0 HG23 VAL A 89 -1.415 1.569 18.722 1.00 32.30 H new ATOM 1445 N ASP A 90 0.226 3.466 14.446 1.00 1.05 N ATOM 1446 CA ASP A 90 0.602 3.694 13.056 1.00 21.11 C ATOM 1447 C ASP A 90 2.029 3.221 12.794 1.00 13.14 C ATOM 1448 O ASP A 90 2.274 2.440 11.876 1.00 23.51 O ATOM 1449 CB ASP A 90 0.471 5.177 12.707 1.00 41.24 C ATOM 1450 CG ASP A 90 0.176 5.402 11.237 1.00 61.35 C ATOM 1451 OD1 ASP A 90 1.110 5.272 10.417 1.00 34.50 O ATOM 1452 OD2 ASP A 90 -0.989 5.707 10.905 1.00 25.25 O ATOM 0 H ASP A 90 -0.298 4.231 14.872 1.00 1.05 H new ATOM 0 HA ASP A 90 -0.074 3.119 12.423 1.00 21.11 H new ATOM 0 HB2 ASP A 90 -0.325 5.619 13.306 1.00 41.24 H new ATOM 0 HB3 ASP A 90 1.394 5.693 12.972 1.00 41.24 H new ATOM 1457 N GLN A 91 2.964 3.701 13.607 1.00 3.41 N ATOM 1458 CA GLN A 91 4.366 3.329 13.462 1.00 65.34 C ATOM 1459 C GLN A 91 4.625 1.943 14.045 1.00 52.43 C ATOM 1460 O GLN A 91 5.032 1.025 13.333 1.00 62.53 O ATOM 1461 CB GLN A 91 5.264 4.360 14.148 1.00 30.43 C ATOM 1462 CG GLN A 91 5.336 5.689 13.414 1.00 30.21 C ATOM 1463 CD GLN A 91 4.196 6.619 13.779 1.00 40.35 C ATOM 1464 OE1 GLN A 91 3.668 6.567 14.890 1.00 50.43 O ATOM 1465 NE2 GLN A 91 3.810 7.478 12.842 1.00 10.01 N ATOM 0 H GLN A 91 2.776 4.348 14.373 1.00 3.41 H new ATOM 0 HA GLN A 91 4.601 3.305 12.398 1.00 65.34 H new ATOM 0 HB2 GLN A 91 4.897 4.533 15.160 1.00 30.43 H new ATOM 0 HB3 GLN A 91 6.270 3.950 14.239 1.00 30.43 H new ATOM 0 HG2 GLN A 91 6.284 6.175 13.643 1.00 30.21 H new ATOM 0 HG3 GLN A 91 5.322 5.508 12.339 1.00 30.21 H new ATOM 0 HE21 GLN A 91 4.276 7.486 11.935 1.00 10.01 H new ATOM 0 HE22 GLN A 91 3.048 8.129 13.030 1.00 10.01 H new ATOM 1474 N LEU A 92 4.386 1.800 15.344 1.00 60.24 N ATOM 1475 CA LEU A 92 4.593 0.526 16.023 1.00 22.24 C ATOM 1476 C LEU A 92 4.260 -0.643 15.102 1.00 34.44 C ATOM 1477 O LEU A 92 5.074 -1.545 14.908 1.00 64.42 O ATOM 1478 CB LEU A 92 3.735 0.455 17.288 1.00 63.41 C ATOM 1479 CG LEU A 92 3.662 -0.910 17.973 1.00 20.33 C ATOM 1480 CD1 LEU A 92 2.603 -1.782 17.315 1.00 5.24 C ATOM 1481 CD2 LEU A 92 5.019 -1.598 17.938 1.00 30.23 C ATOM 0 H LEU A 92 4.049 2.550 15.948 1.00 60.24 H new ATOM 0 HA LEU A 92 5.645 0.457 16.300 1.00 22.24 H new ATOM 0 HB2 LEU A 92 4.120 1.179 18.006 1.00 63.41 H new ATOM 0 HB3 LEU A 92 2.722 0.766 17.034 1.00 63.41 H new ATOM 0 HG LEU A 92 3.381 -0.757 19.015 1.00 20.33 H new ATOM 0 HD11 LEU A 92 2.566 -2.749 17.816 1.00 5.24 H new ATOM 0 HD12 LEU A 92 1.631 -1.295 17.393 1.00 5.24 H new ATOM 0 HD13 LEU A 92 2.853 -1.927 16.264 1.00 5.24 H new ATOM 0 HD21 LEU A 92 4.948 -2.568 18.430 1.00 30.23 H new ATOM 0 HD22 LEU A 92 5.329 -1.738 16.903 1.00 30.23 H new ATOM 0 HD23 LEU A 92 5.753 -0.981 18.456 1.00 30.23 H new ATOM 1493 N SER A 93 3.057 -0.620 14.536 1.00 2.23 N ATOM 1494 CA SER A 93 2.615 -1.679 13.637 1.00 40.35 C ATOM 1495 C SER A 93 3.512 -1.755 12.405 1.00 25.11 C ATOM 1496 O SER A 93 3.891 -2.841 11.965 1.00 62.10 O ATOM 1497 CB SER A 93 1.165 -1.443 13.211 1.00 53.43 C ATOM 1498 OG SER A 93 1.100 -0.873 11.915 1.00 71.23 O ATOM 0 H SER A 93 2.372 0.121 14.684 1.00 2.23 H new ATOM 0 HA SER A 93 2.680 -2.626 14.172 1.00 40.35 H new ATOM 0 HB2 SER A 93 0.621 -2.387 13.224 1.00 53.43 H new ATOM 0 HB3 SER A 93 0.675 -0.783 13.927 1.00 53.43 H new ATOM 0 HG SER A 93 0.163 -0.734 11.666 1.00 71.23 H new ATOM 1504 N HIS A 94 3.849 -0.594 11.853 1.00 42.31 N ATOM 1505 CA HIS A 94 4.703 -0.528 10.672 1.00 12.41 C ATOM 1506 C HIS A 94 6.150 -0.851 11.029 1.00 5.44 C ATOM 1507 O HIS A 94 7.024 -0.869 10.162 1.00 4.12 O ATOM 1508 CB HIS A 94 4.620 0.859 10.034 1.00 0.41 C ATOM 1509 CG HIS A 94 3.597 0.958 8.945 1.00 73.41 C ATOM 1510 ND1 HIS A 94 2.522 0.100 8.843 1.00 53.12 N ATOM 1511 CD2 HIS A 94 3.488 1.820 7.908 1.00 53.43 C ATOM 1512 CE1 HIS A 94 1.797 0.430 7.789 1.00 53.02 C ATOM 1513 NE2 HIS A 94 2.361 1.471 7.204 1.00 2.33 N ATOM 0 H HIS A 94 3.544 0.314 12.204 1.00 42.31 H new ATOM 0 HA HIS A 94 4.350 -1.271 9.957 1.00 12.41 H new ATOM 0 HB2 HIS A 94 4.388 1.592 10.807 1.00 0.41 H new ATOM 0 HB3 HIS A 94 5.597 1.122 9.628 1.00 0.41 H new ATOM 0 HD2 HIS A 94 4.162 2.632 7.677 1.00 53.43 H new ATOM 0 HE1 HIS A 94 0.896 -0.067 7.461 1.00 53.02 H new ATOM 0 HE2 HIS A 94 2.016 1.940 6.366 1.00 2.33 H new ATOM 1521 N ILE A 95 6.396 -1.104 12.310 1.00 2.34 N ATOM 1522 CA ILE A 95 7.737 -1.426 12.781 1.00 25.02 C ATOM 1523 C ILE A 95 7.860 -2.908 13.119 1.00 1.14 C ATOM 1524 O ILE A 95 8.921 -3.509 12.946 1.00 2.24 O ATOM 1525 CB ILE A 95 8.113 -0.595 14.022 1.00 24.02 C ATOM 1526 CG1 ILE A 95 7.870 0.893 13.760 1.00 75.52 C ATOM 1527 CG2 ILE A 95 9.566 -0.840 14.404 1.00 74.02 C ATOM 1528 CD1 ILE A 95 9.032 1.775 14.158 1.00 33.14 C ATOM 0 H ILE A 95 5.684 -1.092 13.040 1.00 2.34 H new ATOM 0 HA ILE A 95 8.423 -1.183 11.970 1.00 25.02 H new ATOM 0 HB ILE A 95 7.481 -0.906 14.854 1.00 24.02 H new ATOM 0 HG12 ILE A 95 7.661 1.037 12.700 1.00 75.52 H new ATOM 0 HG13 ILE A 95 6.981 1.209 14.306 1.00 75.52 H new ATOM 0 HG21 ILE A 95 9.816 -0.246 15.283 1.00 74.02 H new ATOM 0 HG22 ILE A 95 9.710 -1.897 14.628 1.00 74.02 H new ATOM 0 HG23 ILE A 95 10.213 -0.553 13.575 1.00 74.02 H new ATOM 0 HD11 ILE A 95 8.789 2.816 13.944 1.00 33.14 H new ATOM 0 HD12 ILE A 95 9.228 1.660 15.224 1.00 33.14 H new ATOM 0 HD13 ILE A 95 9.918 1.486 13.593 1.00 33.14 H new