USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=13 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 Single : A 20 SER OG : rot -52:sc= 0.0525 USER MOD Single : A 25 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 28 LYS NZ :NH3+ 156:sc= 0.738 (180deg=0.446) USER MOD Single : A 29 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.037) USER MOD Single : A 31 LYS NZ :NH3+ -179:sc= -1.74 (180deg=-1.76) 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 -46:sc= 0.0927 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.383) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 145:sc= 0.0674 (180deg=-0.032) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -155:sc= -0.431 (180deg=-0.824) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl 140:sc= -2.9! (180deg=-3.71!) USER MOD Single : A 84 ASN : amide:sc= -0.103 K(o=-0.1,f=-1.7!) USER MOD Single : A 91 GLN : amide:sc= -0.0073 X(o=-0.0073,f=-0.19) USER MOD Single : A 93 SER OG : rot -71:sc= 1.02 USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=-0.025) USER MOD ----------------------------------------------------------------- ATOM 164 N ARG A 12 11.016 -4.344 17.179 1.00 75.02 N ATOM 165 CA ARG A 12 11.028 -4.283 18.635 1.00 23.34 C ATOM 166 C ARG A 12 10.574 -2.912 19.126 1.00 14.04 C ATOM 167 O ARG A 12 9.736 -2.810 20.022 1.00 3.32 O ATOM 168 CB ARG A 12 12.430 -4.588 19.167 1.00 32.45 C ATOM 169 CG ARG A 12 12.434 -5.501 20.383 1.00 64.43 C ATOM 170 CD ARG A 12 13.845 -5.725 20.906 1.00 14.43 C ATOM 171 NE ARG A 12 14.726 -6.283 19.884 1.00 32.45 N ATOM 172 CZ ARG A 12 15.937 -6.765 20.142 1.00 52.33 C ATOM 173 NH1 ARG A 12 16.408 -6.756 21.381 1.00 11.21 N ATOM 174 NH2 ARG A 12 16.679 -7.257 19.158 1.00 3.32 N ATOM 0 HA ARG A 12 10.332 -5.033 19.011 1.00 23.34 H new ATOM 0 HB2 ARG A 12 13.018 -5.050 18.374 1.00 32.45 H new ATOM 0 HB3 ARG A 12 12.924 -3.651 19.425 1.00 32.45 H new ATOM 0 HG2 ARG A 12 11.818 -5.064 21.169 1.00 64.43 H new ATOM 0 HG3 ARG A 12 11.985 -6.459 20.122 1.00 64.43 H new ATOM 0 HD2 ARG A 12 14.255 -4.779 21.260 1.00 14.43 H new ATOM 0 HD3 ARG A 12 13.811 -6.398 21.762 1.00 14.43 H new ATOM 0 HE ARG A 12 14.394 -6.304 18.920 1.00 32.45 H new ATOM 0 HH11 ARG A 12 15.840 -6.378 22.140 1.00 11.21 H new ATOM 0 HH12 ARG A 12 17.338 -7.127 21.576 1.00 11.21 H new ATOM 0 HH21 ARG A 12 16.320 -7.265 18.203 1.00 3.32 H new ATOM 0 HH22 ARG A 12 17.609 -7.627 19.356 1.00 3.32 H new ATOM 188 N GLU A 13 11.132 -1.862 18.533 1.00 3.53 N ATOM 189 CA GLU A 13 10.785 -0.497 18.912 1.00 14.00 C ATOM 190 C GLU A 13 9.336 -0.183 18.547 1.00 24.45 C ATOM 191 O GLU A 13 8.753 0.777 19.049 1.00 42.44 O ATOM 192 CB GLU A 13 11.722 0.500 18.228 1.00 52.44 C ATOM 193 CG GLU A 13 13.107 0.559 18.849 1.00 10.12 C ATOM 194 CD GLU A 13 13.199 1.571 19.975 1.00 50.23 C ATOM 195 OE1 GLU A 13 12.451 2.570 19.938 1.00 53.02 O ATOM 196 OE2 GLU A 13 14.020 1.363 20.893 1.00 52.42 O ATOM 0 H GLU A 13 11.826 -1.930 17.789 1.00 3.53 H new ATOM 0 HA GLU A 13 10.898 -0.407 19.992 1.00 14.00 H new ATOM 0 HB2 GLU A 13 11.816 0.234 17.175 1.00 52.44 H new ATOM 0 HB3 GLU A 13 11.273 1.493 18.267 1.00 52.44 H new ATOM 0 HG2 GLU A 13 13.373 -0.427 19.229 1.00 10.12 H new ATOM 0 HG3 GLU A 13 13.836 0.811 18.079 1.00 10.12 H new ATOM 203 N ALA A 14 8.763 -1.001 17.671 1.00 73.12 N ATOM 204 CA ALA A 14 7.383 -0.813 17.240 1.00 41.33 C ATOM 205 C ALA A 14 6.406 -1.160 18.358 1.00 3.51 C ATOM 206 O ALA A 14 5.397 -0.479 18.548 1.00 70.40 O ATOM 207 CB ALA A 14 7.096 -1.655 16.006 1.00 61.04 C ATOM 0 H ALA A 14 9.233 -1.800 17.246 1.00 73.12 H new ATOM 0 HA ALA A 14 7.248 0.239 16.988 1.00 41.33 H new ATOM 0 HB1 ALA A 14 6.062 -1.505 15.695 1.00 61.04 H new ATOM 0 HB2 ALA A 14 7.765 -1.357 15.198 1.00 61.04 H new ATOM 0 HB3 ALA A 14 7.255 -2.708 16.239 1.00 61.04 H new ATOM 213 N LEU A 15 6.712 -2.221 19.096 1.00 74.33 N ATOM 214 CA LEU A 15 5.860 -2.659 20.196 1.00 74.31 C ATOM 215 C LEU A 15 5.956 -1.697 21.375 1.00 14.23 C ATOM 216 O LEU A 15 4.964 -1.433 22.058 1.00 45.05 O ATOM 217 CB LEU A 15 6.252 -4.069 20.641 1.00 73.45 C ATOM 218 CG LEU A 15 7.440 -4.165 21.599 1.00 74.14 C ATOM 219 CD1 LEU A 15 6.958 -4.255 23.038 1.00 3.34 C ATOM 220 CD2 LEU A 15 8.311 -5.363 21.250 1.00 73.20 C ATOM 0 H LEU A 15 7.544 -2.794 18.953 1.00 74.33 H new ATOM 0 HA LEU A 15 4.829 -2.670 19.842 1.00 74.31 H new ATOM 0 HB2 LEU A 15 5.388 -4.531 21.118 1.00 73.45 H new ATOM 0 HB3 LEU A 15 6.479 -4.659 19.753 1.00 73.45 H new ATOM 0 HG LEU A 15 8.041 -3.262 21.494 1.00 74.14 H new ATOM 0 HD11 LEU A 15 7.817 -4.323 23.706 1.00 3.34 H new ATOM 0 HD12 LEU A 15 6.377 -3.366 23.283 1.00 3.34 H new ATOM 0 HD13 LEU A 15 6.334 -5.141 23.158 1.00 3.34 H new ATOM 0 HD21 LEU A 15 9.152 -5.416 21.942 1.00 73.20 H new ATOM 0 HD22 LEU A 15 7.721 -6.276 21.326 1.00 73.20 H new ATOM 0 HD23 LEU A 15 8.685 -5.256 20.232 1.00 73.20 H new ATOM 232 N LEU A 16 7.154 -1.173 21.609 1.00 70.40 N ATOM 233 CA LEU A 16 7.380 -0.237 22.705 1.00 74.41 C ATOM 234 C LEU A 16 6.664 1.085 22.448 1.00 43.04 C ATOM 235 O LEU A 16 6.037 1.647 23.345 1.00 1.52 O ATOM 236 CB LEU A 16 8.878 0.008 22.892 1.00 51.12 C ATOM 237 CG LEU A 16 9.770 -1.233 22.863 1.00 61.42 C ATOM 238 CD1 LEU A 16 11.228 -0.839 22.688 1.00 43.35 C ATOM 239 CD2 LEU A 16 9.586 -2.052 24.132 1.00 22.22 C ATOM 0 H LEU A 16 7.984 -1.380 21.054 1.00 70.40 H new ATOM 0 HA LEU A 16 6.974 -0.677 23.616 1.00 74.41 H new ATOM 0 HB2 LEU A 16 9.214 0.691 22.112 1.00 51.12 H new ATOM 0 HB3 LEU A 16 9.027 0.515 23.845 1.00 51.12 H new ATOM 0 HG LEU A 16 9.476 -1.847 22.012 1.00 61.42 H new ATOM 0 HD11 LEU A 16 11.848 -1.736 22.670 1.00 43.35 H new ATOM 0 HD12 LEU A 16 11.348 -0.296 21.751 1.00 43.35 H new ATOM 0 HD13 LEU A 16 11.535 -0.203 23.518 1.00 43.35 H new ATOM 0 HD21 LEU A 16 10.229 -2.932 24.094 1.00 22.22 H new ATOM 0 HD22 LEU A 16 9.852 -1.446 24.998 1.00 22.22 H new ATOM 0 HD23 LEU A 16 8.546 -2.366 24.215 1.00 22.22 H new ATOM 251 N TRP A 17 6.761 1.574 21.217 1.00 45.22 N ATOM 252 CA TRP A 17 6.122 2.830 20.841 1.00 75.21 C ATOM 253 C TRP A 17 4.613 2.652 20.704 1.00 44.51 C ATOM 254 O TRP A 17 3.844 3.573 20.978 1.00 73.14 O ATOM 255 CB TRP A 17 6.707 3.351 19.528 1.00 45.52 C ATOM 256 CG TRP A 17 6.819 4.845 19.479 1.00 2.33 C ATOM 257 CD1 TRP A 17 5.855 5.727 19.082 1.00 34.14 C ATOM 258 CD2 TRP A 17 7.961 5.631 19.839 1.00 53.45 C ATOM 259 NE1 TRP A 17 6.328 7.014 19.173 1.00 32.32 N ATOM 260 CE2 TRP A 17 7.617 6.982 19.635 1.00 12.24 C ATOM 261 CE3 TRP A 17 9.239 5.326 20.314 1.00 73.01 C ATOM 262 CZ2 TRP A 17 8.506 8.023 19.890 1.00 21.24 C ATOM 263 CZ3 TRP A 17 10.120 6.360 20.566 1.00 22.22 C ATOM 264 CH2 TRP A 17 9.751 7.695 20.355 1.00 73.10 C ATOM 0 H TRP A 17 7.276 1.120 20.462 1.00 45.22 H new ATOM 0 HA TRP A 17 6.314 3.557 21.630 1.00 75.21 H new ATOM 0 HB2 TRP A 17 7.695 2.915 19.380 1.00 45.52 H new ATOM 0 HB3 TRP A 17 6.082 3.013 18.701 1.00 45.52 H new ATOM 0 HD1 TRP A 17 4.866 5.453 18.746 1.00 34.14 H new ATOM 0 HE1 TRP A 17 5.804 7.856 18.935 1.00 32.32 H new ATOM 0 HE3 TRP A 17 9.533 4.300 20.481 1.00 73.01 H new ATOM 0 HZ2 TRP A 17 8.223 9.052 19.727 1.00 21.24 H new ATOM 0 HZ3 TRP A 17 11.111 6.135 20.932 1.00 22.22 H new ATOM 0 HH2 TRP A 17 10.462 8.480 20.563 1.00 73.10 H new ATOM 275 N ALA A 18 4.198 1.464 20.279 1.00 32.21 N ATOM 276 CA ALA A 18 2.781 1.166 20.108 1.00 1.14 C ATOM 277 C ALA A 18 2.095 0.969 21.456 1.00 23.10 C ATOM 278 O ALA A 18 1.183 1.714 21.815 1.00 52.52 O ATOM 279 CB ALA A 18 2.603 -0.069 19.237 1.00 15.35 C ATOM 0 H ALA A 18 4.823 0.692 20.047 1.00 32.21 H new ATOM 0 HA ALA A 18 2.313 2.017 19.613 1.00 1.14 H new ATOM 0 HB1 ALA A 18 1.540 -0.280 19.118 1.00 15.35 H new ATOM 0 HB2 ALA A 18 3.050 0.108 18.259 1.00 15.35 H new ATOM 0 HB3 ALA A 18 3.091 -0.921 19.710 1.00 15.35 H new ATOM 285 N LEU A 19 2.539 -0.039 22.198 1.00 22.25 N ATOM 286 CA LEU A 19 1.967 -0.335 23.508 1.00 64.15 C ATOM 287 C LEU A 19 1.874 0.927 24.359 1.00 5.00 C ATOM 288 O LEU A 19 0.989 1.054 25.204 1.00 33.33 O ATOM 289 CB LEU A 19 2.810 -1.389 24.228 1.00 43.02 C ATOM 290 CG LEU A 19 4.167 -0.919 24.754 1.00 14.43 C ATOM 291 CD1 LEU A 19 4.007 -0.229 26.100 1.00 33.24 C ATOM 292 CD2 LEU A 19 5.132 -2.090 24.864 1.00 35.13 C ATOM 0 H LEU A 19 3.293 -0.665 21.916 1.00 22.25 H new ATOM 0 HA LEU A 19 0.960 -0.725 23.358 1.00 64.15 H new ATOM 0 HB2 LEU A 19 2.232 -1.776 25.067 1.00 43.02 H new ATOM 0 HB3 LEU A 19 2.976 -2.221 23.544 1.00 43.02 H new ATOM 0 HG LEU A 19 4.580 -0.200 24.047 1.00 14.43 H new ATOM 0 HD11 LEU A 19 4.983 0.099 26.459 1.00 33.24 H new ATOM 0 HD12 LEU A 19 3.352 0.635 25.990 1.00 33.24 H new ATOM 0 HD13 LEU A 19 3.572 -0.926 26.817 1.00 33.24 H new ATOM 0 HD21 LEU A 19 6.092 -1.736 25.240 1.00 35.13 H new ATOM 0 HD22 LEU A 19 4.725 -2.833 25.550 1.00 35.13 H new ATOM 0 HD23 LEU A 19 5.271 -2.541 23.881 1.00 35.13 H new ATOM 304 N SER A 20 2.794 1.859 24.129 1.00 55.25 N ATOM 305 CA SER A 20 2.816 3.111 24.876 1.00 44.45 C ATOM 306 C SER A 20 1.959 4.170 24.188 1.00 64.21 C ATOM 307 O SER A 20 1.544 5.148 24.810 1.00 72.14 O ATOM 308 CB SER A 20 4.253 3.617 25.020 1.00 11.24 C ATOM 309 OG SER A 20 4.579 4.531 23.987 1.00 34.40 O ATOM 0 H SER A 20 3.533 1.771 23.432 1.00 55.25 H new ATOM 0 HA SER A 20 2.403 2.922 25.867 1.00 44.45 H new ATOM 0 HB2 SER A 20 4.376 4.100 25.989 1.00 11.24 H new ATOM 0 HB3 SER A 20 4.943 2.774 24.994 1.00 11.24 H new ATOM 0 HG SER A 20 4.365 4.132 23.118 1.00 34.40 H new ATOM 315 N ASP A 21 1.699 3.967 22.901 1.00 22.31 N ATOM 316 CA ASP A 21 0.891 4.902 22.127 1.00 10.05 C ATOM 317 C ASP A 21 -0.547 4.927 22.636 1.00 72.34 C ATOM 318 O ASP A 21 -1.203 5.970 22.625 1.00 22.53 O ATOM 319 CB ASP A 21 0.915 4.525 20.645 1.00 11.24 C ATOM 320 CG ASP A 21 1.433 5.650 19.770 1.00 24.54 C ATOM 321 OD1 ASP A 21 0.718 6.662 19.618 1.00 34.24 O ATOM 322 OD2 ASP A 21 2.555 5.518 19.238 1.00 22.44 O ATOM 0 H ASP A 21 2.036 3.163 22.372 1.00 22.31 H new ATOM 0 HA ASP A 21 1.317 5.898 22.247 1.00 10.05 H new ATOM 0 HB2 ASP A 21 1.541 3.644 20.507 1.00 11.24 H new ATOM 0 HB3 ASP A 21 -0.091 4.254 20.326 1.00 11.24 H new ATOM 327 N LEU A 22 -1.033 3.772 23.079 1.00 44.24 N ATOM 328 CA LEU A 22 -2.394 3.661 23.590 1.00 32.51 C ATOM 329 C LEU A 22 -2.467 4.108 25.046 1.00 12.24 C ATOM 330 O LEU A 22 -1.454 4.151 25.743 1.00 12.15 O ATOM 331 CB LEU A 22 -2.892 2.220 23.462 1.00 64.31 C ATOM 332 CG LEU A 22 -1.827 1.129 23.584 1.00 31.23 C ATOM 333 CD1 LEU A 22 -2.379 -0.074 24.334 1.00 50.11 C ATOM 334 CD2 LEU A 22 -1.325 0.717 22.208 1.00 5.22 C ATOM 0 H LEU A 22 -0.504 2.900 23.094 1.00 44.24 H new ATOM 0 HA LEU A 22 -3.033 4.314 22.996 1.00 32.51 H new ATOM 0 HB2 LEU A 22 -3.649 2.049 24.228 1.00 64.31 H new ATOM 0 HB3 LEU A 22 -3.386 2.112 22.496 1.00 64.31 H new ATOM 0 HG LEU A 22 -0.986 1.530 24.150 1.00 31.23 H new ATOM 0 HD11 LEU A 22 -1.607 -0.840 24.411 1.00 50.11 H new ATOM 0 HD12 LEU A 22 -2.689 0.231 25.334 1.00 50.11 H new ATOM 0 HD13 LEU A 22 -3.237 -0.476 23.795 1.00 50.11 H new ATOM 0 HD21 LEU A 22 -0.568 -0.060 22.314 1.00 5.22 H new ATOM 0 HD22 LEU A 22 -2.157 0.334 21.617 1.00 5.22 H new ATOM 0 HD23 LEU A 22 -0.890 1.581 21.706 1.00 5.22 H new ATOM 346 N GLU A 23 -3.673 4.438 25.499 1.00 42.41 N ATOM 347 CA GLU A 23 -3.877 4.881 26.873 1.00 12.21 C ATOM 348 C GLU A 23 -3.759 3.711 27.845 1.00 23.12 C ATOM 349 O GLU A 23 -3.749 2.550 27.436 1.00 3.43 O ATOM 350 CB GLU A 23 -5.249 5.544 27.020 1.00 24.23 C ATOM 351 CG GLU A 23 -5.327 6.927 26.396 1.00 64.23 C ATOM 352 CD GLU A 23 -6.482 7.747 26.937 1.00 64.14 C ATOM 353 OE1 GLU A 23 -7.644 7.328 26.752 1.00 44.15 O ATOM 354 OE2 GLU A 23 -6.224 8.807 27.544 1.00 31.23 O ATOM 0 H GLU A 23 -4.522 4.407 24.935 1.00 42.41 H new ATOM 0 HA GLU A 23 -3.102 5.609 27.112 1.00 12.21 H new ATOM 0 HB2 GLU A 23 -6.003 4.905 26.561 1.00 24.23 H new ATOM 0 HB3 GLU A 23 -5.496 5.618 28.079 1.00 24.23 H new ATOM 0 HG2 GLU A 23 -4.393 7.457 26.579 1.00 64.23 H new ATOM 0 HG3 GLU A 23 -5.431 6.829 25.315 1.00 64.23 H new ATOM 361 N GLU A 24 -3.669 4.026 29.134 1.00 44.04 N ATOM 362 CA GLU A 24 -3.549 3.001 30.164 1.00 72.35 C ATOM 363 C GLU A 24 -4.849 2.213 30.300 1.00 62.53 C ATOM 364 O GLU A 24 -4.833 1.009 30.554 1.00 11.14 O ATOM 365 CB GLU A 24 -3.182 3.636 31.506 1.00 22.43 C ATOM 366 CG GLU A 24 -3.925 4.930 31.791 1.00 32.24 C ATOM 367 CD GLU A 24 -4.121 5.176 33.275 1.00 70.42 C ATOM 368 OE1 GLU A 24 -3.213 4.826 34.058 1.00 11.52 O ATOM 369 OE2 GLU A 24 -5.181 5.716 33.652 1.00 13.33 O ATOM 0 H GLU A 24 -3.677 4.982 29.489 1.00 44.04 H new ATOM 0 HA GLU A 24 -2.757 2.314 29.867 1.00 72.35 H new ATOM 0 HB2 GLU A 24 -3.391 2.924 32.304 1.00 22.43 H new ATOM 0 HB3 GLU A 24 -2.110 3.831 31.525 1.00 22.43 H new ATOM 0 HG2 GLU A 24 -3.373 5.764 31.358 1.00 32.24 H new ATOM 0 HG3 GLU A 24 -4.898 4.902 31.300 1.00 32.24 H new ATOM 376 N ASN A 25 -5.972 2.901 30.129 1.00 55.34 N ATOM 377 CA ASN A 25 -7.281 2.267 30.233 1.00 34.24 C ATOM 378 C ASN A 25 -7.565 1.400 29.010 1.00 32.15 C ATOM 379 O ASN A 25 -8.660 0.858 28.862 1.00 74.41 O ATOM 380 CB ASN A 25 -8.374 3.327 30.386 1.00 73.32 C ATOM 381 CG ASN A 25 -8.788 3.926 29.056 1.00 41.23 C ATOM 382 OD1 ASN A 25 -8.046 4.703 28.455 1.00 64.03 O ATOM 383 ND2 ASN A 25 -9.978 3.567 28.590 1.00 54.23 N ATOM 0 H ASN A 25 -6.002 3.898 29.918 1.00 55.34 H new ATOM 0 HA ASN A 25 -7.278 1.628 31.116 1.00 34.24 H new ATOM 0 HB2 ASN A 25 -9.244 2.881 30.867 1.00 73.32 H new ATOM 0 HB3 ASN A 25 -8.018 4.120 31.044 1.00 73.32 H new ATOM 0 HD21 ASN A 25 -10.310 3.938 27.700 1.00 54.23 H new ATOM 0 HD22 ASN A 25 -10.560 2.920 29.122 1.00 54.23 H new ATOM 390 N ASP A 26 -6.571 1.274 28.138 1.00 32.32 N ATOM 391 CA ASP A 26 -6.713 0.471 26.929 1.00 44.33 C ATOM 392 C ASP A 26 -5.802 -0.751 26.978 1.00 21.52 C ATOM 393 O ASP A 26 -6.259 -1.885 26.831 1.00 62.24 O ATOM 394 CB ASP A 26 -6.391 1.313 25.693 1.00 61.45 C ATOM 395 CG ASP A 26 -7.546 2.205 25.283 1.00 70.23 C ATOM 396 OD1 ASP A 26 -8.212 2.764 26.180 1.00 61.53 O ATOM 397 OD2 ASP A 26 -7.784 2.345 24.065 1.00 2.00 O ATOM 0 H ASP A 26 -5.659 1.717 28.246 1.00 32.32 H new ATOM 0 HA ASP A 26 -7.746 0.129 26.868 1.00 44.33 H new ATOM 0 HB2 ASP A 26 -5.514 1.928 25.895 1.00 61.45 H new ATOM 0 HB3 ASP A 26 -6.134 0.653 24.865 1.00 61.45 H new ATOM 402 N PHE A 27 -4.511 -0.514 27.186 1.00 51.52 N ATOM 403 CA PHE A 27 -3.535 -1.595 27.253 1.00 74.23 C ATOM 404 C PHE A 27 -3.883 -2.573 28.372 1.00 43.42 C ATOM 405 O PHE A 27 -3.921 -3.785 28.163 1.00 33.41 O ATOM 406 CB PHE A 27 -2.130 -1.030 27.471 1.00 33.35 C ATOM 407 CG PHE A 27 -1.038 -2.035 27.242 1.00 62.20 C ATOM 408 CD1 PHE A 27 -1.334 -3.305 26.773 1.00 22.14 C ATOM 409 CD2 PHE A 27 0.285 -1.710 27.494 1.00 1.23 C ATOM 410 CE1 PHE A 27 -0.330 -4.232 26.562 1.00 14.22 C ATOM 411 CE2 PHE A 27 1.293 -2.632 27.285 1.00 71.25 C ATOM 412 CZ PHE A 27 0.985 -3.895 26.817 1.00 54.42 C ATOM 0 H PHE A 27 -4.116 0.418 27.311 1.00 51.52 H new ATOM 0 HA PHE A 27 -3.559 -2.132 26.305 1.00 74.23 H new ATOM 0 HB2 PHE A 27 -1.980 -0.183 26.802 1.00 33.35 H new ATOM 0 HB3 PHE A 27 -2.054 -0.649 28.489 1.00 33.35 H new ATOM 0 HD1 PHE A 27 -2.360 -3.574 26.570 1.00 22.14 H new ATOM 0 HD2 PHE A 27 0.532 -0.724 27.858 1.00 1.23 H new ATOM 0 HE1 PHE A 27 -0.574 -5.219 26.198 1.00 14.22 H new ATOM 0 HE2 PHE A 27 2.320 -2.366 27.487 1.00 71.25 H new ATOM 0 HZ PHE A 27 1.771 -4.617 26.651 1.00 54.42 H new ATOM 422 N LYS A 28 -4.134 -2.036 29.561 1.00 55.11 N ATOM 423 CA LYS A 28 -4.479 -2.858 30.714 1.00 35.25 C ATOM 424 C LYS A 28 -5.646 -3.787 30.391 1.00 2.35 C ATOM 425 O LYS A 28 -5.608 -4.978 30.699 1.00 62.42 O ATOM 426 CB LYS A 28 -4.835 -1.972 31.910 1.00 14.12 C ATOM 427 CG LYS A 28 -5.674 -2.677 32.962 1.00 22.50 C ATOM 428 CD LYS A 28 -4.851 -3.685 33.747 1.00 31.22 C ATOM 429 CE LYS A 28 -5.174 -3.632 35.233 1.00 41.05 C ATOM 430 NZ LYS A 28 -6.258 -4.585 35.599 1.00 22.11 N ATOM 0 H LYS A 28 -4.105 -1.034 29.751 1.00 55.11 H new ATOM 0 HA LYS A 28 -3.611 -3.467 30.966 1.00 35.25 H new ATOM 0 HB2 LYS A 28 -3.915 -1.613 32.372 1.00 14.12 H new ATOM 0 HB3 LYS A 28 -5.376 -1.095 31.554 1.00 14.12 H new ATOM 0 HG2 LYS A 28 -6.097 -1.940 33.645 1.00 22.50 H new ATOM 0 HG3 LYS A 28 -6.511 -3.184 32.482 1.00 22.50 H new ATOM 0 HD2 LYS A 28 -5.044 -4.688 33.367 1.00 31.22 H new ATOM 0 HD3 LYS A 28 -3.790 -3.486 33.597 1.00 31.22 H new ATOM 0 HE2 LYS A 28 -4.277 -3.863 35.808 1.00 41.05 H new ATOM 0 HE3 LYS A 28 -5.474 -2.620 35.504 1.00 41.05 H new ATOM 0 HZ1 LYS A 28 -6.182 -4.827 36.608 1.00 22.11 H new ATOM 0 HZ2 LYS A 28 -7.183 -4.145 35.417 1.00 22.11 H new ATOM 0 HZ3 LYS A 28 -6.168 -5.450 35.028 1.00 22.11 H new ATOM 444 N LYS A 29 -6.681 -3.234 29.769 1.00 72.04 N ATOM 445 CA LYS A 29 -7.858 -4.012 29.401 1.00 61.52 C ATOM 446 C LYS A 29 -7.466 -5.234 28.575 1.00 51.40 C ATOM 447 O LYS A 29 -8.104 -6.284 28.660 1.00 50.00 O ATOM 448 CB LYS A 29 -8.843 -3.145 28.613 1.00 24.41 C ATOM 449 CG LYS A 29 -10.044 -2.696 29.427 1.00 23.42 C ATOM 450 CD LYS A 29 -9.696 -1.531 30.338 1.00 1.10 C ATOM 451 CE LYS A 29 -9.978 -1.859 31.796 1.00 34.40 C ATOM 452 NZ LYS A 29 -11.433 -2.058 32.048 1.00 5.12 N ATOM 0 H LYS A 29 -6.729 -2.249 29.509 1.00 72.04 H new ATOM 0 HA LYS A 29 -8.338 -4.354 30.318 1.00 61.52 H new ATOM 0 HB2 LYS A 29 -8.320 -2.266 28.237 1.00 24.41 H new ATOM 0 HB3 LYS A 29 -9.192 -3.704 27.744 1.00 24.41 H new ATOM 0 HG2 LYS A 29 -10.852 -2.405 28.755 1.00 23.42 H new ATOM 0 HG3 LYS A 29 -10.411 -3.530 30.025 1.00 23.42 H new ATOM 0 HD2 LYS A 29 -8.643 -1.276 30.219 1.00 1.10 H new ATOM 0 HD3 LYS A 29 -10.271 -0.653 30.044 1.00 1.10 H new ATOM 0 HE2 LYS A 29 -9.434 -2.761 32.077 1.00 34.40 H new ATOM 0 HE3 LYS A 29 -9.607 -1.052 32.428 1.00 34.40 H new ATOM 0 HZ1 LYS A 29 -11.613 -2.043 33.072 1.00 5.12 H new ATOM 0 HZ2 LYS A 29 -11.972 -1.295 31.591 1.00 5.12 H new ATOM 0 HZ3 LYS A 29 -11.731 -2.975 31.657 1.00 5.12 H new ATOM 466 N LEU A 30 -6.413 -5.090 27.778 1.00 54.23 N ATOM 467 CA LEU A 30 -5.935 -6.182 26.937 1.00 33.22 C ATOM 468 C LEU A 30 -5.188 -7.221 27.767 1.00 34.24 C ATOM 469 O LEU A 30 -5.528 -8.404 27.753 1.00 33.43 O ATOM 470 CB LEU A 30 -5.023 -5.642 25.835 1.00 40.13 C ATOM 471 CG LEU A 30 -5.310 -4.215 25.365 1.00 73.53 C ATOM 472 CD1 LEU A 30 -4.365 -3.823 24.240 1.00 60.42 C ATOM 473 CD2 LEU A 30 -6.759 -4.083 24.917 1.00 3.01 C ATOM 0 H LEU A 30 -5.874 -4.228 27.696 1.00 54.23 H new ATOM 0 HA LEU A 30 -6.801 -6.662 26.481 1.00 33.22 H new ATOM 0 HB2 LEU A 30 -3.993 -5.686 26.189 1.00 40.13 H new ATOM 0 HB3 LEU A 30 -5.093 -6.308 24.975 1.00 40.13 H new ATOM 0 HG LEU A 30 -5.146 -3.537 26.202 1.00 73.53 H new ATOM 0 HD11 LEU A 30 -4.584 -2.805 23.919 1.00 60.42 H new ATOM 0 HD12 LEU A 30 -3.335 -3.878 24.594 1.00 60.42 H new ATOM 0 HD13 LEU A 30 -4.497 -4.505 23.400 1.00 60.42 H new ATOM 0 HD21 LEU A 30 -6.946 -3.061 24.586 1.00 3.01 H new ATOM 0 HD22 LEU A 30 -6.950 -4.772 24.094 1.00 3.01 H new ATOM 0 HD23 LEU A 30 -7.421 -4.321 25.750 1.00 3.01 H new ATOM 485 N LYS A 31 -4.170 -6.771 28.492 1.00 2.10 N ATOM 486 CA LYS A 31 -3.376 -7.660 29.332 1.00 2.41 C ATOM 487 C LYS A 31 -4.261 -8.399 30.330 1.00 23.15 C ATOM 488 O LYS A 31 -3.927 -9.497 30.776 1.00 32.23 O ATOM 489 CB LYS A 31 -2.301 -6.865 30.078 1.00 71.23 C ATOM 490 CG LYS A 31 -1.215 -6.311 29.171 1.00 34.52 C ATOM 491 CD LYS A 31 -0.572 -7.407 28.338 1.00 24.35 C ATOM 492 CE LYS A 31 0.924 -7.181 28.180 1.00 21.23 C ATOM 493 NZ LYS A 31 1.643 -7.294 29.480 1.00 73.43 N ATOM 0 H LYS A 31 -3.875 -5.795 28.515 1.00 2.10 H new ATOM 0 HA LYS A 31 -2.894 -8.395 28.687 1.00 2.41 H new ATOM 0 HB2 LYS A 31 -2.775 -6.040 30.610 1.00 71.23 H new ATOM 0 HB3 LYS A 31 -1.842 -7.507 30.830 1.00 71.23 H new ATOM 0 HG2 LYS A 31 -1.641 -5.554 28.512 1.00 34.52 H new ATOM 0 HG3 LYS A 31 -0.453 -5.817 29.774 1.00 34.52 H new ATOM 0 HD2 LYS A 31 -0.747 -8.374 28.809 1.00 24.35 H new ATOM 0 HD3 LYS A 31 -1.042 -7.442 27.355 1.00 24.35 H new ATOM 0 HE2 LYS A 31 1.329 -7.909 27.477 1.00 21.23 H new ATOM 0 HE3 LYS A 31 1.099 -6.194 27.753 1.00 21.23 H new ATOM 0 HZ1 LYS A 31 2.657 -7.117 29.332 1.00 73.43 H new ATOM 0 HZ2 LYS A 31 1.263 -6.594 30.149 1.00 73.43 H new ATOM 0 HZ3 LYS A 31 1.512 -8.250 29.867 1.00 73.43 H new ATOM 507 N PHE A 32 -5.391 -7.791 30.676 1.00 25.05 N ATOM 508 CA PHE A 32 -6.324 -8.392 31.622 1.00 62.41 C ATOM 509 C PHE A 32 -6.960 -9.648 31.034 1.00 74.23 C ATOM 510 O PHE A 32 -6.989 -10.700 31.672 1.00 30.44 O ATOM 511 CB PHE A 32 -7.412 -7.388 32.006 1.00 1.42 C ATOM 512 CG PHE A 32 -7.932 -7.573 33.403 1.00 55.41 C ATOM 513 CD1 PHE A 32 -7.078 -7.495 34.491 1.00 62.12 C ATOM 514 CD2 PHE A 32 -9.276 -7.823 33.628 1.00 73.50 C ATOM 515 CE1 PHE A 32 -7.554 -7.666 35.777 1.00 53.21 C ATOM 516 CE2 PHE A 32 -9.759 -7.995 34.912 1.00 43.40 C ATOM 517 CZ PHE A 32 -8.896 -7.915 35.988 1.00 55.41 C ATOM 0 H PHE A 32 -5.683 -6.883 30.315 1.00 25.05 H new ATOM 0 HA PHE A 32 -5.766 -8.672 32.516 1.00 62.41 H new ATOM 0 HB2 PHE A 32 -7.015 -6.378 31.905 1.00 1.42 H new ATOM 0 HB3 PHE A 32 -8.241 -7.476 31.304 1.00 1.42 H new ATOM 0 HD1 PHE A 32 -6.028 -7.298 34.332 1.00 62.12 H new ATOM 0 HD2 PHE A 32 -9.955 -7.884 32.790 1.00 73.50 H new ATOM 0 HE1 PHE A 32 -6.877 -7.605 36.616 1.00 53.21 H new ATOM 0 HE2 PHE A 32 -10.809 -8.191 35.074 1.00 43.40 H new ATOM 0 HZ PHE A 32 -9.270 -8.047 36.992 1.00 55.41 H new ATOM 527 N TYR A 33 -7.470 -9.529 29.813 1.00 71.31 N ATOM 528 CA TYR A 33 -8.109 -10.653 29.139 1.00 73.14 C ATOM 529 C TYR A 33 -7.112 -11.398 28.256 1.00 0.25 C ATOM 530 O TYR A 33 -6.933 -12.610 28.387 1.00 53.41 O ATOM 531 CB TYR A 33 -9.288 -10.165 28.295 1.00 33.21 C ATOM 532 CG TYR A 33 -10.595 -10.848 28.629 1.00 73.21 C ATOM 533 CD1 TYR A 33 -10.672 -12.232 28.734 1.00 44.32 C ATOM 534 CD2 TYR A 33 -11.754 -10.111 28.838 1.00 1.33 C ATOM 535 CE1 TYR A 33 -11.864 -12.860 29.038 1.00 64.42 C ATOM 536 CE2 TYR A 33 -12.950 -10.731 29.144 1.00 2.42 C ATOM 537 CZ TYR A 33 -13.000 -12.106 29.243 1.00 43.53 C ATOM 538 OH TYR A 33 -14.189 -12.727 29.546 1.00 55.02 O ATOM 0 H TYR A 33 -7.453 -8.666 29.270 1.00 71.31 H new ATOM 0 HA TYR A 33 -8.475 -11.340 29.902 1.00 73.14 H new ATOM 0 HB2 TYR A 33 -9.403 -9.090 28.434 1.00 33.21 H new ATOM 0 HB3 TYR A 33 -9.062 -10.327 27.241 1.00 33.21 H new ATOM 0 HD1 TYR A 33 -9.784 -12.826 28.575 1.00 44.32 H new ATOM 0 HD2 TYR A 33 -11.719 -9.034 28.760 1.00 1.33 H new ATOM 0 HE1 TYR A 33 -11.906 -13.936 29.115 1.00 64.42 H new ATOM 0 HE2 TYR A 33 -13.841 -10.142 29.305 1.00 2.42 H new ATOM 0 HH TYR A 33 -14.891 -12.052 29.661 1.00 55.02 H new ATOM 548 N LEU A 34 -6.464 -10.664 27.358 1.00 21.34 N ATOM 549 CA LEU A 34 -5.483 -11.253 26.454 1.00 62.35 C ATOM 550 C LEU A 34 -4.435 -12.046 27.228 1.00 60.31 C ATOM 551 O LEU A 34 -4.273 -13.249 27.019 1.00 2.31 O ATOM 552 CB LEU A 34 -4.803 -10.161 25.625 1.00 34.34 C ATOM 553 CG LEU A 34 -5.592 -9.642 24.423 1.00 71.44 C ATOM 554 CD1 LEU A 34 -5.814 -10.755 23.410 1.00 41.24 C ATOM 555 CD2 LEU A 34 -6.922 -9.054 24.871 1.00 41.44 C ATOM 0 H LEU A 34 -6.600 -9.660 27.237 1.00 21.34 H new ATOM 0 HA LEU A 34 -6.007 -11.936 25.785 1.00 62.35 H new ATOM 0 HB2 LEU A 34 -4.583 -9.319 26.281 1.00 34.34 H new ATOM 0 HB3 LEU A 34 -3.847 -10.545 25.268 1.00 34.34 H new ATOM 0 HG LEU A 34 -5.011 -8.853 23.945 1.00 71.44 H new ATOM 0 HD11 LEU A 34 -6.377 -10.367 22.561 1.00 41.24 H new ATOM 0 HD12 LEU A 34 -4.851 -11.131 23.065 1.00 41.24 H new ATOM 0 HD13 LEU A 34 -6.373 -11.566 23.877 1.00 41.24 H new ATOM 0 HD21 LEU A 34 -7.470 -8.690 24.002 1.00 41.44 H new ATOM 0 HD22 LEU A 34 -7.509 -9.823 25.374 1.00 41.44 H new ATOM 0 HD23 LEU A 34 -6.741 -8.228 25.559 1.00 41.44 H new ATOM 567 N ARG A 35 -3.728 -11.365 28.124 1.00 63.44 N ATOM 568 CA ARG A 35 -2.696 -12.006 28.930 1.00 33.52 C ATOM 569 C ARG A 35 -3.289 -13.127 29.780 1.00 3.53 C ATOM 570 O ARG A 35 -2.606 -14.096 30.112 1.00 45.42 O ATOM 571 CB ARG A 35 -2.009 -10.977 29.830 1.00 35.50 C ATOM 572 CG ARG A 35 -0.493 -11.075 29.819 1.00 23.14 C ATOM 573 CD ARG A 35 0.120 -10.366 31.018 1.00 75.45 C ATOM 574 NE ARG A 35 -0.214 -11.030 32.275 1.00 13.41 N ATOM 575 CZ ARG A 35 -1.204 -10.641 33.071 1.00 52.21 C ATOM 576 NH1 ARG A 35 -1.954 -9.598 32.741 1.00 61.21 N ATOM 577 NH2 ARG A 35 -1.446 -11.296 34.199 1.00 13.43 N ATOM 0 H ARG A 35 -3.851 -10.370 28.310 1.00 63.44 H new ATOM 0 HA ARG A 35 -1.957 -12.437 28.254 1.00 33.52 H new ATOM 0 HB2 ARG A 35 -2.302 -9.976 29.513 1.00 35.50 H new ATOM 0 HB3 ARG A 35 -2.366 -11.105 30.852 1.00 35.50 H new ATOM 0 HG2 ARG A 35 -0.195 -12.123 29.823 1.00 23.14 H new ATOM 0 HG3 ARG A 35 -0.106 -10.637 28.899 1.00 23.14 H new ATOM 0 HD2 ARG A 35 1.203 -10.330 30.903 1.00 75.45 H new ATOM 0 HD3 ARG A 35 -0.231 -9.335 31.048 1.00 75.45 H new ATOM 0 HE ARG A 35 0.343 -11.836 32.557 1.00 13.41 H new ATOM 0 HH11 ARG A 35 -1.771 -9.092 31.874 1.00 61.21 H new ATOM 0 HH12 ARG A 35 -2.713 -9.302 33.354 1.00 61.21 H new ATOM 0 HH21 ARG A 35 -0.872 -12.099 34.456 1.00 13.43 H new ATOM 0 HH22 ARG A 35 -2.206 -10.997 34.810 1.00 13.43 H new ATOM 591 N ASP A 36 -4.563 -12.986 30.130 1.00 64.00 N ATOM 592 CA ASP A 36 -5.248 -13.986 30.941 1.00 4.10 C ATOM 593 C ASP A 36 -5.225 -15.349 30.257 1.00 73.04 C ATOM 594 O ASP A 36 -4.790 -16.341 30.841 1.00 13.31 O ATOM 595 CB ASP A 36 -6.692 -13.557 31.205 1.00 61.33 C ATOM 596 CG ASP A 36 -6.955 -13.280 32.672 1.00 60.41 C ATOM 597 OD1 ASP A 36 -6.108 -12.623 33.312 1.00 33.12 O ATOM 598 OD2 ASP A 36 -8.007 -13.722 33.180 1.00 12.20 O ATOM 0 H ASP A 36 -5.142 -12.189 29.865 1.00 64.00 H new ATOM 0 HA ASP A 36 -4.723 -14.069 31.892 1.00 4.10 H new ATOM 0 HB2 ASP A 36 -6.914 -12.662 30.624 1.00 61.33 H new ATOM 0 HB3 ASP A 36 -7.369 -14.338 30.859 1.00 61.33 H new ATOM 603 N MET A 37 -5.698 -15.390 29.015 1.00 11.12 N ATOM 604 CA MET A 37 -5.732 -16.632 28.251 1.00 10.34 C ATOM 605 C MET A 37 -4.436 -16.825 27.470 1.00 33.11 C ATOM 606 O MET A 37 -3.683 -17.767 27.720 1.00 41.25 O ATOM 607 CB MET A 37 -6.924 -16.633 27.293 1.00 73.43 C ATOM 608 CG MET A 37 -7.838 -17.837 27.461 1.00 44.22 C ATOM 609 SD MET A 37 -9.152 -17.889 26.227 1.00 25.41 S ATOM 610 CE MET A 37 -10.575 -18.220 27.263 1.00 52.54 C ATOM 0 H MET A 37 -6.063 -14.578 28.517 1.00 11.12 H new ATOM 0 HA MET A 37 -5.839 -17.459 28.953 1.00 10.34 H new ATOM 0 HB2 MET A 37 -7.504 -15.723 27.446 1.00 73.43 H new ATOM 0 HB3 MET A 37 -6.556 -16.607 26.267 1.00 73.43 H new ATOM 0 HG2 MET A 37 -7.246 -18.750 27.394 1.00 44.22 H new ATOM 0 HG3 MET A 37 -8.281 -17.816 28.457 1.00 44.22 H new ATOM 0 HE1 MET A 37 -11.470 -18.281 26.644 1.00 52.54 H new ATOM 0 HE2 MET A 37 -10.432 -19.165 27.787 1.00 52.54 H new ATOM 0 HE3 MET A 37 -10.691 -17.416 27.990 1.00 52.54 H new ATOM 620 N THR A 38 -4.182 -15.928 26.523 1.00 41.33 N ATOM 621 CA THR A 38 -2.978 -16.001 25.704 1.00 13.42 C ATOM 622 C THR A 38 -1.753 -16.317 26.555 1.00 74.14 C ATOM 623 O THR A 38 -0.899 -17.111 26.160 1.00 61.55 O ATOM 624 CB THR A 38 -2.735 -14.683 24.944 1.00 30.02 C ATOM 625 OG1 THR A 38 -2.218 -13.690 25.838 1.00 73.44 O ATOM 626 CG2 THR A 38 -4.022 -14.180 24.308 1.00 10.43 C ATOM 0 H THR A 38 -4.794 -15.142 26.304 1.00 41.33 H new ATOM 0 HA THR A 38 -3.134 -16.804 24.983 1.00 13.42 H new ATOM 0 HB THR A 38 -2.009 -14.873 24.154 1.00 30.02 H new ATOM 0 HG1 THR A 38 -2.740 -13.693 26.667 1.00 73.44 H new ATOM 0 HG21 THR A 38 -3.826 -13.249 23.777 1.00 10.43 H new ATOM 0 HG22 THR A 38 -4.397 -14.925 23.607 1.00 10.43 H new ATOM 0 HG23 THR A 38 -4.767 -14.005 25.084 1.00 10.43 H new ATOM 634 N LEU A 39 -1.674 -15.692 27.724 1.00 25.11 N ATOM 635 CA LEU A 39 -0.552 -15.908 28.632 1.00 52.11 C ATOM 636 C LEU A 39 -0.997 -16.671 29.875 1.00 34.13 C ATOM 637 O LEU A 39 -2.154 -16.586 30.287 1.00 74.10 O ATOM 638 CB LEU A 39 0.067 -14.569 29.036 1.00 24.00 C ATOM 639 CG LEU A 39 1.182 -14.045 28.130 1.00 1.32 C ATOM 640 CD1 LEU A 39 0.605 -13.504 26.831 1.00 15.14 C ATOM 641 CD2 LEU A 39 1.989 -12.971 28.845 1.00 44.11 C ATOM 0 H LEU A 39 -2.372 -15.032 28.066 1.00 25.11 H new ATOM 0 HA LEU A 39 0.196 -16.505 28.110 1.00 52.11 H new ATOM 0 HB2 LEU A 39 -0.725 -13.821 29.073 1.00 24.00 H new ATOM 0 HB3 LEU A 39 0.462 -14.665 30.047 1.00 24.00 H new ATOM 0 HG LEU A 39 1.848 -14.873 27.890 1.00 1.32 H new ATOM 0 HD11 LEU A 39 1.413 -13.136 26.199 1.00 15.14 H new ATOM 0 HD12 LEU A 39 0.072 -14.299 26.311 1.00 15.14 H new ATOM 0 HD13 LEU A 39 -0.084 -12.689 27.051 1.00 15.14 H new ATOM 0 HD21 LEU A 39 2.778 -12.609 28.186 1.00 44.11 H new ATOM 0 HD22 LEU A 39 1.334 -12.143 29.115 1.00 44.11 H new ATOM 0 HD23 LEU A 39 2.434 -13.390 29.747 1.00 44.11 H new ATOM 784 N GLY A 49 0.217 3.678 36.725 1.00 74.34 N ATOM 785 CA GLY A 49 1.565 4.173 36.516 1.00 74.02 C ATOM 786 C GLY A 49 2.458 3.154 35.835 1.00 14.55 C ATOM 787 O GLY A 49 3.621 3.434 35.548 1.00 53.23 O ATOM 0 HA2 GLY A 49 1.526 5.079 35.911 1.00 74.02 H new ATOM 0 HA3 GLY A 49 2.000 4.449 37.476 1.00 74.02 H new ATOM 791 N GLU A 50 1.913 1.969 35.579 1.00 13.24 N ATOM 792 CA GLU A 50 2.670 0.905 34.931 1.00 40.11 C ATOM 793 C GLU A 50 2.957 1.252 33.473 1.00 53.22 C ATOM 794 O GLU A 50 3.997 0.881 32.927 1.00 11.23 O ATOM 795 CB GLU A 50 1.905 -0.417 35.011 1.00 72.51 C ATOM 796 CG GLU A 50 2.497 -1.404 36.003 1.00 63.54 C ATOM 797 CD GLU A 50 3.715 -2.123 35.454 1.00 74.21 C ATOM 798 OE1 GLU A 50 3.726 -2.434 34.245 1.00 72.03 O ATOM 799 OE2 GLU A 50 4.656 -2.374 36.235 1.00 64.42 O ATOM 0 H GLU A 50 0.951 1.722 35.810 1.00 13.24 H new ATOM 0 HA GLU A 50 3.620 0.799 35.455 1.00 40.11 H new ATOM 0 HB2 GLU A 50 0.871 -0.212 35.288 1.00 72.51 H new ATOM 0 HB3 GLU A 50 1.885 -0.876 34.023 1.00 72.51 H new ATOM 0 HG2 GLU A 50 2.772 -0.875 36.916 1.00 63.54 H new ATOM 0 HG3 GLU A 50 1.739 -2.138 36.276 1.00 63.54 H new ATOM 806 N LEU A 51 2.027 1.965 32.847 1.00 0.40 N ATOM 807 CA LEU A 51 2.178 2.363 31.452 1.00 61.14 C ATOM 808 C LEU A 51 2.619 3.819 31.345 1.00 43.21 C ATOM 809 O LEU A 51 3.582 4.136 30.648 1.00 65.12 O ATOM 810 CB LEU A 51 0.863 2.160 30.698 1.00 53.23 C ATOM 811 CG LEU A 51 0.881 2.512 29.210 1.00 72.44 C ATOM 812 CD1 LEU A 51 1.715 1.505 28.433 1.00 25.25 C ATOM 813 CD2 LEU A 51 -0.536 2.570 28.658 1.00 13.32 C ATOM 0 H LEU A 51 1.160 2.279 33.284 1.00 0.40 H new ATOM 0 HA LEU A 51 2.948 1.736 31.003 1.00 61.14 H new ATOM 0 HB2 LEU A 51 0.566 1.116 30.800 1.00 53.23 H new ATOM 0 HB3 LEU A 51 0.093 2.759 31.183 1.00 53.23 H new ATOM 0 HG LEU A 51 1.336 3.496 29.095 1.00 72.44 H new ATOM 0 HD11 LEU A 51 1.716 1.772 27.376 1.00 25.25 H new ATOM 0 HD12 LEU A 51 2.738 1.512 28.810 1.00 25.25 H new ATOM 0 HD13 LEU A 51 1.290 0.509 28.555 1.00 25.25 H new ATOM 0 HD21 LEU A 51 -0.504 2.822 27.598 1.00 13.32 H new ATOM 0 HD22 LEU A 51 -1.016 1.600 28.786 1.00 13.32 H new ATOM 0 HD23 LEU A 51 -1.105 3.330 29.194 1.00 13.32 H new ATOM 825 N GLU A 52 1.909 4.700 32.043 1.00 51.14 N ATOM 826 CA GLU A 52 2.229 6.123 32.027 1.00 70.43 C ATOM 827 C GLU A 52 3.481 6.408 32.851 1.00 62.32 C ATOM 828 O GLU A 52 4.438 7.005 32.360 1.00 63.54 O ATOM 829 CB GLU A 52 1.053 6.939 32.567 1.00 72.32 C ATOM 830 CG GLU A 52 1.324 8.433 32.626 1.00 65.54 C ATOM 831 CD GLU A 52 1.388 9.068 31.250 1.00 2.44 C ATOM 832 OE1 GLU A 52 1.303 8.326 30.250 1.00 65.13 O ATOM 833 OE2 GLU A 52 1.523 10.307 31.175 1.00 41.43 O ATOM 0 H GLU A 52 1.109 4.454 32.626 1.00 51.14 H new ATOM 0 HA GLU A 52 2.420 6.415 30.994 1.00 70.43 H new ATOM 0 HB2 GLU A 52 0.180 6.761 31.939 1.00 72.32 H new ATOM 0 HB3 GLU A 52 0.804 6.584 33.567 1.00 72.32 H new ATOM 0 HG2 GLU A 52 0.542 8.918 33.210 1.00 65.54 H new ATOM 0 HG3 GLU A 52 2.265 8.608 33.147 1.00 65.54 H new ATOM 840 N GLY A 53 3.466 5.977 34.109 1.00 72.54 N ATOM 841 CA GLY A 53 4.604 6.195 34.982 1.00 63.14 C ATOM 842 C GLY A 53 5.871 5.551 34.454 1.00 22.24 C ATOM 843 O GLY A 53 6.873 6.230 34.224 1.00 14.12 O ATOM 0 H GLY A 53 2.685 5.481 34.539 1.00 72.54 H new ATOM 0 HA2 GLY A 53 4.767 7.266 35.101 1.00 63.14 H new ATOM 0 HA3 GLY A 53 4.381 5.795 35.971 1.00 63.14 H new ATOM 847 N LEU A 54 5.830 4.237 34.264 1.00 73.21 N ATOM 848 CA LEU A 54 6.984 3.500 33.762 1.00 61.41 C ATOM 849 C LEU A 54 7.168 3.730 32.265 1.00 23.23 C ATOM 850 O LEU A 54 6.550 4.622 31.684 1.00 3.20 O ATOM 851 CB LEU A 54 6.821 2.005 34.043 1.00 23.14 C ATOM 852 CG LEU A 54 6.374 1.633 35.458 1.00 40.15 C ATOM 853 CD1 LEU A 54 6.395 0.124 35.644 1.00 32.05 C ATOM 854 CD2 LEU A 54 7.258 2.313 36.493 1.00 64.23 C ATOM 0 H LEU A 54 5.010 3.660 34.450 1.00 73.21 H new ATOM 0 HA LEU A 54 7.871 3.866 34.279 1.00 61.41 H new ATOM 0 HB2 LEU A 54 6.097 1.600 33.336 1.00 23.14 H new ATOM 0 HB3 LEU A 54 7.772 1.512 33.843 1.00 23.14 H new ATOM 0 HG LEU A 54 5.351 1.982 35.599 1.00 40.15 H new ATOM 0 HD11 LEU A 54 6.074 -0.122 36.656 1.00 32.05 H new ATOM 0 HD12 LEU A 54 5.719 -0.341 34.926 1.00 32.05 H new ATOM 0 HD13 LEU A 54 7.407 -0.248 35.483 1.00 32.05 H new ATOM 0 HD21 LEU A 54 6.925 2.037 37.494 1.00 64.23 H new ATOM 0 HD22 LEU A 54 8.291 1.996 36.354 1.00 64.23 H new ATOM 0 HD23 LEU A 54 7.192 3.394 36.374 1.00 64.23 H new ATOM 866 N ILE A 55 8.020 2.918 31.648 1.00 40.23 N ATOM 867 CA ILE A 55 8.282 3.032 30.218 1.00 25.44 C ATOM 868 C ILE A 55 7.977 1.723 29.498 1.00 63.31 C ATOM 869 O ILE A 55 7.940 0.649 30.099 1.00 75.33 O ATOM 870 CB ILE A 55 9.746 3.426 29.944 1.00 13.32 C ATOM 871 CG1 ILE A 55 10.698 2.500 30.703 1.00 34.43 C ATOM 872 CG2 ILE A 55 9.985 4.877 30.336 1.00 62.20 C ATOM 873 CD1 ILE A 55 12.144 2.937 30.641 1.00 63.11 C ATOM 0 H ILE A 55 8.540 2.175 32.115 1.00 40.23 H new ATOM 0 HA ILE A 55 7.626 3.815 29.838 1.00 25.44 H new ATOM 0 HB ILE A 55 9.942 3.320 28.877 1.00 13.32 H new ATOM 0 HG12 ILE A 55 10.387 2.449 31.746 1.00 34.43 H new ATOM 0 HG13 ILE A 55 10.614 1.493 30.295 1.00 34.43 H new ATOM 0 HG21 ILE A 55 11.024 5.141 30.137 1.00 62.20 H new ATOM 0 HG22 ILE A 55 9.328 5.524 29.755 1.00 62.20 H new ATOM 0 HG23 ILE A 55 9.775 5.006 31.398 1.00 62.20 H new ATOM 0 HD11 ILE A 55 12.761 2.234 31.201 1.00 63.11 H new ATOM 0 HD12 ILE A 55 12.473 2.961 29.602 1.00 63.11 H new ATOM 0 HD13 ILE A 55 12.242 3.932 31.076 1.00 63.11 H new ATOM 885 N PRO A 56 7.756 1.812 28.178 1.00 34.40 N ATOM 886 CA PRO A 56 7.452 0.643 27.346 1.00 43.51 C ATOM 887 C PRO A 56 8.655 -0.279 27.181 1.00 43.10 C ATOM 888 O PRO A 56 8.515 -1.502 27.164 1.00 51.23 O ATOM 889 CB PRO A 56 7.062 1.259 26.000 1.00 73.22 C ATOM 890 CG PRO A 56 7.752 2.579 25.972 1.00 63.51 C ATOM 891 CD PRO A 56 7.785 3.059 27.396 1.00 13.13 C ATOM 0 HA PRO A 56 6.674 0.019 27.787 1.00 43.51 H new ATOM 0 HB2 PRO A 56 7.380 0.629 25.169 1.00 73.22 H new ATOM 0 HB3 PRO A 56 5.981 1.375 25.916 1.00 73.22 H new ATOM 0 HG2 PRO A 56 8.760 2.484 25.569 1.00 63.51 H new ATOM 0 HG3 PRO A 56 7.219 3.285 25.335 1.00 63.51 H new ATOM 0 HD2 PRO A 56 8.683 3.642 27.603 1.00 13.13 H new ATOM 0 HD3 PRO A 56 6.931 3.697 27.625 1.00 13.13 H new ATOM 899 N VAL A 57 9.838 0.315 27.060 1.00 25.14 N ATOM 900 CA VAL A 57 11.067 -0.454 26.898 1.00 13.14 C ATOM 901 C VAL A 57 11.378 -1.263 28.152 1.00 32.24 C ATOM 902 O VAL A 57 12.147 -2.224 28.109 1.00 53.21 O ATOM 903 CB VAL A 57 12.264 0.462 26.581 1.00 21.53 C ATOM 904 CG1 VAL A 57 13.537 -0.357 26.428 1.00 33.51 C ATOM 905 CG2 VAL A 57 11.992 1.279 25.327 1.00 20.43 C ATOM 0 H VAL A 57 9.972 1.326 27.071 1.00 25.14 H new ATOM 0 HA VAL A 57 10.908 -1.134 26.061 1.00 13.14 H new ATOM 0 HB VAL A 57 12.402 1.152 27.414 1.00 21.53 H new ATOM 0 HG11 VAL A 57 14.372 0.307 26.204 1.00 33.51 H new ATOM 0 HG12 VAL A 57 13.738 -0.893 27.355 1.00 33.51 H new ATOM 0 HG13 VAL A 57 13.414 -1.072 25.615 1.00 33.51 H new ATOM 0 HG21 VAL A 57 12.848 1.921 25.118 1.00 20.43 H new ATOM 0 HG22 VAL A 57 11.827 0.608 24.484 1.00 20.43 H new ATOM 0 HG23 VAL A 57 11.106 1.895 25.479 1.00 20.43 H new ATOM 915 N ASP A 58 10.775 -0.869 29.269 1.00 62.03 N ATOM 916 CA ASP A 58 10.986 -1.559 30.536 1.00 4.21 C ATOM 917 C ASP A 58 9.927 -2.634 30.753 1.00 75.44 C ATOM 918 O ASP A 58 10.246 -3.815 30.898 1.00 74.23 O ATOM 919 CB ASP A 58 10.962 -0.561 31.695 1.00 52.43 C ATOM 920 CG ASP A 58 11.336 -1.200 33.018 1.00 41.35 C ATOM 921 OD1 ASP A 58 12.471 -1.709 33.130 1.00 14.20 O ATOM 922 OD2 ASP A 58 10.494 -1.192 33.940 1.00 1.41 O ATOM 0 H ASP A 58 10.136 -0.075 29.322 1.00 62.03 H new ATOM 0 HA ASP A 58 11.964 -2.040 30.500 1.00 4.21 H new ATOM 0 HB2 ASP A 58 11.652 0.256 31.482 1.00 52.43 H new ATOM 0 HB3 ASP A 58 9.966 -0.125 31.774 1.00 52.43 H new ATOM 927 N LEU A 59 8.665 -2.219 30.774 1.00 0.32 N ATOM 928 CA LEU A 59 7.557 -3.146 30.974 1.00 20.31 C ATOM 929 C LEU A 59 7.531 -4.207 29.879 1.00 73.25 C ATOM 930 O LEU A 59 7.189 -5.363 30.128 1.00 50.21 O ATOM 931 CB LEU A 59 6.229 -2.388 30.998 1.00 51.25 C ATOM 932 CG LEU A 59 5.232 -2.746 29.894 1.00 1.45 C ATOM 933 CD1 LEU A 59 3.817 -2.382 30.315 1.00 12.43 C ATOM 934 CD2 LEU A 59 5.601 -2.045 28.595 1.00 71.12 C ATOM 0 H LEU A 59 8.384 -1.246 30.655 1.00 0.32 H new ATOM 0 HA LEU A 59 7.701 -3.644 31.933 1.00 20.31 H new ATOM 0 HB2 LEU A 59 5.751 -2.563 31.962 1.00 51.25 H new ATOM 0 HB3 LEU A 59 6.441 -1.321 30.936 1.00 51.25 H new ATOM 0 HG LEU A 59 5.274 -3.822 29.727 1.00 1.45 H new ATOM 0 HD11 LEU A 59 3.121 -2.644 29.518 1.00 12.43 H new ATOM 0 HD12 LEU A 59 3.554 -2.930 31.220 1.00 12.43 H new ATOM 0 HD13 LEU A 59 3.759 -1.311 30.510 1.00 12.43 H new ATOM 0 HD21 LEU A 59 4.881 -2.311 27.821 1.00 71.12 H new ATOM 0 HD22 LEU A 59 5.588 -0.966 28.747 1.00 71.12 H new ATOM 0 HD23 LEU A 59 6.599 -2.355 28.285 1.00 71.12 H new ATOM 946 N ALA A 60 7.896 -3.807 28.665 1.00 13.51 N ATOM 947 CA ALA A 60 7.918 -4.724 27.532 1.00 1.43 C ATOM 948 C ALA A 60 8.960 -5.819 27.733 1.00 11.21 C ATOM 949 O ALA A 60 8.707 -6.988 27.446 1.00 70.24 O ATOM 950 CB ALA A 60 8.191 -3.963 26.243 1.00 74.10 C ATOM 0 H ALA A 60 8.181 -2.853 28.441 1.00 13.51 H new ATOM 0 HA ALA A 60 6.939 -5.199 27.461 1.00 1.43 H new ATOM 0 HB1 ALA A 60 8.205 -4.660 25.405 1.00 74.10 H new ATOM 0 HB2 ALA A 60 7.408 -3.221 26.085 1.00 74.10 H new ATOM 0 HB3 ALA A 60 9.156 -3.462 26.314 1.00 74.10 H new ATOM 956 N GLU A 61 10.132 -5.431 28.227 1.00 34.34 N ATOM 957 CA GLU A 61 11.212 -6.382 28.464 1.00 12.45 C ATOM 958 C GLU A 61 10.749 -7.516 29.375 1.00 51.43 C ATOM 959 O GLU A 61 11.124 -8.673 29.184 1.00 63.13 O ATOM 960 CB GLU A 61 12.417 -5.673 29.087 1.00 71.23 C ATOM 961 CG GLU A 61 13.481 -5.281 28.076 1.00 62.13 C ATOM 962 CD GLU A 61 14.591 -6.309 27.969 1.00 3.51 C ATOM 963 OE1 GLU A 61 15.053 -6.794 29.023 1.00 13.03 O ATOM 964 OE2 GLU A 61 14.999 -6.627 26.833 1.00 52.14 O ATOM 0 H GLU A 61 10.357 -4.466 28.470 1.00 34.34 H new ATOM 0 HA GLU A 61 11.505 -6.807 27.504 1.00 12.45 H new ATOM 0 HB2 GLU A 61 12.073 -4.778 29.606 1.00 71.23 H new ATOM 0 HB3 GLU A 61 12.864 -6.325 29.838 1.00 71.23 H new ATOM 0 HG2 GLU A 61 13.017 -5.150 27.098 1.00 62.13 H new ATOM 0 HG3 GLU A 61 13.908 -4.319 28.358 1.00 62.13 H new ATOM 971 N LEU A 62 9.932 -7.175 30.365 1.00 12.12 N ATOM 972 CA LEU A 62 9.417 -8.163 31.307 1.00 70.34 C ATOM 973 C LEU A 62 8.357 -9.041 30.649 1.00 21.20 C ATOM 974 O LEU A 62 8.335 -10.257 30.843 1.00 65.53 O ATOM 975 CB LEU A 62 8.829 -7.468 32.536 1.00 51.03 C ATOM 976 CG LEU A 62 8.036 -8.357 33.495 1.00 42.04 C ATOM 977 CD1 LEU A 62 8.372 -8.017 34.938 1.00 24.44 C ATOM 978 CD2 LEU A 62 6.542 -8.212 33.245 1.00 42.23 C ATOM 0 H LEU A 62 9.612 -6.222 30.537 1.00 12.12 H new ATOM 0 HA LEU A 62 10.246 -8.798 31.619 1.00 70.34 H new ATOM 0 HB2 LEU A 62 9.645 -7.005 33.092 1.00 51.03 H new ATOM 0 HB3 LEU A 62 8.178 -6.663 32.196 1.00 51.03 H new ATOM 0 HG LEU A 62 8.315 -9.395 33.313 1.00 42.04 H new ATOM 0 HD11 LEU A 62 7.798 -8.659 35.606 1.00 24.44 H new ATOM 0 HD12 LEU A 62 9.437 -8.173 35.110 1.00 24.44 H new ATOM 0 HD13 LEU A 62 8.122 -6.974 35.134 1.00 24.44 H new ATOM 0 HD21 LEU A 62 5.994 -8.852 33.936 1.00 42.23 H new ATOM 0 HD22 LEU A 62 6.246 -7.174 33.399 1.00 42.23 H new ATOM 0 HD23 LEU A 62 6.314 -8.506 32.220 1.00 42.23 H new ATOM 990 N LEU A 63 7.481 -8.418 29.869 1.00 14.24 N ATOM 991 CA LEU A 63 6.418 -9.142 29.180 1.00 25.53 C ATOM 992 C LEU A 63 6.999 -10.171 28.215 1.00 33.54 C ATOM 993 O LEU A 63 6.625 -11.344 28.245 1.00 72.41 O ATOM 994 CB LEU A 63 5.517 -8.167 28.422 1.00 43.52 C ATOM 995 CG LEU A 63 4.175 -8.724 27.946 1.00 43.23 C ATOM 996 CD1 LEU A 63 4.347 -9.488 26.642 1.00 31.44 C ATOM 997 CD2 LEU A 63 3.560 -9.617 29.013 1.00 13.21 C ATOM 0 H LEU A 63 7.486 -7.413 29.698 1.00 14.24 H new ATOM 0 HA LEU A 63 5.825 -9.666 29.929 1.00 25.53 H new ATOM 0 HB2 LEU A 63 5.324 -7.308 29.064 1.00 43.52 H new ATOM 0 HB3 LEU A 63 6.063 -7.799 27.554 1.00 43.52 H new ATOM 0 HG LEU A 63 3.499 -7.888 27.767 1.00 43.23 H new ATOM 0 HD11 LEU A 63 3.382 -9.877 26.318 1.00 31.44 H new ATOM 0 HD12 LEU A 63 4.743 -8.819 25.878 1.00 31.44 H new ATOM 0 HD13 LEU A 63 5.040 -10.316 26.794 1.00 31.44 H new ATOM 0 HD21 LEU A 63 2.605 -10.005 28.657 1.00 13.21 H new ATOM 0 HD22 LEU A 63 4.233 -10.448 29.224 1.00 13.21 H new ATOM 0 HD23 LEU A 63 3.400 -9.039 29.923 1.00 13.21 H new ATOM 1009 N ILE A 64 7.915 -9.725 27.363 1.00 10.11 N ATOM 1010 CA ILE A 64 8.549 -10.608 26.392 1.00 1.20 C ATOM 1011 C ILE A 64 9.234 -11.782 27.082 1.00 25.23 C ATOM 1012 O ILE A 64 9.335 -12.873 26.521 1.00 74.12 O ATOM 1013 CB ILE A 64 9.585 -9.854 25.537 1.00 12.45 C ATOM 1014 CG1 ILE A 64 10.708 -9.308 26.422 1.00 53.21 C ATOM 1015 CG2 ILE A 64 8.915 -8.726 24.766 1.00 30.04 C ATOM 1016 CD1 ILE A 64 11.873 -8.744 25.640 1.00 40.24 C ATOM 0 H ILE A 64 8.235 -8.757 27.325 1.00 10.11 H new ATOM 0 HA ILE A 64 7.758 -10.982 25.743 1.00 1.20 H new ATOM 0 HB ILE A 64 10.019 -10.551 24.820 1.00 12.45 H new ATOM 0 HG12 ILE A 64 10.304 -8.529 27.069 1.00 53.21 H new ATOM 0 HG13 ILE A 64 11.069 -10.106 27.071 1.00 53.21 H new ATOM 0 HG21 ILE A 64 9.660 -8.202 24.167 1.00 30.04 H new ATOM 0 HG22 ILE A 64 8.147 -9.139 24.112 1.00 30.04 H new ATOM 0 HG23 ILE A 64 8.457 -8.028 25.467 1.00 30.04 H new ATOM 0 HD11 ILE A 64 12.631 -8.375 26.331 1.00 40.24 H new ATOM 0 HD12 ILE A 64 12.303 -9.525 25.013 1.00 40.24 H new ATOM 0 HD13 ILE A 64 11.526 -7.924 25.011 1.00 40.24 H new ATOM 1028 N SER A 65 9.704 -11.551 28.304 1.00 34.53 N ATOM 1029 CA SER A 65 10.382 -12.590 29.071 1.00 13.25 C ATOM 1030 C SER A 65 9.375 -13.567 29.671 1.00 1.12 C ATOM 1031 O SER A 65 9.706 -14.716 29.964 1.00 31.05 O ATOM 1032 CB SER A 65 11.226 -11.963 30.183 1.00 72.20 C ATOM 1033 OG SER A 65 12.422 -12.694 30.389 1.00 61.44 O ATOM 0 H SER A 65 9.628 -10.654 28.784 1.00 34.53 H new ATOM 0 HA SER A 65 11.036 -13.139 28.394 1.00 13.25 H new ATOM 0 HB2 SER A 65 11.466 -10.932 29.924 1.00 72.20 H new ATOM 0 HB3 SER A 65 10.650 -11.933 31.108 1.00 72.20 H new ATOM 0 HG SER A 65 12.944 -12.272 31.103 1.00 61.44 H new ATOM 1039 N LYS A 66 8.144 -13.102 29.851 1.00 14.42 N ATOM 1040 CA LYS A 66 7.086 -13.932 30.415 1.00 60.34 C ATOM 1041 C LYS A 66 7.011 -15.277 29.699 1.00 60.30 C ATOM 1042 O LYS A 66 7.252 -16.325 30.299 1.00 4.00 O ATOM 1043 CB LYS A 66 5.738 -13.214 30.316 1.00 21.41 C ATOM 1044 CG LYS A 66 4.549 -14.108 30.623 1.00 70.35 C ATOM 1045 CD LYS A 66 4.768 -14.912 31.893 1.00 3.03 C ATOM 1046 CE LYS A 66 4.906 -14.007 33.108 1.00 35.32 C ATOM 1047 NZ LYS A 66 6.084 -14.373 33.942 1.00 44.35 N ATOM 0 H LYS A 66 7.854 -12.153 29.614 1.00 14.42 H new ATOM 0 HA LYS A 66 7.319 -14.111 31.465 1.00 60.34 H new ATOM 0 HB2 LYS A 66 5.734 -12.369 31.005 1.00 21.41 H new ATOM 0 HB3 LYS A 66 5.626 -12.806 29.311 1.00 21.41 H new ATOM 0 HG2 LYS A 66 3.652 -13.498 30.728 1.00 70.35 H new ATOM 0 HG3 LYS A 66 4.377 -14.786 29.787 1.00 70.35 H new ATOM 0 HD2 LYS A 66 3.932 -15.596 32.041 1.00 3.03 H new ATOM 0 HD3 LYS A 66 5.665 -15.522 31.789 1.00 3.03 H new ATOM 0 HE2 LYS A 66 5.001 -12.972 32.781 1.00 35.32 H new ATOM 0 HE3 LYS A 66 4.000 -14.069 33.712 1.00 35.32 H new ATOM 0 HZ1 LYS A 66 5.912 -14.091 34.928 1.00 44.35 H new ATOM 0 HZ2 LYS A 66 6.235 -15.401 33.897 1.00 44.35 H new ATOM 0 HZ3 LYS A 66 6.929 -13.883 33.584 1.00 44.35 H new ATOM 1061 N TYR A 67 6.677 -15.240 28.414 1.00 73.51 N ATOM 1062 CA TYR A 67 6.569 -16.457 27.617 1.00 43.30 C ATOM 1063 C TYR A 67 7.425 -16.360 26.357 1.00 33.15 C ATOM 1064 O TYR A 67 8.060 -17.331 25.949 1.00 41.13 O ATOM 1065 CB TYR A 67 5.110 -16.716 27.237 1.00 3.44 C ATOM 1066 CG TYR A 67 4.525 -17.948 27.889 1.00 14.21 C ATOM 1067 CD1 TYR A 67 4.637 -18.154 29.259 1.00 54.45 C ATOM 1068 CD2 TYR A 67 3.858 -18.906 27.135 1.00 10.01 C ATOM 1069 CE1 TYR A 67 4.104 -19.278 29.858 1.00 73.42 C ATOM 1070 CE2 TYR A 67 3.321 -20.033 27.726 1.00 35.12 C ATOM 1071 CZ TYR A 67 3.446 -20.215 29.088 1.00 44.04 C ATOM 1072 OH TYR A 67 2.913 -21.336 29.681 1.00 31.00 O ATOM 0 H TYR A 67 6.476 -14.381 27.902 1.00 73.51 H new ATOM 0 HA TYR A 67 6.933 -17.289 28.220 1.00 43.30 H new ATOM 0 HB2 TYR A 67 4.511 -15.849 27.515 1.00 3.44 H new ATOM 0 HB3 TYR A 67 5.038 -16.819 26.154 1.00 3.44 H new ATOM 0 HD1 TYR A 67 5.150 -17.422 29.865 1.00 54.45 H new ATOM 0 HD2 TYR A 67 3.758 -18.767 26.069 1.00 10.01 H new ATOM 0 HE1 TYR A 67 4.202 -19.423 30.924 1.00 73.42 H new ATOM 0 HE2 TYR A 67 2.806 -20.768 27.125 1.00 35.12 H new ATOM 0 HH TYR A 67 2.483 -21.893 28.999 1.00 31.00 H new ATOM 1082 N GLY A 68 7.436 -15.179 25.746 1.00 34.14 N ATOM 1083 CA GLY A 68 8.216 -14.975 24.540 1.00 21.30 C ATOM 1084 C GLY A 68 7.999 -13.603 23.934 1.00 71.01 C ATOM 1085 O GLY A 68 6.895 -13.062 23.988 1.00 2.21 O ATOM 0 H GLY A 68 6.918 -14.360 26.065 1.00 34.14 H new ATOM 0 HA2 GLY A 68 9.274 -15.104 24.769 1.00 21.30 H new ATOM 0 HA3 GLY A 68 7.953 -15.738 23.807 1.00 21.30 H new ATOM 1089 N GLU A 69 9.055 -13.039 23.357 1.00 41.24 N ATOM 1090 CA GLU A 69 8.974 -11.720 22.740 1.00 2.34 C ATOM 1091 C GLU A 69 8.031 -11.737 21.541 1.00 43.44 C ATOM 1092 O GLU A 69 7.448 -10.714 21.180 1.00 34.13 O ATOM 1093 CB GLU A 69 10.364 -11.250 22.304 1.00 14.24 C ATOM 1094 CG GLU A 69 10.956 -12.071 21.172 1.00 62.13 C ATOM 1095 CD GLU A 69 12.456 -12.251 21.304 1.00 30.35 C ATOM 1096 OE1 GLU A 69 12.946 -12.314 22.452 1.00 41.44 O ATOM 1097 OE2 GLU A 69 13.139 -12.330 20.262 1.00 3.34 O ATOM 0 H GLU A 69 9.976 -13.474 23.304 1.00 41.24 H new ATOM 0 HA GLU A 69 8.579 -11.024 23.480 1.00 2.34 H new ATOM 0 HB2 GLU A 69 10.305 -10.207 21.993 1.00 14.24 H new ATOM 0 HB3 GLU A 69 11.037 -11.289 23.161 1.00 14.24 H new ATOM 0 HG2 GLU A 69 10.477 -13.050 21.149 1.00 62.13 H new ATOM 0 HG3 GLU A 69 10.734 -11.585 20.222 1.00 62.13 H new ATOM 1104 N LYS A 70 7.888 -12.905 20.925 1.00 73.30 N ATOM 1105 CA LYS A 70 7.016 -13.058 19.766 1.00 21.11 C ATOM 1106 C LYS A 70 5.562 -12.785 20.139 1.00 64.21 C ATOM 1107 O LYS A 70 5.029 -11.715 19.850 1.00 42.41 O ATOM 1108 CB LYS A 70 7.149 -14.468 19.185 1.00 54.41 C ATOM 1109 CG LYS A 70 8.585 -14.885 18.923 1.00 44.22 C ATOM 1110 CD LYS A 70 9.158 -14.177 17.706 1.00 23.51 C ATOM 1111 CE LYS A 70 9.710 -12.807 18.067 1.00 44.12 C ATOM 1112 NZ LYS A 70 11.183 -12.730 17.858 1.00 11.33 N ATOM 0 H LYS A 70 8.365 -13.761 21.209 1.00 73.30 H new ATOM 0 HA LYS A 70 7.322 -12.331 19.014 1.00 21.11 H new ATOM 0 HB2 LYS A 70 6.693 -15.180 19.873 1.00 54.41 H new ATOM 0 HB3 LYS A 70 6.588 -14.522 18.252 1.00 54.41 H new ATOM 0 HG2 LYS A 70 9.196 -14.660 19.797 1.00 44.22 H new ATOM 0 HG3 LYS A 70 8.630 -15.964 18.772 1.00 44.22 H new ATOM 0 HD2 LYS A 70 9.949 -14.786 17.269 1.00 23.51 H new ATOM 0 HD3 LYS A 70 8.383 -14.070 16.948 1.00 23.51 H new ATOM 0 HE2 LYS A 70 9.217 -12.046 17.462 1.00 44.12 H new ATOM 0 HE3 LYS A 70 9.479 -12.585 19.109 1.00 44.12 H new ATOM 0 HZ1 LYS A 70 11.438 -11.776 17.532 1.00 11.33 H new ATOM 0 HZ2 LYS A 70 11.672 -12.932 18.754 1.00 11.33 H new ATOM 0 HZ3 LYS A 70 11.469 -13.429 17.143 1.00 11.33 H new ATOM 1126 N GLU A 71 4.928 -13.760 20.783 1.00 42.00 N ATOM 1127 CA GLU A 71 3.536 -13.623 21.195 1.00 2.23 C ATOM 1128 C GLU A 71 3.324 -12.325 21.970 1.00 74.14 C ATOM 1129 O GLU A 71 2.232 -11.756 21.960 1.00 24.24 O ATOM 1130 CB GLU A 71 3.116 -14.817 22.054 1.00 14.04 C ATOM 1131 CG GLU A 71 3.813 -14.872 23.403 1.00 14.24 C ATOM 1132 CD GLU A 71 3.314 -16.010 24.272 1.00 72.30 C ATOM 1133 OE1 GLU A 71 3.809 -17.145 24.104 1.00 53.31 O ATOM 1134 OE2 GLU A 71 2.429 -15.768 25.119 1.00 41.50 O ATOM 0 H GLU A 71 5.356 -14.652 21.030 1.00 42.00 H new ATOM 0 HA GLU A 71 2.918 -13.595 20.297 1.00 2.23 H new ATOM 0 HB2 GLU A 71 2.038 -14.778 22.213 1.00 14.04 H new ATOM 0 HB3 GLU A 71 3.325 -15.737 21.509 1.00 14.04 H new ATOM 0 HG2 GLU A 71 4.886 -14.981 23.249 1.00 14.24 H new ATOM 0 HG3 GLU A 71 3.661 -13.927 23.925 1.00 14.24 H new ATOM 1141 N ALA A 72 4.375 -11.864 22.639 1.00 14.43 N ATOM 1142 CA ALA A 72 4.304 -10.633 23.418 1.00 63.24 C ATOM 1143 C ALA A 72 3.685 -9.503 22.603 1.00 42.33 C ATOM 1144 O ALA A 72 2.617 -8.993 22.941 1.00 52.01 O ATOM 1145 CB ALA A 72 5.690 -10.237 23.905 1.00 21.23 C ATOM 0 H ALA A 72 5.285 -12.324 22.658 1.00 14.43 H new ATOM 0 HA ALA A 72 3.665 -10.815 24.282 1.00 63.24 H new ATOM 0 HB1 ALA A 72 5.623 -9.317 24.485 1.00 21.23 H new ATOM 0 HB2 ALA A 72 6.096 -11.031 24.531 1.00 21.23 H new ATOM 0 HB3 ALA A 72 6.345 -10.079 23.048 1.00 21.23 H new ATOM 1151 N VAL A 73 4.363 -9.114 21.527 1.00 24.34 N ATOM 1152 CA VAL A 73 3.879 -8.044 20.664 1.00 45.12 C ATOM 1153 C VAL A 73 2.483 -8.352 20.137 1.00 75.12 C ATOM 1154 O VAL A 73 1.663 -7.452 19.954 1.00 12.33 O ATOM 1155 CB VAL A 73 4.827 -7.813 19.471 1.00 33.33 C ATOM 1156 CG1 VAL A 73 4.158 -6.942 18.419 1.00 5.41 C ATOM 1157 CG2 VAL A 73 6.132 -7.190 19.941 1.00 3.23 C ATOM 0 H VAL A 73 5.249 -9.525 21.233 1.00 24.34 H new ATOM 0 HA VAL A 73 3.843 -7.139 21.271 1.00 45.12 H new ATOM 0 HB VAL A 73 5.055 -8.778 19.017 1.00 33.33 H new ATOM 0 HG11 VAL A 73 4.842 -6.790 17.584 1.00 5.41 H new ATOM 0 HG12 VAL A 73 3.253 -7.433 18.062 1.00 5.41 H new ATOM 0 HG13 VAL A 73 3.899 -5.978 18.856 1.00 5.41 H new ATOM 0 HG21 VAL A 73 6.789 -7.034 19.086 1.00 3.23 H new ATOM 0 HG22 VAL A 73 5.926 -6.233 20.420 1.00 3.23 H new ATOM 0 HG23 VAL A 73 6.617 -7.856 20.655 1.00 3.23 H new ATOM 1167 N LYS A 74 2.217 -9.631 19.894 1.00 34.00 N ATOM 1168 CA LYS A 74 0.918 -10.061 19.389 1.00 12.44 C ATOM 1169 C LYS A 74 -0.178 -9.803 20.419 1.00 70.22 C ATOM 1170 O LYS A 74 -1.260 -9.323 20.081 1.00 32.04 O ATOM 1171 CB LYS A 74 0.954 -11.547 19.028 1.00 22.35 C ATOM 1172 CG LYS A 74 1.968 -11.887 17.950 1.00 41.44 C ATOM 1173 CD LYS A 74 2.093 -13.388 17.754 1.00 32.30 C ATOM 1174 CE LYS A 74 3.542 -13.807 17.560 1.00 42.42 C ATOM 1175 NZ LYS A 74 3.656 -15.058 16.761 1.00 70.13 N ATOM 0 H LYS A 74 2.884 -10.389 20.039 1.00 34.00 H new ATOM 0 HA LYS A 74 0.694 -9.482 18.493 1.00 12.44 H new ATOM 0 HB2 LYS A 74 1.182 -12.124 19.924 1.00 22.35 H new ATOM 0 HB3 LYS A 74 -0.037 -11.855 18.693 1.00 22.35 H new ATOM 0 HG2 LYS A 74 1.672 -11.420 17.011 1.00 41.44 H new ATOM 0 HG3 LYS A 74 2.939 -11.472 18.220 1.00 41.44 H new ATOM 0 HD2 LYS A 74 1.677 -13.905 18.619 1.00 32.30 H new ATOM 0 HD3 LYS A 74 1.506 -13.693 16.888 1.00 32.30 H new ATOM 0 HE2 LYS A 74 4.088 -13.006 17.061 1.00 42.42 H new ATOM 0 HE3 LYS A 74 4.011 -13.954 18.533 1.00 42.42 H new ATOM 0 HZ1 LYS A 74 4.659 -15.310 16.651 1.00 70.13 H new ATOM 0 HZ2 LYS A 74 3.157 -15.829 17.250 1.00 70.13 H new ATOM 0 HZ3 LYS A 74 3.232 -14.911 15.823 1.00 70.13 H new ATOM 1189 N VAL A 75 0.110 -10.124 21.676 1.00 30.51 N ATOM 1190 CA VAL A 75 -0.850 -9.926 22.755 1.00 11.52 C ATOM 1191 C VAL A 75 -1.297 -8.470 22.832 1.00 41.12 C ATOM 1192 O VAL A 75 -2.378 -8.167 23.338 1.00 44.35 O ATOM 1193 CB VAL A 75 -0.260 -10.342 24.115 1.00 20.25 C ATOM 1194 CG1 VAL A 75 -0.997 -9.650 25.252 1.00 44.31 C ATOM 1195 CG2 VAL A 75 -0.312 -11.854 24.278 1.00 54.20 C ATOM 0 H VAL A 75 1.001 -10.523 21.972 1.00 30.51 H new ATOM 0 HA VAL A 75 -1.711 -10.557 22.532 1.00 11.52 H new ATOM 0 HB VAL A 75 0.784 -10.031 24.148 1.00 20.25 H new ATOM 0 HG11 VAL A 75 -0.566 -9.957 26.205 1.00 44.31 H new ATOM 0 HG12 VAL A 75 -0.903 -8.570 25.142 1.00 44.31 H new ATOM 0 HG13 VAL A 75 -2.051 -9.927 25.225 1.00 44.31 H new ATOM 0 HG21 VAL A 75 0.109 -12.130 25.245 1.00 54.20 H new ATOM 0 HG22 VAL A 75 -1.347 -12.190 24.224 1.00 54.20 H new ATOM 0 HG23 VAL A 75 0.265 -12.326 23.483 1.00 54.20 H new ATOM 1205 N VAL A 76 -0.458 -7.572 22.326 1.00 41.44 N ATOM 1206 CA VAL A 76 -0.767 -6.147 22.335 1.00 43.31 C ATOM 1207 C VAL A 76 -1.721 -5.784 21.202 1.00 4.23 C ATOM 1208 O VAL A 76 -2.770 -5.181 21.429 1.00 14.32 O ATOM 1209 CB VAL A 76 0.510 -5.295 22.209 1.00 43.14 C ATOM 1210 CG1 VAL A 76 0.241 -4.048 21.380 1.00 11.13 C ATOM 1211 CG2 VAL A 76 1.042 -4.926 23.585 1.00 3.12 C ATOM 0 H VAL A 76 0.441 -7.806 21.905 1.00 41.44 H new ATOM 0 HA VAL A 76 -1.245 -5.933 23.291 1.00 43.31 H new ATOM 0 HB VAL A 76 1.270 -5.885 21.697 1.00 43.14 H new ATOM 0 HG11 VAL A 76 1.155 -3.459 21.302 1.00 11.13 H new ATOM 0 HG12 VAL A 76 -0.090 -4.338 20.383 1.00 11.13 H new ATOM 0 HG13 VAL A 76 -0.535 -3.452 21.860 1.00 11.13 H new ATOM 0 HG21 VAL A 76 1.944 -4.324 23.477 1.00 3.12 H new ATOM 0 HG22 VAL A 76 0.287 -4.355 24.126 1.00 3.12 H new ATOM 0 HG23 VAL A 76 1.276 -5.834 24.140 1.00 3.12 H new ATOM 1221 N LEU A 77 -1.350 -6.155 19.982 1.00 24.11 N ATOM 1222 CA LEU A 77 -2.173 -5.869 18.812 1.00 63.40 C ATOM 1223 C LEU A 77 -3.470 -6.671 18.850 1.00 63.13 C ATOM 1224 O LEU A 77 -4.559 -6.118 18.700 1.00 53.34 O ATOM 1225 CB LEU A 77 -1.400 -6.188 17.531 1.00 52.54 C ATOM 1226 CG LEU A 77 -0.637 -7.513 17.518 1.00 11.53 C ATOM 1227 CD1 LEU A 77 -1.298 -8.500 16.569 1.00 21.35 C ATOM 1228 CD2 LEU A 77 0.817 -7.287 17.129 1.00 34.20 C ATOM 0 H LEU A 77 -0.485 -6.655 19.777 1.00 24.11 H new ATOM 0 HA LEU A 77 -2.423 -4.808 18.824 1.00 63.40 H new ATOM 0 HB2 LEU A 77 -2.102 -6.188 16.698 1.00 52.54 H new ATOM 0 HB3 LEU A 77 -0.690 -5.381 17.349 1.00 52.54 H new ATOM 0 HG LEU A 77 -0.662 -7.935 18.523 1.00 11.53 H new ATOM 0 HD11 LEU A 77 -0.741 -9.437 16.573 1.00 21.35 H new ATOM 0 HD12 LEU A 77 -2.322 -8.685 16.892 1.00 21.35 H new ATOM 0 HD13 LEU A 77 -1.305 -8.086 15.561 1.00 21.35 H new ATOM 0 HD21 LEU A 77 1.345 -8.241 17.125 1.00 34.20 H new ATOM 0 HD22 LEU A 77 0.863 -6.843 16.135 1.00 34.20 H new ATOM 0 HD23 LEU A 77 1.286 -6.616 17.848 1.00 34.20 H new ATOM 1240 N LYS A 78 -3.346 -7.978 19.053 1.00 25.23 N ATOM 1241 CA LYS A 78 -4.507 -8.857 19.115 1.00 72.31 C ATOM 1242 C LYS A 78 -5.578 -8.280 20.035 1.00 31.10 C ATOM 1243 O LYS A 78 -6.763 -8.287 19.705 1.00 32.01 O ATOM 1244 CB LYS A 78 -4.095 -10.248 19.604 1.00 50.42 C ATOM 1245 CG LYS A 78 -4.829 -11.380 18.907 1.00 54.12 C ATOM 1246 CD LYS A 78 -6.336 -11.196 18.980 1.00 41.44 C ATOM 1247 CE LYS A 78 -6.834 -11.236 20.416 1.00 24.13 C ATOM 1248 NZ LYS A 78 -6.572 -12.555 21.057 1.00 51.21 N ATOM 0 H LYS A 78 -2.452 -8.452 19.178 1.00 25.23 H new ATOM 0 HA LYS A 78 -4.922 -8.940 18.110 1.00 72.31 H new ATOM 0 HB2 LYS A 78 -3.023 -10.374 19.453 1.00 50.42 H new ATOM 0 HB3 LYS A 78 -4.276 -10.315 20.677 1.00 50.42 H new ATOM 0 HG2 LYS A 78 -4.518 -11.429 17.864 1.00 54.12 H new ATOM 0 HG3 LYS A 78 -4.555 -12.330 19.366 1.00 54.12 H new ATOM 0 HD2 LYS A 78 -6.610 -10.244 18.525 1.00 41.44 H new ATOM 0 HD3 LYS A 78 -6.827 -11.978 18.402 1.00 41.44 H new ATOM 0 HE2 LYS A 78 -6.346 -10.449 20.992 1.00 24.13 H new ATOM 0 HE3 LYS A 78 -7.904 -11.029 20.435 1.00 24.13 H new ATOM 0 HZ1 LYS A 78 -7.255 -12.709 21.826 1.00 51.21 H new ATOM 0 HZ2 LYS A 78 -6.671 -13.311 20.349 1.00 51.21 H new ATOM 0 HZ3 LYS A 78 -5.607 -12.567 21.444 1.00 51.21 H new ATOM 1262 N GLY A 79 -5.152 -7.779 21.191 1.00 60.32 N ATOM 1263 CA GLY A 79 -6.087 -7.204 22.140 1.00 52.13 C ATOM 1264 C GLY A 79 -6.471 -5.781 21.785 1.00 2.15 C ATOM 1265 O GLY A 79 -7.497 -5.275 22.241 1.00 75.03 O ATOM 0 H GLY A 79 -4.176 -7.761 21.487 1.00 60.32 H new ATOM 0 HA2 GLY A 79 -6.985 -7.820 22.180 1.00 52.13 H new ATOM 0 HA3 GLY A 79 -5.645 -7.220 23.136 1.00 52.13 H new ATOM 1269 N LEU A 80 -5.644 -5.132 20.973 1.00 74.15 N ATOM 1270 CA LEU A 80 -5.901 -3.757 20.558 1.00 35.24 C ATOM 1271 C LEU A 80 -7.024 -3.700 19.527 1.00 44.12 C ATOM 1272 O LEU A 80 -7.752 -2.711 19.440 1.00 33.30 O ATOM 1273 CB LEU A 80 -4.630 -3.131 19.981 1.00 34.44 C ATOM 1274 CG LEU A 80 -4.039 -1.963 20.771 1.00 14.00 C ATOM 1275 CD1 LEU A 80 -2.831 -2.418 21.574 1.00 63.32 C ATOM 1276 CD2 LEU A 80 -3.662 -0.824 19.836 1.00 53.45 C ATOM 0 H LEU A 80 -4.790 -5.536 20.589 1.00 74.15 H new ATOM 0 HA LEU A 80 -6.211 -3.190 21.436 1.00 35.24 H new ATOM 0 HB2 LEU A 80 -3.871 -3.909 19.899 1.00 34.44 H new ATOM 0 HB3 LEU A 80 -4.845 -2.787 18.969 1.00 34.44 H new ATOM 0 HG LEU A 80 -4.796 -1.600 21.467 1.00 14.00 H new ATOM 0 HD11 LEU A 80 -2.424 -1.573 22.130 1.00 63.32 H new ATOM 0 HD12 LEU A 80 -3.131 -3.200 22.271 1.00 63.32 H new ATOM 0 HD13 LEU A 80 -2.070 -2.808 20.898 1.00 63.32 H new ATOM 0 HD21 LEU A 80 -3.243 -0.001 20.415 1.00 53.45 H new ATOM 0 HD22 LEU A 80 -2.923 -1.174 19.116 1.00 53.45 H new ATOM 0 HD23 LEU A 80 -4.550 -0.479 19.306 1.00 53.45 H new ATOM 1288 N LYS A 81 -7.159 -4.767 18.747 1.00 24.43 N ATOM 1289 CA LYS A 81 -8.194 -4.842 17.723 1.00 0.33 C ATOM 1290 C LYS A 81 -9.568 -4.548 18.317 1.00 51.54 C ATOM 1291 O LYS A 81 -10.254 -3.618 17.890 1.00 64.20 O ATOM 1292 CB LYS A 81 -8.195 -6.225 17.069 1.00 23.10 C ATOM 1293 CG LYS A 81 -7.422 -6.280 15.763 1.00 60.54 C ATOM 1294 CD LYS A 81 -6.398 -7.403 15.767 1.00 33.44 C ATOM 1295 CE LYS A 81 -5.527 -7.368 14.521 1.00 22.53 C ATOM 1296 NZ LYS A 81 -6.242 -7.903 13.329 1.00 25.34 N ATOM 0 H LYS A 81 -6.563 -5.593 18.805 1.00 24.43 H new ATOM 0 HA LYS A 81 -7.976 -4.089 16.965 1.00 0.33 H new ATOM 0 HB2 LYS A 81 -7.768 -6.947 17.765 1.00 23.10 H new ATOM 0 HB3 LYS A 81 -9.225 -6.530 16.885 1.00 23.10 H new ATOM 0 HG2 LYS A 81 -8.116 -6.422 14.934 1.00 60.54 H new ATOM 0 HG3 LYS A 81 -6.918 -5.328 15.597 1.00 60.54 H new ATOM 0 HD2 LYS A 81 -5.770 -7.321 16.654 1.00 33.44 H new ATOM 0 HD3 LYS A 81 -6.910 -8.363 15.827 1.00 33.44 H new ATOM 0 HE2 LYS A 81 -5.213 -6.343 14.326 1.00 22.53 H new ATOM 0 HE3 LYS A 81 -4.622 -7.951 14.694 1.00 22.53 H new ATOM 0 HZ1 LYS A 81 -5.615 -7.862 12.501 1.00 25.34 H new ATOM 0 HZ2 LYS A 81 -6.520 -8.890 13.505 1.00 25.34 H new ATOM 0 HZ3 LYS A 81 -7.092 -7.331 13.148 1.00 25.34 H new ATOM 1310 N VAL A 82 -9.964 -5.344 19.304 1.00 33.50 N ATOM 1311 CA VAL A 82 -11.255 -5.168 19.958 1.00 55.32 C ATOM 1312 C VAL A 82 -11.379 -3.774 20.563 1.00 41.34 C ATOM 1313 O VAL A 82 -12.435 -3.398 21.071 1.00 23.23 O ATOM 1314 CB VAL A 82 -11.472 -6.217 21.065 1.00 55.44 C ATOM 1315 CG1 VAL A 82 -12.943 -6.294 21.446 1.00 21.12 C ATOM 1316 CG2 VAL A 82 -10.957 -7.576 20.618 1.00 62.31 C ATOM 0 H VAL A 82 -9.409 -6.118 19.669 1.00 33.50 H new ATOM 0 HA VAL A 82 -12.018 -5.298 19.191 1.00 55.32 H new ATOM 0 HB VAL A 82 -10.908 -5.912 21.947 1.00 55.44 H new ATOM 0 HG11 VAL A 82 -13.077 -7.040 22.229 1.00 21.12 H new ATOM 0 HG12 VAL A 82 -13.276 -5.322 21.810 1.00 21.12 H new ATOM 0 HG13 VAL A 82 -13.531 -6.575 20.572 1.00 21.12 H new ATOM 0 HG21 VAL A 82 -11.118 -8.305 21.412 1.00 62.31 H new ATOM 0 HG22 VAL A 82 -11.492 -7.891 19.722 1.00 62.31 H new ATOM 0 HG23 VAL A 82 -9.891 -7.507 20.399 1.00 62.31 H new ATOM 1326 N MET A 83 -10.293 -3.011 20.503 1.00 4.51 N ATOM 1327 CA MET A 83 -10.280 -1.656 21.044 1.00 61.22 C ATOM 1328 C MET A 83 -10.439 -0.625 19.931 1.00 20.10 C ATOM 1329 O MET A 83 -10.662 0.556 20.194 1.00 73.30 O ATOM 1330 CB MET A 83 -8.980 -1.402 21.809 1.00 42.31 C ATOM 1331 CG MET A 83 -8.884 -2.171 23.117 1.00 43.25 C ATOM 1332 SD MET A 83 -8.101 -1.214 24.429 1.00 21.01 S ATOM 1333 CE MET A 83 -9.517 -0.360 25.117 1.00 74.33 C ATOM 0 H MET A 83 -9.411 -3.307 20.086 1.00 4.51 H new ATOM 0 HA MET A 83 -11.122 -1.557 21.730 1.00 61.22 H new ATOM 0 HB2 MET A 83 -8.136 -1.673 21.175 1.00 42.31 H new ATOM 0 HB3 MET A 83 -8.893 -0.336 22.017 1.00 42.31 H new ATOM 0 HG2 MET A 83 -9.884 -2.466 23.435 1.00 43.25 H new ATOM 0 HG3 MET A 83 -8.318 -3.088 22.954 1.00 43.25 H new ATOM 0 HE1 MET A 83 -9.433 -0.333 26.203 1.00 74.33 H new ATOM 0 HE2 MET A 83 -9.551 0.658 24.730 1.00 74.33 H new ATOM 0 HE3 MET A 83 -10.430 -0.885 24.837 1.00 74.33 H new ATOM 1343 N ASN A 84 -10.322 -1.080 18.688 1.00 41.13 N ATOM 1344 CA ASN A 84 -10.452 -0.196 17.535 1.00 1.21 C ATOM 1345 C ASN A 84 -9.308 0.813 17.492 1.00 54.23 C ATOM 1346 O ASN A 84 -9.479 1.942 17.030 1.00 52.30 O ATOM 1347 CB ASN A 84 -11.794 0.538 17.578 1.00 5.51 C ATOM 1348 CG ASN A 84 -12.289 0.919 16.196 1.00 2.22 C ATOM 1349 OD1 ASN A 84 -11.645 0.622 15.190 1.00 23.21 O ATOM 1350 ND2 ASN A 84 -13.439 1.581 16.142 1.00 43.24 N ATOM 0 H ASN A 84 -10.137 -2.055 18.453 1.00 41.13 H new ATOM 0 HA ASN A 84 -10.408 -0.806 16.633 1.00 1.21 H new ATOM 0 HB2 ASN A 84 -12.536 -0.095 18.065 1.00 5.51 H new ATOM 0 HB3 ASN A 84 -11.694 1.437 18.186 1.00 5.51 H new ATOM 0 HD21 ASN A 84 -13.822 1.865 15.240 1.00 43.24 H new ATOM 0 HD22 ASN A 84 -13.939 1.806 17.002 1.00 43.24 H new ATOM 1357 N LEU A 85 -8.142 0.399 17.975 1.00 74.43 N ATOM 1358 CA LEU A 85 -6.969 1.265 17.991 1.00 52.41 C ATOM 1359 C LEU A 85 -6.210 1.179 16.671 1.00 60.23 C ATOM 1360 O LEU A 85 -4.991 1.349 16.631 1.00 3.10 O ATOM 1361 CB LEU A 85 -6.046 0.885 19.149 1.00 4.14 C ATOM 1362 CG LEU A 85 -6.274 1.634 20.463 1.00 25.41 C ATOM 1363 CD1 LEU A 85 -5.866 3.092 20.324 1.00 4.02 C ATOM 1364 CD2 LEU A 85 -7.729 1.524 20.894 1.00 62.30 C ATOM 0 H LEU A 85 -7.984 -0.532 18.361 1.00 74.43 H new ATOM 0 HA LEU A 85 -7.308 2.292 18.127 1.00 52.41 H new ATOM 0 HB2 LEU A 85 -6.155 -0.183 19.339 1.00 4.14 H new ATOM 0 HB3 LEU A 85 -5.015 1.049 18.835 1.00 4.14 H new ATOM 0 HG LEU A 85 -5.652 1.176 21.233 1.00 25.41 H new ATOM 0 HD11 LEU A 85 -6.035 3.609 21.269 1.00 4.02 H new ATOM 0 HD12 LEU A 85 -4.809 3.151 20.062 1.00 4.02 H new ATOM 0 HD13 LEU A 85 -6.460 3.563 19.541 1.00 4.02 H new ATOM 0 HD21 LEU A 85 -7.873 2.063 21.831 1.00 62.30 H new ATOM 0 HD22 LEU A 85 -8.370 1.956 20.125 1.00 62.30 H new ATOM 0 HD23 LEU A 85 -7.988 0.475 21.035 1.00 62.30 H new ATOM 1376 N LEU A 86 -6.938 0.915 15.592 1.00 55.34 N ATOM 1377 CA LEU A 86 -6.334 0.808 14.268 1.00 14.51 C ATOM 1378 C LEU A 86 -5.552 2.072 13.923 1.00 30.40 C ATOM 1379 O LEU A 86 -4.792 2.097 12.955 1.00 15.13 O ATOM 1380 CB LEU A 86 -7.413 0.558 13.212 1.00 3.43 C ATOM 1381 CG LEU A 86 -7.604 -0.896 12.779 1.00 3.42 C ATOM 1382 CD1 LEU A 86 -8.828 -1.031 11.888 1.00 53.54 C ATOM 1383 CD2 LEU A 86 -6.362 -1.406 12.063 1.00 23.34 C ATOM 0 H LEU A 86 -7.948 0.771 15.607 1.00 55.34 H new ATOM 0 HA LEU A 86 -5.642 -0.034 14.278 1.00 14.51 H new ATOM 0 HB2 LEU A 86 -8.363 0.929 13.597 1.00 3.43 H new ATOM 0 HB3 LEU A 86 -7.173 1.151 12.329 1.00 3.43 H new ATOM 0 HG LEU A 86 -7.761 -1.503 13.671 1.00 3.42 H new ATOM 0 HD11 LEU A 86 -8.948 -2.073 11.590 1.00 53.54 H new ATOM 0 HD12 LEU A 86 -9.713 -0.706 12.434 1.00 53.54 H new ATOM 0 HD13 LEU A 86 -8.702 -0.412 11.000 1.00 53.54 H new ATOM 0 HD21 LEU A 86 -6.515 -2.442 11.762 1.00 23.34 H new ATOM 0 HD22 LEU A 86 -6.175 -0.795 11.180 1.00 23.34 H new ATOM 0 HD23 LEU A 86 -5.505 -1.346 12.734 1.00 23.34 H new ATOM 1395 N GLU A 87 -5.742 3.116 14.723 1.00 51.32 N ATOM 1396 CA GLU A 87 -5.053 4.382 14.502 1.00 44.01 C ATOM 1397 C GLU A 87 -3.548 4.165 14.364 1.00 54.31 C ATOM 1398 O GLU A 87 -3.008 4.167 13.257 1.00 72.12 O ATOM 1399 CB GLU A 87 -5.336 5.350 15.652 1.00 0.33 C ATOM 1400 CG GLU A 87 -4.429 6.570 15.659 1.00 33.50 C ATOM 1401 CD GLU A 87 -5.001 7.718 16.468 1.00 75.44 C ATOM 1402 OE1 GLU A 87 -5.843 8.464 15.924 1.00 22.21 O ATOM 1403 OE2 GLU A 87 -4.608 7.870 17.643 1.00 53.32 O ATOM 0 H GLU A 87 -6.367 3.110 15.529 1.00 51.32 H new ATOM 0 HA GLU A 87 -5.428 4.813 13.574 1.00 44.01 H new ATOM 0 HB2 GLU A 87 -6.373 5.679 15.591 1.00 0.33 H new ATOM 0 HB3 GLU A 87 -5.225 4.820 16.598 1.00 0.33 H new ATOM 0 HG2 GLU A 87 -3.457 6.293 16.066 1.00 33.50 H new ATOM 0 HG3 GLU A 87 -4.263 6.900 14.634 1.00 33.50 H new ATOM 1410 N LEU A 88 -2.877 3.980 15.495 1.00 33.42 N ATOM 1411 CA LEU A 88 -1.435 3.762 15.502 1.00 21.23 C ATOM 1412 C LEU A 88 -1.096 2.341 15.061 1.00 14.44 C ATOM 1413 O LEU A 88 -0.015 2.086 14.531 1.00 75.34 O ATOM 1414 CB LEU A 88 -0.867 4.024 16.898 1.00 25.11 C ATOM 1415 CG LEU A 88 -0.807 2.818 17.836 1.00 72.30 C ATOM 1416 CD1 LEU A 88 -2.177 2.168 17.957 1.00 62.43 C ATOM 1417 CD2 LEU A 88 0.222 1.810 17.345 1.00 50.23 C ATOM 0 H LEU A 88 -3.308 3.977 16.419 1.00 33.42 H new ATOM 0 HA LEU A 88 -0.984 4.459 14.796 1.00 21.23 H new ATOM 0 HB2 LEU A 88 0.141 4.424 16.789 1.00 25.11 H new ATOM 0 HB3 LEU A 88 -1.468 4.799 17.373 1.00 25.11 H new ATOM 0 HG LEU A 88 -0.503 3.165 18.824 1.00 72.30 H new ATOM 0 HD11 LEU A 88 -2.115 1.312 18.628 1.00 62.43 H new ATOM 0 HD12 LEU A 88 -2.889 2.891 18.356 1.00 62.43 H new ATOM 0 HD13 LEU A 88 -2.510 1.835 16.974 1.00 62.43 H new ATOM 0 HD21 LEU A 88 0.251 0.959 18.025 1.00 50.23 H new ATOM 0 HD22 LEU A 88 -0.051 1.468 16.347 1.00 50.23 H new ATOM 0 HD23 LEU A 88 1.205 2.280 17.311 1.00 50.23 H new ATOM 1429 N VAL A 89 -2.029 1.420 15.283 1.00 0.41 N ATOM 1430 CA VAL A 89 -1.831 0.026 14.906 1.00 73.02 C ATOM 1431 C VAL A 89 -1.512 -0.102 13.420 1.00 14.54 C ATOM 1432 O VAL A 89 -0.852 -1.050 12.996 1.00 51.01 O ATOM 1433 CB VAL A 89 -3.075 -0.824 15.228 1.00 64.34 C ATOM 1434 CG1 VAL A 89 -3.086 -2.093 14.388 1.00 13.40 C ATOM 1435 CG2 VAL A 89 -3.123 -1.157 16.711 1.00 2.33 C ATOM 0 H VAL A 89 -2.929 1.615 15.722 1.00 0.41 H new ATOM 0 HA VAL A 89 -0.987 -0.343 15.489 1.00 73.02 H new ATOM 0 HB VAL A 89 -3.964 -0.244 14.980 1.00 64.34 H new ATOM 0 HG11 VAL A 89 -3.972 -2.681 14.629 1.00 13.40 H new ATOM 0 HG12 VAL A 89 -3.102 -1.829 13.331 1.00 13.40 H new ATOM 0 HG13 VAL A 89 -2.192 -2.679 14.602 1.00 13.40 H new ATOM 0 HG21 VAL A 89 -4.008 -1.758 16.921 1.00 2.33 H new ATOM 0 HG22 VAL A 89 -2.230 -1.718 16.987 1.00 2.33 H new ATOM 0 HG23 VAL A 89 -3.165 -0.234 17.290 1.00 2.33 H new ATOM 1445 N ASP A 90 -1.985 0.860 12.635 1.00 33.20 N ATOM 1446 CA ASP A 90 -1.749 0.857 11.196 1.00 74.41 C ATOM 1447 C ASP A 90 -0.313 0.449 10.882 1.00 53.25 C ATOM 1448 O ASP A 90 -0.077 -0.481 10.111 1.00 12.02 O ATOM 1449 CB ASP A 90 -2.042 2.237 10.607 1.00 44.44 C ATOM 1450 CG ASP A 90 -2.303 2.186 9.114 1.00 1.41 C ATOM 1451 OD1 ASP A 90 -3.453 1.896 8.723 1.00 3.11 O ATOM 1452 OD2 ASP A 90 -1.357 2.436 8.337 1.00 75.11 O ATOM 0 H ASP A 90 -2.534 1.651 12.971 1.00 33.20 H new ATOM 0 HA ASP A 90 -2.421 0.128 10.743 1.00 74.41 H new ATOM 0 HB2 ASP A 90 -2.908 2.667 11.110 1.00 44.44 H new ATOM 0 HB3 ASP A 90 -1.199 2.899 10.803 1.00 44.44 H new ATOM 1457 N GLN A 91 0.641 1.153 11.482 1.00 30.43 N ATOM 1458 CA GLN A 91 2.054 0.865 11.264 1.00 33.34 C ATOM 1459 C GLN A 91 2.499 -0.335 12.094 1.00 71.32 C ATOM 1460 O GLN A 91 2.938 -1.350 11.551 1.00 72.21 O ATOM 1461 CB GLN A 91 2.905 2.086 11.615 1.00 11.22 C ATOM 1462 CG GLN A 91 3.286 2.929 10.409 1.00 53.21 C ATOM 1463 CD GLN A 91 4.742 2.768 10.020 1.00 22.25 C ATOM 1464 OE1 GLN A 91 5.636 3.283 10.692 1.00 25.23 O ATOM 1465 NE2 GLN A 91 4.989 2.050 8.931 1.00 34.30 N ATOM 0 H GLN A 91 0.462 1.926 12.122 1.00 30.43 H new ATOM 0 HA GLN A 91 2.192 0.626 10.210 1.00 33.34 H new ATOM 0 HB2 GLN A 91 2.359 2.708 12.324 1.00 11.22 H new ATOM 0 HB3 GLN A 91 3.814 1.753 12.117 1.00 11.22 H new ATOM 0 HG2 GLN A 91 2.656 2.653 9.564 1.00 53.21 H new ATOM 0 HG3 GLN A 91 3.086 3.978 10.626 1.00 53.21 H new ATOM 0 HE21 GLN A 91 4.217 1.641 8.404 1.00 34.30 H new ATOM 0 HE22 GLN A 91 5.950 1.907 8.621 1.00 34.30 H new ATOM 1474 N LEU A 92 2.384 -0.213 13.411 1.00 14.35 N ATOM 1475 CA LEU A 92 2.775 -1.288 14.317 1.00 53.40 C ATOM 1476 C LEU A 92 2.491 -2.652 13.697 1.00 34.12 C ATOM 1477 O LEU A 92 3.374 -3.506 13.620 1.00 51.11 O ATOM 1478 CB LEU A 92 2.033 -1.155 15.648 1.00 12.11 C ATOM 1479 CG LEU A 92 2.114 -2.361 16.585 1.00 51.22 C ATOM 1480 CD1 LEU A 92 1.084 -3.410 16.195 1.00 11.42 C ATOM 1481 CD2 LEU A 92 3.515 -2.955 16.569 1.00 12.23 C ATOM 0 H LEU A 92 2.023 0.620 13.876 1.00 14.35 H new ATOM 0 HA LEU A 92 3.847 -1.207 14.497 1.00 53.40 H new ATOM 0 HB2 LEU A 92 2.425 -0.284 16.174 1.00 12.11 H new ATOM 0 HB3 LEU A 92 0.983 -0.954 15.437 1.00 12.11 H new ATOM 0 HG LEU A 92 1.895 -2.025 17.598 1.00 51.22 H new ATOM 0 HD11 LEU A 92 1.156 -4.261 16.873 1.00 11.42 H new ATOM 0 HD12 LEU A 92 0.085 -2.980 16.258 1.00 11.42 H new ATOM 0 HD13 LEU A 92 1.272 -3.742 15.174 1.00 11.42 H new ATOM 0 HD21 LEU A 92 3.555 -3.812 17.241 1.00 12.23 H new ATOM 0 HD22 LEU A 92 3.763 -3.276 15.557 1.00 12.23 H new ATOM 0 HD23 LEU A 92 4.233 -2.203 16.897 1.00 12.23 H new ATOM 1493 N SER A 93 1.253 -2.849 13.255 1.00 33.30 N ATOM 1494 CA SER A 93 0.852 -4.111 12.643 1.00 14.40 C ATOM 1495 C SER A 93 1.689 -4.403 11.402 1.00 42.12 C ATOM 1496 O SER A 93 2.226 -5.500 11.245 1.00 2.12 O ATOM 1497 CB SER A 93 -0.633 -4.073 12.273 1.00 24.35 C ATOM 1498 OG SER A 93 -0.883 -3.110 11.265 1.00 1.30 O ATOM 0 H SER A 93 0.511 -2.152 13.309 1.00 33.30 H new ATOM 0 HA SER A 93 1.019 -4.908 13.368 1.00 14.40 H new ATOM 0 HB2 SER A 93 -0.950 -5.057 11.927 1.00 24.35 H new ATOM 0 HB3 SER A 93 -1.226 -3.840 13.158 1.00 24.35 H new ATOM 0 HG SER A 93 -0.779 -2.210 11.639 1.00 1.30 H new ATOM 1504 N HIS A 94 1.796 -3.413 10.521 1.00 1.12 N ATOM 1505 CA HIS A 94 2.569 -3.562 9.293 1.00 34.20 C ATOM 1506 C HIS A 94 4.065 -3.583 9.591 1.00 33.25 C ATOM 1507 O HIS A 94 4.886 -3.722 8.685 1.00 62.43 O ATOM 1508 CB HIS A 94 2.246 -2.426 8.322 1.00 64.45 C ATOM 1509 CG HIS A 94 2.079 -2.880 6.904 1.00 31.00 C ATOM 1510 ND1 HIS A 94 1.040 -3.687 6.490 1.00 64.20 N ATOM 1511 CD2 HIS A 94 2.824 -2.633 5.802 1.00 64.44 C ATOM 1512 CE1 HIS A 94 1.155 -3.919 5.194 1.00 5.05 C ATOM 1513 NE2 HIS A 94 2.230 -3.290 4.753 1.00 73.35 N ATOM 0 H HIS A 94 1.357 -2.499 10.635 1.00 1.12 H new ATOM 0 HA HIS A 94 2.295 -4.512 8.834 1.00 34.20 H new ATOM 0 HB2 HIS A 94 1.331 -1.931 8.647 1.00 64.45 H new ATOM 0 HB3 HIS A 94 3.043 -1.684 8.366 1.00 64.45 H new ATOM 0 HD2 HIS A 94 3.719 -2.031 5.756 1.00 64.44 H new ATOM 0 HE1 HIS A 94 0.485 -4.520 4.597 1.00 5.05 H new ATOM 0 HE2 HIS A 94 2.564 -3.292 3.789 1.00 73.35 H new ATOM 1521 N ILE A 95 4.411 -3.444 10.867 1.00 53.53 N ATOM 1522 CA ILE A 95 5.807 -3.447 11.284 1.00 44.15 C ATOM 1523 C ILE A 95 6.197 -4.791 11.889 1.00 63.23 C ATOM 1524 O ILE A 95 7.333 -5.245 11.740 1.00 54.33 O ATOM 1525 CB ILE A 95 6.092 -2.333 12.309 1.00 73.32 C ATOM 1526 CG1 ILE A 95 5.973 -0.959 11.647 1.00 10.34 C ATOM 1527 CG2 ILE A 95 7.473 -2.516 12.920 1.00 41.24 C ATOM 1528 CD1 ILE A 95 5.855 0.180 12.637 1.00 73.45 C ATOM 0 H ILE A 95 3.743 -3.328 11.629 1.00 53.53 H new ATOM 0 HA ILE A 95 6.403 -3.267 10.390 1.00 44.15 H new ATOM 0 HB ILE A 95 5.353 -2.396 13.107 1.00 73.32 H new ATOM 0 HG12 ILE A 95 6.846 -0.792 11.015 1.00 10.34 H new ATOM 0 HG13 ILE A 95 5.101 -0.954 10.993 1.00 10.34 H new ATOM 0 HG21 ILE A 95 7.660 -1.721 13.642 1.00 41.24 H new ATOM 0 HG22 ILE A 95 7.523 -3.482 13.422 1.00 41.24 H new ATOM 0 HG23 ILE A 95 8.227 -2.476 12.134 1.00 41.24 H new ATOM 0 HD11 ILE A 95 5.774 1.124 12.098 1.00 73.45 H new ATOM 0 HD12 ILE A 95 4.967 0.037 13.252 1.00 73.45 H new ATOM 0 HD13 ILE A 95 6.739 0.201 13.275 1.00 73.45 H new