USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 610 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 14 SER OG : rot 180:sc= 0.0281 USER MOD Single : A 15 ASN : amide:sc= -0.124 X(o=-0.12,f=-0.11) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 22 THR OG1 : rot 80:sc= 0.668 USER MOD Single : A 36 SER OG : rot 9:sc= 0.806 USER MOD Single : A 38 LYS NZ :NH3+ 125:sc= -0.371 (180deg=-0.981) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -0.913 K(o=-0.91,f=-2) USER MOD Single : A 44 TYR OH : rot -177:sc= 0.717 USER MOD Single : A 49 LYS NZ :NH3+ 152:sc=-0.00827 (180deg=-0.636) USER MOD Single : A 50 GLN : amide:sc=-0.00104 K(o=-0.001,f=-1.3) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= -1.93! USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl -109:sc= -0.34 (180deg=-2.93) USER MOD Single : A 63 ASN : amide:sc= -1.11 X(o=-1.1,f=-1.3) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -0.114 X(o=-0.11,f=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.049 USER MOD Single : A 78 SER OG : rot 180:sc= 0.0655 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -3.28! C(o=-3.3!,f=-4.7!) USER MOD Single : A 82 SER OG : rot 180:sc= -0.0873 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 165:sc= -0.0994 (180deg=-0.358) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 62:sc= 1.17 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot -66:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 194 N ARG A 13 10.213 -4.904 8.586 1.00 13.14 N ATOM 195 CA ARG A 13 9.056 -4.019 8.637 1.00 73.23 C ATOM 196 C ARG A 13 8.846 -3.320 7.296 1.00 65.44 C ATOM 197 O ARG A 13 7.714 -3.144 6.846 1.00 25.12 O ATOM 198 CB ARG A 13 9.229 -2.979 9.745 1.00 22.40 C ATOM 199 CG ARG A 13 9.350 -3.584 11.134 1.00 42.32 C ATOM 200 CD ARG A 13 8.003 -4.063 11.653 1.00 55.54 C ATOM 201 NE ARG A 13 8.120 -4.728 12.946 1.00 30.41 N ATOM 202 CZ ARG A 13 7.092 -5.275 13.587 1.00 1.13 C ATOM 203 NH1 ARG A 13 5.878 -5.234 13.057 1.00 13.50 N ATOM 204 NH2 ARG A 13 7.278 -5.864 14.761 1.00 31.22 N ATOM 0 HA ARG A 13 8.177 -4.626 8.853 1.00 73.23 H new ATOM 0 HB2 ARG A 13 10.119 -2.384 9.538 1.00 22.40 H new ATOM 0 HB3 ARG A 13 8.379 -2.297 9.728 1.00 22.40 H new ATOM 0 HG2 ARG A 13 10.049 -4.420 11.108 1.00 42.32 H new ATOM 0 HG3 ARG A 13 9.763 -2.844 11.820 1.00 42.32 H new ATOM 0 HD2 ARG A 13 7.326 -3.213 11.742 1.00 55.54 H new ATOM 0 HD3 ARG A 13 7.560 -4.749 10.931 1.00 55.54 H new ATOM 0 HE ARG A 13 9.041 -4.776 13.382 1.00 30.41 H new ATOM 0 HH11 ARG A 13 5.730 -4.782 12.155 1.00 13.50 H new ATOM 0 HH12 ARG A 13 5.091 -5.655 13.551 1.00 13.50 H new ATOM 0 HH21 ARG A 13 8.211 -5.897 15.173 1.00 31.22 H new ATOM 0 HH22 ARG A 13 6.488 -6.283 15.252 1.00 31.22 H new ATOM 218 N SER A 14 9.947 -2.925 6.664 1.00 55.22 N ATOM 219 CA SER A 14 9.884 -2.241 5.377 1.00 41.20 C ATOM 220 C SER A 14 9.324 -3.163 4.298 1.00 23.01 C ATOM 221 O SER A 14 8.485 -2.758 3.495 1.00 74.25 O ATOM 222 CB SER A 14 11.273 -1.746 4.970 1.00 22.11 C ATOM 223 OG SER A 14 12.269 -2.702 5.292 1.00 41.13 O ATOM 0 H SER A 14 10.892 -3.067 7.021 1.00 55.22 H new ATOM 0 HA SER A 14 9.217 -1.385 5.481 1.00 41.20 H new ATOM 0 HB2 SER A 14 11.291 -1.544 3.899 1.00 22.11 H new ATOM 0 HB3 SER A 14 11.490 -0.805 5.476 1.00 22.11 H new ATOM 0 HG SER A 14 13.148 -2.363 5.021 1.00 41.13 H new ATOM 229 N ASN A 15 9.796 -4.406 4.287 1.00 1.04 N ATOM 230 CA ASN A 15 9.344 -5.387 3.308 1.00 53.12 C ATOM 231 C ASN A 15 7.941 -5.883 3.644 1.00 71.45 C ATOM 232 O ASN A 15 7.213 -6.353 2.769 1.00 13.01 O ATOM 233 CB ASN A 15 10.316 -6.567 3.251 1.00 12.22 C ATOM 234 CG ASN A 15 9.692 -7.800 2.624 1.00 4.53 C ATOM 235 OD1 ASN A 15 9.603 -7.910 1.402 1.00 62.24 O ATOM 236 ND2 ASN A 15 9.257 -8.734 3.462 1.00 13.33 N ATOM 0 H ASN A 15 10.491 -4.757 4.945 1.00 1.04 H new ATOM 0 HA ASN A 15 9.315 -4.903 2.332 1.00 53.12 H new ATOM 0 HB2 ASN A 15 11.199 -6.280 2.680 1.00 12.22 H new ATOM 0 HB3 ASN A 15 10.652 -6.806 4.260 1.00 12.22 H new ATOM 0 HD21 ASN A 15 8.828 -9.585 3.099 1.00 13.33 H new ATOM 0 HD22 ASN A 15 9.352 -8.600 4.469 1.00 13.33 H new ATOM 243 N GLN A 16 7.569 -5.776 4.915 1.00 50.12 N ATOM 244 CA GLN A 16 6.254 -6.215 5.366 1.00 73.31 C ATOM 245 C GLN A 16 5.148 -5.469 4.626 1.00 60.03 C ATOM 246 O GLN A 16 4.249 -6.082 4.051 1.00 61.41 O ATOM 247 CB GLN A 16 6.110 -6.000 6.874 1.00 70.35 C ATOM 248 CG GLN A 16 4.777 -6.473 7.431 1.00 60.11 C ATOM 249 CD GLN A 16 4.887 -7.793 8.166 1.00 65.20 C ATOM 250 OE1 GLN A 16 5.385 -8.780 7.623 1.00 21.31 O ATOM 251 NE2 GLN A 16 4.423 -7.819 9.411 1.00 64.01 N ATOM 0 H GLN A 16 8.160 -5.389 5.651 1.00 50.12 H new ATOM 0 HA GLN A 16 6.159 -7.279 5.148 1.00 73.31 H new ATOM 0 HB2 GLN A 16 6.916 -6.526 7.386 1.00 70.35 H new ATOM 0 HB3 GLN A 16 6.231 -4.939 7.095 1.00 70.35 H new ATOM 0 HG2 GLN A 16 4.382 -5.716 8.109 1.00 60.11 H new ATOM 0 HG3 GLN A 16 4.062 -6.575 6.615 1.00 60.11 H new ATOM 0 HE21 GLN A 16 4.018 -6.978 9.822 1.00 64.01 H new ATOM 0 HE22 GLN A 16 4.472 -8.680 9.956 1.00 64.01 H new ATOM 260 N ALA A 17 5.221 -4.142 4.645 1.00 11.31 N ATOM 261 CA ALA A 17 4.228 -3.313 3.974 1.00 15.11 C ATOM 262 C ALA A 17 4.053 -3.733 2.519 1.00 65.54 C ATOM 263 O ALA A 17 2.932 -3.930 2.051 1.00 24.20 O ATOM 264 CB ALA A 17 4.622 -1.845 4.058 1.00 31.14 C ATOM 0 H ALA A 17 5.958 -3.618 5.118 1.00 11.31 H new ATOM 0 HA ALA A 17 3.273 -3.452 4.481 1.00 15.11 H new ATOM 0 HB1 ALA A 17 3.871 -1.237 3.553 1.00 31.14 H new ATOM 0 HB2 ALA A 17 4.688 -1.545 5.104 1.00 31.14 H new ATOM 0 HB3 ALA A 17 5.590 -1.700 3.578 1.00 31.14 H new ATOM 270 N GLU A 18 5.168 -3.868 1.809 1.00 43.15 N ATOM 271 CA GLU A 18 5.138 -4.263 0.405 1.00 34.45 C ATOM 272 C GLU A 18 4.338 -5.550 0.221 1.00 20.51 C ATOM 273 O GLU A 18 3.562 -5.681 -0.725 1.00 34.13 O ATOM 274 CB GLU A 18 6.559 -4.453 -0.127 1.00 0.44 C ATOM 275 CG GLU A 18 6.614 -4.833 -1.596 1.00 52.14 C ATOM 276 CD GLU A 18 7.779 -5.748 -1.920 1.00 23.31 C ATOM 277 OE1 GLU A 18 8.938 -5.321 -1.737 1.00 33.31 O ATOM 278 OE2 GLU A 18 7.531 -6.893 -2.354 1.00 52.32 O ATOM 0 H GLU A 18 6.104 -3.710 2.183 1.00 43.15 H new ATOM 0 HA GLU A 18 4.652 -3.467 -0.159 1.00 34.45 H new ATOM 0 HB2 GLU A 18 7.120 -3.530 0.022 1.00 0.44 H new ATOM 0 HB3 GLU A 18 7.056 -5.226 0.458 1.00 0.44 H new ATOM 0 HG2 GLU A 18 5.682 -5.325 -1.875 1.00 52.14 H new ATOM 0 HG3 GLU A 18 6.689 -3.928 -2.199 1.00 52.14 H new ATOM 285 N ASN A 19 4.535 -6.498 1.132 1.00 54.24 N ATOM 286 CA ASN A 19 3.834 -7.775 1.070 1.00 72.31 C ATOM 287 C ASN A 19 2.336 -7.585 1.286 1.00 51.04 C ATOM 288 O ASN A 19 1.517 -8.230 0.629 1.00 5.14 O ATOM 289 CB ASN A 19 4.393 -8.739 2.119 1.00 71.04 C ATOM 290 CG ASN A 19 3.558 -9.997 2.251 1.00 60.44 C ATOM 291 OD1 ASN A 19 3.091 -10.553 1.256 1.00 61.44 O ATOM 292 ND2 ASN A 19 3.366 -10.453 3.483 1.00 73.44 N ATOM 0 H ASN A 19 5.174 -6.406 1.922 1.00 54.24 H new ATOM 0 HA ASN A 19 3.989 -8.198 0.077 1.00 72.31 H new ATOM 0 HB2 ASN A 19 5.414 -9.010 1.851 1.00 71.04 H new ATOM 0 HB3 ASN A 19 4.440 -8.234 3.084 1.00 71.04 H new ATOM 0 HD21 ASN A 19 2.813 -11.296 3.634 1.00 73.44 H new ATOM 0 HD22 ASN A 19 3.772 -9.960 4.278 1.00 73.44 H new ATOM 299 N ILE A 20 1.985 -6.694 2.208 1.00 70.24 N ATOM 300 CA ILE A 20 0.586 -6.418 2.508 1.00 21.31 C ATOM 301 C ILE A 20 -0.145 -5.883 1.281 1.00 64.12 C ATOM 302 O ILE A 20 -1.175 -6.423 0.875 1.00 14.44 O ATOM 303 CB ILE A 20 0.447 -5.402 3.657 1.00 65.21 C ATOM 304 CG1 ILE A 20 1.123 -5.935 4.922 1.00 4.54 C ATOM 305 CG2 ILE A 20 -1.020 -5.099 3.921 1.00 31.03 C ATOM 306 CD1 ILE A 20 1.421 -4.861 5.945 1.00 11.03 C ATOM 0 H ILE A 20 2.650 -6.152 2.759 1.00 70.24 H new ATOM 0 HA ILE A 20 0.136 -7.363 2.812 1.00 21.31 H new ATOM 0 HB ILE A 20 0.942 -4.476 3.366 1.00 65.21 H new ATOM 0 HG12 ILE A 20 0.482 -6.690 5.376 1.00 4.54 H new ATOM 0 HG13 ILE A 20 2.054 -6.431 4.646 1.00 4.54 H new ATOM 0 HG21 ILE A 20 -1.102 -4.379 4.736 1.00 31.03 H new ATOM 0 HG22 ILE A 20 -1.473 -4.682 3.022 1.00 31.03 H new ATOM 0 HG23 ILE A 20 -1.538 -6.018 4.195 1.00 31.03 H new ATOM 0 HD11 ILE A 20 1.900 -5.310 6.815 1.00 11.03 H new ATOM 0 HD12 ILE A 20 2.087 -4.117 5.508 1.00 11.03 H new ATOM 0 HD13 ILE A 20 0.491 -4.381 6.250 1.00 11.03 H new ATOM 318 N ILE A 21 0.396 -4.822 0.693 1.00 71.44 N ATOM 319 CA ILE A 21 -0.203 -4.216 -0.491 1.00 23.53 C ATOM 320 C ILE A 21 -0.484 -5.265 -1.562 1.00 15.32 C ATOM 321 O ILE A 21 -1.532 -5.243 -2.208 1.00 32.44 O ATOM 322 CB ILE A 21 0.705 -3.123 -1.083 1.00 40.32 C ATOM 323 CG1 ILE A 21 0.945 -2.016 -0.055 1.00 32.11 C ATOM 324 CG2 ILE A 21 0.086 -2.551 -2.350 1.00 73.43 C ATOM 325 CD1 ILE A 21 1.920 -0.959 -0.523 1.00 43.50 C ATOM 0 H ILE A 21 1.248 -4.364 1.016 1.00 71.44 H new ATOM 0 HA ILE A 21 -1.143 -3.763 -0.174 1.00 23.53 H new ATOM 0 HB ILE A 21 1.666 -3.569 -1.339 1.00 40.32 H new ATOM 0 HG12 ILE A 21 -0.006 -1.541 0.184 1.00 32.11 H new ATOM 0 HG13 ILE A 21 1.319 -2.462 0.867 1.00 32.11 H new ATOM 0 HG21 ILE A 21 0.739 -1.779 -2.758 1.00 73.43 H new ATOM 0 HG22 ILE A 21 -0.039 -3.346 -3.085 1.00 73.43 H new ATOM 0 HG23 ILE A 21 -0.886 -2.117 -2.116 1.00 73.43 H new ATOM 0 HD11 ILE A 21 2.042 -0.206 0.256 1.00 43.50 H new ATOM 0 HD12 ILE A 21 2.884 -1.422 -0.735 1.00 43.50 H new ATOM 0 HD13 ILE A 21 1.538 -0.486 -1.428 1.00 43.50 H new ATOM 337 N THR A 22 0.459 -6.184 -1.744 1.00 41.22 N ATOM 338 CA THR A 22 0.313 -7.242 -2.737 1.00 12.13 C ATOM 339 C THR A 22 -0.959 -8.047 -2.499 1.00 21.33 C ATOM 340 O THR A 22 -1.552 -8.582 -3.436 1.00 44.41 O ATOM 341 CB THR A 22 1.522 -8.196 -2.722 1.00 35.23 C ATOM 342 OG1 THR A 22 2.733 -7.450 -2.566 1.00 1.44 O ATOM 343 CG2 THR A 22 1.584 -9.010 -4.006 1.00 41.40 C ATOM 0 H THR A 22 1.332 -6.217 -1.217 1.00 41.22 H new ATOM 0 HA THR A 22 0.255 -6.756 -3.711 1.00 12.13 H new ATOM 0 HB THR A 22 1.407 -8.880 -1.881 1.00 35.23 H new ATOM 0 HG1 THR A 22 2.857 -7.221 -1.621 1.00 1.44 H new ATOM 0 HG21 THR A 22 2.446 -9.677 -3.973 1.00 41.40 H new ATOM 0 HG22 THR A 22 0.673 -9.600 -4.107 1.00 41.40 H new ATOM 0 HG23 THR A 22 1.678 -8.338 -4.859 1.00 41.40 H new ATOM 351 N ASP A 23 -1.374 -8.131 -1.239 1.00 53.54 N ATOM 352 CA ASP A 23 -2.578 -8.870 -0.878 1.00 51.54 C ATOM 353 C ASP A 23 -3.805 -8.278 -1.563 1.00 14.22 C ATOM 354 O ASP A 23 -4.365 -8.876 -2.484 1.00 11.41 O ATOM 355 CB ASP A 23 -2.772 -8.862 0.639 1.00 1.21 C ATOM 356 CG ASP A 23 -3.919 -9.748 1.082 1.00 52.12 C ATOM 357 OD1 ASP A 23 -5.082 -9.299 0.998 1.00 43.11 O ATOM 358 OD2 ASP A 23 -3.655 -10.891 1.512 1.00 55.23 O ATOM 0 H ASP A 23 -0.894 -7.696 -0.451 1.00 53.54 H new ATOM 0 HA ASP A 23 -2.457 -9.899 -1.215 1.00 51.54 H new ATOM 0 HB2 ASP A 23 -1.853 -9.195 1.121 1.00 1.21 H new ATOM 0 HB3 ASP A 23 -2.956 -7.841 0.973 1.00 1.21 H new ATOM 363 N LEU A 24 -4.220 -7.101 -1.108 1.00 52.21 N ATOM 364 CA LEU A 24 -5.383 -6.428 -1.676 1.00 53.05 C ATOM 365 C LEU A 24 -5.299 -6.388 -3.199 1.00 73.52 C ATOM 366 O LEU A 24 -6.300 -6.582 -3.892 1.00 23.30 O ATOM 367 CB LEU A 24 -5.495 -5.005 -1.124 1.00 65.43 C ATOM 368 CG LEU A 24 -5.778 -4.888 0.374 1.00 43.24 C ATOM 369 CD1 LEU A 24 -6.070 -3.443 0.750 1.00 62.31 C ATOM 370 CD2 LEU A 24 -6.939 -5.789 0.769 1.00 2.42 C ATOM 0 H LEU A 24 -3.769 -6.593 -0.347 1.00 52.21 H new ATOM 0 HA LEU A 24 -6.272 -6.992 -1.393 1.00 53.05 H new ATOM 0 HB2 LEU A 24 -4.565 -4.478 -1.340 1.00 65.43 H new ATOM 0 HB3 LEU A 24 -6.288 -4.488 -1.665 1.00 65.43 H new ATOM 0 HG LEU A 24 -4.891 -5.212 0.919 1.00 43.24 H new ATOM 0 HD11 LEU A 24 -6.269 -3.379 1.820 1.00 62.31 H new ATOM 0 HD12 LEU A 24 -5.209 -2.822 0.503 1.00 62.31 H new ATOM 0 HD13 LEU A 24 -6.941 -3.092 0.197 1.00 62.31 H new ATOM 0 HD21 LEU A 24 -7.127 -5.693 1.838 1.00 2.42 H new ATOM 0 HD22 LEU A 24 -7.832 -5.496 0.216 1.00 2.42 H new ATOM 0 HD23 LEU A 24 -6.692 -6.825 0.536 1.00 2.42 H new ATOM 382 N LEU A 25 -4.101 -6.140 -3.714 1.00 63.33 N ATOM 383 CA LEU A 25 -3.886 -6.079 -5.156 1.00 3.33 C ATOM 384 C LEU A 25 -4.372 -7.355 -5.834 1.00 40.42 C ATOM 385 O LEU A 25 -5.056 -7.305 -6.856 1.00 53.24 O ATOM 386 CB LEU A 25 -2.403 -5.858 -5.462 1.00 24.34 C ATOM 387 CG LEU A 25 -1.982 -4.416 -5.741 1.00 40.45 C ATOM 388 CD1 LEU A 25 -2.461 -3.494 -4.630 1.00 73.15 C ATOM 389 CD2 LEU A 25 -0.471 -4.322 -5.900 1.00 31.21 C ATOM 0 H LEU A 25 -3.263 -5.978 -3.155 1.00 63.33 H new ATOM 0 HA LEU A 25 -4.461 -5.240 -5.548 1.00 3.33 H new ATOM 0 HB2 LEU A 25 -1.820 -6.229 -4.619 1.00 24.34 H new ATOM 0 HB3 LEU A 25 -2.137 -6.467 -6.326 1.00 24.34 H new ATOM 0 HG LEU A 25 -2.446 -4.098 -6.674 1.00 40.45 H new ATOM 0 HD11 LEU A 25 -2.151 -2.472 -4.847 1.00 73.15 H new ATOM 0 HD12 LEU A 25 -3.548 -3.538 -4.564 1.00 73.15 H new ATOM 0 HD13 LEU A 25 -2.027 -3.811 -3.682 1.00 73.15 H new ATOM 0 HD21 LEU A 25 -0.190 -3.288 -6.098 1.00 31.21 H new ATOM 0 HD22 LEU A 25 0.013 -4.661 -4.984 1.00 31.21 H new ATOM 0 HD23 LEU A 25 -0.153 -4.950 -6.732 1.00 31.21 H new ATOM 401 N ASP A 26 -4.017 -8.498 -5.258 1.00 20.14 N ATOM 402 CA ASP A 26 -4.420 -9.788 -5.804 1.00 52.44 C ATOM 403 C ASP A 26 -5.938 -9.932 -5.795 1.00 1.22 C ATOM 404 O ASP A 26 -6.540 -10.337 -6.790 1.00 2.43 O ATOM 405 CB ASP A 26 -3.782 -10.926 -5.006 1.00 21.22 C ATOM 406 CG ASP A 26 -4.291 -12.289 -5.433 1.00 62.13 C ATOM 407 OD1 ASP A 26 -3.960 -12.721 -6.557 1.00 22.33 O ATOM 408 OD2 ASP A 26 -5.020 -12.923 -4.642 1.00 73.11 O ATOM 0 H ASP A 26 -3.450 -8.557 -4.412 1.00 20.14 H new ATOM 0 HA ASP A 26 -4.075 -9.841 -6.836 1.00 52.44 H new ATOM 0 HB2 ASP A 26 -2.700 -10.890 -5.130 1.00 21.22 H new ATOM 0 HB3 ASP A 26 -3.986 -10.781 -3.945 1.00 21.22 H new ATOM 413 N ASP A 27 -6.552 -9.599 -4.664 1.00 62.32 N ATOM 414 CA ASP A 27 -8.000 -9.691 -4.524 1.00 32.23 C ATOM 415 C ASP A 27 -8.702 -8.790 -5.535 1.00 23.14 C ATOM 416 O ASP A 27 -9.627 -9.218 -6.227 1.00 3.10 O ATOM 417 CB ASP A 27 -8.422 -9.311 -3.104 1.00 22.43 C ATOM 418 CG ASP A 27 -9.530 -10.199 -2.572 1.00 24.02 C ATOM 419 OD1 ASP A 27 -10.600 -10.259 -3.211 1.00 72.51 O ATOM 420 OD2 ASP A 27 -9.325 -10.832 -1.516 1.00 22.44 O ATOM 0 H ASP A 27 -6.069 -9.263 -3.831 1.00 62.32 H new ATOM 0 HA ASP A 27 -8.294 -10.723 -4.718 1.00 32.23 H new ATOM 0 HB2 ASP A 27 -7.559 -9.376 -2.442 1.00 22.43 H new ATOM 0 HB3 ASP A 27 -8.755 -8.273 -3.092 1.00 22.43 H new ATOM 425 N LEU A 28 -8.258 -7.540 -5.615 1.00 23.43 N ATOM 426 CA LEU A 28 -8.844 -6.577 -6.541 1.00 22.43 C ATOM 427 C LEU A 28 -8.529 -6.951 -7.985 1.00 0.41 C ATOM 428 O LEU A 28 -9.242 -6.558 -8.910 1.00 2.24 O ATOM 429 CB LEU A 28 -8.326 -5.170 -6.240 1.00 2.01 C ATOM 430 CG LEU A 28 -9.284 -4.250 -5.484 1.00 2.41 C ATOM 431 CD1 LEU A 28 -8.589 -2.949 -5.108 1.00 30.35 C ATOM 432 CD2 LEU A 28 -10.525 -3.971 -6.318 1.00 3.41 C ATOM 0 H LEU A 28 -7.494 -7.170 -5.050 1.00 23.43 H new ATOM 0 HA LEU A 28 -9.926 -6.594 -6.409 1.00 22.43 H new ATOM 0 HB2 LEU A 28 -7.407 -5.259 -5.661 1.00 2.01 H new ATOM 0 HB3 LEU A 28 -8.063 -4.692 -7.184 1.00 2.01 H new ATOM 0 HG LEU A 28 -9.592 -4.752 -4.567 1.00 2.41 H new ATOM 0 HD11 LEU A 28 -9.286 -2.306 -4.570 1.00 30.35 H new ATOM 0 HD12 LEU A 28 -7.731 -3.166 -4.472 1.00 30.35 H new ATOM 0 HD13 LEU A 28 -8.252 -2.442 -6.012 1.00 30.35 H new ATOM 0 HD21 LEU A 28 -11.196 -3.314 -5.764 1.00 3.41 H new ATOM 0 HD22 LEU A 28 -10.235 -3.489 -7.252 1.00 3.41 H new ATOM 0 HD23 LEU A 28 -11.035 -4.909 -6.537 1.00 3.41 H new ATOM 552 N SER A 36 -8.804 1.239 -11.590 1.00 43.20 N ATOM 553 CA SER A 36 -7.922 2.400 -11.641 1.00 72.03 C ATOM 554 C SER A 36 -7.339 2.700 -10.263 1.00 62.13 C ATOM 555 O SER A 36 -6.234 3.232 -10.146 1.00 34.40 O ATOM 556 CB SER A 36 -8.682 3.620 -12.163 1.00 1.41 C ATOM 557 OG SER A 36 -10.071 3.358 -12.251 1.00 31.10 O ATOM 0 HA SER A 36 -7.101 2.173 -12.322 1.00 72.03 H new ATOM 0 HB2 SER A 36 -8.510 4.469 -11.502 1.00 1.41 H new ATOM 0 HB3 SER A 36 -8.299 3.898 -13.145 1.00 1.41 H new ATOM 0 HG SER A 36 -10.268 2.495 -11.830 1.00 31.10 H new ATOM 563 N LEU A 37 -8.089 2.354 -9.222 1.00 50.23 N ATOM 564 CA LEU A 37 -7.649 2.586 -7.851 1.00 40.14 C ATOM 565 C LEU A 37 -6.308 1.906 -7.588 1.00 15.12 C ATOM 566 O LEU A 37 -5.453 2.447 -6.887 1.00 72.14 O ATOM 567 CB LEU A 37 -8.697 2.071 -6.864 1.00 71.33 C ATOM 568 CG LEU A 37 -8.916 2.922 -5.612 1.00 70.43 C ATOM 569 CD1 LEU A 37 -7.589 3.216 -4.929 1.00 31.40 C ATOM 570 CD2 LEU A 37 -9.634 4.216 -5.966 1.00 75.24 C ATOM 0 H LEU A 37 -9.005 1.912 -9.302 1.00 50.23 H new ATOM 0 HA LEU A 37 -7.525 3.660 -7.712 1.00 40.14 H new ATOM 0 HB2 LEU A 37 -9.648 1.981 -7.389 1.00 71.33 H new ATOM 0 HB3 LEU A 37 -8.410 1.067 -6.551 1.00 71.33 H new ATOM 0 HG LEU A 37 -9.542 2.361 -4.918 1.00 70.43 H new ATOM 0 HD11 LEU A 37 -7.764 3.822 -4.040 1.00 31.40 H new ATOM 0 HD12 LEU A 37 -7.113 2.279 -4.641 1.00 31.40 H new ATOM 0 HD13 LEU A 37 -6.939 3.758 -5.616 1.00 31.40 H new ATOM 0 HD21 LEU A 37 -9.781 4.809 -5.063 1.00 75.24 H new ATOM 0 HD22 LEU A 37 -9.034 4.782 -6.678 1.00 75.24 H new ATOM 0 HD23 LEU A 37 -10.602 3.985 -6.411 1.00 75.24 H new ATOM 582 N LYS A 38 -6.132 0.717 -8.156 1.00 14.34 N ATOM 583 CA LYS A 38 -4.895 -0.035 -7.987 1.00 34.32 C ATOM 584 C LYS A 38 -3.682 0.830 -8.314 1.00 31.33 C ATOM 585 O LYS A 38 -2.587 0.601 -7.800 1.00 62.53 O ATOM 586 CB LYS A 38 -4.904 -1.279 -8.879 1.00 52.43 C ATOM 587 CG LYS A 38 -5.693 -2.439 -8.298 1.00 61.13 C ATOM 588 CD LYS A 38 -6.394 -3.237 -9.385 1.00 62.25 C ATOM 589 CE LYS A 38 -5.507 -4.353 -9.917 1.00 10.14 C ATOM 590 NZ LYS A 38 -5.160 -5.338 -8.856 1.00 23.33 N ATOM 0 H LYS A 38 -6.831 0.254 -8.737 1.00 14.34 H new ATOM 0 HA LYS A 38 -4.827 -0.344 -6.944 1.00 34.32 H new ATOM 0 HB2 LYS A 38 -5.323 -1.016 -9.850 1.00 52.43 H new ATOM 0 HB3 LYS A 38 -3.877 -1.600 -9.051 1.00 52.43 H new ATOM 0 HG2 LYS A 38 -5.023 -3.093 -7.740 1.00 61.13 H new ATOM 0 HG3 LYS A 38 -6.431 -2.060 -7.590 1.00 61.13 H new ATOM 0 HD2 LYS A 38 -7.316 -3.661 -8.989 1.00 62.25 H new ATOM 0 HD3 LYS A 38 -6.674 -2.573 -10.202 1.00 62.25 H new ATOM 0 HE2 LYS A 38 -6.016 -4.864 -10.734 1.00 10.14 H new ATOM 0 HE3 LYS A 38 -4.593 -3.925 -10.329 1.00 10.14 H new ATOM 0 HZ1 LYS A 38 -5.431 -6.293 -9.167 1.00 23.33 H new ATOM 0 HZ2 LYS A 38 -4.136 -5.309 -8.677 1.00 23.33 H new ATOM 0 HZ3 LYS A 38 -5.671 -5.101 -7.982 1.00 23.33 H new ATOM 604 N LYS A 39 -3.885 1.825 -9.170 1.00 5.24 N ATOM 605 CA LYS A 39 -2.808 2.727 -9.563 1.00 32.40 C ATOM 606 C LYS A 39 -2.108 3.305 -8.338 1.00 13.44 C ATOM 607 O LYS A 39 -0.894 3.511 -8.344 1.00 60.41 O ATOM 608 CB LYS A 39 -3.358 3.861 -10.432 1.00 61.54 C ATOM 609 CG LYS A 39 -4.005 4.980 -9.635 1.00 21.52 C ATOM 610 CD LYS A 39 -4.861 5.872 -10.519 1.00 3.14 C ATOM 611 CE LYS A 39 -4.043 6.492 -11.642 1.00 24.14 C ATOM 612 NZ LYS A 39 -4.107 7.980 -11.617 1.00 22.12 N ATOM 0 H LYS A 39 -4.785 2.028 -9.605 1.00 5.24 H new ATOM 0 HA LYS A 39 -2.080 2.155 -10.139 1.00 32.40 H new ATOM 0 HB2 LYS A 39 -2.546 4.275 -11.030 1.00 61.54 H new ATOM 0 HB3 LYS A 39 -4.090 3.452 -11.128 1.00 61.54 H new ATOM 0 HG2 LYS A 39 -4.620 4.554 -8.842 1.00 21.52 H new ATOM 0 HG3 LYS A 39 -3.232 5.578 -9.153 1.00 21.52 H new ATOM 0 HD2 LYS A 39 -5.679 5.289 -10.942 1.00 3.14 H new ATOM 0 HD3 LYS A 39 -5.310 6.661 -9.916 1.00 3.14 H new ATOM 0 HE2 LYS A 39 -3.005 6.171 -11.555 1.00 24.14 H new ATOM 0 HE3 LYS A 39 -4.410 6.129 -12.602 1.00 24.14 H new ATOM 0 HZ1 LYS A 39 -3.537 8.365 -12.397 1.00 22.12 H new ATOM 0 HZ2 LYS A 39 -5.095 8.287 -11.725 1.00 22.12 H new ATOM 0 HZ3 LYS A 39 -3.734 8.328 -10.711 1.00 22.12 H new ATOM 626 N VAL A 40 -2.880 3.565 -7.287 1.00 62.34 N ATOM 627 CA VAL A 40 -2.332 4.117 -6.055 1.00 22.44 C ATOM 628 C VAL A 40 -1.448 3.099 -5.341 1.00 54.21 C ATOM 629 O VAL A 40 -0.237 3.289 -5.222 1.00 52.01 O ATOM 630 CB VAL A 40 -3.451 4.569 -5.097 1.00 33.34 C ATOM 631 CG1 VAL A 40 -2.896 4.803 -3.700 1.00 55.32 C ATOM 632 CG2 VAL A 40 -4.131 5.823 -5.626 1.00 4.33 C ATOM 0 H VAL A 40 -3.887 3.402 -7.265 1.00 62.34 H new ATOM 0 HA VAL A 40 -1.731 4.982 -6.336 1.00 22.44 H new ATOM 0 HB VAL A 40 -4.197 3.776 -5.038 1.00 33.34 H new ATOM 0 HG11 VAL A 40 -3.701 5.122 -3.037 1.00 55.32 H new ATOM 0 HG12 VAL A 40 -2.460 3.878 -3.322 1.00 55.32 H new ATOM 0 HG13 VAL A 40 -2.129 5.577 -3.738 1.00 55.32 H new ATOM 0 HG21 VAL A 40 -4.919 6.128 -4.937 1.00 4.33 H new ATOM 0 HG22 VAL A 40 -3.397 6.624 -5.716 1.00 4.33 H new ATOM 0 HG23 VAL A 40 -4.565 5.616 -6.604 1.00 4.33 H new ATOM 642 N LEU A 41 -2.062 2.020 -4.869 1.00 64.23 N ATOM 643 CA LEU A 41 -1.331 0.970 -4.168 1.00 43.34 C ATOM 644 C LEU A 41 -0.114 0.522 -4.973 1.00 52.51 C ATOM 645 O LEU A 41 0.992 0.430 -4.443 1.00 4.11 O ATOM 646 CB LEU A 41 -2.247 -0.225 -3.899 1.00 44.32 C ATOM 647 CG LEU A 41 -3.569 0.087 -3.199 1.00 12.34 C ATOM 648 CD1 LEU A 41 -4.674 -0.822 -3.713 1.00 41.41 C ATOM 649 CD2 LEU A 41 -3.419 -0.052 -1.690 1.00 72.42 C ATOM 0 H LEU A 41 -3.064 1.849 -4.959 1.00 64.23 H new ATOM 0 HA LEU A 41 -0.985 1.376 -3.217 1.00 43.34 H new ATOM 0 HB2 LEU A 41 -2.468 -0.709 -4.850 1.00 44.32 H new ATOM 0 HB3 LEU A 41 -1.700 -0.947 -3.293 1.00 44.32 H new ATOM 0 HG LEU A 41 -3.842 1.118 -3.424 1.00 12.34 H new ATOM 0 HD11 LEU A 41 -5.607 -0.585 -3.203 1.00 41.41 H new ATOM 0 HD12 LEU A 41 -4.799 -0.673 -4.785 1.00 41.41 H new ATOM 0 HD13 LEU A 41 -4.409 -1.862 -3.520 1.00 41.41 H new ATOM 0 HD21 LEU A 41 -4.370 0.174 -1.208 1.00 72.42 H new ATOM 0 HD22 LEU A 41 -3.122 -1.072 -1.446 1.00 72.42 H new ATOM 0 HD23 LEU A 41 -2.658 0.643 -1.335 1.00 72.42 H new ATOM 661 N GLU A 42 -0.329 0.248 -6.256 1.00 40.21 N ATOM 662 CA GLU A 42 0.751 -0.188 -7.133 1.00 12.31 C ATOM 663 C GLU A 42 1.872 0.846 -7.172 1.00 43.35 C ATOM 664 O GLU A 42 3.024 0.540 -6.869 1.00 53.42 O ATOM 665 CB GLU A 42 0.220 -0.436 -8.547 1.00 51.42 C ATOM 666 CG GLU A 42 -0.612 -1.701 -8.672 1.00 64.04 C ATOM 667 CD GLU A 42 -0.446 -2.376 -10.020 1.00 50.14 C ATOM 668 OE1 GLU A 42 0.086 -1.729 -10.946 1.00 15.02 O ATOM 669 OE2 GLU A 42 -0.849 -3.551 -10.149 1.00 15.43 O ATOM 0 H GLU A 42 -1.239 0.320 -6.710 1.00 40.21 H new ATOM 0 HA GLU A 42 1.154 -1.119 -6.735 1.00 12.31 H new ATOM 0 HB2 GLU A 42 -0.384 0.418 -8.854 1.00 51.42 H new ATOM 0 HB3 GLU A 42 1.062 -0.495 -9.237 1.00 51.42 H new ATOM 0 HG2 GLU A 42 -0.328 -2.398 -7.883 1.00 64.04 H new ATOM 0 HG3 GLU A 42 -1.663 -1.457 -8.519 1.00 64.04 H new ATOM 676 N ASN A 43 1.524 2.073 -7.549 1.00 64.21 N ATOM 677 CA ASN A 43 2.501 3.153 -7.630 1.00 33.31 C ATOM 678 C ASN A 43 3.289 3.272 -6.329 1.00 13.23 C ATOM 679 O ASN A 43 4.501 3.057 -6.303 1.00 13.12 O ATOM 680 CB ASN A 43 1.802 4.478 -7.939 1.00 63.03 C ATOM 681 CG ASN A 43 1.445 4.616 -9.406 1.00 64.13 C ATOM 682 OD1 ASN A 43 1.403 3.628 -10.141 1.00 53.13 O ATOM 683 ND2 ASN A 43 1.189 5.844 -9.840 1.00 62.55 N ATOM 0 H ASN A 43 0.574 2.343 -7.803 1.00 64.21 H new ATOM 0 HA ASN A 43 3.197 2.921 -8.436 1.00 33.31 H new ATOM 0 HB2 ASN A 43 0.896 4.556 -7.339 1.00 63.03 H new ATOM 0 HB3 ASN A 43 2.450 5.304 -7.646 1.00 63.03 H new ATOM 0 HD21 ASN A 43 0.945 5.999 -10.818 1.00 62.55 H new ATOM 0 HD22 ASN A 43 1.236 6.633 -9.195 1.00 62.55 H new ATOM 690 N TYR A 44 2.593 3.615 -5.251 1.00 54.50 N ATOM 691 CA TYR A 44 3.226 3.765 -3.946 1.00 72.03 C ATOM 692 C TYR A 44 4.058 2.534 -3.601 1.00 32.42 C ATOM 693 O TYR A 44 5.170 2.646 -3.084 1.00 70.03 O ATOM 694 CB TYR A 44 2.169 4.001 -2.867 1.00 21.52 C ATOM 695 CG TYR A 44 1.696 5.434 -2.786 1.00 14.10 C ATOM 696 CD1 TYR A 44 2.471 6.409 -2.172 1.00 14.34 C ATOM 697 CD2 TYR A 44 0.472 5.813 -3.324 1.00 41.22 C ATOM 698 CE1 TYR A 44 2.041 7.720 -2.094 1.00 54.03 C ATOM 699 CE2 TYR A 44 0.035 7.122 -3.254 1.00 2.11 C ATOM 700 CZ TYR A 44 0.823 8.071 -2.637 1.00 10.10 C ATOM 701 OH TYR A 44 0.392 9.376 -2.564 1.00 1.23 O ATOM 0 H TYR A 44 1.589 3.795 -5.255 1.00 54.50 H new ATOM 0 HA TYR A 44 3.889 4.629 -3.988 1.00 72.03 H new ATOM 0 HB2 TYR A 44 1.313 3.355 -3.062 1.00 21.52 H new ATOM 0 HB3 TYR A 44 2.577 3.707 -1.900 1.00 21.52 H new ATOM 0 HD1 TYR A 44 3.427 6.138 -1.748 1.00 14.34 H new ATOM 0 HD2 TYR A 44 -0.148 5.071 -3.805 1.00 41.22 H new ATOM 0 HE1 TYR A 44 2.655 8.465 -1.611 1.00 54.03 H new ATOM 0 HE2 TYR A 44 -0.918 7.400 -3.680 1.00 2.11 H new ATOM 0 HH TYR A 44 -0.505 9.446 -2.952 1.00 1.23 H new ATOM 711 N LEU A 45 3.510 1.358 -3.889 1.00 0.11 N ATOM 712 CA LEU A 45 4.199 0.104 -3.609 1.00 62.52 C ATOM 713 C LEU A 45 5.559 0.064 -4.300 1.00 10.32 C ATOM 714 O LEU A 45 6.561 -0.315 -3.695 1.00 24.44 O ATOM 715 CB LEU A 45 3.348 -1.082 -4.066 1.00 74.25 C ATOM 716 CG LEU A 45 4.044 -2.444 -4.077 1.00 30.31 C ATOM 717 CD1 LEU A 45 4.274 -2.936 -2.656 1.00 61.41 C ATOM 718 CD2 LEU A 45 3.226 -3.455 -4.868 1.00 31.11 C ATOM 0 H LEU A 45 2.590 1.247 -4.316 1.00 0.11 H new ATOM 0 HA LEU A 45 4.356 0.037 -2.532 1.00 62.52 H new ATOM 0 HB2 LEU A 45 2.475 -1.148 -3.417 1.00 74.25 H new ATOM 0 HB3 LEU A 45 2.983 -0.875 -5.072 1.00 74.25 H new ATOM 0 HG LEU A 45 5.013 -2.332 -4.563 1.00 30.31 H new ATOM 0 HD11 LEU A 45 4.770 -3.906 -2.683 1.00 61.41 H new ATOM 0 HD12 LEU A 45 4.901 -2.223 -2.121 1.00 61.41 H new ATOM 0 HD13 LEU A 45 3.316 -3.032 -2.145 1.00 61.41 H new ATOM 0 HD21 LEU A 45 3.736 -4.418 -4.865 1.00 31.11 H new ATOM 0 HD22 LEU A 45 2.242 -3.564 -4.411 1.00 31.11 H new ATOM 0 HD23 LEU A 45 3.113 -3.108 -5.895 1.00 31.11 H new ATOM 730 N GLU A 46 5.585 0.461 -5.568 1.00 55.42 N ATOM 731 CA GLU A 46 6.822 0.472 -6.339 1.00 62.40 C ATOM 732 C GLU A 46 7.857 1.388 -5.694 1.00 5.45 C ATOM 733 O GLU A 46 9.059 1.130 -5.762 1.00 40.42 O ATOM 734 CB GLU A 46 6.550 0.924 -7.775 1.00 44.21 C ATOM 735 CG GLU A 46 7.436 0.244 -8.805 1.00 71.34 C ATOM 736 CD GLU A 46 7.042 -1.200 -9.053 1.00 11.23 C ATOM 737 OE1 GLU A 46 5.864 -1.542 -8.817 1.00 42.41 O ATOM 738 OE2 GLU A 46 7.911 -1.987 -9.483 1.00 2.44 O ATOM 0 H GLU A 46 4.764 0.779 -6.083 1.00 55.42 H new ATOM 0 HA GLU A 46 7.219 -0.543 -6.354 1.00 62.40 H new ATOM 0 HB2 GLU A 46 5.506 0.725 -8.018 1.00 44.21 H new ATOM 0 HB3 GLU A 46 6.693 2.003 -7.841 1.00 44.21 H new ATOM 0 HG2 GLU A 46 7.386 0.797 -9.743 1.00 71.34 H new ATOM 0 HG3 GLU A 46 8.472 0.281 -8.468 1.00 71.34 H new ATOM 745 N GLU A 47 7.382 2.461 -5.068 1.00 61.41 N ATOM 746 CA GLU A 47 8.266 3.417 -4.411 1.00 62.24 C ATOM 747 C GLU A 47 9.123 2.727 -3.353 1.00 35.34 C ATOM 748 O GLU A 47 10.293 3.064 -3.169 1.00 51.23 O ATOM 749 CB GLU A 47 7.452 4.542 -3.770 1.00 14.24 C ATOM 750 CG GLU A 47 6.452 5.185 -4.716 1.00 53.40 C ATOM 751 CD GLU A 47 5.851 6.458 -4.153 1.00 14.01 C ATOM 752 OE1 GLU A 47 6.556 7.167 -3.405 1.00 53.32 O ATOM 753 OE2 GLU A 47 4.675 6.745 -4.461 1.00 52.12 O ATOM 0 H GLU A 47 6.390 2.690 -5.002 1.00 61.41 H new ATOM 0 HA GLU A 47 8.926 3.842 -5.168 1.00 62.24 H new ATOM 0 HB2 GLU A 47 6.919 4.146 -2.906 1.00 14.24 H new ATOM 0 HB3 GLU A 47 8.134 5.308 -3.401 1.00 14.24 H new ATOM 0 HG2 GLU A 47 6.945 5.408 -5.662 1.00 53.40 H new ATOM 0 HG3 GLU A 47 5.653 4.475 -4.932 1.00 53.40 H new ATOM 760 N LEU A 48 8.531 1.761 -2.659 1.00 11.31 N ATOM 761 CA LEU A 48 9.239 1.023 -1.619 1.00 10.44 C ATOM 762 C LEU A 48 10.511 0.388 -2.170 1.00 0.03 C ATOM 763 O LEU A 48 11.503 0.238 -1.456 1.00 31.10 O ATOM 764 CB LEU A 48 8.333 -0.056 -1.025 1.00 33.42 C ATOM 765 CG LEU A 48 7.208 0.438 -0.113 1.00 3.14 C ATOM 766 CD1 LEU A 48 5.891 -0.225 -0.483 1.00 75.13 C ATOM 767 CD2 LEU A 48 7.550 0.172 1.346 1.00 63.41 C ATOM 0 H LEU A 48 7.563 1.471 -2.798 1.00 11.31 H new ATOM 0 HA LEU A 48 9.518 1.727 -0.835 1.00 10.44 H new ATOM 0 HB2 LEU A 48 7.888 -0.620 -1.845 1.00 33.42 H new ATOM 0 HB3 LEU A 48 8.953 -0.752 -0.459 1.00 33.42 H new ATOM 0 HG LEU A 48 7.100 1.514 -0.250 1.00 3.14 H new ATOM 0 HD11 LEU A 48 5.103 0.139 0.176 1.00 75.13 H new ATOM 0 HD12 LEU A 48 5.640 0.016 -1.516 1.00 75.13 H new ATOM 0 HD13 LEU A 48 5.985 -1.306 -0.375 1.00 75.13 H new ATOM 0 HD21 LEU A 48 6.739 0.530 1.981 1.00 63.41 H new ATOM 0 HD22 LEU A 48 7.685 -0.899 1.499 1.00 63.41 H new ATOM 0 HD23 LEU A 48 8.471 0.694 1.605 1.00 63.41 H new ATOM 779 N LYS A 49 10.477 0.019 -3.446 1.00 21.14 N ATOM 780 CA LYS A 49 11.628 -0.596 -4.096 1.00 52.14 C ATOM 781 C LYS A 49 12.681 0.451 -4.442 1.00 43.15 C ATOM 782 O LYS A 49 13.868 0.140 -4.538 1.00 63.34 O ATOM 783 CB LYS A 49 11.189 -1.333 -5.364 1.00 45.52 C ATOM 784 CG LYS A 49 10.345 -2.566 -5.090 1.00 45.44 C ATOM 785 CD LYS A 49 8.892 -2.202 -4.840 1.00 72.21 C ATOM 786 CE LYS A 49 7.948 -3.170 -5.538 1.00 54.21 C ATOM 787 NZ LYS A 49 8.259 -4.587 -5.203 1.00 71.05 N ATOM 0 H LYS A 49 9.664 0.135 -4.051 1.00 21.14 H new ATOM 0 HA LYS A 49 12.068 -1.311 -3.401 1.00 52.14 H new ATOM 0 HB2 LYS A 49 10.622 -0.648 -5.994 1.00 45.52 H new ATOM 0 HB3 LYS A 49 12.074 -1.627 -5.928 1.00 45.52 H new ATOM 0 HG2 LYS A 49 10.410 -3.248 -5.938 1.00 45.44 H new ATOM 0 HG3 LYS A 49 10.743 -3.095 -4.224 1.00 45.44 H new ATOM 0 HD2 LYS A 49 8.693 -2.207 -3.768 1.00 72.21 H new ATOM 0 HD3 LYS A 49 8.703 -1.189 -5.194 1.00 72.21 H new ATOM 0 HE2 LYS A 49 6.921 -2.946 -5.251 1.00 54.21 H new ATOM 0 HE3 LYS A 49 8.015 -3.029 -6.617 1.00 54.21 H new ATOM 0 HZ1 LYS A 49 7.393 -5.158 -5.272 1.00 71.05 H new ATOM 0 HZ2 LYS A 49 8.969 -4.953 -5.869 1.00 71.05 H new ATOM 0 HZ3 LYS A 49 8.632 -4.641 -4.234 1.00 71.05 H new ATOM 801 N GLN A 50 12.239 1.690 -4.626 1.00 4.20 N ATOM 802 CA GLN A 50 13.146 2.782 -4.961 1.00 2.11 C ATOM 803 C GLN A 50 13.915 3.248 -3.729 1.00 21.23 C ATOM 804 O GLN A 50 13.458 3.078 -2.597 1.00 1.40 O ATOM 805 CB GLN A 50 12.368 3.953 -5.563 1.00 52.35 C ATOM 806 CG GLN A 50 11.420 3.543 -6.679 1.00 62.50 C ATOM 807 CD GLN A 50 12.149 3.078 -7.924 1.00 3.04 C ATOM 808 OE1 GLN A 50 13.357 3.276 -8.060 1.00 40.41 O ATOM 809 NE2 GLN A 50 11.419 2.454 -8.840 1.00 24.52 N ATOM 0 H GLN A 50 11.259 1.963 -4.549 1.00 4.20 H new ATOM 0 HA GLN A 50 13.861 2.414 -5.696 1.00 2.11 H new ATOM 0 HB2 GLN A 50 11.797 4.443 -4.774 1.00 52.35 H new ATOM 0 HB3 GLN A 50 13.074 4.688 -5.949 1.00 52.35 H new ATOM 0 HG2 GLN A 50 10.771 2.743 -6.323 1.00 62.50 H new ATOM 0 HG3 GLN A 50 10.778 4.386 -6.933 1.00 62.50 H new ATOM 0 HE21 GLN A 50 10.421 2.311 -8.686 1.00 24.52 H new ATOM 0 HE22 GLN A 50 11.856 2.117 -9.698 1.00 24.52 H new ATOM 818 N LYS A 51 15.084 3.836 -3.954 1.00 64.12 N ATOM 819 CA LYS A 51 15.918 4.328 -2.863 1.00 41.32 C ATOM 820 C LYS A 51 15.719 5.827 -2.660 1.00 34.05 C ATOM 821 O LYS A 51 16.479 6.471 -1.937 1.00 61.12 O ATOM 822 CB LYS A 51 17.392 4.032 -3.146 1.00 43.34 C ATOM 823 CG LYS A 51 17.901 4.655 -4.435 1.00 0.44 C ATOM 824 CD LYS A 51 17.828 3.676 -5.595 1.00 54.10 C ATOM 825 CE LYS A 51 19.119 2.885 -5.738 1.00 74.14 C ATOM 826 NZ LYS A 51 18.915 1.630 -6.515 1.00 44.30 N ATOM 0 H LYS A 51 15.477 3.984 -4.884 1.00 64.12 H new ATOM 0 HA LYS A 51 15.620 3.812 -1.950 1.00 41.32 H new ATOM 0 HB2 LYS A 51 17.994 4.397 -2.314 1.00 43.34 H new ATOM 0 HB3 LYS A 51 17.535 2.952 -3.193 1.00 43.34 H new ATOM 0 HG2 LYS A 51 17.312 5.542 -4.669 1.00 0.44 H new ATOM 0 HG3 LYS A 51 18.931 4.983 -4.299 1.00 0.44 H new ATOM 0 HD2 LYS A 51 16.995 2.990 -5.442 1.00 54.10 H new ATOM 0 HD3 LYS A 51 17.628 4.219 -6.519 1.00 54.10 H new ATOM 0 HE2 LYS A 51 19.870 3.501 -6.233 1.00 74.14 H new ATOM 0 HE3 LYS A 51 19.508 2.641 -4.749 1.00 74.14 H new ATOM 0 HZ1 LYS A 51 19.817 1.118 -6.591 1.00 44.30 H new ATOM 0 HZ2 LYS A 51 18.217 1.031 -6.030 1.00 44.30 H new ATOM 0 HZ3 LYS A 51 18.568 1.864 -7.467 1.00 44.30 H new ATOM 840 N SER A 52 14.692 6.375 -3.301 1.00 52.13 N ATOM 841 CA SER A 52 14.395 7.799 -3.192 1.00 35.33 C ATOM 842 C SER A 52 13.539 8.083 -1.961 1.00 64.05 C ATOM 843 O SER A 52 14.028 8.603 -0.959 1.00 21.22 O ATOM 844 CB SER A 52 13.676 8.289 -4.450 1.00 55.12 C ATOM 845 OG SER A 52 13.253 9.633 -4.305 1.00 15.13 O ATOM 0 H SER A 52 14.052 5.855 -3.901 1.00 52.13 H new ATOM 0 HA SER A 52 15.339 8.335 -3.089 1.00 35.33 H new ATOM 0 HB2 SER A 52 14.342 8.205 -5.309 1.00 55.12 H new ATOM 0 HB3 SER A 52 12.814 7.653 -4.651 1.00 55.12 H new ATOM 0 HG SER A 52 12.798 9.923 -5.123 1.00 15.13 H new ATOM 851 N ALA A 53 12.259 7.736 -2.046 1.00 22.24 N ATOM 852 CA ALA A 53 11.335 7.951 -0.939 1.00 12.11 C ATOM 853 C ALA A 53 11.582 6.950 0.185 1.00 1.24 C ATOM 854 O ALA A 53 11.895 5.786 -0.065 1.00 51.20 O ATOM 855 CB ALA A 53 9.897 7.857 -1.425 1.00 72.34 C ATOM 0 H ALA A 53 11.838 7.305 -2.869 1.00 22.24 H new ATOM 0 HA ALA A 53 11.508 8.952 -0.544 1.00 12.11 H new ATOM 0 HB1 ALA A 53 9.219 8.020 -0.588 1.00 72.34 H new ATOM 0 HB2 ALA A 53 9.720 8.615 -2.188 1.00 72.34 H new ATOM 0 HB3 ALA A 53 9.720 6.868 -1.849 1.00 72.34 H new ATOM 861 N SER A 54 11.440 7.411 1.424 1.00 73.13 N ATOM 862 CA SER A 54 11.652 6.556 2.586 1.00 40.43 C ATOM 863 C SER A 54 10.470 5.613 2.789 1.00 5.45 C ATOM 864 O SER A 54 9.364 5.876 2.319 1.00 33.21 O ATOM 865 CB SER A 54 11.861 7.408 3.840 1.00 4.11 C ATOM 866 OG SER A 54 12.868 8.383 3.632 1.00 64.14 O ATOM 0 H SER A 54 11.179 8.371 1.649 1.00 73.13 H new ATOM 0 HA SER A 54 12.545 5.957 2.409 1.00 40.43 H new ATOM 0 HB2 SER A 54 10.926 7.898 4.110 1.00 4.11 H new ATOM 0 HB3 SER A 54 12.138 6.767 4.677 1.00 4.11 H new ATOM 0 HG SER A 54 12.981 8.915 4.447 1.00 64.14 H new ATOM 872 N VAL A 55 10.714 4.513 3.495 1.00 11.40 N ATOM 873 CA VAL A 55 9.671 3.530 3.762 1.00 32.42 C ATOM 874 C VAL A 55 8.430 4.191 4.351 1.00 52.32 C ATOM 875 O VAL A 55 7.327 4.090 3.812 1.00 61.54 O ATOM 876 CB VAL A 55 10.164 2.438 4.730 1.00 22.25 C ATOM 877 CG1 VAL A 55 9.012 1.909 5.571 1.00 60.11 C ATOM 878 CG2 VAL A 55 10.836 1.310 3.962 1.00 62.31 C ATOM 0 H VAL A 55 11.624 4.281 3.892 1.00 11.40 H new ATOM 0 HA VAL A 55 9.417 3.072 2.806 1.00 32.42 H new ATOM 0 HB VAL A 55 10.900 2.879 5.402 1.00 22.25 H new ATOM 0 HG11 VAL A 55 9.380 1.139 6.249 1.00 60.11 H new ATOM 0 HG12 VAL A 55 8.580 2.725 6.150 1.00 60.11 H new ATOM 0 HG13 VAL A 55 8.250 1.484 4.918 1.00 60.11 H new ATOM 0 HG21 VAL A 55 11.178 0.547 4.661 1.00 62.31 H new ATOM 0 HG22 VAL A 55 10.123 0.870 3.265 1.00 62.31 H new ATOM 0 HG23 VAL A 55 11.689 1.704 3.409 1.00 62.31 H new ATOM 888 N PRO A 56 8.611 4.888 5.482 1.00 31.52 N ATOM 889 CA PRO A 56 7.517 5.582 6.168 1.00 31.14 C ATOM 890 C PRO A 56 7.019 6.793 5.388 1.00 74.04 C ATOM 891 O PRO A 56 5.896 7.258 5.593 1.00 74.45 O ATOM 892 CB PRO A 56 8.149 6.021 7.491 1.00 43.01 C ATOM 893 CG PRO A 56 9.607 6.118 7.200 1.00 72.01 C ATOM 894 CD PRO A 56 9.897 5.052 6.180 1.00 70.40 C ATOM 0 HA PRO A 56 6.642 4.943 6.289 1.00 31.14 H new ATOM 0 HB2 PRO A 56 7.747 6.978 7.823 1.00 43.01 H new ATOM 0 HB3 PRO A 56 7.951 5.299 8.283 1.00 43.01 H new ATOM 0 HG2 PRO A 56 9.864 7.105 6.816 1.00 72.01 H new ATOM 0 HG3 PRO A 56 10.197 5.964 8.104 1.00 72.01 H new ATOM 0 HD2 PRO A 56 10.690 5.356 5.496 1.00 70.40 H new ATOM 0 HD3 PRO A 56 10.220 4.123 6.650 1.00 70.40 H new ATOM 902 N LEU A 57 7.859 7.300 4.493 1.00 74.50 N ATOM 903 CA LEU A 57 7.503 8.458 3.680 1.00 3.40 C ATOM 904 C LEU A 57 6.529 8.069 2.573 1.00 63.41 C ATOM 905 O LEU A 57 5.803 8.912 2.046 1.00 64.14 O ATOM 906 CB LEU A 57 8.759 9.084 3.072 1.00 71.23 C ATOM 907 CG LEU A 57 9.509 10.081 3.958 1.00 71.41 C ATOM 908 CD1 LEU A 57 10.764 10.577 3.257 1.00 11.12 C ATOM 909 CD2 LEU A 57 8.606 11.247 4.330 1.00 64.02 C ATOM 0 H LEU A 57 8.791 6.928 4.312 1.00 74.50 H new ATOM 0 HA LEU A 57 7.016 9.188 4.326 1.00 3.40 H new ATOM 0 HB2 LEU A 57 9.445 8.282 2.800 1.00 71.23 H new ATOM 0 HB3 LEU A 57 8.478 9.589 2.148 1.00 71.23 H new ATOM 0 HG LEU A 57 9.807 9.572 4.875 1.00 71.41 H new ATOM 0 HD11 LEU A 57 11.285 11.285 3.901 1.00 11.12 H new ATOM 0 HD12 LEU A 57 11.419 9.732 3.042 1.00 11.12 H new ATOM 0 HD13 LEU A 57 10.489 11.070 2.324 1.00 11.12 H new ATOM 0 HD21 LEU A 57 9.156 11.946 4.960 1.00 64.02 H new ATOM 0 HD22 LEU A 57 8.277 11.756 3.424 1.00 64.02 H new ATOM 0 HD23 LEU A 57 7.737 10.875 4.873 1.00 64.02 H new ATOM 921 N ILE A 58 6.517 6.785 2.228 1.00 14.21 N ATOM 922 CA ILE A 58 5.629 6.283 1.186 1.00 0.23 C ATOM 923 C ILE A 58 4.378 5.651 1.787 1.00 10.15 C ATOM 924 O ILE A 58 3.276 5.801 1.257 1.00 64.32 O ATOM 925 CB ILE A 58 6.337 5.246 0.295 1.00 31.21 C ATOM 926 CG1 ILE A 58 7.627 5.833 -0.282 1.00 34.24 C ATOM 927 CG2 ILE A 58 5.411 4.788 -0.823 1.00 0.51 C ATOM 928 CD1 ILE A 58 8.617 4.784 -0.736 1.00 43.50 C ATOM 0 H ILE A 58 7.112 6.074 2.654 1.00 14.21 H new ATOM 0 HA ILE A 58 5.343 7.140 0.576 1.00 0.23 H new ATOM 0 HB ILE A 58 6.595 4.380 0.905 1.00 31.21 H new ATOM 0 HG12 ILE A 58 7.378 6.476 -1.126 1.00 34.24 H new ATOM 0 HG13 ILE A 58 8.098 6.464 0.471 1.00 34.24 H new ATOM 0 HG21 ILE A 58 5.926 4.055 -1.444 1.00 0.51 H new ATOM 0 HG22 ILE A 58 4.517 4.336 -0.393 1.00 0.51 H new ATOM 0 HG23 ILE A 58 5.126 5.645 -1.433 1.00 0.51 H new ATOM 0 HD11 ILE A 58 9.507 5.272 -1.134 1.00 43.50 H new ATOM 0 HD12 ILE A 58 8.895 4.156 0.110 1.00 43.50 H new ATOM 0 HD13 ILE A 58 8.164 4.168 -1.512 1.00 43.50 H new ATOM 940 N LEU A 59 4.555 4.944 2.899 1.00 50.12 N ATOM 941 CA LEU A 59 3.440 4.290 3.575 1.00 3.11 C ATOM 942 C LEU A 59 2.389 5.309 4.004 1.00 71.21 C ATOM 943 O LEU A 59 1.230 5.229 3.595 1.00 24.34 O ATOM 944 CB LEU A 59 3.942 3.515 4.795 1.00 61.12 C ATOM 945 CG LEU A 59 4.635 2.183 4.505 1.00 63.23 C ATOM 946 CD1 LEU A 59 5.196 1.584 5.784 1.00 64.34 C ATOM 947 CD2 LEU A 59 3.669 1.213 3.838 1.00 61.04 C ATOM 0 H LEU A 59 5.460 4.809 3.351 1.00 50.12 H new ATOM 0 HA LEU A 59 2.980 3.594 2.873 1.00 3.11 H new ATOM 0 HB2 LEU A 59 4.636 4.151 5.344 1.00 61.12 H new ATOM 0 HB3 LEU A 59 3.095 3.325 5.454 1.00 61.12 H new ATOM 0 HG LEU A 59 5.463 2.368 3.821 1.00 63.23 H new ATOM 0 HD11 LEU A 59 5.685 0.637 5.558 1.00 64.34 H new ATOM 0 HD12 LEU A 59 5.920 2.272 6.221 1.00 64.34 H new ATOM 0 HD13 LEU A 59 4.385 1.414 6.492 1.00 64.34 H new ATOM 0 HD21 LEU A 59 4.179 0.271 3.639 1.00 61.04 H new ATOM 0 HD22 LEU A 59 2.820 1.034 4.498 1.00 61.04 H new ATOM 0 HD23 LEU A 59 3.315 1.639 2.899 1.00 61.04 H new ATOM 959 N SER A 60 2.802 6.268 4.826 1.00 23.01 N ATOM 960 CA SER A 60 1.897 7.302 5.311 1.00 35.55 C ATOM 961 C SER A 60 1.265 8.061 4.148 1.00 64.21 C ATOM 962 O SER A 60 0.083 8.403 4.183 1.00 42.44 O ATOM 963 CB SER A 60 2.642 8.276 6.226 1.00 31.41 C ATOM 964 OG SER A 60 2.907 7.689 7.488 1.00 30.33 O ATOM 0 H SER A 60 3.759 6.350 5.170 1.00 23.01 H new ATOM 0 HA SER A 60 1.104 6.817 5.879 1.00 35.55 H new ATOM 0 HB2 SER A 60 3.579 8.576 5.757 1.00 31.41 H new ATOM 0 HB3 SER A 60 2.049 9.181 6.360 1.00 31.41 H new ATOM 0 HG SER A 60 3.385 8.331 8.053 1.00 30.33 H new ATOM 970 N ARG A 61 2.064 8.321 3.118 1.00 54.32 N ATOM 971 CA ARG A 61 1.586 9.041 1.943 1.00 61.12 C ATOM 972 C ARG A 61 0.520 8.234 1.208 1.00 35.53 C ATOM 973 O ARG A 61 -0.552 8.748 0.886 1.00 4.35 O ATOM 974 CB ARG A 61 2.749 9.349 0.999 1.00 41.02 C ATOM 975 CG ARG A 61 2.514 10.566 0.119 1.00 75.34 C ATOM 976 CD ARG A 61 3.348 11.753 0.575 1.00 60.40 C ATOM 977 NE ARG A 61 3.182 12.908 -0.303 1.00 34.35 N ATOM 978 CZ ARG A 61 3.523 14.145 0.038 1.00 25.11 C ATOM 979 NH1 ARG A 61 4.049 14.386 1.232 1.00 20.32 N ATOM 980 NH2 ARG A 61 3.342 15.144 -0.815 1.00 55.44 N ATOM 0 H ARG A 61 3.045 8.044 3.073 1.00 54.32 H new ATOM 0 HA ARG A 61 1.141 9.978 2.278 1.00 61.12 H new ATOM 0 HB2 ARG A 61 3.652 9.506 1.588 1.00 41.02 H new ATOM 0 HB3 ARG A 61 2.930 8.482 0.364 1.00 41.02 H new ATOM 0 HG2 ARG A 61 2.761 10.322 -0.914 1.00 75.34 H new ATOM 0 HG3 ARG A 61 1.457 10.833 0.140 1.00 75.34 H new ATOM 0 HD2 ARG A 61 3.064 12.026 1.591 1.00 60.40 H new ATOM 0 HD3 ARG A 61 4.400 11.468 0.604 1.00 60.40 H new ATOM 0 HE ARG A 61 2.782 12.756 -1.229 1.00 34.35 H new ATOM 0 HH11 ARG A 61 4.192 13.620 1.890 1.00 20.32 H new ATOM 0 HH12 ARG A 61 4.310 15.337 1.492 1.00 20.32 H new ATOM 0 HH21 ARG A 61 2.940 14.963 -1.735 1.00 55.44 H new ATOM 0 HH22 ARG A 61 3.605 16.094 -0.551 1.00 55.44 H new ATOM 994 N MET A 62 0.821 6.966 0.944 1.00 53.22 N ATOM 995 CA MET A 62 -0.112 6.088 0.247 1.00 41.21 C ATOM 996 C MET A 62 -1.477 6.096 0.928 1.00 71.14 C ATOM 997 O MET A 62 -2.502 6.299 0.280 1.00 15.21 O ATOM 998 CB MET A 62 0.438 4.662 0.197 1.00 43.23 C ATOM 999 CG MET A 62 -0.408 3.714 -0.638 1.00 25.41 C ATOM 1000 SD MET A 62 -0.030 1.980 -0.316 1.00 63.21 S ATOM 1001 CE MET A 62 -0.511 1.842 1.403 1.00 12.14 C ATOM 0 H MET A 62 1.703 6.524 1.202 1.00 53.22 H new ATOM 0 HA MET A 62 -0.231 6.459 -0.771 1.00 41.21 H new ATOM 0 HB2 MET A 62 1.450 4.685 -0.208 1.00 43.23 H new ATOM 0 HB3 MET A 62 0.510 4.273 1.213 1.00 43.23 H new ATOM 0 HG2 MET A 62 -1.463 3.896 -0.431 1.00 25.41 H new ATOM 0 HG3 MET A 62 -0.249 3.926 -1.695 1.00 25.41 H new ATOM 0 HE1 MET A 62 0.380 1.738 2.023 1.00 12.14 H new ATOM 0 HE2 MET A 62 -1.058 2.737 1.701 1.00 12.14 H new ATOM 0 HE3 MET A 62 -1.148 0.967 1.533 1.00 12.14 H new ATOM 1011 N ASN A 63 -1.481 5.873 2.238 1.00 54.15 N ATOM 1012 CA ASN A 63 -2.721 5.853 3.006 1.00 53.24 C ATOM 1013 C ASN A 63 -3.527 7.127 2.770 1.00 21.44 C ATOM 1014 O ASN A 63 -4.749 7.083 2.627 1.00 52.30 O ATOM 1015 CB ASN A 63 -2.419 5.695 4.497 1.00 13.25 C ATOM 1016 CG ASN A 63 -1.462 4.552 4.776 1.00 51.10 C ATOM 1017 OD1 ASN A 63 -1.565 3.482 4.177 1.00 62.44 O ATOM 1018 ND2 ASN A 63 -0.524 4.776 5.690 1.00 73.44 N ATOM 0 H ASN A 63 -0.640 5.704 2.790 1.00 54.15 H new ATOM 0 HA ASN A 63 -3.314 5.002 2.671 1.00 53.24 H new ATOM 0 HB2 ASN A 63 -1.993 6.623 4.879 1.00 13.25 H new ATOM 0 HB3 ASN A 63 -3.350 5.525 5.037 1.00 13.25 H new ATOM 0 HD21 ASN A 63 0.149 4.045 5.920 1.00 73.44 H new ATOM 0 HD22 ASN A 63 -0.477 5.679 6.161 1.00 73.44 H new ATOM 1025 N LEU A 64 -2.835 8.260 2.731 1.00 3.32 N ATOM 1026 CA LEU A 64 -3.485 9.547 2.513 1.00 21.33 C ATOM 1027 C LEU A 64 -4.134 9.602 1.134 1.00 43.13 C ATOM 1028 O LEU A 64 -5.070 10.369 0.907 1.00 32.24 O ATOM 1029 CB LEU A 64 -2.472 10.684 2.658 1.00 43.52 C ATOM 1030 CG LEU A 64 -1.795 10.811 4.023 1.00 31.35 C ATOM 1031 CD1 LEU A 64 -0.392 11.377 3.873 1.00 0.33 C ATOM 1032 CD2 LEU A 64 -2.628 11.682 4.952 1.00 73.32 C ATOM 0 H LEU A 64 -1.823 8.313 2.848 1.00 3.32 H new ATOM 0 HA LEU A 64 -4.264 9.665 3.266 1.00 21.33 H new ATOM 0 HB2 LEU A 64 -1.698 10.552 1.902 1.00 43.52 H new ATOM 0 HB3 LEU A 64 -2.977 11.624 2.437 1.00 43.52 H new ATOM 0 HG LEU A 64 -1.717 9.817 4.463 1.00 31.35 H new ATOM 0 HD11 LEU A 64 0.074 11.460 4.855 1.00 0.33 H new ATOM 0 HD12 LEU A 64 0.202 10.714 3.244 1.00 0.33 H new ATOM 0 HD13 LEU A 64 -0.445 12.363 3.412 1.00 0.33 H new ATOM 0 HD21 LEU A 64 -2.131 11.761 5.919 1.00 73.32 H new ATOM 0 HD22 LEU A 64 -2.738 12.676 4.518 1.00 73.32 H new ATOM 0 HD23 LEU A 64 -3.612 11.234 5.086 1.00 73.32 H new ATOM 1044 N ASP A 65 -3.633 8.782 0.217 1.00 44.30 N ATOM 1045 CA ASP A 65 -4.165 8.735 -1.140 1.00 53.31 C ATOM 1046 C ASP A 65 -5.282 7.701 -1.249 1.00 34.13 C ATOM 1047 O ASP A 65 -6.302 7.941 -1.898 1.00 4.10 O ATOM 1048 CB ASP A 65 -3.053 8.408 -2.137 1.00 64.01 C ATOM 1049 CG ASP A 65 -3.137 9.249 -3.396 1.00 1.25 C ATOM 1050 OD1 ASP A 65 -4.130 9.106 -4.140 1.00 32.33 O ATOM 1051 OD2 ASP A 65 -2.212 10.053 -3.635 1.00 71.22 O ATOM 0 H ASP A 65 -2.859 8.140 0.389 1.00 44.30 H new ATOM 0 HA ASP A 65 -4.576 9.716 -1.376 1.00 53.31 H new ATOM 0 HB2 ASP A 65 -2.085 8.567 -1.662 1.00 64.01 H new ATOM 0 HB3 ASP A 65 -3.108 7.353 -2.404 1.00 64.01 H new ATOM 1056 N ILE A 66 -5.082 6.553 -0.612 1.00 13.15 N ATOM 1057 CA ILE A 66 -6.073 5.483 -0.637 1.00 11.13 C ATOM 1058 C ILE A 66 -7.380 5.929 0.010 1.00 4.22 C ATOM 1059 O ILE A 66 -8.439 5.895 -0.617 1.00 23.41 O ATOM 1060 CB ILE A 66 -5.560 4.223 0.084 1.00 42.22 C ATOM 1061 CG1 ILE A 66 -4.290 3.704 -0.593 1.00 64.42 C ATOM 1062 CG2 ILE A 66 -6.635 3.148 0.101 1.00 20.24 C ATOM 1063 CD1 ILE A 66 -3.628 2.569 0.156 1.00 64.42 C ATOM 0 H ILE A 66 -4.243 6.339 -0.072 1.00 13.15 H new ATOM 0 HA ILE A 66 -6.252 5.244 -1.685 1.00 11.13 H new ATOM 0 HB ILE A 66 -5.319 4.484 1.115 1.00 42.22 H new ATOM 0 HG12 ILE A 66 -4.536 3.369 -1.601 1.00 64.42 H new ATOM 0 HG13 ILE A 66 -3.580 4.525 -0.694 1.00 64.42 H new ATOM 0 HG21 ILE A 66 -6.257 2.264 0.614 1.00 20.24 H new ATOM 0 HG22 ILE A 66 -7.515 3.522 0.623 1.00 20.24 H new ATOM 0 HG23 ILE A 66 -6.904 2.886 -0.922 1.00 20.24 H new ATOM 0 HD11 ILE A 66 -2.734 2.251 -0.381 1.00 64.42 H new ATOM 0 HD12 ILE A 66 -3.351 2.905 1.155 1.00 64.42 H new ATOM 0 HD13 ILE A 66 -4.321 1.732 0.234 1.00 64.42 H new ATOM 1075 N SER A 67 -7.298 6.349 1.269 1.00 61.21 N ATOM 1076 CA SER A 67 -8.474 6.799 2.003 1.00 10.31 C ATOM 1077 C SER A 67 -9.227 7.868 1.217 1.00 12.32 C ATOM 1078 O SER A 67 -10.455 7.948 1.273 1.00 22.30 O ATOM 1079 CB SER A 67 -8.068 7.347 3.372 1.00 31.02 C ATOM 1080 OG SER A 67 -9.088 8.168 3.916 1.00 61.12 O ATOM 0 H SER A 67 -6.429 6.387 1.801 1.00 61.21 H new ATOM 0 HA SER A 67 -9.134 5.943 2.144 1.00 10.31 H new ATOM 0 HB2 SER A 67 -7.861 6.520 4.051 1.00 31.02 H new ATOM 0 HB3 SER A 67 -7.146 7.921 3.279 1.00 31.02 H new ATOM 0 HG SER A 67 -8.805 8.505 4.792 1.00 61.12 H new ATOM 1086 N LYS A 68 -8.483 8.690 0.485 1.00 40.20 N ATOM 1087 CA LYS A 68 -9.078 9.755 -0.313 1.00 41.34 C ATOM 1088 C LYS A 68 -9.797 9.185 -1.531 1.00 50.20 C ATOM 1089 O LYS A 68 -10.903 9.609 -1.866 1.00 0.32 O ATOM 1090 CB LYS A 68 -8.002 10.746 -0.761 1.00 42.32 C ATOM 1091 CG LYS A 68 -7.998 12.042 0.032 1.00 21.22 C ATOM 1092 CD LYS A 68 -6.850 12.947 -0.383 1.00 34.15 C ATOM 1093 CE LYS A 68 -7.192 14.413 -0.166 1.00 54.52 C ATOM 1094 NZ LYS A 68 -7.200 14.774 1.278 1.00 4.14 N ATOM 0 H LYS A 68 -7.466 8.639 0.428 1.00 40.20 H new ATOM 0 HA LYS A 68 -9.808 10.276 0.307 1.00 41.34 H new ATOM 0 HB2 LYS A 68 -7.024 10.272 -0.671 1.00 42.32 H new ATOM 0 HB3 LYS A 68 -8.149 10.976 -1.816 1.00 42.32 H new ATOM 0 HG2 LYS A 68 -8.944 12.563 -0.115 1.00 21.22 H new ATOM 0 HG3 LYS A 68 -7.920 11.818 1.096 1.00 21.22 H new ATOM 0 HD2 LYS A 68 -5.958 12.691 0.189 1.00 34.15 H new ATOM 0 HD3 LYS A 68 -6.614 12.779 -1.434 1.00 34.15 H new ATOM 0 HE2 LYS A 68 -6.469 15.036 -0.692 1.00 54.52 H new ATOM 0 HE3 LYS A 68 -8.170 14.625 -0.599 1.00 54.52 H new ATOM 0 HZ1 LYS A 68 -7.437 15.781 1.383 1.00 4.14 H new ATOM 0 HZ2 LYS A 68 -7.908 14.198 1.776 1.00 4.14 H new ATOM 0 HZ3 LYS A 68 -6.260 14.596 1.686 1.00 4.14 H new ATOM 1108 N ALA A 69 -9.163 8.220 -2.190 1.00 42.21 N ATOM 1109 CA ALA A 69 -9.744 7.590 -3.369 1.00 20.14 C ATOM 1110 C ALA A 69 -11.108 6.985 -3.051 1.00 34.13 C ATOM 1111 O ALA A 69 -11.921 6.757 -3.948 1.00 44.54 O ATOM 1112 CB ALA A 69 -8.806 6.523 -3.913 1.00 50.24 C ATOM 0 H ALA A 69 -8.247 7.858 -1.927 1.00 42.21 H new ATOM 0 HA ALA A 69 -9.884 8.358 -4.130 1.00 20.14 H new ATOM 0 HB1 ALA A 69 -9.252 6.061 -4.793 1.00 50.24 H new ATOM 0 HB2 ALA A 69 -7.855 6.980 -4.186 1.00 50.24 H new ATOM 0 HB3 ALA A 69 -8.638 5.763 -3.150 1.00 50.24 H new ATOM 1118 N ILE A 70 -11.353 6.728 -1.770 1.00 64.11 N ATOM 1119 CA ILE A 70 -12.617 6.150 -1.336 1.00 34.33 C ATOM 1120 C ILE A 70 -13.777 7.106 -1.596 1.00 13.13 C ATOM 1121 O ILE A 70 -14.606 6.869 -2.474 1.00 72.04 O ATOM 1122 CB ILE A 70 -12.589 5.792 0.162 1.00 4.22 C ATOM 1123 CG1 ILE A 70 -11.293 5.054 0.507 1.00 52.40 C ATOM 1124 CG2 ILE A 70 -13.799 4.947 0.529 1.00 52.25 C ATOM 1125 CD1 ILE A 70 -11.267 4.507 1.916 1.00 31.53 C ATOM 0 H ILE A 70 -10.692 6.911 -1.015 1.00 64.11 H new ATOM 0 HA ILE A 70 -12.762 5.239 -1.916 1.00 34.33 H new ATOM 0 HB ILE A 70 -12.627 6.715 0.741 1.00 4.22 H new ATOM 0 HG12 ILE A 70 -11.154 4.232 -0.196 1.00 52.40 H new ATOM 0 HG13 ILE A 70 -10.451 5.733 0.374 1.00 52.40 H new ATOM 0 HG21 ILE A 70 -13.764 4.703 1.591 1.00 52.25 H new ATOM 0 HG22 ILE A 70 -14.711 5.505 0.315 1.00 52.25 H new ATOM 0 HG23 ILE A 70 -13.791 4.027 -0.055 1.00 52.25 H new ATOM 0 HD11 ILE A 70 -10.320 3.997 2.091 1.00 31.53 H new ATOM 0 HD12 ILE A 70 -11.374 5.327 2.627 1.00 31.53 H new ATOM 0 HD13 ILE A 70 -12.088 3.803 2.048 1.00 31.53 H new ATOM 1137 N ARG A 71 -13.827 8.189 -0.828 1.00 0.04 N ATOM 1138 CA ARG A 71 -14.884 9.182 -0.974 1.00 41.42 C ATOM 1139 C ARG A 71 -14.861 9.798 -2.371 1.00 44.02 C ATOM 1140 O ARG A 71 -15.896 9.913 -3.026 1.00 61.23 O ATOM 1141 CB ARG A 71 -14.732 10.280 0.080 1.00 12.21 C ATOM 1142 CG ARG A 71 -13.356 10.927 0.093 1.00 35.42 C ATOM 1143 CD ARG A 71 -13.179 11.833 1.301 1.00 52.41 C ATOM 1144 NE ARG A 71 -12.044 12.740 1.142 1.00 35.20 N ATOM 1145 CZ ARG A 71 -12.055 13.797 0.338 1.00 54.11 C ATOM 1146 NH1 ARG A 71 -13.136 14.079 -0.378 1.00 22.23 N ATOM 1147 NH2 ARG A 71 -10.984 14.575 0.248 1.00 63.33 N ATOM 0 H ARG A 71 -13.147 8.401 -0.098 1.00 0.04 H new ATOM 0 HA ARG A 71 -15.841 8.680 -0.831 1.00 41.42 H new ATOM 0 HB2 ARG A 71 -15.484 11.049 -0.098 1.00 12.21 H new ATOM 0 HB3 ARG A 71 -14.935 9.858 1.064 1.00 12.21 H new ATOM 0 HG2 ARG A 71 -12.589 10.153 0.102 1.00 35.42 H new ATOM 0 HG3 ARG A 71 -13.216 11.505 -0.820 1.00 35.42 H new ATOM 0 HD2 ARG A 71 -14.088 12.414 1.455 1.00 52.41 H new ATOM 0 HD3 ARG A 71 -13.034 11.224 2.193 1.00 52.41 H new ATOM 0 HE ARG A 71 -11.197 12.551 1.678 1.00 35.20 H new ATOM 0 HH11 ARG A 71 -13.961 13.483 -0.312 1.00 22.23 H new ATOM 0 HH12 ARG A 71 -13.142 14.891 -0.995 1.00 22.23 H new ATOM 0 HH21 ARG A 71 -10.151 14.362 0.797 1.00 63.33 H new ATOM 0 HH22 ARG A 71 -10.994 15.387 -0.370 1.00 63.33 H new ATOM 1161 N ASN A 72 -13.673 10.192 -2.818 1.00 73.35 N ATOM 1162 CA ASN A 72 -13.516 10.796 -4.137 1.00 10.33 C ATOM 1163 C ASN A 72 -14.100 9.896 -5.221 1.00 73.23 C ATOM 1164 O ASN A 72 -15.184 10.158 -5.743 1.00 24.10 O ATOM 1165 CB ASN A 72 -12.037 11.065 -4.424 1.00 14.41 C ATOM 1166 CG ASN A 72 -11.583 12.415 -3.900 1.00 71.51 C ATOM 1167 OD1 ASN A 72 -11.379 13.354 -4.669 1.00 3.23 O ATOM 1168 ND2 ASN A 72 -11.424 12.517 -2.585 1.00 74.44 N ATOM 0 H ASN A 72 -12.806 10.104 -2.288 1.00 73.35 H new ATOM 0 HA ASN A 72 -14.059 11.741 -4.143 1.00 10.33 H new ATOM 0 HB2 ASN A 72 -11.433 10.280 -3.970 1.00 14.41 H new ATOM 0 HB3 ASN A 72 -11.864 11.019 -5.499 1.00 14.41 H new ATOM 0 HD21 ASN A 72 -11.121 13.400 -2.175 1.00 74.44 H new ATOM 0 HD22 ASN A 72 -11.605 11.712 -1.985 1.00 74.44 H new ATOM 1175 N ASP A 73 -13.374 8.835 -5.556 1.00 52.10 N ATOM 1176 CA ASP A 73 -13.821 7.894 -6.577 1.00 60.11 C ATOM 1177 C ASP A 73 -15.222 7.379 -6.267 1.00 13.25 C ATOM 1178 O ASP A 73 -16.131 7.485 -7.090 1.00 63.40 O ATOM 1179 CB ASP A 73 -12.844 6.722 -6.682 1.00 35.40 C ATOM 1180 CG ASP A 73 -12.891 6.050 -8.040 1.00 44.34 C ATOM 1181 OD1 ASP A 73 -13.979 6.019 -8.651 1.00 2.14 O ATOM 1182 OD2 ASP A 73 -11.837 5.555 -8.493 1.00 21.11 O ATOM 0 H ASP A 73 -12.474 8.605 -5.136 1.00 52.10 H new ATOM 0 HA ASP A 73 -13.851 8.419 -7.532 1.00 60.11 H new ATOM 0 HB2 ASP A 73 -11.832 7.078 -6.491 1.00 35.40 H new ATOM 0 HB3 ASP A 73 -13.075 5.989 -5.909 1.00 35.40 H new ATOM 1187 N GLY A 74 -15.392 6.822 -5.072 1.00 24.43 N ATOM 1188 CA GLY A 74 -16.685 6.298 -4.673 1.00 70.34 C ATOM 1189 C GLY A 74 -16.671 4.793 -4.493 1.00 22.41 C ATOM 1190 O GLY A 74 -17.707 4.137 -4.595 1.00 14.31 O ATOM 0 H GLY A 74 -14.656 6.724 -4.372 1.00 24.43 H new ATOM 0 HA2 GLY A 74 -16.992 6.769 -3.739 1.00 70.34 H new ATOM 0 HA3 GLY A 74 -17.429 6.564 -5.424 1.00 70.34 H new ATOM 1194 N VAL A 75 -15.491 4.242 -4.224 1.00 61.21 N ATOM 1195 CA VAL A 75 -15.345 2.804 -4.029 1.00 44.13 C ATOM 1196 C VAL A 75 -15.787 2.391 -2.630 1.00 55.31 C ATOM 1197 O VAL A 75 -16.328 3.199 -1.873 1.00 53.23 O ATOM 1198 CB VAL A 75 -13.889 2.353 -4.249 1.00 65.10 C ATOM 1199 CG1 VAL A 75 -13.396 2.787 -5.621 1.00 75.23 C ATOM 1200 CG2 VAL A 75 -12.990 2.903 -3.152 1.00 42.45 C ATOM 0 H VAL A 75 -14.623 4.770 -4.136 1.00 61.21 H new ATOM 0 HA VAL A 75 -15.984 2.318 -4.767 1.00 44.13 H new ATOM 0 HB VAL A 75 -13.854 1.264 -4.205 1.00 65.10 H new ATOM 0 HG11 VAL A 75 -12.365 2.459 -5.758 1.00 75.23 H new ATOM 0 HG12 VAL A 75 -14.024 2.340 -6.392 1.00 75.23 H new ATOM 0 HG13 VAL A 75 -13.445 3.873 -5.698 1.00 75.23 H new ATOM 0 HG21 VAL A 75 -11.965 2.575 -3.323 1.00 42.45 H new ATOM 0 HG22 VAL A 75 -13.029 3.992 -3.162 1.00 42.45 H new ATOM 0 HG23 VAL A 75 -13.332 2.537 -2.184 1.00 42.45 H new ATOM 1210 N THR A 76 -15.556 1.127 -2.291 1.00 31.12 N ATOM 1211 CA THR A 76 -15.930 0.605 -0.983 1.00 35.14 C ATOM 1212 C THR A 76 -14.936 -0.446 -0.504 1.00 33.42 C ATOM 1213 O THR A 76 -14.620 -1.391 -1.228 1.00 51.04 O ATOM 1214 CB THR A 76 -17.342 -0.012 -1.008 1.00 65.02 C ATOM 1215 OG1 THR A 76 -18.139 0.627 -2.012 1.00 1.24 O ATOM 1216 CG2 THR A 76 -18.018 0.126 0.348 1.00 51.34 C ATOM 0 H THR A 76 -15.111 0.445 -2.905 1.00 31.12 H new ATOM 0 HA THR A 76 -15.922 1.448 -0.292 1.00 35.14 H new ATOM 0 HB THR A 76 -17.246 -1.072 -1.242 1.00 65.02 H new ATOM 0 HG1 THR A 76 -19.034 0.228 -2.022 1.00 1.24 H new ATOM 0 HG21 THR A 76 -19.013 -0.317 0.305 1.00 51.34 H new ATOM 0 HG22 THR A 76 -17.425 -0.388 1.104 1.00 51.34 H new ATOM 0 HG23 THR A 76 -18.101 1.181 0.607 1.00 51.34 H new ATOM 1224 N LEU A 77 -14.448 -0.277 0.719 1.00 44.33 N ATOM 1225 CA LEU A 77 -13.488 -1.212 1.296 1.00 64.52 C ATOM 1226 C LEU A 77 -14.195 -2.444 1.851 1.00 73.52 C ATOM 1227 O LEU A 77 -15.327 -2.747 1.472 1.00 74.32 O ATOM 1228 CB LEU A 77 -12.682 -0.531 2.402 1.00 20.04 C ATOM 1229 CG LEU A 77 -12.428 0.966 2.223 1.00 51.21 C ATOM 1230 CD1 LEU A 77 -11.624 1.516 3.391 1.00 24.40 C ATOM 1231 CD2 LEU A 77 -11.711 1.231 0.908 1.00 40.33 C ATOM 0 H LEU A 77 -14.701 0.499 1.331 1.00 44.33 H new ATOM 0 HA LEU A 77 -12.809 -1.530 0.505 1.00 64.52 H new ATOM 0 HB2 LEU A 77 -13.203 -0.680 3.348 1.00 20.04 H new ATOM 0 HB3 LEU A 77 -11.719 -1.035 2.485 1.00 20.04 H new ATOM 0 HG LEU A 77 -13.390 1.478 2.199 1.00 51.21 H new ATOM 0 HD11 LEU A 77 -11.454 2.583 3.245 1.00 24.40 H new ATOM 0 HD12 LEU A 77 -12.176 1.360 4.318 1.00 24.40 H new ATOM 0 HD13 LEU A 77 -10.666 1.000 3.448 1.00 24.40 H new ATOM 0 HD21 LEU A 77 -11.538 2.301 0.797 1.00 40.33 H new ATOM 0 HD22 LEU A 77 -10.755 0.707 0.903 1.00 40.33 H new ATOM 0 HD23 LEU A 77 -12.325 0.875 0.081 1.00 40.33 H new ATOM 1243 N SER A 78 -13.523 -3.151 2.754 1.00 43.04 N ATOM 1244 CA SER A 78 -14.086 -4.351 3.361 1.00 53.10 C ATOM 1245 C SER A 78 -13.370 -4.688 4.665 1.00 5.22 C ATOM 1246 O SER A 78 -12.464 -3.971 5.092 1.00 13.32 O ATOM 1247 CB SER A 78 -13.989 -5.531 2.393 1.00 73.25 C ATOM 1248 OG SER A 78 -14.797 -6.613 2.826 1.00 41.33 O ATOM 0 H SER A 78 -12.587 -2.913 3.082 1.00 43.04 H new ATOM 0 HA SER A 78 -15.135 -4.158 3.583 1.00 53.10 H new ATOM 0 HB2 SER A 78 -14.301 -5.215 1.397 1.00 73.25 H new ATOM 0 HB3 SER A 78 -12.952 -5.856 2.314 1.00 73.25 H new ATOM 0 HG SER A 78 -14.719 -7.354 2.190 1.00 41.33 H new ATOM 1254 N ASP A 79 -13.780 -5.784 5.292 1.00 74.41 N ATOM 1255 CA ASP A 79 -13.177 -6.218 6.547 1.00 72.41 C ATOM 1256 C ASP A 79 -11.660 -6.295 6.423 1.00 45.33 C ATOM 1257 O ASP A 79 -10.940 -5.445 6.949 1.00 63.35 O ATOM 1258 CB ASP A 79 -13.737 -7.581 6.962 1.00 51.03 C ATOM 1259 CG ASP A 79 -13.162 -8.067 8.277 1.00 21.12 C ATOM 1260 OD1 ASP A 79 -12.071 -8.676 8.260 1.00 41.25 O ATOM 1261 OD2 ASP A 79 -13.801 -7.838 9.325 1.00 41.32 O ATOM 0 H ASP A 79 -14.528 -6.389 4.952 1.00 74.41 H new ATOM 0 HA ASP A 79 -13.424 -5.483 7.313 1.00 72.41 H new ATOM 0 HB2 ASP A 79 -14.822 -7.515 7.046 1.00 51.03 H new ATOM 0 HB3 ASP A 79 -13.521 -8.312 6.182 1.00 51.03 H new ATOM 1266 N TYR A 80 -11.179 -7.319 5.726 1.00 40.30 N ATOM 1267 CA TYR A 80 -9.745 -7.508 5.536 1.00 70.02 C ATOM 1268 C TYR A 80 -9.095 -6.237 4.999 1.00 24.43 C ATOM 1269 O TYR A 80 -7.964 -5.907 5.359 1.00 54.13 O ATOM 1270 CB TYR A 80 -9.487 -8.672 4.577 1.00 44.32 C ATOM 1271 CG TYR A 80 -9.949 -8.405 3.163 1.00 61.21 C ATOM 1272 CD1 TYR A 80 -11.292 -8.503 2.821 1.00 50.25 C ATOM 1273 CD2 TYR A 80 -9.043 -8.056 2.169 1.00 54.45 C ATOM 1274 CE1 TYR A 80 -11.720 -8.260 1.529 1.00 44.02 C ATOM 1275 CE2 TYR A 80 -9.462 -7.811 0.875 1.00 53.24 C ATOM 1276 CZ TYR A 80 -10.801 -7.914 0.560 1.00 25.40 C ATOM 1277 OH TYR A 80 -11.222 -7.672 -0.727 1.00 70.52 O ATOM 0 H TYR A 80 -11.761 -8.031 5.283 1.00 40.30 H new ATOM 0 HA TYR A 80 -9.302 -7.739 6.505 1.00 70.02 H new ATOM 0 HB2 TYR A 80 -8.420 -8.893 4.566 1.00 44.32 H new ATOM 0 HB3 TYR A 80 -9.993 -9.561 4.954 1.00 44.32 H new ATOM 0 HD1 TYR A 80 -12.014 -8.774 3.577 1.00 50.25 H new ATOM 0 HD2 TYR A 80 -7.994 -7.975 2.412 1.00 54.45 H new ATOM 0 HE1 TYR A 80 -12.768 -8.341 1.280 1.00 44.02 H new ATOM 0 HE2 TYR A 80 -8.745 -7.540 0.114 1.00 53.24 H new ATOM 0 HH TYR A 80 -10.451 -7.440 -1.285 1.00 70.52 H new ATOM 1287 N GLN A 81 -9.816 -5.529 4.137 1.00 11.22 N ATOM 1288 CA GLN A 81 -9.310 -4.294 3.550 1.00 12.24 C ATOM 1289 C GLN A 81 -9.007 -3.262 4.632 1.00 13.31 C ATOM 1290 O GLN A 81 -7.846 -2.981 4.928 1.00 62.25 O ATOM 1291 CB GLN A 81 -10.322 -3.725 2.554 1.00 2.04 C ATOM 1292 CG GLN A 81 -9.981 -4.024 1.103 1.00 0.40 C ATOM 1293 CD GLN A 81 -9.240 -2.885 0.431 1.00 15.41 C ATOM 1294 OE1 GLN A 81 -8.599 -2.069 1.094 1.00 33.32 O ATOM 1295 NE2 GLN A 81 -9.324 -2.823 -0.893 1.00 25.21 N ATOM 0 H GLN A 81 -10.753 -5.789 3.829 1.00 11.22 H new ATOM 0 HA GLN A 81 -8.384 -4.524 3.023 1.00 12.24 H new ATOM 0 HB2 GLN A 81 -11.308 -4.132 2.778 1.00 2.04 H new ATOM 0 HB3 GLN A 81 -10.384 -2.645 2.689 1.00 2.04 H new ATOM 0 HG2 GLN A 81 -9.372 -4.927 1.055 1.00 0.40 H new ATOM 0 HG3 GLN A 81 -10.899 -4.230 0.553 1.00 0.40 H new ATOM 0 HE21 GLN A 81 -9.866 -3.520 -1.403 1.00 25.21 H new ATOM 0 HE22 GLN A 81 -8.846 -2.078 -1.400 1.00 25.21 H new ATOM 1304 N SER A 82 -10.060 -2.699 5.217 1.00 64.24 N ATOM 1305 CA SER A 82 -9.906 -1.694 6.263 1.00 30.41 C ATOM 1306 C SER A 82 -8.936 -2.173 7.339 1.00 73.43 C ATOM 1307 O SER A 82 -8.179 -1.385 7.905 1.00 40.22 O ATOM 1308 CB SER A 82 -11.263 -1.372 6.892 1.00 52.30 C ATOM 1309 OG SER A 82 -11.556 -2.260 7.956 1.00 33.23 O ATOM 0 H SER A 82 -11.028 -2.921 4.985 1.00 64.24 H new ATOM 0 HA SER A 82 -9.499 -0.791 5.808 1.00 30.41 H new ATOM 0 HB2 SER A 82 -11.262 -0.346 7.260 1.00 52.30 H new ATOM 0 HB3 SER A 82 -12.043 -1.438 6.134 1.00 52.30 H new ATOM 0 HG SER A 82 -12.428 -2.032 8.342 1.00 33.23 H new ATOM 1315 N LYS A 83 -8.964 -3.473 7.615 1.00 1.35 N ATOM 1316 CA LYS A 83 -8.086 -4.060 8.621 1.00 34.44 C ATOM 1317 C LYS A 83 -6.626 -3.957 8.196 1.00 63.11 C ATOM 1318 O LYS A 83 -5.788 -3.440 8.935 1.00 4.31 O ATOM 1319 CB LYS A 83 -8.459 -5.526 8.858 1.00 41.20 C ATOM 1320 CG LYS A 83 -9.391 -5.734 10.040 1.00 41.33 C ATOM 1321 CD LYS A 83 -10.742 -5.079 9.805 1.00 10.33 C ATOM 1322 CE LYS A 83 -11.473 -4.827 11.115 1.00 40.50 C ATOM 1323 NZ LYS A 83 -11.987 -6.088 11.716 1.00 63.41 N ATOM 0 H LYS A 83 -9.585 -4.140 7.156 1.00 1.35 H new ATOM 0 HA LYS A 83 -8.214 -3.504 9.550 1.00 34.44 H new ATOM 0 HB2 LYS A 83 -8.932 -5.922 7.959 1.00 41.20 H new ATOM 0 HB3 LYS A 83 -7.548 -6.102 9.019 1.00 41.20 H new ATOM 0 HG2 LYS A 83 -9.528 -6.801 10.213 1.00 41.33 H new ATOM 0 HG3 LYS A 83 -8.937 -5.321 10.940 1.00 41.33 H new ATOM 0 HD2 LYS A 83 -10.604 -4.136 9.277 1.00 10.33 H new ATOM 0 HD3 LYS A 83 -11.351 -5.717 9.164 1.00 10.33 H new ATOM 0 HE2 LYS A 83 -10.799 -4.338 11.818 1.00 40.50 H new ATOM 0 HE3 LYS A 83 -12.304 -4.143 10.941 1.00 40.50 H new ATOM 0 HZ1 LYS A 83 -12.478 -5.873 12.607 1.00 63.41 H new ATOM 0 HZ2 LYS A 83 -12.650 -6.542 11.056 1.00 63.41 H new ATOM 0 HZ3 LYS A 83 -11.192 -6.731 11.906 1.00 63.41 H new ATOM 1337 N LYS A 84 -6.326 -4.453 7.000 1.00 12.34 N ATOM 1338 CA LYS A 84 -4.967 -4.415 6.474 1.00 25.33 C ATOM 1339 C LYS A 84 -4.448 -2.982 6.410 1.00 73.02 C ATOM 1340 O LYS A 84 -3.239 -2.750 6.372 1.00 3.42 O ATOM 1341 CB LYS A 84 -4.918 -5.050 5.082 1.00 5.34 C ATOM 1342 CG LYS A 84 -5.093 -4.051 3.952 1.00 55.02 C ATOM 1343 CD LYS A 84 -3.754 -3.538 3.448 1.00 34.30 C ATOM 1344 CE LYS A 84 -3.880 -2.145 2.850 1.00 21.40 C ATOM 1345 NZ LYS A 84 -3.011 -1.976 1.653 1.00 40.13 N ATOM 0 H LYS A 84 -7.007 -4.886 6.376 1.00 12.34 H new ATOM 0 HA LYS A 84 -4.327 -4.984 7.148 1.00 25.33 H new ATOM 0 HB2 LYS A 84 -3.964 -5.562 4.959 1.00 5.34 H new ATOM 0 HB3 LYS A 84 -5.698 -5.808 5.010 1.00 5.34 H new ATOM 0 HG2 LYS A 84 -5.636 -4.520 3.131 1.00 55.02 H new ATOM 0 HG3 LYS A 84 -5.698 -3.213 4.297 1.00 55.02 H new ATOM 0 HD2 LYS A 84 -3.038 -3.519 4.270 1.00 34.30 H new ATOM 0 HD3 LYS A 84 -3.360 -4.223 2.697 1.00 34.30 H new ATOM 0 HE2 LYS A 84 -4.918 -1.960 2.574 1.00 21.40 H new ATOM 0 HE3 LYS A 84 -3.613 -1.402 3.601 1.00 21.40 H new ATOM 0 HZ1 LYS A 84 -3.303 -1.126 1.129 1.00 40.13 H new ATOM 0 HZ2 LYS A 84 -2.021 -1.873 1.954 1.00 40.13 H new ATOM 0 HZ3 LYS A 84 -3.101 -2.810 1.038 1.00 40.13 H new ATOM 1359 N LEU A 85 -5.369 -2.024 6.397 1.00 24.34 N ATOM 1360 CA LEU A 85 -5.004 -0.613 6.339 1.00 71.42 C ATOM 1361 C LEU A 85 -4.293 -0.181 7.618 1.00 14.40 C ATOM 1362 O LEU A 85 -3.380 0.644 7.585 1.00 71.35 O ATOM 1363 CB LEU A 85 -6.250 0.247 6.119 1.00 62.54 C ATOM 1364 CG LEU A 85 -6.017 1.613 5.473 1.00 30.30 C ATOM 1365 CD1 LEU A 85 -7.197 1.995 4.593 1.00 45.21 C ATOM 1366 CD2 LEU A 85 -5.779 2.673 6.538 1.00 23.14 C ATOM 0 H LEU A 85 -6.373 -2.199 6.426 1.00 24.34 H new ATOM 0 HA LEU A 85 -4.321 -0.474 5.501 1.00 71.42 H new ATOM 0 HB2 LEU A 85 -6.948 -0.313 5.496 1.00 62.54 H new ATOM 0 HB3 LEU A 85 -6.735 0.401 7.083 1.00 62.54 H new ATOM 0 HG LEU A 85 -5.127 1.550 4.846 1.00 30.30 H new ATOM 0 HD11 LEU A 85 -7.014 2.970 4.142 1.00 45.21 H new ATOM 0 HD12 LEU A 85 -7.322 1.249 3.808 1.00 45.21 H new ATOM 0 HD13 LEU A 85 -8.103 2.040 5.198 1.00 45.21 H new ATOM 0 HD21 LEU A 85 -5.615 3.639 6.060 1.00 23.14 H new ATOM 0 HD22 LEU A 85 -6.650 2.735 7.191 1.00 23.14 H new ATOM 0 HD23 LEU A 85 -4.902 2.406 7.127 1.00 23.14 H new ATOM 1378 N LYS A 86 -4.718 -0.745 8.744 1.00 51.14 N ATOM 1379 CA LYS A 86 -4.120 -0.421 10.034 1.00 41.21 C ATOM 1380 C LYS A 86 -2.718 -1.012 10.148 1.00 13.20 C ATOM 1381 O LYS A 86 -1.987 -0.719 11.094 1.00 55.45 O ATOM 1382 CB LYS A 86 -4.999 -0.944 11.171 1.00 32.23 C ATOM 1383 CG LYS A 86 -4.780 -2.415 11.483 1.00 55.40 C ATOM 1384 CD LYS A 86 -3.848 -2.600 12.669 1.00 73.41 C ATOM 1385 CE LYS A 86 -4.624 -2.787 13.964 1.00 2.42 C ATOM 1386 NZ LYS A 86 -3.735 -3.190 15.089 1.00 14.55 N ATOM 0 H LYS A 86 -5.474 -1.428 8.789 1.00 51.14 H new ATOM 0 HA LYS A 86 -4.045 0.664 10.110 1.00 41.21 H new ATOM 0 HB2 LYS A 86 -4.804 -0.358 12.069 1.00 32.23 H new ATOM 0 HB3 LYS A 86 -6.046 -0.789 10.910 1.00 32.23 H new ATOM 0 HG2 LYS A 86 -5.738 -2.890 11.694 1.00 55.40 H new ATOM 0 HG3 LYS A 86 -4.362 -2.915 10.609 1.00 55.40 H new ATOM 0 HD2 LYS A 86 -3.208 -3.466 12.499 1.00 73.41 H new ATOM 0 HD3 LYS A 86 -3.194 -1.733 12.758 1.00 73.41 H new ATOM 0 HE2 LYS A 86 -5.134 -1.858 14.219 1.00 2.42 H new ATOM 0 HE3 LYS A 86 -5.394 -3.545 13.820 1.00 2.42 H new ATOM 0 HZ1 LYS A 86 -4.301 -3.308 15.954 1.00 14.55 H new ATOM 0 HZ2 LYS A 86 -3.267 -4.089 14.857 1.00 14.55 H new ATOM 0 HZ3 LYS A 86 -3.016 -2.455 15.243 1.00 14.55 H new ATOM 1400 N GLU A 87 -2.350 -1.842 9.178 1.00 31.32 N ATOM 1401 CA GLU A 87 -1.036 -2.473 9.171 1.00 42.51 C ATOM 1402 C GLU A 87 0.071 -1.422 9.150 1.00 42.10 C ATOM 1403 O GLU A 87 0.685 -1.131 10.178 1.00 15.23 O ATOM 1404 CB GLU A 87 -0.896 -3.400 7.961 1.00 52.53 C ATOM 1405 CG GLU A 87 -1.807 -4.614 8.017 1.00 32.30 C ATOM 1406 CD GLU A 87 -1.206 -5.759 8.809 1.00 52.51 C ATOM 1407 OE1 GLU A 87 -1.201 -5.680 10.055 1.00 23.13 O ATOM 1408 OE2 GLU A 87 -0.741 -6.734 8.182 1.00 10.41 O ATOM 0 H GLU A 87 -2.943 -2.093 8.387 1.00 31.32 H new ATOM 0 HA GLU A 87 -0.939 -3.062 10.083 1.00 42.51 H new ATOM 0 HB2 GLU A 87 -1.112 -2.835 7.054 1.00 52.53 H new ATOM 0 HB3 GLU A 87 0.139 -3.735 7.888 1.00 52.53 H new ATOM 0 HG2 GLU A 87 -2.759 -4.329 8.464 1.00 32.30 H new ATOM 0 HG3 GLU A 87 -2.019 -4.951 7.002 1.00 32.30 H new ATOM 1415 N LEU A 88 0.321 -0.857 7.975 1.00 63.45 N ATOM 1416 CA LEU A 88 1.354 0.161 7.819 1.00 61.24 C ATOM 1417 C LEU A 88 1.009 1.414 8.617 1.00 70.11 C ATOM 1418 O LEU A 88 1.828 2.323 8.751 1.00 33.04 O ATOM 1419 CB LEU A 88 1.529 0.516 6.341 1.00 3.24 C ATOM 1420 CG LEU A 88 0.242 0.635 5.523 1.00 43.34 C ATOM 1421 CD1 LEU A 88 -0.203 -0.732 5.027 1.00 52.22 C ATOM 1422 CD2 LEU A 88 -0.855 1.289 6.348 1.00 33.01 C ATOM 0 H LEU A 88 -0.178 -1.086 7.115 1.00 63.45 H new ATOM 0 HA LEU A 88 2.290 -0.245 8.202 1.00 61.24 H new ATOM 0 HB2 LEU A 88 2.066 1.462 6.276 1.00 3.24 H new ATOM 0 HB3 LEU A 88 2.161 -0.242 5.878 1.00 3.24 H new ATOM 0 HG LEU A 88 0.441 1.265 4.656 1.00 43.34 H new ATOM 0 HD11 LEU A 88 -1.120 -0.628 4.447 1.00 52.22 H new ATOM 0 HD12 LEU A 88 0.577 -1.163 4.399 1.00 52.22 H new ATOM 0 HD13 LEU A 88 -0.385 -1.387 5.879 1.00 52.22 H new ATOM 0 HD21 LEU A 88 -1.763 1.366 5.750 1.00 33.01 H new ATOM 0 HD22 LEU A 88 -1.053 0.685 7.234 1.00 33.01 H new ATOM 0 HD23 LEU A 88 -0.536 2.286 6.653 1.00 33.01 H new ATOM 1434 N THR A 89 -0.209 1.454 9.148 1.00 31.20 N ATOM 1435 CA THR A 89 -0.663 2.593 9.935 1.00 52.13 C ATOM 1436 C THR A 89 0.127 2.716 11.232 1.00 25.11 C ATOM 1437 O THR A 89 0.716 3.759 11.515 1.00 4.22 O ATOM 1438 CB THR A 89 -2.163 2.483 10.270 1.00 54.35 C ATOM 1439 OG1 THR A 89 -2.944 2.658 9.082 1.00 73.42 O ATOM 1440 CG2 THR A 89 -2.564 3.525 11.303 1.00 71.23 C ATOM 0 H THR A 89 -0.899 0.710 9.047 1.00 31.20 H new ATOM 0 HA THR A 89 -0.498 3.482 9.327 1.00 52.13 H new ATOM 0 HB THR A 89 -2.349 1.492 10.685 1.00 54.35 H new ATOM 0 HG1 THR A 89 -2.731 1.947 8.443 1.00 73.42 H new ATOM 0 HG21 THR A 89 -3.627 3.428 11.524 1.00 71.23 H new ATOM 0 HG22 THR A 89 -1.988 3.373 12.216 1.00 71.23 H new ATOM 0 HG23 THR A 89 -2.364 4.522 10.910 1.00 71.23 H new ATOM 1448 N SER A 90 0.137 1.644 12.017 1.00 64.23 N ATOM 1449 CA SER A 90 0.854 1.633 13.287 1.00 63.11 C ATOM 1450 C SER A 90 2.357 1.497 13.061 1.00 24.05 C ATOM 1451 O SER A 90 3.161 1.904 13.901 1.00 21.24 O ATOM 1452 CB SER A 90 0.354 0.487 14.169 1.00 4.33 C ATOM 1453 OG SER A 90 -0.516 0.965 15.180 1.00 33.32 O ATOM 0 H SER A 90 -0.343 0.772 11.796 1.00 64.23 H new ATOM 0 HA SER A 90 0.664 2.580 13.792 1.00 63.11 H new ATOM 0 HB2 SER A 90 -0.166 -0.249 13.555 1.00 4.33 H new ATOM 0 HB3 SER A 90 1.203 -0.022 14.626 1.00 4.33 H new ATOM 0 HG SER A 90 -0.823 0.214 15.729 1.00 33.32 H new ATOM 1459 N ILE A 91 2.729 0.923 11.922 1.00 13.34 N ATOM 1460 CA ILE A 91 4.134 0.734 11.585 1.00 3.40 C ATOM 1461 C ILE A 91 4.806 2.065 11.268 1.00 40.02 C ATOM 1462 O ILE A 91 6.018 2.212 11.423 1.00 44.53 O ATOM 1463 CB ILE A 91 4.302 -0.213 10.382 1.00 44.42 C ATOM 1464 CG1 ILE A 91 3.672 -1.573 10.685 1.00 72.51 C ATOM 1465 CG2 ILE A 91 5.775 -0.371 10.034 1.00 11.43 C ATOM 1466 CD1 ILE A 91 3.362 -2.385 9.446 1.00 4.03 C ATOM 0 H ILE A 91 2.076 0.581 11.217 1.00 13.34 H new ATOM 0 HA ILE A 91 4.611 0.287 12.457 1.00 3.40 H new ATOM 0 HB ILE A 91 3.790 0.220 9.523 1.00 44.42 H new ATOM 0 HG12 ILE A 91 4.347 -2.143 11.324 1.00 72.51 H new ATOM 0 HG13 ILE A 91 2.752 -1.421 11.249 1.00 72.51 H new ATOM 0 HG21 ILE A 91 5.878 -1.043 9.182 1.00 11.43 H new ATOM 0 HG22 ILE A 91 6.196 0.602 9.781 1.00 11.43 H new ATOM 0 HG23 ILE A 91 6.308 -0.786 10.889 1.00 11.43 H new ATOM 0 HD11 ILE A 91 2.917 -3.337 9.737 1.00 4.03 H new ATOM 0 HD12 ILE A 91 2.663 -1.835 8.816 1.00 4.03 H new ATOM 0 HD13 ILE A 91 4.282 -2.569 8.892 1.00 4.03 H new ATOM 1478 N SER A 92 4.011 3.034 10.824 1.00 71.22 N ATOM 1479 CA SER A 92 4.529 4.353 10.483 1.00 20.01 C ATOM 1480 C SER A 92 4.941 5.116 11.738 1.00 20.12 C ATOM 1481 O SER A 92 4.162 5.247 12.681 1.00 44.22 O ATOM 1482 CB SER A 92 3.479 5.152 9.708 1.00 44.00 C ATOM 1483 OG SER A 92 2.391 5.507 10.542 1.00 20.14 O ATOM 0 H SER A 92 3.005 2.930 10.692 1.00 71.22 H new ATOM 0 HA SER A 92 5.410 4.219 9.855 1.00 20.01 H new ATOM 0 HB2 SER A 92 3.934 6.053 9.296 1.00 44.00 H new ATOM 0 HB3 SER A 92 3.118 4.563 8.865 1.00 44.00 H new ATOM 0 HG SER A 92 1.912 4.698 10.817 1.00 20.14 H new