USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 467 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 25 THR OG1 : rot 130:sc= 0.279 USER MOD Set 1.2: A 71 THR OG1 : rot 174:sc= 0.219 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.627 USER MOD Single : A 29 GLN : amide:sc= -0.357 X(o=-0.36,f=-0.26) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot -170:sc= -0.238 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 157:sc= -0.0353 (180deg=-0.723) USER MOD ----------------------------------------------------------------- ATOM 183 N LEU A 13 -4.266 -6.139 -1.791 1.00 0.00 N ATOM 184 CA LEU A 13 -3.385 -6.023 -0.633 1.00 0.00 C ATOM 185 C LEU A 13 -1.969 -5.646 -1.062 1.00 0.00 C ATOM 186 O LEU A 13 -1.338 -4.782 -0.457 1.00 0.00 O ATOM 187 CB LEU A 13 -3.357 -7.364 0.117 1.00 0.00 C ATOM 188 CG LEU A 13 -4.649 -7.564 0.931 1.00 0.00 C ATOM 189 CD1 LEU A 13 -5.882 -7.198 0.094 1.00 0.00 C ATOM 190 CD2 LEU A 13 -4.753 -9.035 1.346 1.00 0.00 C ATOM 0 HA LEU A 13 -3.766 -5.238 0.020 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.240 -8.181 -0.595 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.494 -7.395 0.782 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.614 -6.918 1.808 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.783 -7.347 0.689 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.817 -6.154 -0.212 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.923 -7.833 -0.791 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.665 -9.187 1.923 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.778 -9.663 0.456 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.890 -9.303 1.955 1.00 0.00 H new ATOM 202 N ARG A 14 -1.473 -6.307 -2.104 1.00 0.00 N ATOM 203 CA ARG A 14 -0.127 -6.041 -2.603 1.00 0.00 C ATOM 204 C ARG A 14 0.128 -4.540 -2.713 1.00 0.00 C ATOM 205 O ARG A 14 1.187 -4.049 -2.318 1.00 0.00 O ATOM 206 CB ARG A 14 0.055 -6.692 -3.977 1.00 0.00 C ATOM 207 CG ARG A 14 -0.129 -8.207 -3.855 1.00 0.00 C ATOM 208 CD ARG A 14 0.041 -8.855 -5.230 1.00 0.00 C ATOM 209 NE ARG A 14 1.409 -8.678 -5.707 1.00 0.00 N ATOM 210 CZ ARG A 14 1.902 -9.438 -6.682 1.00 0.00 C ATOM 211 NH1 ARG A 14 1.161 -10.365 -7.225 1.00 0.00 N ATOM 212 NH2 ARG A 14 3.127 -9.257 -7.093 1.00 0.00 N ATOM 0 H ARG A 14 -1.980 -7.028 -2.618 1.00 0.00 H new ATOM 0 HA ARG A 14 0.588 -6.464 -1.897 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.668 -6.283 -4.683 1.00 0.00 H new ATOM 0 HB3 ARG A 14 1.047 -6.466 -4.369 1.00 0.00 H new ATOM 0 HG2 ARG A 14 0.599 -8.617 -3.156 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -1.117 -8.433 -3.455 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -0.196 -9.917 -5.171 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -0.659 -8.411 -5.938 1.00 0.00 H new ATOM 0 HE ARG A 14 1.997 -7.959 -5.286 1.00 0.00 H new ATOM 0 HH11 ARG A 14 0.204 -10.507 -6.902 1.00 0.00 H new ATOM 0 HH12 ARG A 14 1.539 -10.947 -7.972 1.00 0.00 H new ATOM 0 HH21 ARG A 14 3.706 -8.533 -6.667 1.00 0.00 H new ATOM 0 HH22 ARG A 14 3.506 -9.839 -7.840 1.00 0.00 H new ATOM 226 N ILE A 15 -0.845 -3.816 -3.256 1.00 0.00 N ATOM 227 CA ILE A 15 -0.715 -2.372 -3.418 1.00 0.00 C ATOM 228 C ILE A 15 -0.623 -1.690 -2.052 1.00 0.00 C ATOM 229 O ILE A 15 -0.233 -0.526 -1.956 1.00 0.00 O ATOM 230 CB ILE A 15 -1.920 -1.826 -4.203 1.00 0.00 C ATOM 231 CG1 ILE A 15 -1.801 -2.229 -5.679 1.00 0.00 C ATOM 232 CG2 ILE A 15 -1.964 -0.297 -4.108 1.00 0.00 C ATOM 233 CD1 ILE A 15 -1.858 -3.753 -5.820 1.00 0.00 C ATOM 0 H ILE A 15 -1.728 -4.203 -3.590 1.00 0.00 H new ATOM 0 HA ILE A 15 0.199 -2.159 -3.973 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.832 -2.243 -3.776 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.607 -1.773 -6.254 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.864 -1.854 -6.091 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.821 0.078 -4.667 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.055 0.000 -3.063 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.048 0.120 -4.526 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.772 -4.025 -6.872 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.036 -4.201 -5.262 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.806 -4.120 -5.427 1.00 0.00 H new ATOM 245 N ALA A 16 -0.993 -2.419 -0.998 1.00 0.00 N ATOM 246 CA ALA A 16 -0.957 -1.879 0.359 1.00 0.00 C ATOM 247 C ALA A 16 0.287 -2.334 1.103 1.00 0.00 C ATOM 248 O ALA A 16 0.672 -1.735 2.105 1.00 0.00 O ATOM 249 CB ALA A 16 -2.210 -2.296 1.128 1.00 0.00 C ATOM 0 H ALA A 16 -1.320 -3.383 -1.059 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.927 -0.792 0.285 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.170 -1.887 2.138 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.094 -1.915 0.617 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.260 -3.384 1.179 1.00 0.00 H new ATOM 255 N LEU A 17 0.931 -3.374 0.601 1.00 0.00 N ATOM 256 CA LEU A 17 2.153 -3.857 1.230 1.00 0.00 C ATOM 257 C LEU A 17 3.262 -2.848 0.957 1.00 0.00 C ATOM 258 O LEU A 17 4.199 -2.704 1.740 1.00 0.00 O ATOM 259 CB LEU A 17 2.528 -5.252 0.674 1.00 0.00 C ATOM 260 CG LEU A 17 2.079 -6.370 1.640 1.00 0.00 C ATOM 261 CD1 LEU A 17 2.863 -6.288 2.969 1.00 0.00 C ATOM 262 CD2 LEU A 17 0.568 -6.252 1.908 1.00 0.00 C ATOM 0 H LEU A 17 0.637 -3.894 -0.226 1.00 0.00 H new ATOM 0 HA LEU A 17 2.008 -3.959 2.305 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.060 -5.398 -0.300 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.606 -5.309 0.521 1.00 0.00 H new ATOM 0 HG LEU A 17 2.287 -7.335 1.178 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.532 -7.084 3.636 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.929 -6.401 2.770 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.682 -5.322 3.439 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.257 -7.043 2.590 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.352 -5.282 2.355 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.023 -6.348 0.969 1.00 0.00 H new ATOM 274 N ALA A 18 3.130 -2.148 -0.163 1.00 0.00 N ATOM 275 CA ALA A 18 4.104 -1.140 -0.548 1.00 0.00 C ATOM 276 C ALA A 18 4.181 -0.047 0.504 1.00 0.00 C ATOM 277 O ALA A 18 5.265 0.437 0.825 1.00 0.00 O ATOM 278 CB ALA A 18 3.714 -0.552 -1.899 1.00 0.00 C ATOM 0 H ALA A 18 2.357 -2.261 -0.819 1.00 0.00 H new ATOM 0 HA ALA A 18 5.088 -1.603 -0.628 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.443 0.204 -2.191 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.693 -1.344 -2.648 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.727 -0.096 -1.826 1.00 0.00 H new ATOM 284 N ALA A 19 3.028 0.340 1.044 1.00 0.00 N ATOM 285 CA ALA A 19 3.005 1.378 2.072 1.00 0.00 C ATOM 286 C ALA A 19 4.143 1.141 3.069 1.00 0.00 C ATOM 287 O ALA A 19 4.746 2.087 3.575 1.00 0.00 O ATOM 288 CB ALA A 19 1.658 1.387 2.796 1.00 0.00 C ATOM 0 H ALA A 19 2.115 -0.040 0.794 1.00 0.00 H new ATOM 0 HA ALA A 19 3.143 2.349 1.596 1.00 0.00 H new ATOM 0 HB1 ALA A 19 1.660 2.166 3.558 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.861 1.582 2.079 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.492 0.419 3.268 1.00 0.00 H new ATOM 294 N ARG A 20 4.442 -0.133 3.326 1.00 0.00 N ATOM 295 CA ARG A 20 5.523 -0.480 4.240 1.00 0.00 C ATOM 296 C ARG A 20 6.861 -0.043 3.651 1.00 0.00 C ATOM 297 O ARG A 20 7.736 0.446 4.365 1.00 0.00 O ATOM 298 CB ARG A 20 5.536 -1.989 4.495 1.00 0.00 C ATOM 299 CG ARG A 20 6.684 -2.339 5.444 1.00 0.00 C ATOM 300 CD ARG A 20 6.548 -3.796 5.894 1.00 0.00 C ATOM 301 NE ARG A 20 7.613 -4.141 6.828 1.00 0.00 N ATOM 302 CZ ARG A 20 7.530 -5.225 7.594 1.00 0.00 C ATOM 303 NH1 ARG A 20 6.488 -6.007 7.504 1.00 0.00 N ATOM 304 NH2 ARG A 20 8.491 -5.507 8.432 1.00 0.00 N ATOM 0 H ARG A 20 3.955 -0.931 2.918 1.00 0.00 H new ATOM 0 HA ARG A 20 5.362 0.036 5.187 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.586 -2.303 4.926 1.00 0.00 H new ATOM 0 HB3 ARG A 20 5.652 -2.526 3.554 1.00 0.00 H new ATOM 0 HG2 ARG A 20 7.641 -2.189 4.945 1.00 0.00 H new ATOM 0 HG3 ARG A 20 6.669 -1.677 6.310 1.00 0.00 H new ATOM 0 HD2 ARG A 20 5.578 -3.948 6.367 1.00 0.00 H new ATOM 0 HD3 ARG A 20 6.588 -4.456 5.028 1.00 0.00 H new ATOM 0 HE ARG A 20 8.435 -3.541 6.895 1.00 0.00 H new ATOM 0 HH11 ARG A 20 5.740 -5.786 6.847 1.00 0.00 H new ATOM 0 HH12 ARG A 20 6.422 -6.839 8.091 1.00 0.00 H new ATOM 0 HH21 ARG A 20 9.305 -4.896 8.499 1.00 0.00 H new ATOM 0 HH22 ARG A 20 8.428 -6.338 9.020 1.00 0.00 H new ATOM 318 N ALA A 21 7.007 -0.214 2.338 1.00 0.00 N ATOM 319 CA ALA A 21 8.235 0.177 1.652 1.00 0.00 C ATOM 320 C ALA A 21 8.487 1.660 1.838 1.00 0.00 C ATOM 321 O ALA A 21 9.529 2.178 1.439 1.00 0.00 O ATOM 322 CB ALA A 21 8.113 -0.101 0.154 1.00 0.00 C ATOM 0 H ALA A 21 6.294 -0.619 1.732 1.00 0.00 H new ATOM 0 HA ALA A 21 9.058 -0.400 2.075 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.035 0.195 -0.347 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.938 -1.165 -0.006 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.279 0.469 -0.255 1.00 0.00 H new ATOM 328 N LEU A 22 7.518 2.343 2.438 1.00 0.00 N ATOM 329 CA LEU A 22 7.616 3.780 2.669 1.00 0.00 C ATOM 330 C LEU A 22 7.540 4.067 4.179 1.00 0.00 C ATOM 331 O LEU A 22 6.523 3.768 4.804 1.00 0.00 O ATOM 332 CB LEU A 22 6.449 4.485 1.966 1.00 0.00 C ATOM 333 CG LEU A 22 6.224 3.908 0.553 1.00 0.00 C ATOM 334 CD1 LEU A 22 4.930 4.493 -0.030 1.00 0.00 C ATOM 335 CD2 LEU A 22 7.423 4.246 -0.361 1.00 0.00 C ATOM 0 H LEU A 22 6.652 1.922 2.775 1.00 0.00 H new ATOM 0 HA LEU A 22 8.564 4.146 2.275 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.541 4.371 2.558 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.653 5.554 1.898 1.00 0.00 H new ATOM 0 HG LEU A 22 6.136 2.823 0.615 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.766 4.089 -1.029 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.090 4.228 0.612 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.015 5.578 -0.087 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.251 3.833 -1.355 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.533 5.328 -0.432 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.333 3.816 0.058 1.00 0.00 H new ATOM 347 N PRO A 23 8.569 4.625 4.790 1.00 0.00 N ATOM 348 CA PRO A 23 8.553 4.918 6.254 1.00 0.00 C ATOM 349 C PRO A 23 7.800 6.207 6.584 1.00 0.00 C ATOM 350 O PRO A 23 8.406 7.203 6.978 1.00 0.00 O ATOM 351 CB PRO A 23 10.039 5.042 6.595 1.00 0.00 C ATOM 352 CG PRO A 23 10.661 5.601 5.355 1.00 0.00 C ATOM 353 CD PRO A 23 9.850 5.039 4.177 1.00 0.00 C ATOM 0 HA PRO A 23 8.035 4.148 6.827 1.00 0.00 H new ATOM 0 HB2 PRO A 23 10.197 5.700 7.450 1.00 0.00 H new ATOM 0 HB3 PRO A 23 10.469 4.074 6.854 1.00 0.00 H new ATOM 0 HG2 PRO A 23 10.632 6.691 5.362 1.00 0.00 H new ATOM 0 HG3 PRO A 23 11.709 5.310 5.280 1.00 0.00 H new ATOM 0 HD2 PRO A 23 9.697 5.791 3.403 1.00 0.00 H new ATOM 0 HD3 PRO A 23 10.359 4.197 3.708 1.00 0.00 H new ATOM 361 N GLY A 24 6.476 6.180 6.428 1.00 0.00 N ATOM 362 CA GLY A 24 5.653 7.354 6.721 1.00 0.00 C ATOM 363 C GLY A 24 4.457 7.440 5.778 1.00 0.00 C ATOM 364 O GLY A 24 3.316 7.580 6.217 1.00 0.00 O ATOM 0 H GLY A 24 5.954 5.366 6.103 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.303 7.308 7.752 1.00 0.00 H new ATOM 0 HA3 GLY A 24 6.257 8.257 6.629 1.00 0.00 H new ATOM 368 N THR A 25 4.728 7.369 4.480 1.00 0.00 N ATOM 369 CA THR A 25 3.670 7.452 3.480 1.00 0.00 C ATOM 370 C THR A 25 2.660 6.321 3.652 1.00 0.00 C ATOM 371 O THR A 25 3.032 5.156 3.802 1.00 0.00 O ATOM 372 CB THR A 25 4.281 7.379 2.081 1.00 0.00 C ATOM 373 OG1 THR A 25 5.446 8.193 2.029 1.00 0.00 O ATOM 374 CG2 THR A 25 3.270 7.865 1.046 1.00 0.00 C ATOM 0 H THR A 25 5.666 7.255 4.097 1.00 0.00 H new ATOM 0 HA THR A 25 3.150 8.401 3.611 1.00 0.00 H new ATOM 0 HB THR A 25 4.549 6.346 1.860 1.00 0.00 H new ATOM 0 HG1 THR A 25 6.189 7.677 1.653 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.713 7.810 0.051 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.381 7.236 1.083 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.994 8.897 1.264 1.00 0.00 H new ATOM 382 N THR A 26 1.378 6.675 3.622 1.00 0.00 N ATOM 383 CA THR A 26 0.307 5.698 3.768 1.00 0.00 C ATOM 384 C THR A 26 -0.065 5.117 2.400 1.00 0.00 C ATOM 385 O THR A 26 0.363 5.619 1.362 1.00 0.00 O ATOM 386 CB THR A 26 -0.917 6.389 4.421 1.00 0.00 C ATOM 387 OG1 THR A 26 -0.586 7.739 4.700 1.00 0.00 O ATOM 388 CG2 THR A 26 -1.296 5.695 5.729 1.00 0.00 C ATOM 0 H THR A 26 1.057 7.635 3.497 1.00 0.00 H new ATOM 0 HA THR A 26 0.638 4.877 4.404 1.00 0.00 H new ATOM 0 HB THR A 26 -1.761 6.332 3.734 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.355 8.186 5.112 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.157 6.196 6.170 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.546 4.653 5.529 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.456 5.740 6.422 1.00 0.00 H new ATOM 396 N VAL A 27 -0.851 4.049 2.417 1.00 0.00 N ATOM 397 CA VAL A 27 -1.266 3.397 1.179 1.00 0.00 C ATOM 398 C VAL A 27 -2.016 4.364 0.274 1.00 0.00 C ATOM 399 O VAL A 27 -1.633 4.586 -0.875 1.00 0.00 O ATOM 400 CB VAL A 27 -2.189 2.208 1.476 1.00 0.00 C ATOM 401 CG1 VAL A 27 -2.417 1.409 0.188 1.00 0.00 C ATOM 402 CG2 VAL A 27 -1.573 1.291 2.539 1.00 0.00 C ATOM 0 H VAL A 27 -1.213 3.617 3.267 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.360 3.054 0.679 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.137 2.590 1.854 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.073 0.563 0.396 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.880 2.051 -0.561 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.461 1.044 -0.187 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.246 0.455 2.733 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.616 0.911 2.181 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.419 1.854 3.460 1.00 0.00 H new ATOM 412 N GLY A 28 -3.108 4.909 0.794 1.00 0.00 N ATOM 413 CA GLY A 28 -3.938 5.822 0.021 1.00 0.00 C ATOM 414 C GLY A 28 -3.275 7.178 -0.195 1.00 0.00 C ATOM 415 O GLY A 28 -3.932 8.115 -0.648 1.00 0.00 O ATOM 0 H GLY A 28 -3.438 4.736 1.743 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -4.161 5.373 -0.947 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.889 5.965 0.534 1.00 0.00 H new ATOM 419 N GLN A 29 -1.981 7.301 0.122 1.00 0.00 N ATOM 420 CA GLN A 29 -1.291 8.582 -0.066 1.00 0.00 C ATOM 421 C GLN A 29 -0.484 8.571 -1.357 1.00 0.00 C ATOM 422 O GLN A 29 -0.052 9.620 -1.830 1.00 0.00 O ATOM 423 CB GLN A 29 -0.358 8.869 1.124 1.00 0.00 C ATOM 424 CG GLN A 29 -1.162 9.438 2.300 1.00 0.00 C ATOM 425 CD GLN A 29 -1.668 10.838 1.964 1.00 0.00 C ATOM 426 OE1 GLN A 29 -0.900 11.799 1.985 1.00 0.00 O ATOM 427 NE2 GLN A 29 -2.923 11.009 1.651 1.00 0.00 N ATOM 0 H GLN A 29 -1.403 6.551 0.500 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.045 9.367 -0.126 1.00 0.00 H new ATOM 0 HB2 GLN A 29 0.148 7.953 1.429 1.00 0.00 H new ATOM 0 HB3 GLN A 29 0.416 9.576 0.827 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.004 8.783 2.525 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.538 9.473 3.193 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.558 10.211 1.634 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.269 11.941 1.423 1.00 0.00 H new ATOM 436 N LEU A 30 -0.265 7.383 -1.920 1.00 0.00 N ATOM 437 CA LEU A 30 0.518 7.262 -3.153 1.00 0.00 C ATOM 438 C LEU A 30 -0.376 7.095 -4.381 1.00 0.00 C ATOM 439 O LEU A 30 0.017 7.469 -5.486 1.00 0.00 O ATOM 440 CB LEU A 30 1.467 6.063 -3.031 1.00 0.00 C ATOM 441 CG LEU A 30 2.265 5.861 -4.330 1.00 0.00 C ATOM 442 CD1 LEU A 30 3.035 7.142 -4.682 1.00 0.00 C ATOM 443 CD2 LEU A 30 3.252 4.706 -4.129 1.00 0.00 C ATOM 0 H LEU A 30 -0.613 6.499 -1.549 1.00 0.00 H new ATOM 0 HA LEU A 30 1.088 8.182 -3.286 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.153 6.220 -2.199 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.895 5.163 -2.807 1.00 0.00 H new ATOM 0 HG LEU A 30 1.580 5.629 -5.146 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.596 6.987 -5.603 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.332 7.963 -4.819 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.724 7.386 -3.874 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.824 4.553 -5.044 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.932 4.947 -3.312 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.703 3.796 -3.888 1.00 0.00 H new ATOM 455 N LEU A 31 -1.569 6.529 -4.204 1.00 0.00 N ATOM 456 CA LEU A 31 -2.479 6.323 -5.333 1.00 0.00 C ATOM 457 C LEU A 31 -3.397 7.529 -5.518 1.00 0.00 C ATOM 458 O LEU A 31 -3.593 8.009 -6.635 1.00 0.00 O ATOM 459 CB LEU A 31 -3.342 5.077 -5.088 1.00 0.00 C ATOM 460 CG LEU A 31 -2.502 3.791 -5.215 1.00 0.00 C ATOM 461 CD1 LEU A 31 -2.008 3.606 -6.663 1.00 0.00 C ATOM 462 CD2 LEU A 31 -1.303 3.851 -4.258 1.00 0.00 C ATOM 0 H LEU A 31 -1.926 6.208 -3.304 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.877 6.191 -6.232 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.788 5.128 -4.095 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.163 5.052 -5.805 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.130 2.940 -4.951 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.417 2.693 -6.732 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.865 3.535 -7.333 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.393 4.459 -6.949 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.715 2.938 -4.354 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.682 4.711 -4.507 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.660 3.946 -3.233 1.00 0.00 H new ATOM 715 N LEU A 47 -1.201 -0.216 -12.815 1.00 0.00 N ATOM 716 CA LEU A 47 -0.161 0.481 -12.063 1.00 0.00 C ATOM 717 C LEU A 47 0.997 0.846 -12.990 1.00 0.00 C ATOM 718 O LEU A 47 1.623 1.896 -12.841 1.00 0.00 O ATOM 719 CB LEU A 47 0.352 -0.418 -10.927 1.00 0.00 C ATOM 720 CG LEU A 47 -0.643 -0.436 -9.749 1.00 0.00 C ATOM 721 CD1 LEU A 47 -0.599 0.893 -8.973 1.00 0.00 C ATOM 722 CD2 LEU A 47 -2.066 -0.680 -10.268 1.00 0.00 C ATOM 0 HA LEU A 47 -0.582 1.393 -11.639 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.500 -1.432 -11.299 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.322 -0.059 -10.584 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.357 -1.243 -9.075 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.309 0.856 -8.147 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.405 1.052 -8.581 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.862 1.713 -9.641 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.762 -0.691 -9.429 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.343 0.116 -10.959 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -2.105 -1.639 -10.785 1.00 0.00 H new ATOM 734 N GLN A 48 1.269 -0.034 -13.942 1.00 0.00 N ATOM 735 CA GLN A 48 2.347 0.188 -14.897 1.00 0.00 C ATOM 736 C GLN A 48 1.979 1.305 -15.864 1.00 0.00 C ATOM 737 O GLN A 48 1.684 1.055 -17.033 1.00 0.00 O ATOM 738 CB GLN A 48 2.621 -1.095 -15.680 1.00 0.00 C ATOM 739 CG GLN A 48 2.737 -2.270 -14.706 1.00 0.00 C ATOM 740 CD GLN A 48 3.059 -3.549 -15.469 1.00 0.00 C ATOM 741 OE1 GLN A 48 3.920 -3.548 -16.350 1.00 0.00 O ATOM 742 NE2 GLN A 48 2.416 -4.648 -15.181 1.00 0.00 N ATOM 0 H GLN A 48 0.760 -0.908 -14.075 1.00 0.00 H new ATOM 0 HA GLN A 48 3.243 0.477 -14.347 1.00 0.00 H new ATOM 0 HB2 GLN A 48 1.817 -1.278 -16.393 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.541 -0.993 -16.256 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.517 -2.069 -13.972 1.00 0.00 H new ATOM 0 HG3 GLN A 48 1.804 -2.390 -14.155 1.00 0.00 H new ATOM 0 HE21 GLN A 48 1.704 -4.646 -14.451 1.00 0.00 H new ATOM 0 HE22 GLN A 48 2.626 -5.509 -15.686 1.00 0.00 H new ATOM 751 N GLY A 49 1.994 2.539 -15.370 1.00 0.00 N ATOM 752 CA GLY A 49 1.654 3.692 -16.202 1.00 0.00 C ATOM 753 C GLY A 49 2.347 4.962 -15.716 1.00 0.00 C ATOM 754 O GLY A 49 2.096 6.048 -16.239 1.00 0.00 O ATOM 0 H GLY A 49 2.236 2.767 -14.406 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.941 3.493 -17.235 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.574 3.841 -16.194 1.00 0.00 H new ATOM 758 N VAL A 50 3.223 4.829 -14.719 1.00 0.00 N ATOM 759 CA VAL A 50 3.948 5.986 -14.179 1.00 0.00 C ATOM 760 C VAL A 50 5.437 5.652 -14.025 1.00 0.00 C ATOM 761 O VAL A 50 5.851 4.517 -14.264 1.00 0.00 O ATOM 762 CB VAL A 50 3.306 6.405 -12.825 1.00 0.00 C ATOM 763 CG1 VAL A 50 4.054 5.794 -11.628 1.00 0.00 C ATOM 764 CG2 VAL A 50 3.312 7.935 -12.685 1.00 0.00 C ATOM 0 H VAL A 50 3.448 3.941 -14.271 1.00 0.00 H new ATOM 0 HA VAL A 50 3.874 6.828 -14.868 1.00 0.00 H new ATOM 0 HB VAL A 50 2.282 6.032 -12.824 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.576 6.110 -10.701 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.027 4.707 -11.699 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.090 6.132 -11.635 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.860 8.215 -11.733 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.339 8.300 -12.720 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.742 8.377 -13.502 1.00 0.00 H new ATOM 774 N SER A 51 6.234 6.640 -13.618 1.00 0.00 N ATOM 775 CA SER A 51 7.675 6.445 -13.421 1.00 0.00 C ATOM 776 C SER A 51 7.995 6.634 -11.948 1.00 0.00 C ATOM 777 O SER A 51 7.170 7.163 -11.218 1.00 0.00 O ATOM 778 CB SER A 51 8.459 7.461 -14.252 1.00 0.00 C ATOM 779 OG SER A 51 7.950 7.472 -15.579 1.00 0.00 O ATOM 0 H SER A 51 5.908 7.585 -13.417 1.00 0.00 H new ATOM 0 HA SER A 51 7.957 5.441 -13.739 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.375 8.453 -13.809 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.518 7.204 -14.258 1.00 0.00 H new ATOM 0 HG SER A 51 8.449 8.123 -16.115 1.00 0.00 H new ATOM 785 N VAL A 52 9.186 6.215 -11.515 1.00 0.00 N ATOM 786 CA VAL A 52 9.564 6.359 -10.104 1.00 0.00 C ATOM 787 C VAL A 52 9.499 7.829 -9.655 1.00 0.00 C ATOM 788 O VAL A 52 8.938 8.140 -8.605 1.00 0.00 O ATOM 789 CB VAL A 52 10.982 5.778 -9.867 1.00 0.00 C ATOM 790 CG1 VAL A 52 11.671 6.474 -8.676 1.00 0.00 C ATOM 791 CG2 VAL A 52 10.883 4.273 -9.574 1.00 0.00 C ATOM 0 H VAL A 52 9.895 5.781 -12.107 1.00 0.00 H new ATOM 0 HA VAL A 52 8.849 5.797 -9.503 1.00 0.00 H new ATOM 0 HB VAL A 52 11.573 5.948 -10.767 1.00 0.00 H new ATOM 0 HG11 VAL A 52 12.664 6.048 -8.531 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.760 7.541 -8.880 1.00 0.00 H new ATOM 0 HG13 VAL A 52 11.077 6.325 -7.774 1.00 0.00 H new ATOM 0 HG21 VAL A 52 11.881 3.868 -9.408 1.00 0.00 H new ATOM 0 HG22 VAL A 52 10.275 4.115 -8.683 1.00 0.00 H new ATOM 0 HG23 VAL A 52 10.423 3.767 -10.422 1.00 0.00 H new ATOM 801 N THR A 53 10.101 8.720 -10.431 1.00 0.00 N ATOM 802 CA THR A 53 10.124 10.137 -10.074 1.00 0.00 C ATOM 803 C THR A 53 8.718 10.671 -9.800 1.00 0.00 C ATOM 804 O THR A 53 8.558 11.661 -9.099 1.00 0.00 O ATOM 805 CB THR A 53 10.776 10.944 -11.207 1.00 0.00 C ATOM 806 OG1 THR A 53 12.185 10.773 -11.154 1.00 0.00 O ATOM 807 CG2 THR A 53 10.434 12.433 -11.058 1.00 0.00 C ATOM 0 H THR A 53 10.577 8.493 -11.304 1.00 0.00 H new ATOM 0 HA THR A 53 10.707 10.245 -9.159 1.00 0.00 H new ATOM 0 HB THR A 53 10.397 10.588 -12.165 1.00 0.00 H new ATOM 0 HG1 THR A 53 12.604 11.285 -11.877 1.00 0.00 H new ATOM 0 HG21 THR A 53 10.901 12.996 -11.866 1.00 0.00 H new ATOM 0 HG22 THR A 53 9.353 12.564 -11.102 1.00 0.00 H new ATOM 0 HG23 THR A 53 10.805 12.797 -10.100 1.00 0.00 H new ATOM 815 N ASP A 54 7.711 10.038 -10.367 1.00 0.00 N ATOM 816 CA ASP A 54 6.343 10.495 -10.176 1.00 0.00 C ATOM 817 C ASP A 54 5.834 10.155 -8.777 1.00 0.00 C ATOM 818 O ASP A 54 4.991 10.862 -8.225 1.00 0.00 O ATOM 819 CB ASP A 54 5.435 9.847 -11.219 1.00 0.00 C ATOM 820 CG ASP A 54 4.100 10.583 -11.280 1.00 0.00 C ATOM 821 OD1 ASP A 54 3.695 11.121 -10.263 1.00 0.00 O ATOM 822 OD2 ASP A 54 3.503 10.597 -12.344 1.00 0.00 O ATOM 0 H ASP A 54 7.809 9.213 -10.959 1.00 0.00 H new ATOM 0 HA ASP A 54 6.329 11.579 -10.291 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.917 9.870 -12.196 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.270 8.799 -10.969 1.00 0.00 H new ATOM 827 N LEU A 55 6.320 9.050 -8.228 1.00 0.00 N ATOM 828 CA LEU A 55 5.878 8.596 -6.907 1.00 0.00 C ATOM 829 C LEU A 55 6.296 9.558 -5.794 1.00 0.00 C ATOM 830 O LEU A 55 5.446 10.103 -5.096 1.00 0.00 O ATOM 831 CB LEU A 55 6.451 7.204 -6.591 1.00 0.00 C ATOM 832 CG LEU A 55 5.808 6.130 -7.488 1.00 0.00 C ATOM 833 CD1 LEU A 55 6.071 6.455 -8.956 1.00 0.00 C ATOM 834 CD2 LEU A 55 6.430 4.769 -7.153 1.00 0.00 C ATOM 0 H LEU A 55 7.017 8.451 -8.670 1.00 0.00 H new ATOM 0 HA LEU A 55 4.789 8.557 -6.943 1.00 0.00 H new ATOM 0 HB2 LEU A 55 7.531 7.208 -6.739 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.274 6.962 -5.543 1.00 0.00 H new ATOM 0 HG LEU A 55 4.732 6.105 -7.314 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.614 5.692 -9.585 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.642 7.428 -9.196 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.146 6.478 -9.137 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.982 4.000 -7.782 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.504 4.806 -7.333 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.246 4.533 -6.105 1.00 0.00 H new ATOM 846 N LYS A 56 7.604 9.736 -5.609 1.00 0.00 N ATOM 847 CA LYS A 56 8.105 10.606 -4.539 1.00 0.00 C ATOM 848 C LYS A 56 7.543 12.023 -4.607 1.00 0.00 C ATOM 849 O LYS A 56 7.258 12.631 -3.576 1.00 0.00 O ATOM 850 CB LYS A 56 9.625 10.692 -4.608 1.00 0.00 C ATOM 851 CG LYS A 56 10.143 11.495 -3.412 1.00 0.00 C ATOM 852 CD LYS A 56 11.667 11.331 -3.261 1.00 0.00 C ATOM 853 CE LYS A 56 12.352 11.398 -4.630 1.00 0.00 C ATOM 854 NZ LYS A 56 13.821 11.562 -4.448 1.00 0.00 N ATOM 0 H LYS A 56 8.329 9.297 -6.176 1.00 0.00 H new ATOM 0 HA LYS A 56 7.776 10.157 -3.602 1.00 0.00 H new ATOM 0 HB2 LYS A 56 10.058 9.692 -4.603 1.00 0.00 H new ATOM 0 HB3 LYS A 56 9.932 11.167 -5.540 1.00 0.00 H new ATOM 0 HG2 LYS A 56 9.897 12.549 -3.542 1.00 0.00 H new ATOM 0 HG3 LYS A 56 9.645 11.162 -2.501 1.00 0.00 H new ATOM 0 HD2 LYS A 56 12.060 12.114 -2.612 1.00 0.00 H new ATOM 0 HD3 LYS A 56 11.890 10.378 -2.782 1.00 0.00 H new ATOM 0 HE2 LYS A 56 12.145 10.490 -5.196 1.00 0.00 H new ATOM 0 HE3 LYS A 56 11.952 12.231 -5.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 14.283 11.607 -5.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 14.010 12.441 -3.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 14.197 10.753 -3.914 1.00 0.00 H new ATOM 868 N ILE A 57 7.406 12.555 -5.811 1.00 0.00 N ATOM 869 CA ILE A 57 6.899 13.911 -5.971 1.00 0.00 C ATOM 870 C ILE A 57 5.401 13.953 -5.703 1.00 0.00 C ATOM 871 O ILE A 57 4.856 14.989 -5.339 1.00 0.00 O ATOM 872 CB ILE A 57 7.213 14.430 -7.384 1.00 0.00 C ATOM 873 CG1 ILE A 57 6.378 13.655 -8.414 1.00 0.00 C ATOM 874 CG2 ILE A 57 8.710 14.224 -7.659 1.00 0.00 C ATOM 875 CD1 ILE A 57 6.748 14.083 -9.842 1.00 0.00 C ATOM 0 H ILE A 57 7.635 12.077 -6.682 1.00 0.00 H new ATOM 0 HA ILE A 57 7.393 14.559 -5.247 1.00 0.00 H new ATOM 0 HB ILE A 57 6.967 15.489 -7.459 1.00 0.00 H new ATOM 0 HG12 ILE A 57 6.545 12.585 -8.295 1.00 0.00 H new ATOM 0 HG13 ILE A 57 5.317 13.833 -8.238 1.00 0.00 H new ATOM 0 HG21 ILE A 57 8.950 14.587 -8.658 1.00 0.00 H new ATOM 0 HG22 ILE A 57 9.294 14.775 -6.923 1.00 0.00 H new ATOM 0 HG23 ILE A 57 8.950 13.163 -7.592 1.00 0.00 H new ATOM 0 HD11 ILE A 57 6.146 13.523 -10.557 1.00 0.00 H new ATOM 0 HD12 ILE A 57 6.557 15.149 -9.963 1.00 0.00 H new ATOM 0 HD13 ILE A 57 7.804 13.881 -10.020 1.00 0.00 H new ATOM 887 N GLY A 58 4.743 12.817 -5.889 1.00 0.00 N ATOM 888 CA GLY A 58 3.305 12.732 -5.672 1.00 0.00 C ATOM 889 C GLY A 58 2.925 13.060 -4.229 1.00 0.00 C ATOM 890 O GLY A 58 1.851 13.607 -3.978 1.00 0.00 O ATOM 0 H GLY A 58 5.179 11.945 -6.188 1.00 0.00 H new ATOM 0 HA2 GLY A 58 2.795 13.420 -6.347 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.960 11.728 -5.919 1.00 0.00 H new ATOM 894 N LEU A 59 3.794 12.714 -3.278 1.00 0.00 N ATOM 895 CA LEU A 59 3.502 12.973 -1.868 1.00 0.00 C ATOM 896 C LEU A 59 3.792 14.424 -1.500 1.00 0.00 C ATOM 897 O LEU A 59 2.902 15.124 -1.016 1.00 0.00 O ATOM 898 CB LEU A 59 4.305 12.037 -0.954 1.00 0.00 C ATOM 899 CG LEU A 59 3.996 10.555 -1.258 1.00 0.00 C ATOM 900 CD1 LEU A 59 2.480 10.300 -1.215 1.00 0.00 C ATOM 901 CD2 LEU A 59 4.554 10.157 -2.639 1.00 0.00 C ATOM 0 H LEU A 59 4.691 12.261 -3.454 1.00 0.00 H new ATOM 0 HA LEU A 59 2.439 12.781 -1.720 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.371 12.223 -1.086 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.070 12.253 0.088 1.00 0.00 H new ATOM 0 HG LEU A 59 4.478 9.945 -0.494 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.281 9.250 -1.432 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.098 10.545 -0.224 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.985 10.924 -1.959 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.326 9.109 -2.835 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.096 10.778 -3.409 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.634 10.302 -2.650 1.00 0.00 H new ATOM 913 N ALA A 60 5.018 14.894 -1.726 1.00 0.00 N ATOM 914 CA ALA A 60 5.343 16.279 -1.398 1.00 0.00 C ATOM 915 C ALA A 60 4.717 17.214 -2.431 1.00 0.00 C ATOM 916 O ALA A 60 4.356 18.347 -2.113 1.00 0.00 O ATOM 917 CB ALA A 60 6.875 16.474 -1.343 1.00 0.00 C ATOM 0 H ALA A 60 5.784 14.352 -2.125 1.00 0.00 H new ATOM 0 HA ALA A 60 4.936 16.518 -0.416 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.101 17.512 -1.097 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.298 15.820 -0.580 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.308 16.228 -2.313 1.00 0.00 H new ATOM 923 N GLY A 61 4.578 16.732 -3.666 1.00 0.00 N ATOM 924 CA GLY A 61 3.976 17.549 -4.719 1.00 0.00 C ATOM 925 C GLY A 61 4.983 18.520 -5.326 1.00 0.00 C ATOM 926 O GLY A 61 4.725 19.108 -6.376 1.00 0.00 O ATOM 0 H GLY A 61 4.868 15.799 -3.958 1.00 0.00 H new ATOM 0 HA2 GLY A 61 3.579 16.901 -5.500 1.00 0.00 H new ATOM 0 HA3 GLY A 61 3.134 18.107 -4.310 1.00 0.00 H new ATOM 930 N SER A 62 6.127 18.698 -4.659 1.00 0.00 N ATOM 931 CA SER A 62 7.161 19.621 -5.143 1.00 0.00 C ATOM 932 C SER A 62 8.488 18.899 -5.369 1.00 0.00 C ATOM 933 O SER A 62 9.214 18.598 -4.421 1.00 0.00 O ATOM 934 CB SER A 62 7.355 20.755 -4.126 1.00 0.00 C ATOM 935 OG SER A 62 7.252 20.226 -2.811 1.00 0.00 O ATOM 0 H SER A 62 6.361 18.220 -3.789 1.00 0.00 H new ATOM 0 HA SER A 62 6.832 20.031 -6.098 1.00 0.00 H new ATOM 0 HB2 SER A 62 8.329 21.223 -4.267 1.00 0.00 H new ATOM 0 HB3 SER A 62 6.604 21.530 -4.279 1.00 0.00 H new ATOM 0 HG SER A 62 7.217 20.962 -2.164 1.00 0.00 H new ATOM 941 N GLU A 63 8.802 18.641 -6.636 1.00 0.00 N ATOM 942 CA GLU A 63 10.048 17.977 -6.994 1.00 0.00 C ATOM 943 C GLU A 63 11.246 18.768 -6.476 1.00 0.00 C ATOM 944 O GLU A 63 12.395 18.373 -6.673 1.00 0.00 O ATOM 945 CB GLU A 63 10.144 17.827 -8.518 1.00 0.00 C ATOM 946 CG GLU A 63 10.007 19.199 -9.200 1.00 0.00 C ATOM 947 CD GLU A 63 11.351 19.922 -9.214 1.00 0.00 C ATOM 948 OE1 GLU A 63 12.113 19.695 -10.139 1.00 0.00 O ATOM 949 OE2 GLU A 63 11.597 20.692 -8.300 1.00 0.00 O ATOM 0 H GLU A 63 8.209 18.882 -7.430 1.00 0.00 H new ATOM 0 HA GLU A 63 10.057 16.989 -6.534 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.098 17.374 -8.786 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.362 17.157 -8.874 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.645 19.071 -10.220 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.268 19.802 -8.673 1.00 0.00 H new ATOM 956 N GLU A 64 10.970 19.890 -5.810 1.00 0.00 N ATOM 957 CA GLU A 64 12.031 20.737 -5.263 1.00 0.00 C ATOM 958 C GLU A 64 12.282 20.424 -3.787 1.00 0.00 C ATOM 959 O GLU A 64 13.428 20.397 -3.341 1.00 0.00 O ATOM 960 CB GLU A 64 11.636 22.210 -5.410 1.00 0.00 C ATOM 961 CG GLU A 64 12.824 23.104 -5.041 1.00 0.00 C ATOM 962 CD GLU A 64 12.406 24.570 -5.080 1.00 0.00 C ATOM 963 OE1 GLU A 64 11.698 24.941 -6.002 1.00 0.00 O ATOM 964 OE2 GLU A 64 12.801 25.303 -4.188 1.00 0.00 O ATOM 0 H GLU A 64 10.025 20.232 -5.637 1.00 0.00 H new ATOM 0 HA GLU A 64 12.948 20.538 -5.818 1.00 0.00 H new ATOM 0 HB2 GLU A 64 11.322 22.411 -6.434 1.00 0.00 H new ATOM 0 HB3 GLU A 64 10.786 22.434 -4.766 1.00 0.00 H new ATOM 0 HG2 GLU A 64 13.187 22.847 -4.046 1.00 0.00 H new ATOM 0 HG3 GLU A 64 13.647 22.934 -5.735 1.00 0.00 H new ATOM 971 N ASP A 65 11.206 20.218 -3.025 1.00 0.00 N ATOM 972 CA ASP A 65 11.325 19.945 -1.589 1.00 0.00 C ATOM 973 C ASP A 65 11.425 18.449 -1.288 1.00 0.00 C ATOM 974 O ASP A 65 11.737 18.061 -0.162 1.00 0.00 O ATOM 975 CB ASP A 65 10.100 20.518 -0.872 1.00 0.00 C ATOM 976 CG ASP A 65 10.173 22.041 -0.859 1.00 0.00 C ATOM 977 OD1 ASP A 65 10.946 22.583 -1.631 1.00 0.00 O ATOM 978 OD2 ASP A 65 9.454 22.643 -0.079 1.00 0.00 O ATOM 0 H ASP A 65 10.248 20.234 -3.374 1.00 0.00 H new ATOM 0 HA ASP A 65 12.243 20.415 -1.236 1.00 0.00 H new ATOM 0 HB2 ASP A 65 9.189 20.193 -1.374 1.00 0.00 H new ATOM 0 HB3 ASP A 65 10.054 20.138 0.149 1.00 0.00 H new ATOM 983 N VAL A 66 11.148 17.615 -2.278 1.00 0.00 N ATOM 984 CA VAL A 66 11.203 16.173 -2.077 1.00 0.00 C ATOM 985 C VAL A 66 12.563 15.742 -1.534 1.00 0.00 C ATOM 986 O VAL A 66 12.695 14.681 -0.929 1.00 0.00 O ATOM 987 CB VAL A 66 10.919 15.445 -3.392 1.00 0.00 C ATOM 988 CG1 VAL A 66 9.429 15.596 -3.769 1.00 0.00 C ATOM 989 CG2 VAL A 66 11.796 16.030 -4.501 1.00 0.00 C ATOM 0 H VAL A 66 10.885 17.906 -3.220 1.00 0.00 H new ATOM 0 HA VAL A 66 10.441 15.909 -1.344 1.00 0.00 H new ATOM 0 HB VAL A 66 11.147 14.386 -3.271 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.236 15.075 -4.707 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.809 15.168 -2.981 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.188 16.653 -3.886 1.00 0.00 H new ATOM 0 HG21 VAL A 66 11.593 15.511 -5.438 1.00 0.00 H new ATOM 0 HG22 VAL A 66 11.574 17.091 -4.619 1.00 0.00 H new ATOM 0 HG23 VAL A 66 12.846 15.906 -4.238 1.00 0.00 H new ATOM 999 N ASP A 67 13.576 16.563 -1.747 1.00 0.00 N ATOM 1000 CA ASP A 67 14.905 16.227 -1.257 1.00 0.00 C ATOM 1001 C ASP A 67 14.871 16.021 0.256 1.00 0.00 C ATOM 1002 O ASP A 67 15.763 15.397 0.828 1.00 0.00 O ATOM 1003 CB ASP A 67 15.898 17.338 -1.599 1.00 0.00 C ATOM 1004 CG ASP A 67 17.292 16.954 -1.112 1.00 0.00 C ATOM 1005 OD1 ASP A 67 17.481 16.896 0.091 1.00 0.00 O ATOM 1006 OD2 ASP A 67 18.149 16.723 -1.950 1.00 0.00 O ATOM 0 H ASP A 67 13.510 17.450 -2.246 1.00 0.00 H new ATOM 0 HA ASP A 67 15.226 15.304 -1.740 1.00 0.00 H new ATOM 0 HB2 ASP A 67 15.913 17.506 -2.676 1.00 0.00 H new ATOM 0 HB3 ASP A 67 15.585 18.273 -1.134 1.00 0.00 H new ATOM 1011 N MET A 68 13.832 16.559 0.901 1.00 0.00 N ATOM 1012 CA MET A 68 13.681 16.442 2.355 1.00 0.00 C ATOM 1013 C MET A 68 12.549 15.483 2.727 1.00 0.00 C ATOM 1014 O MET A 68 12.336 15.198 3.906 1.00 0.00 O ATOM 1015 CB MET A 68 13.385 17.820 2.948 1.00 0.00 C ATOM 1016 CG MET A 68 14.498 18.795 2.555 1.00 0.00 C ATOM 1017 SD MET A 68 14.162 20.416 3.288 1.00 0.00 S ATOM 1018 CE MET A 68 14.870 21.425 1.962 1.00 0.00 C ATOM 0 H MET A 68 13.084 17.079 0.441 1.00 0.00 H new ATOM 0 HA MET A 68 14.612 16.045 2.759 1.00 0.00 H new ATOM 0 HB2 MET A 68 12.423 18.184 2.586 1.00 0.00 H new ATOM 0 HB3 MET A 68 13.313 17.753 4.033 1.00 0.00 H new ATOM 0 HG2 MET A 68 15.463 18.421 2.898 1.00 0.00 H new ATOM 0 HG3 MET A 68 14.557 18.879 1.470 1.00 0.00 H new ATOM 0 HE1 MET A 68 14.767 22.481 2.214 1.00 0.00 H new ATOM 0 HE2 MET A 68 15.926 21.181 1.843 1.00 0.00 H new ATOM 0 HE3 MET A 68 14.344 21.222 1.029 1.00 0.00 H new ATOM 1028 N LEU A 69 11.817 14.993 1.729 1.00 0.00 N ATOM 1029 CA LEU A 69 10.706 14.077 1.997 1.00 0.00 C ATOM 1030 C LEU A 69 11.156 12.959 2.938 1.00 0.00 C ATOM 1031 O LEU A 69 12.323 12.568 2.937 1.00 0.00 O ATOM 1032 CB LEU A 69 10.183 13.467 0.668 1.00 0.00 C ATOM 1033 CG LEU A 69 8.665 13.668 0.507 1.00 0.00 C ATOM 1034 CD1 LEU A 69 8.221 13.080 -0.838 1.00 0.00 C ATOM 1035 CD2 LEU A 69 7.899 12.971 1.643 1.00 0.00 C ATOM 0 H LEU A 69 11.967 15.209 0.743 1.00 0.00 H new ATOM 0 HA LEU A 69 9.901 14.637 2.473 1.00 0.00 H new ATOM 0 HB2 LEU A 69 10.702 13.927 -0.173 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.414 12.402 0.641 1.00 0.00 H new ATOM 0 HG LEU A 69 8.446 14.735 0.544 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.147 13.219 -0.959 1.00 0.00 H new ATOM 0 HD12 LEU A 69 8.746 13.587 -1.648 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.455 12.016 -0.865 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.829 13.126 1.509 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.116 11.903 1.626 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.209 13.389 2.601 1.00 0.00 H new ATOM 1047 N ASP A 70 10.219 12.434 3.720 1.00 0.00 N ATOM 1048 CA ASP A 70 10.534 11.347 4.634 1.00 0.00 C ATOM 1049 C ASP A 70 10.866 10.097 3.826 1.00 0.00 C ATOM 1050 O ASP A 70 11.778 9.344 4.163 1.00 0.00 O ATOM 1051 CB ASP A 70 9.341 11.076 5.558 1.00 0.00 C ATOM 1052 CG ASP A 70 9.790 10.300 6.792 1.00 0.00 C ATOM 1053 OD1 ASP A 70 9.935 9.093 6.689 1.00 0.00 O ATOM 1054 OD2 ASP A 70 9.982 10.924 7.823 1.00 0.00 O ATOM 0 H ASP A 70 9.246 12.740 3.739 1.00 0.00 H new ATOM 0 HA ASP A 70 11.392 11.622 5.247 1.00 0.00 H new ATOM 0 HB2 ASP A 70 8.885 12.019 5.860 1.00 0.00 H new ATOM 0 HB3 ASP A 70 8.579 10.510 5.022 1.00 0.00 H new ATOM 1059 N THR A 71 10.111 9.899 2.747 1.00 0.00 N ATOM 1060 CA THR A 71 10.310 8.754 1.867 1.00 0.00 C ATOM 1061 C THR A 71 11.718 8.781 1.251 1.00 0.00 C ATOM 1062 O THR A 71 12.010 9.665 0.447 1.00 0.00 O ATOM 1063 CB THR A 71 9.277 8.805 0.737 1.00 0.00 C ATOM 1064 OG1 THR A 71 7.972 8.699 1.289 1.00 0.00 O ATOM 1065 CG2 THR A 71 9.518 7.650 -0.235 1.00 0.00 C ATOM 0 H THR A 71 9.354 10.520 2.462 1.00 0.00 H new ATOM 0 HA THR A 71 10.195 7.841 2.451 1.00 0.00 H new ATOM 0 HB THR A 71 9.372 9.749 0.201 1.00 0.00 H new ATOM 0 HG1 THR A 71 7.306 8.828 0.582 1.00 0.00 H new ATOM 0 HG21 THR A 71 8.781 7.690 -1.037 1.00 0.00 H new ATOM 0 HG22 THR A 71 10.519 7.733 -0.658 1.00 0.00 H new ATOM 0 HG23 THR A 71 9.426 6.702 0.296 1.00 0.00 H new ATOM 1073 N PRO A 72 12.595 7.850 1.583 1.00 0.00 N ATOM 1074 CA PRO A 72 13.970 7.826 0.999 1.00 0.00 C ATOM 1075 C PRO A 72 13.947 7.891 -0.530 1.00 0.00 C ATOM 1076 O PRO A 72 12.927 8.210 -1.138 1.00 0.00 O ATOM 1077 CB PRO A 72 14.560 6.486 1.476 1.00 0.00 C ATOM 1078 CG PRO A 72 13.784 6.123 2.703 1.00 0.00 C ATOM 1079 CD PRO A 72 12.391 6.739 2.538 1.00 0.00 C ATOM 0 HA PRO A 72 14.557 8.688 1.316 1.00 0.00 H new ATOM 0 HB2 PRO A 72 14.462 5.718 0.708 1.00 0.00 H new ATOM 0 HB3 PRO A 72 15.623 6.582 1.698 1.00 0.00 H new ATOM 0 HG2 PRO A 72 13.718 5.041 2.814 1.00 0.00 H new ATOM 0 HG3 PRO A 72 14.273 6.506 3.598 1.00 0.00 H new ATOM 0 HD2 PRO A 72 11.677 6.011 2.154 1.00 0.00 H new ATOM 0 HD3 PRO A 72 12.000 7.099 3.490 1.00 0.00 H new ATOM 1087 N MET A 73 15.084 7.565 -1.139 1.00 0.00 N ATOM 1088 CA MET A 73 15.213 7.563 -2.596 1.00 0.00 C ATOM 1089 C MET A 73 15.222 6.133 -3.106 1.00 0.00 C ATOM 1090 O MET A 73 15.035 5.875 -4.295 1.00 0.00 O ATOM 1091 CB MET A 73 16.517 8.249 -3.000 1.00 0.00 C ATOM 1092 CG MET A 73 17.711 7.342 -2.685 1.00 0.00 C ATOM 1093 SD MET A 73 19.227 8.330 -2.655 1.00 0.00 S ATOM 1094 CE MET A 73 20.367 6.989 -2.235 1.00 0.00 C ATOM 0 H MET A 73 15.935 7.297 -0.644 1.00 0.00 H new ATOM 0 HA MET A 73 14.369 8.101 -3.029 1.00 0.00 H new ATOM 0 HB2 MET A 73 16.499 8.482 -4.065 1.00 0.00 H new ATOM 0 HB3 MET A 73 16.619 9.195 -2.468 1.00 0.00 H new ATOM 0 HG2 MET A 73 17.565 6.851 -1.723 1.00 0.00 H new ATOM 0 HG3 MET A 73 17.792 6.555 -3.435 1.00 0.00 H new ATOM 0 HE1 MET A 73 21.381 7.382 -2.164 1.00 0.00 H new ATOM 0 HE2 MET A 73 20.079 6.553 -1.278 1.00 0.00 H new ATOM 0 HE3 MET A 73 20.329 6.223 -3.009 1.00 0.00 H new ATOM 1104 N SER A 74 15.447 5.211 -2.183 1.00 0.00 N ATOM 1105 CA SER A 74 15.489 3.788 -2.504 1.00 0.00 C ATOM 1106 C SER A 74 14.137 3.142 -2.217 1.00 0.00 C ATOM 1107 O SER A 74 13.833 2.064 -2.728 1.00 0.00 O ATOM 1108 CB SER A 74 16.567 3.104 -1.665 1.00 0.00 C ATOM 1109 OG SER A 74 17.834 3.660 -1.990 1.00 0.00 O ATOM 0 H SER A 74 15.605 5.422 -1.198 1.00 0.00 H new ATOM 0 HA SER A 74 15.721 3.673 -3.563 1.00 0.00 H new ATOM 0 HB2 SER A 74 16.359 3.239 -0.604 1.00 0.00 H new ATOM 0 HB3 SER A 74 16.567 2.031 -1.856 1.00 0.00 H new ATOM 0 HG SER A 74 18.529 3.226 -1.453 1.00 0.00 H new ATOM 1115 N ALA A 75 13.326 3.807 -1.396 1.00 0.00 N ATOM 1116 CA ALA A 75 12.015 3.286 -1.056 1.00 0.00 C ATOM 1117 C ALA A 75 11.114 3.298 -2.280 1.00 0.00 C ATOM 1118 O ALA A 75 10.240 2.447 -2.426 1.00 0.00 O ATOM 1119 CB ALA A 75 11.400 4.127 0.059 1.00 0.00 C ATOM 0 H ALA A 75 13.556 4.700 -0.960 1.00 0.00 H new ATOM 0 HA ALA A 75 12.118 2.258 -0.710 1.00 0.00 H new ATOM 0 HB1 ALA A 75 10.416 3.733 0.311 1.00 0.00 H new ATOM 0 HB2 ALA A 75 12.042 4.090 0.939 1.00 0.00 H new ATOM 0 HB3 ALA A 75 11.302 5.160 -0.276 1.00 0.00 H new ATOM 1125 N LEU A 76 11.333 4.258 -3.172 1.00 0.00 N ATOM 1126 CA LEU A 76 10.520 4.318 -4.375 1.00 0.00 C ATOM 1127 C LEU A 76 10.788 3.071 -5.203 1.00 0.00 C ATOM 1128 O LEU A 76 9.864 2.379 -5.632 1.00 0.00 O ATOM 1129 CB LEU A 76 10.844 5.541 -5.234 1.00 0.00 C ATOM 1130 CG LEU A 76 10.742 6.855 -4.442 1.00 0.00 C ATOM 1131 CD1 LEU A 76 9.452 6.887 -3.623 1.00 0.00 C ATOM 1132 CD2 LEU A 76 11.948 7.044 -3.508 1.00 0.00 C ATOM 0 H LEU A 76 12.045 4.984 -3.088 1.00 0.00 H new ATOM 0 HA LEU A 76 9.476 4.386 -4.068 1.00 0.00 H new ATOM 0 HB2 LEU A 76 11.851 5.441 -5.639 1.00 0.00 H new ATOM 0 HB3 LEU A 76 10.161 5.577 -6.083 1.00 0.00 H new ATOM 0 HG LEU A 76 10.734 7.672 -5.164 1.00 0.00 H new ATOM 0 HD11 LEU A 76 9.396 7.824 -3.069 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.595 6.809 -4.291 1.00 0.00 H new ATOM 0 HD13 LEU A 76 9.444 6.051 -2.924 1.00 0.00 H new ATOM 0 HD21 LEU A 76 11.843 7.983 -2.964 1.00 0.00 H new ATOM 0 HD22 LEU A 76 11.993 6.217 -2.800 1.00 0.00 H new ATOM 0 HD23 LEU A 76 12.865 7.067 -4.097 1.00 0.00 H new ATOM 1144 N LYS A 77 12.071 2.791 -5.411 1.00 0.00 N ATOM 1145 CA LYS A 77 12.476 1.623 -6.175 1.00 0.00 C ATOM 1146 C LYS A 77 11.836 0.374 -5.576 1.00 0.00 C ATOM 1147 O LYS A 77 11.501 -0.571 -6.289 1.00 0.00 O ATOM 1148 CB LYS A 77 14.003 1.475 -6.148 1.00 0.00 C ATOM 1149 CG LYS A 77 14.659 2.536 -7.046 1.00 0.00 C ATOM 1150 CD LYS A 77 14.379 3.946 -6.494 1.00 0.00 C ATOM 1151 CE LYS A 77 15.469 4.925 -6.950 1.00 0.00 C ATOM 1152 NZ LYS A 77 15.878 4.607 -8.348 1.00 0.00 N ATOM 0 H LYS A 77 12.844 3.357 -5.061 1.00 0.00 H new ATOM 0 HA LYS A 77 12.148 1.746 -7.207 1.00 0.00 H new ATOM 0 HB2 LYS A 77 14.367 1.579 -5.126 1.00 0.00 H new ATOM 0 HB3 LYS A 77 14.284 0.478 -6.487 1.00 0.00 H new ATOM 0 HG2 LYS A 77 15.734 2.365 -7.098 1.00 0.00 H new ATOM 0 HG3 LYS A 77 14.273 2.452 -8.062 1.00 0.00 H new ATOM 0 HD2 LYS A 77 13.404 4.291 -6.838 1.00 0.00 H new ATOM 0 HD3 LYS A 77 14.340 3.916 -5.405 1.00 0.00 H new ATOM 0 HE2 LYS A 77 15.099 5.949 -6.893 1.00 0.00 H new ATOM 0 HE3 LYS A 77 16.330 4.860 -6.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 16.296 5.451 -8.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 16.579 3.839 -8.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 15.045 4.309 -8.894 1.00 0.00 H new ATOM 1166 N ASP A 78 11.673 0.382 -4.254 1.00 0.00 N ATOM 1167 CA ASP A 78 11.074 -0.746 -3.559 1.00 0.00 C ATOM 1168 C ASP A 78 9.580 -0.798 -3.852 1.00 0.00 C ATOM 1169 O ASP A 78 9.075 -1.785 -4.385 1.00 0.00 O ATOM 1170 CB ASP A 78 11.309 -0.604 -2.048 1.00 0.00 C ATOM 1171 CG ASP A 78 12.735 -1.016 -1.699 1.00 0.00 C ATOM 1172 OD1 ASP A 78 13.516 -1.212 -2.615 1.00 0.00 O ATOM 1173 OD2 ASP A 78 13.027 -1.127 -0.519 1.00 0.00 O ATOM 0 H ASP A 78 11.947 1.156 -3.649 1.00 0.00 H new ATOM 0 HA ASP A 78 11.535 -1.671 -3.907 1.00 0.00 H new ATOM 0 HB2 ASP A 78 11.134 0.427 -1.740 1.00 0.00 H new ATOM 0 HB3 ASP A 78 10.599 -1.225 -1.502 1.00 0.00 H new ATOM 1178 N ALA A 79 8.878 0.267 -3.494 1.00 0.00 N ATOM 1179 CA ALA A 79 7.440 0.336 -3.716 1.00 0.00 C ATOM 1180 C ALA A 79 7.095 0.142 -5.193 1.00 0.00 C ATOM 1181 O ALA A 79 6.406 -0.813 -5.553 1.00 0.00 O ATOM 1182 CB ALA A 79 6.916 1.690 -3.239 1.00 0.00 C ATOM 0 H ALA A 79 9.279 1.093 -3.050 1.00 0.00 H new ATOM 0 HA ALA A 79 6.968 -0.467 -3.150 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.840 1.743 -3.405 1.00 0.00 H new ATOM 0 HB2 ALA A 79 7.126 1.807 -2.176 1.00 0.00 H new ATOM 0 HB3 ALA A 79 7.408 2.487 -3.796 1.00 0.00 H new ATOM 1188 N VAL A 80 7.555 1.069 -6.039 1.00 0.00 N ATOM 1189 CA VAL A 80 7.272 1.013 -7.480 1.00 0.00 C ATOM 1190 C VAL A 80 7.230 -0.428 -7.994 1.00 0.00 C ATOM 1191 O VAL A 80 6.547 -0.731 -8.972 1.00 0.00 O ATOM 1192 CB VAL A 80 8.322 1.813 -8.256 1.00 0.00 C ATOM 1193 CG1 VAL A 80 9.579 0.965 -8.471 1.00 0.00 C ATOM 1194 CG2 VAL A 80 7.747 2.228 -9.621 1.00 0.00 C ATOM 0 H VAL A 80 8.124 1.866 -5.754 1.00 0.00 H new ATOM 0 HA VAL A 80 6.288 1.454 -7.640 1.00 0.00 H new ATOM 0 HB VAL A 80 8.585 2.701 -7.682 1.00 0.00 H new ATOM 0 HG11 VAL A 80 10.319 1.544 -9.024 1.00 0.00 H new ATOM 0 HG12 VAL A 80 9.993 0.676 -7.505 1.00 0.00 H new ATOM 0 HG13 VAL A 80 9.322 0.070 -9.038 1.00 0.00 H new ATOM 0 HG21 VAL A 80 8.495 2.797 -10.173 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.478 1.337 -10.188 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.860 2.844 -9.470 1.00 0.00 H new ATOM 1204 N ARG A 81 7.970 -1.304 -7.326 1.00 0.00 N ATOM 1205 CA ARG A 81 8.022 -2.709 -7.720 1.00 0.00 C ATOM 1206 C ARG A 81 6.756 -3.430 -7.283 1.00 0.00 C ATOM 1207 O ARG A 81 6.027 -4.001 -8.095 1.00 0.00 O ATOM 1208 CB ARG A 81 9.233 -3.388 -7.074 1.00 0.00 C ATOM 1209 CG ARG A 81 9.411 -4.797 -7.656 1.00 0.00 C ATOM 1210 CD ARG A 81 10.496 -5.546 -6.878 1.00 0.00 C ATOM 1211 NE ARG A 81 11.815 -5.066 -7.267 1.00 0.00 N ATOM 1212 CZ ARG A 81 12.327 -5.361 -8.457 1.00 0.00 C ATOM 1213 NH1 ARG A 81 11.645 -6.095 -9.293 1.00 0.00 N ATOM 1214 NH2 ARG A 81 13.508 -4.916 -8.790 1.00 0.00 N ATOM 0 H ARG A 81 8.540 -1.070 -6.513 1.00 0.00 H new ATOM 0 HA ARG A 81 8.107 -2.759 -8.806 1.00 0.00 H new ATOM 0 HB2 ARG A 81 10.131 -2.796 -7.251 1.00 0.00 H new ATOM 0 HB3 ARG A 81 9.096 -3.445 -5.994 1.00 0.00 H new ATOM 0 HG2 ARG A 81 8.470 -5.344 -7.603 1.00 0.00 H new ATOM 0 HG3 ARG A 81 9.684 -4.734 -8.709 1.00 0.00 H new ATOM 0 HD2 ARG A 81 10.350 -5.403 -5.807 1.00 0.00 H new ATOM 0 HD3 ARG A 81 10.419 -6.616 -7.071 1.00 0.00 H new ATOM 0 HE ARG A 81 12.354 -4.495 -6.616 1.00 0.00 H new ATOM 0 HH11 ARG A 81 10.721 -6.441 -9.032 1.00 0.00 H new ATOM 0 HH12 ARG A 81 12.035 -6.323 -10.207 1.00 0.00 H new ATOM 0 HH21 ARG A 81 14.039 -4.341 -8.136 1.00 0.00 H new ATOM 0 HH22 ARG A 81 13.900 -5.143 -9.704 1.00 0.00 H new ATOM 1228 N ILE A 82 6.528 -3.426 -5.982 1.00 0.00 N ATOM 1229 CA ILE A 82 5.381 -4.105 -5.408 1.00 0.00 C ATOM 1230 C ILE A 82 4.097 -3.858 -6.216 1.00 0.00 C ATOM 1231 O ILE A 82 3.335 -4.797 -6.444 1.00 0.00 O ATOM 1232 CB ILE A 82 5.214 -3.677 -3.941 1.00 0.00 C ATOM 1233 CG1 ILE A 82 6.250 -4.423 -3.084 1.00 0.00 C ATOM 1234 CG2 ILE A 82 3.805 -4.017 -3.445 1.00 0.00 C ATOM 1235 CD1 ILE A 82 6.271 -3.848 -1.669 1.00 0.00 C ATOM 0 H ILE A 82 7.125 -2.958 -5.300 1.00 0.00 H new ATOM 0 HA ILE A 82 5.563 -5.179 -5.447 1.00 0.00 H new ATOM 0 HB ILE A 82 5.364 -2.600 -3.861 1.00 0.00 H new ATOM 0 HG12 ILE A 82 6.008 -5.485 -3.050 1.00 0.00 H new ATOM 0 HG13 ILE A 82 7.238 -4.335 -3.535 1.00 0.00 H new ATOM 0 HG21 ILE A 82 3.701 -3.708 -2.405 1.00 0.00 H new ATOM 0 HG22 ILE A 82 3.069 -3.493 -4.054 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.641 -5.092 -3.523 1.00 0.00 H new ATOM 0 HD11 ILE A 82 7.008 -4.383 -1.070 1.00 0.00 H new ATOM 0 HD12 ILE A 82 6.535 -2.791 -1.710 1.00 0.00 H new ATOM 0 HD13 ILE A 82 5.286 -3.959 -1.216 1.00 0.00 H new ATOM 1247 N LEU A 83 3.841 -2.621 -6.655 1.00 0.00 N ATOM 1248 CA LEU A 83 2.617 -2.376 -7.431 1.00 0.00 C ATOM 1249 C LEU A 83 2.797 -2.885 -8.858 1.00 0.00 C ATOM 1250 O LEU A 83 1.846 -3.375 -9.467 1.00 0.00 O ATOM 1251 CB LEU A 83 2.166 -0.879 -7.472 1.00 0.00 C ATOM 1252 CG LEU A 83 2.851 -0.011 -6.403 1.00 0.00 C ATOM 1253 CD1 LEU A 83 2.922 -0.718 -5.038 1.00 0.00 C ATOM 1254 CD2 LEU A 83 4.229 0.385 -6.886 1.00 0.00 C ATOM 0 H LEU A 83 4.434 -1.806 -6.497 1.00 0.00 H new ATOM 0 HA LEU A 83 1.827 -2.921 -6.914 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.382 -0.468 -8.458 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.086 -0.828 -7.335 1.00 0.00 H new ATOM 0 HG LEU A 83 2.249 0.885 -6.253 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.414 -0.066 -4.316 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.913 -0.946 -4.693 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.489 -1.643 -5.137 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.717 1.000 -6.130 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.824 -0.511 -7.063 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.141 0.951 -7.813 1.00 0.00 H new ATOM 1266 N TRP A 84 4.012 -2.781 -9.393 1.00 0.00 N ATOM 1267 CA TRP A 84 4.261 -3.256 -10.755 1.00 0.00 C ATOM 1268 C TRP A 84 3.781 -4.703 -10.892 1.00 0.00 C ATOM 1269 O TRP A 84 3.593 -5.204 -12.000 1.00 0.00 O ATOM 1270 CB TRP A 84 5.777 -3.166 -11.067 1.00 0.00 C ATOM 1271 CG TRP A 84 6.082 -2.075 -12.054 1.00 0.00 C ATOM 1272 CD1 TRP A 84 6.997 -2.176 -13.045 1.00 0.00 C ATOM 1273 CD2 TRP A 84 5.514 -0.736 -12.159 1.00 0.00 C ATOM 1274 NE1 TRP A 84 7.029 -0.989 -13.751 1.00 0.00 N ATOM 1275 CE2 TRP A 84 6.133 -0.071 -13.246 1.00 0.00 C ATOM 1276 CE3 TRP A 84 4.533 -0.036 -11.429 1.00 0.00 C ATOM 1277 CZ2 TRP A 84 5.794 1.235 -13.595 1.00 0.00 C ATOM 1278 CZ3 TRP A 84 4.189 1.279 -11.783 1.00 0.00 C ATOM 1279 CH2 TRP A 84 4.819 1.912 -12.864 1.00 0.00 C ATOM 0 H TRP A 84 4.823 -2.382 -8.919 1.00 0.00 H new ATOM 0 HA TRP A 84 3.714 -2.633 -11.463 1.00 0.00 H new ATOM 0 HB2 TRP A 84 6.327 -2.985 -10.144 1.00 0.00 H new ATOM 0 HB3 TRP A 84 6.124 -4.121 -11.463 1.00 0.00 H new ATOM 0 HD1 TRP A 84 7.605 -3.045 -13.251 1.00 0.00 H new ATOM 0 HE1 TRP A 84 7.641 -0.813 -14.548 1.00 0.00 H new ATOM 0 HE3 TRP A 84 4.043 -0.513 -10.593 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 6.284 1.720 -14.427 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 3.434 1.806 -11.219 1.00 0.00 H new ATOM 0 HH2 TRP A 84 4.549 2.923 -13.130 1.00 0.00 H new ATOM 1290 N GLY A 85 3.599 -5.369 -9.755 1.00 0.00 N ATOM 1291 CA GLY A 85 3.157 -6.760 -9.756 1.00 0.00 C ATOM 1292 C GLY A 85 4.349 -7.696 -9.902 1.00 0.00 C ATOM 1293 O GLY A 85 4.191 -8.882 -10.187 1.00 0.00 O ATOM 0 H GLY A 85 3.749 -4.972 -8.828 1.00 0.00 H new ATOM 0 HA2 GLY A 85 2.625 -6.980 -8.830 1.00 0.00 H new ATOM 0 HA3 GLY A 85 2.455 -6.925 -10.574 1.00 0.00 H new ATOM 1297 N GLU A 86 5.546 -7.148 -9.696 1.00 0.00 N ATOM 1298 CA GLU A 86 6.779 -7.930 -9.795 1.00 0.00 C ATOM 1299 C GLU A 86 7.281 -8.268 -8.401 1.00 0.00 C ATOM 1300 O GLU A 86 8.326 -8.898 -8.239 1.00 0.00 O ATOM 1301 CB GLU A 86 7.849 -7.129 -10.544 1.00 0.00 C ATOM 1302 CG GLU A 86 7.399 -6.895 -11.988 1.00 0.00 C ATOM 1303 CD GLU A 86 7.356 -8.220 -12.744 1.00 0.00 C ATOM 1304 OE1 GLU A 86 8.055 -9.133 -12.338 1.00 0.00 O ATOM 1305 OE2 GLU A 86 6.625 -8.301 -13.716 1.00 0.00 O ATOM 0 H GLU A 86 5.689 -6.166 -9.460 1.00 0.00 H new ATOM 0 HA GLU A 86 6.574 -8.850 -10.342 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.018 -6.174 -10.046 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.797 -7.668 -10.531 1.00 0.00 H new ATOM 0 HG2 GLU A 86 6.414 -6.429 -11.999 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.083 -6.206 -12.484 1.00 0.00 H new ATOM 1312 N ALA A 87 6.519 -7.838 -7.395 1.00 0.00 N ATOM 1313 CA ALA A 87 6.874 -8.085 -6.000 1.00 0.00 C ATOM 1314 C ALA A 87 7.512 -9.468 -5.830 1.00 0.00 C ATOM 1315 O ALA A 87 8.437 -9.644 -5.038 1.00 0.00 O ATOM 1316 CB ALA A 87 5.608 -7.973 -5.129 1.00 0.00 C ATOM 0 H ALA A 87 5.652 -7.317 -7.522 1.00 0.00 H new ATOM 0 HA ALA A 87 7.605 -7.340 -5.686 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.866 -8.156 -4.086 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.186 -6.973 -5.228 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.875 -8.710 -5.456 1.00 0.00 H new ATOM 1322 N GLU A 88 7.006 -10.440 -6.583 1.00 0.00 N ATOM 1323 CA GLU A 88 7.526 -11.801 -6.512 1.00 0.00 C ATOM 1324 C GLU A 88 8.947 -11.863 -7.057 1.00 0.00 C ATOM 1325 O GLU A 88 9.188 -12.412 -8.131 1.00 0.00 O ATOM 1326 CB GLU A 88 6.626 -12.741 -7.312 1.00 0.00 C ATOM 1327 CG GLU A 88 5.257 -12.812 -6.638 1.00 0.00 C ATOM 1328 CD GLU A 88 4.265 -13.537 -7.541 1.00 0.00 C ATOM 1329 OE1 GLU A 88 3.825 -12.934 -8.507 1.00 0.00 O ATOM 1330 OE2 GLU A 88 3.959 -14.681 -7.254 1.00 0.00 O ATOM 0 H GLU A 88 6.241 -10.312 -7.245 1.00 0.00 H new ATOM 0 HA GLU A 88 7.540 -12.112 -5.467 1.00 0.00 H new ATOM 0 HB2 GLU A 88 6.523 -12.383 -8.336 1.00 0.00 H new ATOM 0 HB3 GLU A 88 7.072 -13.734 -7.365 1.00 0.00 H new ATOM 0 HG2 GLU A 88 5.339 -13.332 -5.684 1.00 0.00 H new ATOM 0 HG3 GLU A 88 4.897 -11.806 -6.423 1.00 0.00 H new