USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=11 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 Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.571 USER MOD Single : A 29 GLN : amide:sc= -0.653 K(o=-0.65,f=-3.2!) USER MOD Single : A 48 GLN :FLIP amide:sc= 0.0413 F(o=-1.2,f=0.041) 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+ 173:sc= 0.648 (180deg=0.527) USER MOD Single : A 62 SER OG : rot 180:sc= 0.00122 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot -179:sc= -0.179 USER MOD Single : A 73 MET CE :methyl -161:sc= -0.0578 (180deg=-0.914) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.327) USER MOD ----------------------------------------------------------------- ATOM 183 N LEU A 13 -4.509 -6.393 -1.235 1.00 0.00 N ATOM 184 CA LEU A 13 -3.681 -6.474 -0.031 1.00 0.00 C ATOM 185 C LEU A 13 -2.213 -6.162 -0.347 1.00 0.00 C ATOM 186 O LEU A 13 -1.539 -5.474 0.417 1.00 0.00 O ATOM 187 CB LEU A 13 -3.794 -7.882 0.627 1.00 0.00 C ATOM 188 CG LEU A 13 -4.737 -8.779 -0.183 1.00 0.00 C ATOM 189 CD1 LEU A 13 -4.584 -10.227 0.281 1.00 0.00 C ATOM 190 CD2 LEU A 13 -6.195 -8.317 0.010 1.00 0.00 C ATOM 0 HA LEU A 13 -4.050 -5.727 0.672 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.808 -8.342 0.687 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.163 -7.784 1.648 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.482 -8.710 -1.241 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.254 -10.866 -0.294 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.554 -10.551 0.129 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.834 -10.298 1.339 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.860 -8.959 -0.568 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -6.459 -8.378 1.066 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.298 -7.287 -0.331 1.00 0.00 H new ATOM 202 N ARG A 14 -1.721 -6.694 -1.462 1.00 0.00 N ATOM 203 CA ARG A 14 -0.328 -6.485 -1.844 1.00 0.00 C ATOM 204 C ARG A 14 -0.047 -5.013 -2.119 1.00 0.00 C ATOM 205 O ARG A 14 1.002 -4.494 -1.739 1.00 0.00 O ATOM 206 CB ARG A 14 0.006 -7.327 -3.084 1.00 0.00 C ATOM 207 CG ARG A 14 0.227 -8.785 -2.666 1.00 0.00 C ATOM 208 CD ARG A 14 0.494 -9.644 -3.903 1.00 0.00 C ATOM 209 NE ARG A 14 0.919 -10.980 -3.498 1.00 0.00 N ATOM 210 CZ ARG A 14 2.106 -11.181 -2.932 1.00 0.00 C ATOM 211 NH1 ARG A 14 2.924 -10.179 -2.755 1.00 0.00 N ATOM 212 NH2 ARG A 14 2.455 -12.382 -2.557 1.00 0.00 N ATOM 0 H ARG A 14 -2.260 -7.267 -2.111 1.00 0.00 H new ATOM 0 HA ARG A 14 0.304 -6.799 -1.013 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.806 -7.264 -3.809 1.00 0.00 H new ATOM 0 HB3 ARG A 14 0.900 -6.938 -3.571 1.00 0.00 H new ATOM 0 HG2 ARG A 14 1.069 -8.852 -1.977 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -0.649 -9.158 -2.135 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -0.407 -9.709 -4.513 1.00 0.00 H new ATOM 0 HD3 ARG A 14 1.263 -9.180 -4.520 1.00 0.00 H new ATOM 0 HE ARG A 14 0.296 -11.773 -3.651 1.00 0.00 H new ATOM 0 HH11 ARG A 14 2.653 -9.241 -3.051 1.00 0.00 H new ATOM 0 HH12 ARG A 14 3.834 -10.334 -2.321 1.00 0.00 H new ATOM 0 HH21 ARG A 14 1.818 -13.166 -2.698 1.00 0.00 H new ATOM 0 HH22 ARG A 14 3.365 -12.536 -2.123 1.00 0.00 H new ATOM 226 N ILE A 15 -0.979 -4.344 -2.780 1.00 0.00 N ATOM 227 CA ILE A 15 -0.800 -2.936 -3.091 1.00 0.00 C ATOM 228 C ILE A 15 -0.718 -2.113 -1.809 1.00 0.00 C ATOM 229 O ILE A 15 -0.368 -0.933 -1.839 1.00 0.00 O ATOM 230 CB ILE A 15 -1.964 -2.458 -3.964 1.00 0.00 C ATOM 231 CG1 ILE A 15 -1.868 -3.131 -5.352 1.00 0.00 C ATOM 232 CG2 ILE A 15 -1.907 -0.932 -4.120 1.00 0.00 C ATOM 233 CD1 ILE A 15 -3.258 -3.239 -5.983 1.00 0.00 C ATOM 0 H ILE A 15 -1.856 -4.748 -3.108 1.00 0.00 H new ATOM 0 HA ILE A 15 0.134 -2.804 -3.637 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.908 -2.729 -3.492 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.210 -2.552 -6.000 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.427 -4.123 -5.254 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.738 -0.599 -4.742 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.978 -0.463 -3.139 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.965 -0.649 -4.590 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.178 -3.715 -6.960 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.904 -3.837 -5.340 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.684 -2.242 -6.098 1.00 0.00 H new ATOM 245 N ALA A 16 -1.050 -2.743 -0.678 1.00 0.00 N ATOM 246 CA ALA A 16 -1.018 -2.068 0.618 1.00 0.00 C ATOM 247 C ALA A 16 0.201 -2.475 1.430 1.00 0.00 C ATOM 248 O ALA A 16 0.564 -1.800 2.390 1.00 0.00 O ATOM 249 CB ALA A 16 -2.294 -2.369 1.401 1.00 0.00 C ATOM 0 H ALA A 16 -1.344 -3.719 -0.636 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.954 -0.996 0.433 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.258 -1.861 2.365 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.158 -2.018 0.837 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.378 -3.444 1.561 1.00 0.00 H new ATOM 255 N LEU A 17 0.846 -3.561 1.039 1.00 0.00 N ATOM 256 CA LEU A 17 2.041 -4.000 1.749 1.00 0.00 C ATOM 257 C LEU A 17 3.179 -3.049 1.407 1.00 0.00 C ATOM 258 O LEU A 17 4.092 -2.834 2.205 1.00 0.00 O ATOM 259 CB LEU A 17 2.400 -5.455 1.353 1.00 0.00 C ATOM 260 CG LEU A 17 1.963 -6.459 2.443 1.00 0.00 C ATOM 261 CD1 LEU A 17 2.966 -6.429 3.614 1.00 0.00 C ATOM 262 CD2 LEU A 17 0.533 -6.135 2.943 1.00 0.00 C ATOM 0 H LEU A 17 0.572 -4.147 0.250 1.00 0.00 H new ATOM 0 HA LEU A 17 1.864 -3.986 2.824 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.917 -5.707 0.409 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.475 -5.535 1.192 1.00 0.00 H new ATOM 0 HG LEU A 17 1.951 -7.461 2.014 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.653 -7.139 4.380 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.957 -6.701 3.251 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.998 -5.426 4.040 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.244 -6.854 3.710 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.513 -5.129 3.362 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.166 -6.194 2.109 1.00 0.00 H new ATOM 274 N ALA A 18 3.105 -2.478 0.213 1.00 0.00 N ATOM 275 CA ALA A 18 4.117 -1.540 -0.242 1.00 0.00 C ATOM 276 C ALA A 18 4.219 -0.364 0.722 1.00 0.00 C ATOM 277 O ALA A 18 5.310 0.107 1.017 1.00 0.00 O ATOM 278 CB ALA A 18 3.760 -1.045 -1.644 1.00 0.00 C ATOM 0 H ALA A 18 2.355 -2.649 -0.456 1.00 0.00 H new ATOM 0 HA ALA A 18 5.083 -2.044 -0.274 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.519 -0.341 -1.986 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.716 -1.892 -2.329 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.790 -0.548 -1.618 1.00 0.00 H new ATOM 284 N ALA A 19 3.072 0.109 1.202 1.00 0.00 N ATOM 285 CA ALA A 19 3.055 1.240 2.136 1.00 0.00 C ATOM 286 C ALA A 19 4.222 1.136 3.127 1.00 0.00 C ATOM 287 O ALA A 19 4.806 2.148 3.518 1.00 0.00 O ATOM 288 CB ALA A 19 1.723 1.291 2.893 1.00 0.00 C ATOM 0 H ALA A 19 2.152 -0.264 0.966 1.00 0.00 H new ATOM 0 HA ALA A 19 3.166 2.160 1.562 1.00 0.00 H new ATOM 0 HB1 ALA A 19 1.728 2.136 3.581 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.905 1.407 2.182 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.588 0.366 3.454 1.00 0.00 H new ATOM 294 N ARG A 20 4.563 -0.092 3.520 1.00 0.00 N ATOM 295 CA ARG A 20 5.667 -0.301 4.453 1.00 0.00 C ATOM 296 C ARG A 20 6.990 0.128 3.818 1.00 0.00 C ATOM 297 O ARG A 20 7.851 0.703 4.483 1.00 0.00 O ATOM 298 CB ARG A 20 5.744 -1.774 4.857 1.00 0.00 C ATOM 299 CG ARG A 20 4.569 -2.111 5.777 1.00 0.00 C ATOM 300 CD ARG A 20 4.696 -3.556 6.269 1.00 0.00 C ATOM 301 NE ARG A 20 5.696 -3.646 7.327 1.00 0.00 N ATOM 302 CZ ARG A 20 5.457 -3.158 8.540 1.00 0.00 C ATOM 303 NH1 ARG A 20 4.315 -2.581 8.799 1.00 0.00 N ATOM 304 NH2 ARG A 20 6.364 -3.256 9.474 1.00 0.00 N ATOM 0 H ARG A 20 4.097 -0.945 3.211 1.00 0.00 H new ATOM 0 HA ARG A 20 5.487 0.305 5.341 1.00 0.00 H new ATOM 0 HB2 ARG A 20 5.719 -2.407 3.970 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.687 -1.974 5.365 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.552 -1.428 6.626 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.628 -1.980 5.243 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.733 -3.907 6.639 1.00 0.00 H new ATOM 0 HD3 ARG A 20 4.975 -4.206 5.440 1.00 0.00 H new ATOM 0 HE ARG A 20 6.593 -4.091 7.133 1.00 0.00 H new ATOM 0 HH11 ARG A 20 3.605 -2.504 8.070 1.00 0.00 H new ATOM 0 HH12 ARG A 20 4.132 -2.207 9.730 1.00 0.00 H new ATOM 0 HH21 ARG A 20 7.256 -3.707 9.273 1.00 0.00 H new ATOM 0 HH22 ARG A 20 6.180 -2.881 10.405 1.00 0.00 H new ATOM 318 N ALA A 21 7.138 -0.153 2.526 1.00 0.00 N ATOM 319 CA ALA A 21 8.352 0.208 1.797 1.00 0.00 C ATOM 320 C ALA A 21 8.616 1.696 1.899 1.00 0.00 C ATOM 321 O ALA A 21 9.636 2.189 1.420 1.00 0.00 O ATOM 322 CB ALA A 21 8.193 -0.132 0.317 1.00 0.00 C ATOM 0 H ALA A 21 6.434 -0.629 1.962 1.00 0.00 H new ATOM 0 HA ALA A 21 9.179 -0.350 2.236 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.102 0.140 -0.219 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.013 -1.201 0.207 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.350 0.422 -0.095 1.00 0.00 H new ATOM 328 N LEU A 22 7.678 2.412 2.503 1.00 0.00 N ATOM 329 CA LEU A 22 7.786 3.856 2.645 1.00 0.00 C ATOM 330 C LEU A 22 7.842 4.232 4.130 1.00 0.00 C ATOM 331 O LEU A 22 7.266 3.534 4.964 1.00 0.00 O ATOM 332 CB LEU A 22 6.554 4.502 2.001 1.00 0.00 C ATOM 333 CG LEU A 22 6.226 3.838 0.652 1.00 0.00 C ATOM 334 CD1 LEU A 22 4.894 4.396 0.139 1.00 0.00 C ATOM 335 CD2 LEU A 22 7.352 4.110 -0.374 1.00 0.00 C ATOM 0 H LEU A 22 6.829 2.013 2.904 1.00 0.00 H new ATOM 0 HA LEU A 22 8.695 4.208 2.158 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.699 4.413 2.672 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.733 5.567 1.852 1.00 0.00 H new ATOM 0 HG LEU A 22 6.146 2.759 0.787 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.650 3.933 -0.817 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.106 4.177 0.860 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.977 5.475 0.009 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.103 3.633 -1.322 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.455 5.185 -0.524 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.292 3.704 0.001 1.00 0.00 H new ATOM 347 N PRO A 23 8.507 5.307 4.485 1.00 0.00 N ATOM 348 CA PRO A 23 8.607 5.742 5.912 1.00 0.00 C ATOM 349 C PRO A 23 7.232 5.985 6.549 1.00 0.00 C ATOM 350 O PRO A 23 6.659 5.083 7.161 1.00 0.00 O ATOM 351 CB PRO A 23 9.450 7.036 5.853 1.00 0.00 C ATOM 352 CG PRO A 23 9.377 7.490 4.427 1.00 0.00 C ATOM 353 CD PRO A 23 9.240 6.222 3.591 1.00 0.00 C ATOM 0 HA PRO A 23 9.061 4.976 6.540 1.00 0.00 H new ATOM 0 HB2 PRO A 23 9.054 7.795 6.528 1.00 0.00 H new ATOM 0 HB3 PRO A 23 10.481 6.848 6.154 1.00 0.00 H new ATOM 0 HG2 PRO A 23 8.527 8.154 4.272 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.272 8.047 4.148 1.00 0.00 H new ATOM 0 HD2 PRO A 23 8.693 6.406 2.667 1.00 0.00 H new ATOM 0 HD3 PRO A 23 10.213 5.818 3.310 1.00 0.00 H new ATOM 361 N GLY A 24 6.717 7.211 6.424 1.00 0.00 N ATOM 362 CA GLY A 24 5.420 7.563 7.015 1.00 0.00 C ATOM 363 C GLY A 24 4.312 7.654 5.966 1.00 0.00 C ATOM 364 O GLY A 24 3.175 7.997 6.291 1.00 0.00 O ATOM 0 H GLY A 24 7.173 7.973 5.923 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.149 6.818 7.763 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.506 8.518 7.533 1.00 0.00 H new ATOM 368 N THR A 25 4.636 7.348 4.715 1.00 0.00 N ATOM 369 CA THR A 25 3.635 7.409 3.651 1.00 0.00 C ATOM 370 C THR A 25 2.642 6.256 3.779 1.00 0.00 C ATOM 371 O THR A 25 3.034 5.095 3.899 1.00 0.00 O ATOM 372 CB THR A 25 4.315 7.342 2.280 1.00 0.00 C ATOM 373 OG1 THR A 25 5.473 8.164 2.285 1.00 0.00 O ATOM 374 CG2 THR A 25 3.349 7.822 1.196 1.00 0.00 C ATOM 0 H THR A 25 5.567 7.060 4.413 1.00 0.00 H new ATOM 0 HA THR A 25 3.098 8.353 3.745 1.00 0.00 H new ATOM 0 HB THR A 25 4.601 6.311 2.071 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.909 8.120 1.409 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.839 7.772 0.224 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.464 7.186 1.190 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.054 8.851 1.401 1.00 0.00 H new ATOM 382 N THR A 26 1.354 6.586 3.752 1.00 0.00 N ATOM 383 CA THR A 26 0.305 5.580 3.865 1.00 0.00 C ATOM 384 C THR A 26 -0.020 4.995 2.487 1.00 0.00 C ATOM 385 O THR A 26 0.452 5.488 1.463 1.00 0.00 O ATOM 386 CB THR A 26 -0.954 6.229 4.496 1.00 0.00 C ATOM 387 OG1 THR A 26 -0.674 7.588 4.792 1.00 0.00 O ATOM 388 CG2 THR A 26 -1.336 5.512 5.791 1.00 0.00 C ATOM 0 H THR A 26 1.013 7.542 3.653 1.00 0.00 H new ATOM 0 HA THR A 26 0.646 4.766 4.504 1.00 0.00 H new ATOM 0 HB THR A 26 -1.781 6.152 3.790 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.466 8.006 5.190 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.222 5.982 6.219 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.548 4.464 5.578 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.511 5.578 6.501 1.00 0.00 H new ATOM 396 N VAL A 27 -0.818 3.937 2.482 1.00 0.00 N ATOM 397 CA VAL A 27 -1.196 3.277 1.236 1.00 0.00 C ATOM 398 C VAL A 27 -1.932 4.240 0.314 1.00 0.00 C ATOM 399 O VAL A 27 -1.534 4.449 -0.833 1.00 0.00 O ATOM 400 CB VAL A 27 -2.116 2.082 1.515 1.00 0.00 C ATOM 401 CG1 VAL A 27 -2.291 1.270 0.230 1.00 0.00 C ATOM 402 CG2 VAL A 27 -1.527 1.178 2.610 1.00 0.00 C ATOM 0 H VAL A 27 -1.216 3.517 3.322 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.278 2.937 0.757 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.080 2.459 1.858 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.944 0.419 0.423 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.734 1.900 -0.541 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.319 0.911 -0.109 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.199 0.338 2.789 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.555 0.803 2.289 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.409 1.751 3.530 1.00 0.00 H new ATOM 412 N GLY A 28 -3.027 4.797 0.815 1.00 0.00 N ATOM 413 CA GLY A 28 -3.842 5.711 0.026 1.00 0.00 C ATOM 414 C GLY A 28 -3.159 7.057 -0.191 1.00 0.00 C ATOM 415 O GLY A 28 -3.764 7.970 -0.755 1.00 0.00 O ATOM 0 H GLY A 28 -3.370 4.632 1.761 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -4.060 5.257 -0.941 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.797 5.868 0.528 1.00 0.00 H new ATOM 419 N GLN A 29 -1.906 7.196 0.248 1.00 0.00 N ATOM 420 CA GLN A 29 -1.194 8.464 0.070 1.00 0.00 C ATOM 421 C GLN A 29 -0.362 8.428 -1.207 1.00 0.00 C ATOM 422 O GLN A 29 -0.112 9.465 -1.820 1.00 0.00 O ATOM 423 CB GLN A 29 -0.283 8.739 1.280 1.00 0.00 C ATOM 424 CG GLN A 29 -1.096 9.369 2.418 1.00 0.00 C ATOM 425 CD GLN A 29 -1.489 10.798 2.056 1.00 0.00 C ATOM 426 OE1 GLN A 29 -1.180 11.272 0.963 1.00 0.00 O ATOM 427 NE2 GLN A 29 -2.157 11.516 2.916 1.00 0.00 N ATOM 0 H GLN A 29 -1.373 6.465 0.719 1.00 0.00 H new ATOM 0 HA GLN A 29 -1.929 9.265 -0.009 1.00 0.00 H new ATOM 0 HB2 GLN A 29 0.174 7.810 1.620 1.00 0.00 H new ATOM 0 HB3 GLN A 29 0.529 9.406 0.990 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -1.990 8.775 2.608 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.511 9.367 3.337 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.412 11.121 3.821 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -2.424 12.472 2.683 1.00 0.00 H new ATOM 436 N LEU A 30 0.065 7.234 -1.606 1.00 0.00 N ATOM 437 CA LEU A 30 0.871 7.093 -2.814 1.00 0.00 C ATOM 438 C LEU A 30 -0.011 7.110 -4.059 1.00 0.00 C ATOM 439 O LEU A 30 0.475 7.332 -5.168 1.00 0.00 O ATOM 440 CB LEU A 30 1.678 5.786 -2.752 1.00 0.00 C ATOM 441 CG LEU A 30 2.579 5.640 -4.012 1.00 0.00 C ATOM 442 CD1 LEU A 30 3.948 5.067 -3.618 1.00 0.00 C ATOM 443 CD2 LEU A 30 1.924 4.694 -5.033 1.00 0.00 C ATOM 0 H LEU A 30 -0.130 6.360 -1.118 1.00 0.00 H new ATOM 0 HA LEU A 30 1.559 7.936 -2.873 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.295 5.775 -1.854 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.999 4.936 -2.683 1.00 0.00 H new ATOM 0 HG LEU A 30 2.704 6.627 -4.457 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.571 4.969 -4.507 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.432 5.737 -2.908 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.814 4.088 -3.159 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.567 4.602 -5.909 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.784 3.712 -4.581 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.957 5.096 -5.333 1.00 0.00 H new ATOM 455 N LEU A 31 -1.308 6.875 -3.873 1.00 0.00 N ATOM 456 CA LEU A 31 -2.251 6.865 -4.993 1.00 0.00 C ATOM 457 C LEU A 31 -2.821 8.265 -5.226 1.00 0.00 C ATOM 458 O LEU A 31 -3.065 8.662 -6.364 1.00 0.00 O ATOM 459 CB LEU A 31 -3.392 5.886 -4.682 1.00 0.00 C ATOM 460 CG LEU A 31 -4.306 5.706 -5.912 1.00 0.00 C ATOM 461 CD1 LEU A 31 -3.691 4.702 -6.897 1.00 0.00 C ATOM 462 CD2 LEU A 31 -5.671 5.181 -5.458 1.00 0.00 C ATOM 0 H LEU A 31 -1.730 6.690 -2.963 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.728 6.550 -5.896 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.980 4.922 -4.385 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.976 6.256 -3.840 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.417 6.671 -6.407 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.349 4.588 -7.758 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.719 5.067 -7.229 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.568 3.738 -6.404 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.318 5.053 -6.325 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.543 4.222 -4.956 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.124 5.894 -4.769 1.00 0.00 H new ATOM 715 N LEU A 47 -1.617 0.396 -13.229 1.00 0.00 N ATOM 716 CA LEU A 47 -0.673 1.332 -12.624 1.00 0.00 C ATOM 717 C LEU A 47 0.578 1.472 -13.497 1.00 0.00 C ATOM 718 O LEU A 47 1.225 2.518 -13.499 1.00 0.00 O ATOM 719 CB LEU A 47 -0.279 0.845 -11.214 1.00 0.00 C ATOM 720 CG LEU A 47 -1.272 1.369 -10.168 1.00 0.00 C ATOM 721 CD1 LEU A 47 -2.690 0.928 -10.530 1.00 0.00 C ATOM 722 CD2 LEU A 47 -0.901 0.805 -8.794 1.00 0.00 C ATOM 0 HA LEU A 47 -1.153 2.307 -12.545 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.259 -0.245 -11.191 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.727 1.187 -10.972 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.230 2.458 -10.145 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.390 1.303 -9.783 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.956 1.326 -11.509 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.737 -0.161 -10.556 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.604 1.174 -8.047 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.943 -0.284 -8.824 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.108 1.122 -8.531 1.00 0.00 H new ATOM 734 N GLN A 48 0.916 0.414 -14.228 1.00 0.00 N ATOM 735 CA GLN A 48 2.095 0.446 -15.088 1.00 0.00 C ATOM 736 C GLN A 48 1.921 1.482 -16.191 1.00 0.00 C ATOM 737 O GLN A 48 1.752 1.140 -17.362 1.00 0.00 O ATOM 738 CB GLN A 48 2.336 -0.931 -15.709 1.00 0.00 C ATOM 739 CG GLN A 48 2.587 -1.954 -14.600 1.00 0.00 C ATOM 740 CD GLN A 48 2.774 -3.343 -15.203 1.00 0.00 C ATOM 741 OE1 GLN A 48 2.238 -3.616 -16.361 1.00 0.00 O flip ATOM 742 NE2 GLN A 48 3.423 -4.199 -14.604 1.00 0.00 N flip ATOM 0 H GLN A 48 0.399 -0.465 -14.243 1.00 0.00 H new ATOM 0 HA GLN A 48 2.956 0.719 -14.478 1.00 0.00 H new ATOM 0 HB2 GLN A 48 1.473 -1.229 -16.305 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.191 -0.893 -16.384 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.473 -1.674 -14.030 1.00 0.00 H new ATOM 0 HG3 GLN A 48 1.748 -1.961 -13.904 1.00 0.00 H new ATOM 0 HE21 GLN A 48 3.841 -3.982 -13.699 1.00 0.00 H new ATOM 0 HE22 GLN A 48 3.544 -5.126 -15.012 1.00 0.00 H new ATOM 751 N GLY A 49 1.968 2.752 -15.806 1.00 0.00 N ATOM 752 CA GLY A 49 1.819 3.847 -16.760 1.00 0.00 C ATOM 753 C GLY A 49 2.538 5.095 -16.263 1.00 0.00 C ATOM 754 O GLY A 49 2.412 6.172 -16.847 1.00 0.00 O ATOM 0 H GLY A 49 2.108 3.050 -14.841 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.222 3.550 -17.728 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.761 4.065 -16.909 1.00 0.00 H new ATOM 758 N VAL A 50 3.292 4.941 -15.174 1.00 0.00 N ATOM 759 CA VAL A 50 4.038 6.057 -14.582 1.00 0.00 C ATOM 760 C VAL A 50 5.491 5.634 -14.334 1.00 0.00 C ATOM 761 O VAL A 50 5.856 4.484 -14.573 1.00 0.00 O ATOM 762 CB VAL A 50 3.334 6.494 -13.263 1.00 0.00 C ATOM 763 CG1 VAL A 50 3.939 5.785 -12.036 1.00 0.00 C ATOM 764 CG2 VAL A 50 3.451 8.012 -13.073 1.00 0.00 C ATOM 0 H VAL A 50 3.404 4.054 -14.682 1.00 0.00 H new ATOM 0 HA VAL A 50 4.053 6.908 -15.263 1.00 0.00 H new ATOM 0 HB VAL A 50 2.285 6.211 -13.347 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.423 6.115 -11.134 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.825 4.707 -12.146 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.998 6.032 -11.959 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.954 8.302 -12.147 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.503 8.292 -13.024 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.979 8.521 -13.913 1.00 0.00 H new ATOM 774 N SER A 51 6.311 6.564 -13.845 1.00 0.00 N ATOM 775 CA SER A 51 7.718 6.276 -13.551 1.00 0.00 C ATOM 776 C SER A 51 7.960 6.499 -12.068 1.00 0.00 C ATOM 777 O SER A 51 7.134 7.113 -11.406 1.00 0.00 O ATOM 778 CB SER A 51 8.630 7.190 -14.372 1.00 0.00 C ATOM 779 OG SER A 51 8.498 6.866 -15.749 1.00 0.00 O ATOM 0 H SER A 51 6.027 7.523 -13.644 1.00 0.00 H new ATOM 0 HA SER A 51 7.943 5.242 -13.814 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.365 8.234 -14.205 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.666 7.070 -14.055 1.00 0.00 H new ATOM 0 HG SER A 51 9.079 7.450 -16.280 1.00 0.00 H new ATOM 785 N VAL A 52 9.088 6.013 -11.554 1.00 0.00 N ATOM 786 CA VAL A 52 9.407 6.176 -10.135 1.00 0.00 C ATOM 787 C VAL A 52 9.391 7.659 -9.727 1.00 0.00 C ATOM 788 O VAL A 52 8.846 8.019 -8.683 1.00 0.00 O ATOM 789 CB VAL A 52 10.785 5.541 -9.837 1.00 0.00 C ATOM 790 CG1 VAL A 52 11.435 6.197 -8.608 1.00 0.00 C ATOM 791 CG2 VAL A 52 10.610 4.038 -9.566 1.00 0.00 C ATOM 0 H VAL A 52 9.792 5.507 -12.092 1.00 0.00 H new ATOM 0 HA VAL A 52 8.644 5.667 -9.546 1.00 0.00 H new ATOM 0 HB VAL A 52 11.429 5.696 -10.703 1.00 0.00 H new ATOM 0 HG11 VAL A 52 12.403 5.734 -8.418 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.572 7.262 -8.794 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.791 6.061 -7.739 1.00 0.00 H new ATOM 0 HG21 VAL A 52 11.582 3.591 -9.356 1.00 0.00 H new ATOM 0 HG22 VAL A 52 9.953 3.897 -8.708 1.00 0.00 H new ATOM 0 HG23 VAL A 52 10.172 3.559 -10.442 1.00 0.00 H new ATOM 801 N THR A 53 10.015 8.505 -10.537 1.00 0.00 N ATOM 802 CA THR A 53 10.092 9.936 -10.235 1.00 0.00 C ATOM 803 C THR A 53 8.710 10.543 -9.972 1.00 0.00 C ATOM 804 O THR A 53 8.601 11.552 -9.293 1.00 0.00 O ATOM 805 CB THR A 53 10.773 10.672 -11.405 1.00 0.00 C ATOM 806 OG1 THR A 53 12.182 10.526 -11.292 1.00 0.00 O ATOM 807 CG2 THR A 53 10.418 12.166 -11.383 1.00 0.00 C ATOM 0 H THR A 53 10.474 8.231 -11.405 1.00 0.00 H new ATOM 0 HA THR A 53 10.680 10.054 -9.325 1.00 0.00 H new ATOM 0 HB THR A 53 10.423 10.241 -12.343 1.00 0.00 H new ATOM 0 HG1 THR A 53 12.620 10.991 -12.035 1.00 0.00 H new ATOM 0 HG21 THR A 53 10.908 12.669 -12.217 1.00 0.00 H new ATOM 0 HG22 THR A 53 9.338 12.285 -11.472 1.00 0.00 H new ATOM 0 HG23 THR A 53 10.755 12.606 -10.445 1.00 0.00 H new ATOM 815 N ASP A 54 7.669 9.955 -10.524 1.00 0.00 N ATOM 816 CA ASP A 54 6.326 10.496 -10.341 1.00 0.00 C ATOM 817 C ASP A 54 5.784 10.183 -8.947 1.00 0.00 C ATOM 818 O ASP A 54 4.974 10.932 -8.400 1.00 0.00 O ATOM 819 CB ASP A 54 5.393 9.908 -11.388 1.00 0.00 C ATOM 820 CG ASP A 54 4.072 10.672 -11.410 1.00 0.00 C ATOM 821 OD1 ASP A 54 3.709 11.222 -10.382 1.00 0.00 O ATOM 822 OD2 ASP A 54 3.441 10.694 -12.454 1.00 0.00 O ATOM 0 H ASP A 54 7.718 9.113 -11.097 1.00 0.00 H new ATOM 0 HA ASP A 54 6.380 11.579 -10.452 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.863 9.953 -12.370 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.209 8.856 -11.171 1.00 0.00 H new ATOM 827 N LEU A 55 6.198 9.051 -8.400 1.00 0.00 N ATOM 828 CA LEU A 55 5.718 8.615 -7.087 1.00 0.00 C ATOM 829 C LEU A 55 6.173 9.549 -5.960 1.00 0.00 C ATOM 830 O LEU A 55 5.344 10.152 -5.283 1.00 0.00 O ATOM 831 CB LEU A 55 6.212 7.191 -6.784 1.00 0.00 C ATOM 832 CG LEU A 55 5.537 6.170 -7.720 1.00 0.00 C ATOM 833 CD1 LEU A 55 5.889 6.481 -9.176 1.00 0.00 C ATOM 834 CD2 LEU A 55 6.034 4.761 -7.366 1.00 0.00 C ATOM 0 H LEU A 55 6.864 8.415 -8.839 1.00 0.00 H new ATOM 0 HA LEU A 55 4.629 8.637 -7.128 1.00 0.00 H new ATOM 0 HB2 LEU A 55 7.294 7.143 -6.905 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.996 6.939 -5.746 1.00 0.00 H new ATOM 0 HG LEU A 55 4.456 6.226 -7.596 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.407 5.754 -9.830 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.541 7.483 -9.428 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.970 6.428 -9.308 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.561 4.032 -8.024 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.116 4.715 -7.491 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.779 4.535 -6.331 1.00 0.00 H new ATOM 846 N LYS A 56 7.486 9.639 -5.745 1.00 0.00 N ATOM 847 CA LYS A 56 8.032 10.475 -4.666 1.00 0.00 C ATOM 848 C LYS A 56 7.552 11.923 -4.731 1.00 0.00 C ATOM 849 O LYS A 56 7.327 12.554 -3.697 1.00 0.00 O ATOM 850 CB LYS A 56 9.559 10.462 -4.721 1.00 0.00 C ATOM 851 CG LYS A 56 10.123 11.333 -3.595 1.00 0.00 C ATOM 852 CD LYS A 56 11.600 10.992 -3.356 1.00 0.00 C ATOM 853 CE LYS A 56 12.351 10.954 -4.691 1.00 0.00 C ATOM 854 NZ LYS A 56 13.816 11.064 -4.442 1.00 0.00 N ATOM 0 H LYS A 56 8.190 9.149 -6.297 1.00 0.00 H new ATOM 0 HA LYS A 56 7.671 10.048 -3.731 1.00 0.00 H new ATOM 0 HB2 LYS A 56 9.927 9.441 -4.623 1.00 0.00 H new ATOM 0 HB3 LYS A 56 9.901 10.833 -5.687 1.00 0.00 H new ATOM 0 HG2 LYS A 56 10.022 12.387 -3.854 1.00 0.00 H new ATOM 0 HG3 LYS A 56 9.552 11.174 -2.680 1.00 0.00 H new ATOM 0 HD2 LYS A 56 12.051 11.733 -2.696 1.00 0.00 H new ATOM 0 HD3 LYS A 56 11.683 10.027 -2.855 1.00 0.00 H new ATOM 0 HE2 LYS A 56 12.130 10.026 -5.218 1.00 0.00 H new ATOM 0 HE3 LYS A 56 12.018 11.771 -5.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 14.331 10.920 -5.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 14.034 12.008 -4.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 14.106 10.341 -3.753 1.00 0.00 H new ATOM 868 N ILE A 57 7.403 12.450 -5.934 1.00 0.00 N ATOM 869 CA ILE A 57 6.955 13.829 -6.097 1.00 0.00 C ATOM 870 C ILE A 57 5.449 13.909 -5.874 1.00 0.00 C ATOM 871 O ILE A 57 4.902 14.981 -5.627 1.00 0.00 O ATOM 872 CB ILE A 57 7.337 14.346 -7.492 1.00 0.00 C ATOM 873 CG1 ILE A 57 6.478 13.654 -8.557 1.00 0.00 C ATOM 874 CG2 ILE A 57 8.815 14.027 -7.734 1.00 0.00 C ATOM 875 CD1 ILE A 57 6.914 14.081 -9.966 1.00 0.00 C ATOM 0 H ILE A 57 7.583 11.953 -6.806 1.00 0.00 H new ATOM 0 HA ILE A 57 7.446 14.461 -5.358 1.00 0.00 H new ATOM 0 HB ILE A 57 7.168 15.421 -7.552 1.00 0.00 H new ATOM 0 HG12 ILE A 57 6.566 12.572 -8.456 1.00 0.00 H new ATOM 0 HG13 ILE A 57 5.428 13.904 -8.404 1.00 0.00 H new ATOM 0 HG21 ILE A 57 9.108 14.386 -8.721 1.00 0.00 H new ATOM 0 HG22 ILE A 57 9.422 14.518 -6.974 1.00 0.00 H new ATOM 0 HG23 ILE A 57 8.968 12.949 -7.680 1.00 0.00 H new ATOM 0 HD11 ILE A 57 6.292 13.579 -10.707 1.00 0.00 H new ATOM 0 HD12 ILE A 57 6.802 15.160 -10.070 1.00 0.00 H new ATOM 0 HD13 ILE A 57 7.957 13.807 -10.123 1.00 0.00 H new ATOM 887 N GLY A 58 4.788 12.758 -5.963 1.00 0.00 N ATOM 888 CA GLY A 58 3.345 12.696 -5.767 1.00 0.00 C ATOM 889 C GLY A 58 2.973 12.980 -4.312 1.00 0.00 C ATOM 890 O GLY A 58 1.953 13.613 -4.040 1.00 0.00 O ATOM 0 H GLY A 58 5.227 11.861 -6.169 1.00 0.00 H new ATOM 0 HA2 GLY A 58 2.855 13.420 -6.418 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.978 11.710 -6.053 1.00 0.00 H new ATOM 894 N LEU A 59 3.799 12.510 -3.379 1.00 0.00 N ATOM 895 CA LEU A 59 3.527 12.732 -1.961 1.00 0.00 C ATOM 896 C LEU A 59 3.819 14.178 -1.594 1.00 0.00 C ATOM 897 O LEU A 59 2.938 14.889 -1.109 1.00 0.00 O ATOM 898 CB LEU A 59 4.374 11.799 -1.080 1.00 0.00 C ATOM 899 CG LEU A 59 4.039 10.313 -1.336 1.00 0.00 C ATOM 900 CD1 LEU A 59 2.528 10.067 -1.205 1.00 0.00 C ATOM 901 CD2 LEU A 59 4.517 9.890 -2.735 1.00 0.00 C ATOM 0 H LEU A 59 4.649 11.981 -3.575 1.00 0.00 H new ATOM 0 HA LEU A 59 2.474 12.514 -1.784 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.432 11.973 -1.277 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.203 12.035 -0.030 1.00 0.00 H new ATOM 0 HG LEU A 59 4.557 9.714 -0.587 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.313 9.014 -1.389 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.202 10.333 -0.200 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.995 10.679 -1.933 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.274 8.840 -2.901 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.021 10.501 -3.489 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.596 10.028 -2.808 1.00 0.00 H new ATOM 913 N ALA A 60 5.046 14.623 -1.838 1.00 0.00 N ATOM 914 CA ALA A 60 5.406 15.998 -1.535 1.00 0.00 C ATOM 915 C ALA A 60 4.706 16.925 -2.516 1.00 0.00 C ATOM 916 O ALA A 60 4.303 18.034 -2.163 1.00 0.00 O ATOM 917 CB ALA A 60 6.919 16.188 -1.639 1.00 0.00 C ATOM 0 H ALA A 60 5.796 14.060 -2.239 1.00 0.00 H new ATOM 0 HA ALA A 60 5.095 16.232 -0.517 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.172 17.223 -1.409 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.418 15.526 -0.931 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.247 15.950 -2.651 1.00 0.00 H new ATOM 923 N GLY A 61 4.550 16.452 -3.755 1.00 0.00 N ATOM 924 CA GLY A 61 3.877 17.236 -4.794 1.00 0.00 C ATOM 925 C GLY A 61 4.837 17.621 -5.915 1.00 0.00 C ATOM 926 O GLY A 61 4.519 17.457 -7.093 1.00 0.00 O ATOM 0 H GLY A 61 4.878 15.536 -4.062 1.00 0.00 H new ATOM 0 HA2 GLY A 61 3.048 16.660 -5.206 1.00 0.00 H new ATOM 0 HA3 GLY A 61 3.451 18.137 -4.353 1.00 0.00 H new ATOM 930 N SER A 62 6.008 18.145 -5.549 1.00 0.00 N ATOM 931 CA SER A 62 6.996 18.561 -6.548 1.00 0.00 C ATOM 932 C SER A 62 8.399 18.108 -6.163 1.00 0.00 C ATOM 933 O SER A 62 8.761 18.087 -4.986 1.00 0.00 O ATOM 934 CB SER A 62 6.974 20.082 -6.690 1.00 0.00 C ATOM 935 OG SER A 62 7.679 20.665 -5.603 1.00 0.00 O ATOM 0 H SER A 62 6.294 18.291 -4.581 1.00 0.00 H new ATOM 0 HA SER A 62 6.734 18.094 -7.497 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.430 20.377 -7.635 1.00 0.00 H new ATOM 0 HB3 SER A 62 5.945 20.442 -6.707 1.00 0.00 H new ATOM 0 HG SER A 62 7.668 21.641 -5.692 1.00 0.00 H new ATOM 941 N GLU A 63 9.178 17.743 -7.175 1.00 0.00 N ATOM 942 CA GLU A 63 10.543 17.281 -6.969 1.00 0.00 C ATOM 943 C GLU A 63 11.405 18.342 -6.294 1.00 0.00 C ATOM 944 O GLU A 63 12.622 18.185 -6.194 1.00 0.00 O ATOM 945 CB GLU A 63 11.171 16.893 -8.309 1.00 0.00 C ATOM 946 CG GLU A 63 11.188 18.106 -9.242 1.00 0.00 C ATOM 947 CD GLU A 63 11.775 17.714 -10.593 1.00 0.00 C ATOM 948 OE1 GLU A 63 12.990 17.708 -10.708 1.00 0.00 O ATOM 949 OE2 GLU A 63 11.003 17.423 -11.491 1.00 0.00 O ATOM 0 H GLU A 63 8.884 17.759 -8.152 1.00 0.00 H new ATOM 0 HA GLU A 63 10.499 16.412 -6.312 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.186 16.528 -8.153 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.606 16.080 -8.764 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.176 18.489 -9.373 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.778 18.908 -8.799 1.00 0.00 H new ATOM 956 N GLU A 64 10.781 19.417 -5.827 1.00 0.00 N ATOM 957 CA GLU A 64 11.518 20.483 -5.162 1.00 0.00 C ATOM 958 C GLU A 64 11.676 20.181 -3.673 1.00 0.00 C ATOM 959 O GLU A 64 12.790 20.188 -3.149 1.00 0.00 O ATOM 960 CB GLU A 64 10.781 21.817 -5.346 1.00 0.00 C ATOM 961 CG GLU A 64 11.740 22.988 -5.097 1.00 0.00 C ATOM 962 CD GLU A 64 12.214 22.984 -3.647 1.00 0.00 C ATOM 963 OE1 GLU A 64 11.374 22.878 -2.769 1.00 0.00 O ATOM 964 OE2 GLU A 64 13.412 23.085 -3.436 1.00 0.00 O ATOM 0 H GLU A 64 9.775 19.573 -5.896 1.00 0.00 H new ATOM 0 HA GLU A 64 12.510 20.551 -5.610 1.00 0.00 H new ATOM 0 HB2 GLU A 64 10.373 21.880 -6.355 1.00 0.00 H new ATOM 0 HB3 GLU A 64 9.938 21.874 -4.657 1.00 0.00 H new ATOM 0 HG2 GLU A 64 12.597 22.914 -5.767 1.00 0.00 H new ATOM 0 HG3 GLU A 64 11.240 23.930 -5.321 1.00 0.00 H new ATOM 971 N ASP A 65 10.556 19.952 -2.983 1.00 0.00 N ATOM 972 CA ASP A 65 10.589 19.695 -1.543 1.00 0.00 C ATOM 973 C ASP A 65 10.814 18.223 -1.198 1.00 0.00 C ATOM 974 O ASP A 65 11.099 17.903 -0.046 1.00 0.00 O ATOM 975 CB ASP A 65 9.270 20.151 -0.918 1.00 0.00 C ATOM 976 CG ASP A 65 9.148 21.668 -1.000 1.00 0.00 C ATOM 977 OD1 ASP A 65 9.416 22.208 -2.061 1.00 0.00 O ATOM 978 OD2 ASP A 65 8.788 22.269 -0.001 1.00 0.00 O ATOM 0 H ASP A 65 9.623 19.939 -3.395 1.00 0.00 H new ATOM 0 HA ASP A 65 11.434 20.255 -1.142 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.433 19.683 -1.435 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.222 19.830 0.123 1.00 0.00 H new ATOM 983 N VAL A 66 10.689 17.323 -2.167 1.00 0.00 N ATOM 984 CA VAL A 66 10.891 15.906 -1.867 1.00 0.00 C ATOM 985 C VAL A 66 12.189 15.710 -1.092 1.00 0.00 C ATOM 986 O VAL A 66 12.384 14.695 -0.425 1.00 0.00 O ATOM 987 CB VAL A 66 10.937 15.066 -3.142 1.00 0.00 C ATOM 988 CG1 VAL A 66 9.556 15.013 -3.784 1.00 0.00 C ATOM 989 CG2 VAL A 66 11.912 15.679 -4.134 1.00 0.00 C ATOM 0 H VAL A 66 10.457 17.536 -3.137 1.00 0.00 H new ATOM 0 HA VAL A 66 10.046 15.576 -1.263 1.00 0.00 H new ATOM 0 HB VAL A 66 11.260 14.059 -2.880 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.600 14.412 -4.692 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.848 14.566 -3.087 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.232 16.023 -4.033 1.00 0.00 H new ATOM 0 HG21 VAL A 66 11.938 15.073 -5.040 1.00 0.00 H new ATOM 0 HG22 VAL A 66 11.590 16.690 -4.383 1.00 0.00 H new ATOM 0 HG23 VAL A 66 12.908 15.713 -3.692 1.00 0.00 H new ATOM 999 N ASP A 67 13.073 16.695 -1.192 1.00 0.00 N ATOM 1000 CA ASP A 67 14.359 16.637 -0.504 1.00 0.00 C ATOM 1001 C ASP A 67 14.171 16.448 0.999 1.00 0.00 C ATOM 1002 O ASP A 67 14.986 15.802 1.657 1.00 0.00 O ATOM 1003 CB ASP A 67 15.142 17.925 -0.762 1.00 0.00 C ATOM 1004 CG ASP A 67 15.489 18.035 -2.243 1.00 0.00 C ATOM 1005 OD1 ASP A 67 16.123 17.125 -2.751 1.00 0.00 O ATOM 1006 OD2 ASP A 67 15.115 19.027 -2.847 1.00 0.00 O ATOM 0 H ASP A 67 12.925 17.542 -1.741 1.00 0.00 H new ATOM 0 HA ASP A 67 14.914 15.783 -0.892 1.00 0.00 H new ATOM 0 HB2 ASP A 67 14.552 18.788 -0.453 1.00 0.00 H new ATOM 0 HB3 ASP A 67 16.054 17.932 -0.165 1.00 0.00 H new ATOM 1011 N MET A 68 13.095 17.020 1.540 1.00 0.00 N ATOM 1012 CA MET A 68 12.817 16.911 2.976 1.00 0.00 C ATOM 1013 C MET A 68 11.917 15.708 3.265 1.00 0.00 C ATOM 1014 O MET A 68 11.964 15.134 4.352 1.00 0.00 O ATOM 1015 CB MET A 68 12.156 18.207 3.481 1.00 0.00 C ATOM 1016 CG MET A 68 10.656 18.219 3.148 1.00 0.00 C ATOM 1017 SD MET A 68 9.748 17.350 4.451 1.00 0.00 S ATOM 1018 CE MET A 68 8.084 17.631 3.798 1.00 0.00 C ATOM 0 H MET A 68 12.407 17.559 1.014 1.00 0.00 H new ATOM 0 HA MET A 68 13.760 16.763 3.502 1.00 0.00 H new ATOM 0 HB2 MET A 68 12.295 18.296 4.558 1.00 0.00 H new ATOM 0 HB3 MET A 68 12.641 19.070 3.025 1.00 0.00 H new ATOM 0 HG2 MET A 68 10.299 19.245 3.062 1.00 0.00 H new ATOM 0 HG3 MET A 68 10.482 17.739 2.185 1.00 0.00 H new ATOM 0 HE1 MET A 68 7.351 17.170 4.460 1.00 0.00 H new ATOM 0 HE2 MET A 68 7.894 18.702 3.736 1.00 0.00 H new ATOM 0 HE3 MET A 68 8.004 17.190 2.804 1.00 0.00 H new ATOM 1028 N LEU A 69 11.100 15.339 2.283 1.00 0.00 N ATOM 1029 CA LEU A 69 10.193 14.207 2.442 1.00 0.00 C ATOM 1030 C LEU A 69 10.954 12.982 2.941 1.00 0.00 C ATOM 1031 O LEU A 69 11.859 12.484 2.271 1.00 0.00 O ATOM 1032 CB LEU A 69 9.517 13.896 1.100 1.00 0.00 C ATOM 1033 CG LEU A 69 8.420 12.834 1.282 1.00 0.00 C ATOM 1034 CD1 LEU A 69 7.256 13.397 2.118 1.00 0.00 C ATOM 1035 CD2 LEU A 69 7.903 12.401 -0.098 1.00 0.00 C ATOM 0 H LEU A 69 11.047 15.803 1.376 1.00 0.00 H new ATOM 0 HA LEU A 69 9.431 14.464 3.178 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.085 14.806 0.685 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.260 13.541 0.386 1.00 0.00 H new ATOM 0 HG LEU A 69 8.840 11.976 1.807 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.489 12.631 2.236 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.624 13.696 3.099 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.829 14.262 1.611 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.125 11.648 0.025 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.492 13.265 -0.620 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.724 11.982 -0.679 1.00 0.00 H new ATOM 1047 N ASP A 70 10.586 12.507 4.129 1.00 0.00 N ATOM 1048 CA ASP A 70 11.241 11.344 4.727 1.00 0.00 C ATOM 1049 C ASP A 70 11.556 10.282 3.676 1.00 0.00 C ATOM 1050 O ASP A 70 12.466 9.472 3.854 1.00 0.00 O ATOM 1051 CB ASP A 70 10.343 10.740 5.806 1.00 0.00 C ATOM 1052 CG ASP A 70 10.022 11.789 6.865 1.00 0.00 C ATOM 1053 OD1 ASP A 70 9.554 12.854 6.494 1.00 0.00 O ATOM 1054 OD2 ASP A 70 10.247 11.513 8.032 1.00 0.00 O ATOM 0 H ASP A 70 9.839 12.908 4.696 1.00 0.00 H new ATOM 0 HA ASP A 70 12.179 11.678 5.170 1.00 0.00 H new ATOM 0 HB2 ASP A 70 9.421 10.370 5.358 1.00 0.00 H new ATOM 0 HB3 ASP A 70 10.839 9.886 6.267 1.00 0.00 H new ATOM 1059 N THR A 71 10.804 10.293 2.583 1.00 0.00 N ATOM 1060 CA THR A 71 11.024 9.326 1.515 1.00 0.00 C ATOM 1061 C THR A 71 12.370 9.610 0.828 1.00 0.00 C ATOM 1062 O THR A 71 12.537 10.675 0.235 1.00 0.00 O ATOM 1063 CB THR A 71 9.888 9.424 0.484 1.00 0.00 C ATOM 1064 OG1 THR A 71 8.658 9.643 1.159 1.00 0.00 O ATOM 1065 CG2 THR A 71 9.804 8.126 -0.324 1.00 0.00 C ATOM 0 H THR A 71 10.045 10.953 2.413 1.00 0.00 H new ATOM 0 HA THR A 71 11.040 8.322 1.939 1.00 0.00 H new ATOM 0 HB THR A 71 10.088 10.254 -0.194 1.00 0.00 H new ATOM 0 HG1 THR A 71 7.930 9.692 0.505 1.00 0.00 H new ATOM 0 HG21 THR A 71 8.997 8.203 -1.053 1.00 0.00 H new ATOM 0 HG22 THR A 71 10.747 7.959 -0.844 1.00 0.00 H new ATOM 0 HG23 THR A 71 9.608 7.291 0.348 1.00 0.00 H new ATOM 1073 N PRO A 72 13.333 8.713 0.890 1.00 0.00 N ATOM 1074 CA PRO A 72 14.661 8.946 0.249 1.00 0.00 C ATOM 1075 C PRO A 72 14.603 8.728 -1.267 1.00 0.00 C ATOM 1076 O PRO A 72 14.023 9.538 -1.989 1.00 0.00 O ATOM 1077 CB PRO A 72 15.565 7.933 0.958 1.00 0.00 C ATOM 1078 CG PRO A 72 14.662 6.780 1.260 1.00 0.00 C ATOM 1079 CD PRO A 72 13.287 7.392 1.557 1.00 0.00 C ATOM 0 HA PRO A 72 15.021 9.970 0.352 1.00 0.00 H new ATOM 0 HB2 PRO A 72 16.398 7.630 0.323 1.00 0.00 H new ATOM 0 HB3 PRO A 72 15.994 8.352 1.868 1.00 0.00 H new ATOM 0 HG2 PRO A 72 14.610 6.093 0.416 1.00 0.00 H new ATOM 0 HG3 PRO A 72 15.029 6.209 2.113 1.00 0.00 H new ATOM 0 HD2 PRO A 72 12.481 6.773 1.163 1.00 0.00 H new ATOM 0 HD3 PRO A 72 13.117 7.492 2.629 1.00 0.00 H new ATOM 1087 N MET A 73 15.197 7.638 -1.749 1.00 0.00 N ATOM 1088 CA MET A 73 15.189 7.344 -3.184 1.00 0.00 C ATOM 1089 C MET A 73 15.249 5.838 -3.430 1.00 0.00 C ATOM 1090 O MET A 73 15.314 5.396 -4.574 1.00 0.00 O ATOM 1091 CB MET A 73 16.386 8.029 -3.864 1.00 0.00 C ATOM 1092 CG MET A 73 16.082 8.278 -5.345 1.00 0.00 C ATOM 1093 SD MET A 73 17.631 8.563 -6.238 1.00 0.00 S ATOM 1094 CE MET A 73 18.175 10.009 -5.295 1.00 0.00 C ATOM 0 H MET A 73 15.685 6.950 -1.176 1.00 0.00 H new ATOM 0 HA MET A 73 14.261 7.727 -3.608 1.00 0.00 H new ATOM 0 HB2 MET A 73 16.605 8.974 -3.366 1.00 0.00 H new ATOM 0 HB3 MET A 73 17.274 7.405 -3.768 1.00 0.00 H new ATOM 0 HG2 MET A 73 15.558 7.422 -5.769 1.00 0.00 H new ATOM 0 HG3 MET A 73 15.424 9.140 -5.452 1.00 0.00 H new ATOM 0 HE1 MET A 73 18.925 10.556 -5.867 1.00 0.00 H new ATOM 0 HE2 MET A 73 17.322 10.659 -5.101 1.00 0.00 H new ATOM 0 HE3 MET A 73 18.607 9.685 -4.348 1.00 0.00 H new ATOM 1104 N SER A 74 15.235 5.057 -2.350 1.00 0.00 N ATOM 1105 CA SER A 74 15.288 3.599 -2.449 1.00 0.00 C ATOM 1106 C SER A 74 13.929 3.002 -2.108 1.00 0.00 C ATOM 1107 O SER A 74 13.607 1.887 -2.518 1.00 0.00 O ATOM 1108 CB SER A 74 16.344 3.049 -1.488 1.00 0.00 C ATOM 1109 OG SER A 74 17.507 3.863 -1.552 1.00 0.00 O ATOM 0 H SER A 74 15.187 5.411 -1.395 1.00 0.00 H new ATOM 0 HA SER A 74 15.553 3.326 -3.471 1.00 0.00 H new ATOM 0 HB2 SER A 74 15.953 3.033 -0.471 1.00 0.00 H new ATOM 0 HB3 SER A 74 16.591 2.020 -1.751 1.00 0.00 H new ATOM 0 HG SER A 74 18.185 3.514 -0.936 1.00 0.00 H new ATOM 1115 N ALA A 75 13.133 3.755 -1.355 1.00 0.00 N ATOM 1116 CA ALA A 75 11.810 3.295 -0.962 1.00 0.00 C ATOM 1117 C ALA A 75 10.900 3.185 -2.180 1.00 0.00 C ATOM 1118 O ALA A 75 10.030 2.318 -2.239 1.00 0.00 O ATOM 1119 CB ALA A 75 11.211 4.267 0.055 1.00 0.00 C ATOM 0 H ALA A 75 13.381 4.681 -1.007 1.00 0.00 H new ATOM 0 HA ALA A 75 11.899 2.308 -0.509 1.00 0.00 H new ATOM 0 HB1 ALA A 75 10.220 3.921 0.349 1.00 0.00 H new ATOM 0 HB2 ALA A 75 11.854 4.316 0.934 1.00 0.00 H new ATOM 0 HB3 ALA A 75 11.132 5.258 -0.392 1.00 0.00 H new ATOM 1125 N LEU A 76 11.101 4.066 -3.154 1.00 0.00 N ATOM 1126 CA LEU A 76 10.283 4.029 -4.358 1.00 0.00 C ATOM 1127 C LEU A 76 10.571 2.749 -5.128 1.00 0.00 C ATOM 1128 O LEU A 76 9.661 1.993 -5.465 1.00 0.00 O ATOM 1129 CB LEU A 76 10.568 5.219 -5.275 1.00 0.00 C ATOM 1130 CG LEU A 76 10.498 6.552 -4.514 1.00 0.00 C ATOM 1131 CD1 LEU A 76 9.209 6.618 -3.693 1.00 0.00 C ATOM 1132 CD2 LEU A 76 11.720 6.738 -3.588 1.00 0.00 C ATOM 0 H LEU A 76 11.809 4.800 -3.135 1.00 0.00 H new ATOM 0 HA LEU A 76 9.239 4.071 -4.047 1.00 0.00 H new ATOM 0 HB2 LEU A 76 11.556 5.106 -5.721 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.848 5.229 -6.093 1.00 0.00 H new ATOM 0 HG LEU A 76 10.505 7.358 -5.248 1.00 0.00 H new ATOM 0 HD11 LEU A 76 9.167 7.566 -3.157 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.349 6.539 -4.359 1.00 0.00 H new ATOM 0 HD13 LEU A 76 9.191 5.796 -2.978 1.00 0.00 H new ATOM 0 HD21 LEU A 76 11.639 7.691 -3.065 1.00 0.00 H new ATOM 0 HD22 LEU A 76 11.752 5.927 -2.861 1.00 0.00 H new ATOM 0 HD23 LEU A 76 12.633 6.728 -4.184 1.00 0.00 H new ATOM 1144 N LYS A 77 11.853 2.510 -5.396 1.00 0.00 N ATOM 1145 CA LYS A 77 12.251 1.312 -6.120 1.00 0.00 C ATOM 1146 C LYS A 77 11.636 0.099 -5.441 1.00 0.00 C ATOM 1147 O LYS A 77 11.224 -0.860 -6.094 1.00 0.00 O ATOM 1148 CB LYS A 77 13.777 1.168 -6.132 1.00 0.00 C ATOM 1149 CG LYS A 77 14.388 2.179 -7.109 1.00 0.00 C ATOM 1150 CD LYS A 77 14.093 3.603 -6.628 1.00 0.00 C ATOM 1151 CE LYS A 77 15.082 4.589 -7.260 1.00 0.00 C ATOM 1152 NZ LYS A 77 15.074 4.418 -8.741 1.00 0.00 N ATOM 0 H LYS A 77 12.622 3.123 -5.126 1.00 0.00 H new ATOM 0 HA LYS A 77 11.902 1.388 -7.150 1.00 0.00 H new ATOM 0 HB2 LYS A 77 14.174 1.331 -5.130 1.00 0.00 H new ATOM 0 HB3 LYS A 77 14.053 0.155 -6.423 1.00 0.00 H new ATOM 0 HG2 LYS A 77 15.465 2.025 -7.181 1.00 0.00 H new ATOM 0 HG3 LYS A 77 13.977 2.029 -8.107 1.00 0.00 H new ATOM 0 HD2 LYS A 77 13.072 3.880 -6.892 1.00 0.00 H new ATOM 0 HD3 LYS A 77 14.165 3.650 -5.541 1.00 0.00 H new ATOM 0 HE2 LYS A 77 14.809 5.612 -7.000 1.00 0.00 H new ATOM 0 HE3 LYS A 77 16.085 4.417 -6.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 15.537 5.235 -9.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 15.587 3.549 -8.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 14.092 4.350 -9.077 1.00 0.00 H new ATOM 1166 N ASP A 78 11.577 0.162 -4.114 1.00 0.00 N ATOM 1167 CA ASP A 78 11.012 -0.918 -3.323 1.00 0.00 C ATOM 1168 C ASP A 78 9.509 -1.027 -3.577 1.00 0.00 C ATOM 1169 O ASP A 78 9.016 -2.072 -4.000 1.00 0.00 O ATOM 1170 CB ASP A 78 11.288 -0.656 -1.832 1.00 0.00 C ATOM 1171 CG ASP A 78 12.710 -1.082 -1.476 1.00 0.00 C ATOM 1172 OD1 ASP A 78 12.917 -2.263 -1.249 1.00 0.00 O ATOM 1173 OD2 ASP A 78 13.573 -0.219 -1.434 1.00 0.00 O ATOM 0 H ASP A 78 11.915 0.953 -3.566 1.00 0.00 H new ATOM 0 HA ASP A 78 11.477 -1.861 -3.612 1.00 0.00 H new ATOM 0 HB2 ASP A 78 11.151 0.402 -1.610 1.00 0.00 H new ATOM 0 HB3 ASP A 78 10.572 -1.205 -1.220 1.00 0.00 H new ATOM 1178 N ALA A 79 8.785 0.055 -3.308 1.00 0.00 N ATOM 1179 CA ALA A 79 7.337 0.067 -3.501 1.00 0.00 C ATOM 1180 C ALA A 79 6.962 -0.136 -4.971 1.00 0.00 C ATOM 1181 O ALA A 79 6.316 -1.124 -5.316 1.00 0.00 O ATOM 1182 CB ALA A 79 6.768 1.398 -3.004 1.00 0.00 C ATOM 0 H ALA A 79 9.173 0.931 -2.958 1.00 0.00 H new ATOM 0 HA ALA A 79 6.913 -0.759 -2.930 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.688 1.408 -3.148 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.994 1.518 -1.945 1.00 0.00 H new ATOM 0 HB3 ALA A 79 7.216 2.218 -3.566 1.00 0.00 H new ATOM 1188 N VAL A 80 7.345 0.824 -5.821 1.00 0.00 N ATOM 1189 CA VAL A 80 7.029 0.773 -7.256 1.00 0.00 C ATOM 1190 C VAL A 80 7.027 -0.658 -7.794 1.00 0.00 C ATOM 1191 O VAL A 80 6.372 -0.954 -8.792 1.00 0.00 O ATOM 1192 CB VAL A 80 8.028 1.631 -8.037 1.00 0.00 C ATOM 1193 CG1 VAL A 80 9.328 0.858 -8.263 1.00 0.00 C ATOM 1194 CG2 VAL A 80 7.433 2.019 -9.396 1.00 0.00 C ATOM 0 H VAL A 80 7.876 1.648 -5.540 1.00 0.00 H new ATOM 0 HA VAL A 80 6.022 1.169 -7.389 1.00 0.00 H new ATOM 0 HB VAL A 80 8.239 2.530 -7.458 1.00 0.00 H new ATOM 0 HG11 VAL A 80 10.029 1.480 -8.819 1.00 0.00 H new ATOM 0 HG12 VAL A 80 9.765 0.591 -7.301 1.00 0.00 H new ATOM 0 HG13 VAL A 80 9.118 -0.049 -8.830 1.00 0.00 H new ATOM 0 HG21 VAL A 80 8.149 2.629 -9.946 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.211 1.117 -9.967 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.515 2.587 -9.243 1.00 0.00 H new ATOM 1204 N ARG A 81 7.762 -1.536 -7.129 1.00 0.00 N ATOM 1205 CA ARG A 81 7.835 -2.929 -7.552 1.00 0.00 C ATOM 1206 C ARG A 81 6.567 -3.668 -7.149 1.00 0.00 C ATOM 1207 O ARG A 81 5.842 -4.201 -7.988 1.00 0.00 O ATOM 1208 CB ARG A 81 9.036 -3.621 -6.904 1.00 0.00 C ATOM 1209 CG ARG A 81 9.274 -4.975 -7.582 1.00 0.00 C ATOM 1210 CD ARG A 81 10.198 -5.833 -6.715 1.00 0.00 C ATOM 1211 NE ARG A 81 11.534 -5.247 -6.671 1.00 0.00 N ATOM 1212 CZ ARG A 81 12.609 -5.995 -6.436 1.00 0.00 C ATOM 1213 NH1 ARG A 81 12.482 -7.277 -6.228 1.00 0.00 N ATOM 1214 NH2 ARG A 81 13.791 -5.444 -6.412 1.00 0.00 N ATOM 0 H ARG A 81 8.313 -1.313 -6.300 1.00 0.00 H new ATOM 0 HA ARG A 81 7.944 -2.949 -8.636 1.00 0.00 H new ATOM 0 HB2 ARG A 81 9.923 -2.995 -6.997 1.00 0.00 H new ATOM 0 HB3 ARG A 81 8.856 -3.763 -5.838 1.00 0.00 H new ATOM 0 HG2 ARG A 81 8.324 -5.487 -7.735 1.00 0.00 H new ATOM 0 HG3 ARG A 81 9.718 -4.826 -8.566 1.00 0.00 H new ATOM 0 HD2 ARG A 81 9.793 -5.911 -5.706 1.00 0.00 H new ATOM 0 HD3 ARG A 81 10.250 -6.845 -7.117 1.00 0.00 H new ATOM 0 HE ARG A 81 11.646 -4.245 -6.823 1.00 0.00 H new ATOM 0 HH11 ARG A 81 11.557 -7.707 -6.245 1.00 0.00 H new ATOM 0 HH12 ARG A 81 13.307 -7.849 -6.048 1.00 0.00 H new ATOM 0 HH21 ARG A 81 13.890 -4.442 -6.573 1.00 0.00 H new ATOM 0 HH22 ARG A 81 14.617 -6.015 -6.232 1.00 0.00 H new ATOM 1228 N ILE A 82 6.334 -3.712 -5.847 1.00 0.00 N ATOM 1229 CA ILE A 82 5.182 -4.407 -5.299 1.00 0.00 C ATOM 1230 C ILE A 82 3.893 -4.093 -6.074 1.00 0.00 C ATOM 1231 O ILE A 82 3.085 -4.993 -6.299 1.00 0.00 O ATOM 1232 CB ILE A 82 5.026 -4.051 -3.810 1.00 0.00 C ATOM 1233 CG1 ILE A 82 6.064 -4.822 -2.987 1.00 0.00 C ATOM 1234 CG2 ILE A 82 3.623 -4.420 -3.319 1.00 0.00 C ATOM 1235 CD1 ILE A 82 6.127 -4.236 -1.576 1.00 0.00 C ATOM 0 H ILE A 82 6.931 -3.272 -5.147 1.00 0.00 H new ATOM 0 HA ILE A 82 5.355 -5.479 -5.400 1.00 0.00 H new ATOM 0 HB ILE A 82 5.177 -2.978 -3.689 1.00 0.00 H new ATOM 0 HG12 ILE A 82 5.798 -5.878 -2.943 1.00 0.00 H new ATOM 0 HG13 ILE A 82 7.042 -4.759 -3.463 1.00 0.00 H new ATOM 0 HG21 ILE A 82 3.527 -4.163 -2.264 1.00 0.00 H new ATOM 0 HG22 ILE A 82 2.879 -3.870 -3.896 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.463 -5.490 -3.447 1.00 0.00 H new ATOM 0 HD11 ILE A 82 6.864 -4.782 -0.988 1.00 0.00 H new ATOM 0 HD12 ILE A 82 6.412 -3.185 -1.631 1.00 0.00 H new ATOM 0 HD13 ILE A 82 5.149 -4.322 -1.102 1.00 0.00 H new ATOM 1247 N LEU A 83 3.685 -2.839 -6.484 1.00 0.00 N ATOM 1248 CA LEU A 83 2.461 -2.518 -7.226 1.00 0.00 C ATOM 1249 C LEU A 83 2.605 -2.978 -8.667 1.00 0.00 C ATOM 1250 O LEU A 83 1.638 -3.426 -9.285 1.00 0.00 O ATOM 1251 CB LEU A 83 2.097 -1.004 -7.210 1.00 0.00 C ATOM 1252 CG LEU A 83 2.640 -0.256 -5.967 1.00 0.00 C ATOM 1253 CD1 LEU A 83 2.649 -1.130 -4.702 1.00 0.00 C ATOM 1254 CD2 LEU A 83 4.031 0.273 -6.256 1.00 0.00 C ATOM 0 H LEU A 83 4.319 -2.056 -6.324 1.00 0.00 H new ATOM 0 HA LEU A 83 1.650 -3.044 -6.722 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.492 -0.533 -8.110 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.013 -0.898 -7.244 1.00 0.00 H new ATOM 0 HG LEU A 83 1.963 0.574 -5.766 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.039 -0.553 -3.864 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.633 -1.455 -4.477 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.281 -2.003 -4.867 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.410 0.799 -5.379 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.694 -0.558 -6.495 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.991 0.960 -7.101 1.00 0.00 H new ATOM 1266 N TRP A 84 3.815 -2.871 -9.199 1.00 0.00 N ATOM 1267 CA TRP A 84 4.057 -3.291 -10.579 1.00 0.00 C ATOM 1268 C TRP A 84 3.507 -4.702 -10.802 1.00 0.00 C ATOM 1269 O TRP A 84 3.281 -5.119 -11.938 1.00 0.00 O ATOM 1270 CB TRP A 84 5.582 -3.260 -10.867 1.00 0.00 C ATOM 1271 CG TRP A 84 5.913 -2.283 -11.953 1.00 0.00 C ATOM 1272 CD1 TRP A 84 6.560 -2.590 -13.097 1.00 0.00 C ATOM 1273 CD2 TRP A 84 5.635 -0.855 -12.008 1.00 0.00 C ATOM 1274 NE1 TRP A 84 6.700 -1.442 -13.853 1.00 0.00 N ATOM 1275 CE2 TRP A 84 6.145 -0.346 -13.224 1.00 0.00 C ATOM 1276 CE3 TRP A 84 4.996 0.038 -11.129 1.00 0.00 C ATOM 1277 CZ2 TRP A 84 6.028 1.004 -13.558 1.00 0.00 C ATOM 1278 CZ3 TRP A 84 4.875 1.396 -11.462 1.00 0.00 C ATOM 1279 CH2 TRP A 84 5.390 1.878 -12.674 1.00 0.00 C ATOM 0 H TRP A 84 4.632 -2.505 -8.710 1.00 0.00 H new ATOM 0 HA TRP A 84 3.548 -2.608 -11.259 1.00 0.00 H new ATOM 0 HB2 TRP A 84 6.120 -2.992 -9.958 1.00 0.00 H new ATOM 0 HB3 TRP A 84 5.920 -4.255 -11.156 1.00 0.00 H new ATOM 0 HD1 TRP A 84 6.911 -3.573 -13.376 1.00 0.00 H new ATOM 0 HE1 TRP A 84 7.157 -1.409 -14.764 1.00 0.00 H new ATOM 0 HE3 TRP A 84 4.596 -0.323 -10.193 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 6.427 1.370 -14.492 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 4.382 2.074 -10.781 1.00 0.00 H new ATOM 0 HH2 TRP A 84 5.294 2.924 -12.924 1.00 0.00 H new ATOM 1290 N GLY A 85 3.313 -5.435 -9.709 1.00 0.00 N ATOM 1291 CA GLY A 85 2.812 -6.803 -9.793 1.00 0.00 C ATOM 1292 C GLY A 85 3.974 -7.772 -9.976 1.00 0.00 C ATOM 1293 O GLY A 85 3.779 -8.952 -10.269 1.00 0.00 O ATOM 0 H GLY A 85 3.494 -5.107 -8.760 1.00 0.00 H new ATOM 0 HA2 GLY A 85 2.258 -7.053 -8.888 1.00 0.00 H new ATOM 0 HA3 GLY A 85 2.117 -6.894 -10.627 1.00 0.00 H new ATOM 1297 N GLU A 86 5.190 -7.256 -9.794 1.00 0.00 N ATOM 1298 CA GLU A 86 6.405 -8.059 -9.930 1.00 0.00 C ATOM 1299 C GLU A 86 6.934 -8.419 -8.546 1.00 0.00 C ATOM 1300 O GLU A 86 7.968 -9.074 -8.411 1.00 0.00 O ATOM 1301 CB GLU A 86 7.464 -7.261 -10.708 1.00 0.00 C ATOM 1302 CG GLU A 86 8.497 -8.213 -11.324 1.00 0.00 C ATOM 1303 CD GLU A 86 7.865 -8.998 -12.467 1.00 0.00 C ATOM 1304 OE1 GLU A 86 6.996 -8.451 -13.127 1.00 0.00 O ATOM 1305 OE2 GLU A 86 8.258 -10.135 -12.667 1.00 0.00 O ATOM 0 H GLU A 86 5.360 -6.280 -9.551 1.00 0.00 H new ATOM 0 HA GLU A 86 6.179 -8.976 -10.475 1.00 0.00 H new ATOM 0 HB2 GLU A 86 6.985 -6.675 -11.493 1.00 0.00 H new ATOM 0 HB3 GLU A 86 7.960 -6.556 -10.042 1.00 0.00 H new ATOM 0 HG2 GLU A 86 9.353 -7.646 -11.691 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.871 -8.899 -10.564 1.00 0.00 H new ATOM 1312 N ALA A 87 6.204 -7.973 -7.524 1.00 0.00 N ATOM 1313 CA ALA A 87 6.567 -8.226 -6.129 1.00 0.00 C ATOM 1314 C ALA A 87 7.296 -9.565 -5.968 1.00 0.00 C ATOM 1315 O ALA A 87 8.246 -9.675 -5.193 1.00 0.00 O ATOM 1316 CB ALA A 87 5.290 -8.214 -5.274 1.00 0.00 C ATOM 0 H ALA A 87 5.349 -7.429 -7.638 1.00 0.00 H new ATOM 0 HA ALA A 87 7.249 -7.443 -5.799 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.548 -8.402 -4.232 1.00 0.00 H new ATOM 0 HB2 ALA A 87 4.805 -7.242 -5.358 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.610 -8.990 -5.625 1.00 0.00 H new ATOM 1322 N GLU A 88 6.842 -10.573 -6.704 1.00 0.00 N ATOM 1323 CA GLU A 88 7.455 -11.894 -6.636 1.00 0.00 C ATOM 1324 C GLU A 88 8.969 -11.794 -6.792 1.00 0.00 C ATOM 1325 O GLU A 88 9.487 -10.793 -7.285 1.00 0.00 O ATOM 1326 CB GLU A 88 6.891 -12.790 -7.740 1.00 0.00 C ATOM 1327 CG GLU A 88 5.364 -12.800 -7.661 1.00 0.00 C ATOM 1328 CD GLU A 88 4.916 -13.354 -6.312 1.00 0.00 C ATOM 1329 OE1 GLU A 88 4.749 -14.558 -6.216 1.00 0.00 O ATOM 1330 OE2 GLU A 88 4.747 -12.566 -5.396 1.00 0.00 O ATOM 0 H GLU A 88 6.057 -10.502 -7.351 1.00 0.00 H new ATOM 0 HA GLU A 88 7.227 -12.326 -5.661 1.00 0.00 H new ATOM 0 HB2 GLU A 88 7.213 -12.428 -8.716 1.00 0.00 H new ATOM 0 HB3 GLU A 88 7.278 -13.804 -7.633 1.00 0.00 H new ATOM 0 HG2 GLU A 88 4.978 -11.790 -7.795 1.00 0.00 H new ATOM 0 HG3 GLU A 88 4.954 -13.408 -8.468 1.00 0.00 H new