USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=9 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 26 THR OG1 : rot 180:sc= -2.88! USER MOD Set 1.2: A 29 GLN :FLIP amide:sc= -1.83! C(o=-11!,f=-4.7!) USER MOD Set 2.1: A 25 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.43 K(o=-0.43,f=-1.5!) 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 -165:sc= 0.36 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+ 163:sc= 0 (180deg=-0.35) USER MOD ----------------------------------------------------------------- ATOM 183 N LEU A 13 -4.455 -6.112 -1.695 1.00 0.00 N ATOM 184 CA LEU A 13 -3.672 -5.988 -0.468 1.00 0.00 C ATOM 185 C LEU A 13 -2.187 -5.807 -0.781 1.00 0.00 C ATOM 186 O LEU A 13 -1.507 -4.991 -0.163 1.00 0.00 O ATOM 187 CB LEU A 13 -3.867 -7.254 0.378 1.00 0.00 C ATOM 188 CG LEU A 13 -5.247 -7.252 1.067 1.00 0.00 C ATOM 189 CD1 LEU A 13 -6.349 -6.800 0.099 1.00 0.00 C ATOM 190 CD2 LEU A 13 -5.566 -8.672 1.552 1.00 0.00 C ATOM 0 HA LEU A 13 -4.014 -5.110 0.080 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.774 -8.136 -0.255 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.081 -7.317 1.131 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.213 -6.556 1.905 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.310 -6.809 0.613 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.134 -5.791 -0.252 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.386 -7.479 -0.753 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.540 -8.679 2.041 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.582 -9.352 0.701 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.803 -8.995 2.260 1.00 0.00 H new ATOM 202 N ARG A 14 -1.696 -6.582 -1.738 1.00 0.00 N ATOM 203 CA ARG A 14 -0.293 -6.516 -2.135 1.00 0.00 C ATOM 204 C ARG A 14 0.153 -5.068 -2.332 1.00 0.00 C ATOM 205 O ARG A 14 1.212 -4.663 -1.854 1.00 0.00 O ATOM 206 CB ARG A 14 -0.103 -7.293 -3.442 1.00 0.00 C ATOM 207 CG ARG A 14 1.373 -7.653 -3.634 1.00 0.00 C ATOM 208 CD ARG A 14 1.564 -8.312 -5.004 1.00 0.00 C ATOM 209 NE ARG A 14 2.792 -9.095 -5.022 1.00 0.00 N ATOM 210 CZ ARG A 14 3.112 -9.841 -6.072 1.00 0.00 C ATOM 211 NH1 ARG A 14 2.318 -9.884 -7.106 1.00 0.00 N ATOM 212 NH2 ARG A 14 4.214 -10.534 -6.068 1.00 0.00 N ATOM 0 H ARG A 14 -2.248 -7.266 -2.256 1.00 0.00 H new ATOM 0 HA ARG A 14 0.314 -6.956 -1.344 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.707 -8.200 -3.425 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -0.451 -6.694 -4.283 1.00 0.00 H new ATOM 0 HG2 ARG A 14 1.989 -6.757 -3.560 1.00 0.00 H new ATOM 0 HG3 ARG A 14 1.699 -8.330 -2.844 1.00 0.00 H new ATOM 0 HD2 ARG A 14 0.712 -8.954 -5.228 1.00 0.00 H new ATOM 0 HD3 ARG A 14 1.600 -7.548 -5.781 1.00 0.00 H new ATOM 0 HE ARG A 14 3.416 -9.070 -4.215 1.00 0.00 H new ATOM 0 HH11 ARG A 14 1.452 -9.345 -7.107 1.00 0.00 H new ATOM 0 HH12 ARG A 14 2.563 -10.457 -7.914 1.00 0.00 H new ATOM 0 HH21 ARG A 14 4.832 -10.504 -5.257 1.00 0.00 H new ATOM 0 HH22 ARG A 14 4.459 -11.107 -6.875 1.00 0.00 H new ATOM 226 N ILE A 15 -0.664 -4.297 -3.042 1.00 0.00 N ATOM 227 CA ILE A 15 -0.350 -2.898 -3.304 1.00 0.00 C ATOM 228 C ILE A 15 -0.314 -2.112 -1.996 1.00 0.00 C ATOM 229 O ILE A 15 0.065 -0.941 -1.974 1.00 0.00 O ATOM 230 CB ILE A 15 -1.398 -2.299 -4.263 1.00 0.00 C ATOM 231 CG1 ILE A 15 -1.122 -2.778 -5.694 1.00 0.00 C ATOM 232 CG2 ILE A 15 -1.337 -0.765 -4.233 1.00 0.00 C ATOM 233 CD1 ILE A 15 -1.085 -4.306 -5.739 1.00 0.00 C ATOM 0 H ILE A 15 -1.545 -4.616 -3.445 1.00 0.00 H new ATOM 0 HA ILE A 15 0.633 -2.834 -3.771 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.387 -2.627 -3.943 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.895 -2.405 -6.366 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.173 -2.373 -6.045 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.083 -0.358 -4.915 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.540 -0.413 -3.222 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.345 -0.434 -4.541 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.888 -4.635 -6.759 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.296 -4.670 -5.082 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.045 -4.703 -5.408 1.00 0.00 H new ATOM 245 N ALA A 16 -0.716 -2.762 -0.907 1.00 0.00 N ATOM 246 CA ALA A 16 -0.736 -2.118 0.403 1.00 0.00 C ATOM 247 C ALA A 16 0.507 -2.463 1.206 1.00 0.00 C ATOM 248 O ALA A 16 0.828 -1.788 2.183 1.00 0.00 O ATOM 249 CB ALA A 16 -1.996 -2.514 1.173 1.00 0.00 C ATOM 0 H ALA A 16 -1.032 -3.732 -0.906 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.745 -1.039 0.246 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -1.996 -2.025 2.147 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.878 -2.204 0.612 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.014 -3.595 1.309 1.00 0.00 H new ATOM 255 N LEU A 17 1.223 -3.490 0.782 1.00 0.00 N ATOM 256 CA LEU A 17 2.449 -3.863 1.471 1.00 0.00 C ATOM 257 C LEU A 17 3.522 -2.839 1.125 1.00 0.00 C ATOM 258 O LEU A 17 4.427 -2.573 1.916 1.00 0.00 O ATOM 259 CB LEU A 17 2.892 -5.279 1.055 1.00 0.00 C ATOM 260 CG LEU A 17 2.260 -6.335 1.983 1.00 0.00 C ATOM 261 CD1 LEU A 17 2.864 -6.247 3.403 1.00 0.00 C ATOM 262 CD2 LEU A 17 0.738 -6.119 2.046 1.00 0.00 C ATOM 0 H LEU A 17 0.984 -4.072 -0.021 1.00 0.00 H new ATOM 0 HA LEU A 17 2.283 -3.874 2.548 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.598 -5.470 0.023 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.979 -5.354 1.096 1.00 0.00 H new ATOM 0 HG LEU A 17 2.472 -7.326 1.581 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.404 -7.001 4.042 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.939 -6.421 3.353 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.676 -5.257 3.818 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.291 -6.866 2.702 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.528 -5.122 2.434 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.315 -6.215 1.046 1.00 0.00 H new ATOM 274 N ALA A 18 3.392 -2.258 -0.062 1.00 0.00 N ATOM 275 CA ALA A 18 4.333 -1.247 -0.516 1.00 0.00 C ATOM 276 C ALA A 18 4.377 -0.094 0.478 1.00 0.00 C ATOM 277 O ALA A 18 5.445 0.420 0.799 1.00 0.00 O ATOM 278 CB ALA A 18 3.915 -0.740 -1.896 1.00 0.00 C ATOM 0 H ALA A 18 2.646 -2.470 -0.724 1.00 0.00 H new ATOM 0 HA ALA A 18 5.328 -1.686 -0.585 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.622 0.018 -2.235 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.908 -1.571 -2.602 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.917 -0.305 -1.837 1.00 0.00 H new ATOM 284 N ALA A 19 3.205 0.303 0.966 1.00 0.00 N ATOM 285 CA ALA A 19 3.130 1.394 1.937 1.00 0.00 C ATOM 286 C ALA A 19 4.240 1.243 2.977 1.00 0.00 C ATOM 287 O ALA A 19 4.825 2.231 3.423 1.00 0.00 O ATOM 288 CB ALA A 19 1.763 1.408 2.624 1.00 0.00 C ATOM 0 H ALA A 19 2.306 -0.106 0.711 1.00 0.00 H new ATOM 0 HA ALA A 19 3.261 2.339 1.410 1.00 0.00 H new ATOM 0 HB1 ALA A 19 1.726 2.226 3.343 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.982 1.546 1.877 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.607 0.462 3.142 1.00 0.00 H new ATOM 294 N ARG A 20 4.534 -0.003 3.345 1.00 0.00 N ATOM 295 CA ARG A 20 5.590 -0.267 4.315 1.00 0.00 C ATOM 296 C ARG A 20 6.934 0.169 3.742 1.00 0.00 C ATOM 297 O ARG A 20 7.775 0.723 4.450 1.00 0.00 O ATOM 298 CB ARG A 20 5.633 -1.759 4.655 1.00 0.00 C ATOM 299 CG ARG A 20 6.612 -1.998 5.807 1.00 0.00 C ATOM 300 CD ARG A 20 6.739 -3.500 6.064 1.00 0.00 C ATOM 301 NE ARG A 20 7.561 -3.747 7.244 1.00 0.00 N ATOM 302 CZ ARG A 20 7.821 -4.985 7.653 1.00 0.00 C ATOM 303 NH1 ARG A 20 7.344 -6.005 6.993 1.00 0.00 N ATOM 304 NH2 ARG A 20 8.554 -5.182 8.714 1.00 0.00 N ATOM 0 H ARG A 20 4.062 -0.835 2.990 1.00 0.00 H new ATOM 0 HA ARG A 20 5.384 0.297 5.225 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.638 -2.107 4.932 1.00 0.00 H new ATOM 0 HB3 ARG A 20 5.939 -2.332 3.780 1.00 0.00 H new ATOM 0 HG2 ARG A 20 7.587 -1.576 5.563 1.00 0.00 H new ATOM 0 HG3 ARG A 20 6.262 -1.492 6.707 1.00 0.00 H new ATOM 0 HD2 ARG A 20 5.750 -3.936 6.204 1.00 0.00 H new ATOM 0 HD3 ARG A 20 7.182 -3.988 5.196 1.00 0.00 H new ATOM 0 HE ARG A 20 7.943 -2.957 7.764 1.00 0.00 H new ATOM 0 HH11 ARG A 20 6.771 -5.853 6.163 1.00 0.00 H new ATOM 0 HH12 ARG A 20 7.544 -6.955 7.307 1.00 0.00 H new ATOM 0 HH21 ARG A 20 8.928 -4.386 9.230 1.00 0.00 H new ATOM 0 HH22 ARG A 20 8.753 -6.132 9.027 1.00 0.00 H new ATOM 318 N ALA A 21 7.121 -0.082 2.448 1.00 0.00 N ATOM 319 CA ALA A 21 8.358 0.290 1.771 1.00 0.00 C ATOM 320 C ALA A 21 8.575 1.787 1.849 1.00 0.00 C ATOM 321 O ALA A 21 9.608 2.298 1.422 1.00 0.00 O ATOM 322 CB ALA A 21 8.282 -0.101 0.297 1.00 0.00 C ATOM 0 H ALA A 21 6.433 -0.540 1.850 1.00 0.00 H new ATOM 0 HA ALA A 21 9.181 -0.230 2.261 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.209 0.180 -0.202 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.137 -1.178 0.213 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.446 0.416 -0.174 1.00 0.00 H new ATOM 328 N LEU A 22 7.582 2.492 2.380 1.00 0.00 N ATOM 329 CA LEU A 22 7.645 3.945 2.496 1.00 0.00 C ATOM 330 C LEU A 22 7.500 4.366 3.970 1.00 0.00 C ATOM 331 O LEU A 22 6.411 4.248 4.532 1.00 0.00 O ATOM 332 CB LEU A 22 6.494 4.568 1.692 1.00 0.00 C ATOM 333 CG LEU A 22 6.271 3.823 0.362 1.00 0.00 C ATOM 334 CD1 LEU A 22 5.011 4.386 -0.311 1.00 0.00 C ATOM 335 CD2 LEU A 22 7.494 3.996 -0.563 1.00 0.00 C ATOM 0 H LEU A 22 6.721 2.079 2.738 1.00 0.00 H new ATOM 0 HA LEU A 22 8.606 4.288 2.112 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.579 4.542 2.284 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.714 5.617 1.491 1.00 0.00 H new ATOM 0 HG LEU A 22 6.142 2.758 0.555 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.840 3.868 -1.255 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.152 4.240 0.344 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.145 5.451 -0.501 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.321 3.464 -1.498 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.646 5.055 -0.771 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.380 3.591 -0.074 1.00 0.00 H new ATOM 347 N PRO A 23 8.541 4.849 4.611 1.00 0.00 N ATOM 348 CA PRO A 23 8.460 5.276 6.036 1.00 0.00 C ATOM 349 C PRO A 23 7.915 6.698 6.189 1.00 0.00 C ATOM 350 O PRO A 23 8.633 7.601 6.616 1.00 0.00 O ATOM 351 CB PRO A 23 9.915 5.184 6.501 1.00 0.00 C ATOM 352 CG PRO A 23 10.720 5.525 5.286 1.00 0.00 C ATOM 353 CD PRO A 23 9.905 5.043 4.074 1.00 0.00 C ATOM 0 HA PRO A 23 7.775 4.661 6.619 1.00 0.00 H new ATOM 0 HB2 PRO A 23 10.115 5.878 7.317 1.00 0.00 H new ATOM 0 HB3 PRO A 23 10.152 4.185 6.867 1.00 0.00 H new ATOM 0 HG2 PRO A 23 10.902 6.598 5.229 1.00 0.00 H new ATOM 0 HG3 PRO A 23 11.695 5.038 5.317 1.00 0.00 H new ATOM 0 HD2 PRO A 23 9.916 5.778 3.269 1.00 0.00 H new ATOM 0 HD3 PRO A 23 10.308 4.116 3.665 1.00 0.00 H new ATOM 361 N GLY A 24 6.641 6.890 5.845 1.00 0.00 N ATOM 362 CA GLY A 24 6.020 8.210 5.960 1.00 0.00 C ATOM 363 C GLY A 24 4.849 8.374 4.991 1.00 0.00 C ATOM 364 O GLY A 24 4.084 9.334 5.096 1.00 0.00 O ATOM 0 H GLY A 24 6.026 6.159 5.489 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.670 8.359 6.981 1.00 0.00 H new ATOM 0 HA3 GLY A 24 6.765 8.981 5.763 1.00 0.00 H new ATOM 368 N THR A 25 4.711 7.442 4.045 1.00 0.00 N ATOM 369 CA THR A 25 3.625 7.504 3.055 1.00 0.00 C ATOM 370 C THR A 25 2.648 6.349 3.240 1.00 0.00 C ATOM 371 O THR A 25 3.052 5.207 3.463 1.00 0.00 O ATOM 372 CB THR A 25 4.210 7.443 1.643 1.00 0.00 C ATOM 373 OG1 THR A 25 5.235 8.417 1.513 1.00 0.00 O ATOM 374 CG2 THR A 25 3.113 7.713 0.618 1.00 0.00 C ATOM 0 H THR A 25 5.331 6.639 3.941 1.00 0.00 H new ATOM 0 HA THR A 25 3.089 8.442 3.199 1.00 0.00 H new ATOM 0 HB THR A 25 4.627 6.451 1.468 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.611 8.377 0.609 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.534 7.669 -0.386 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.330 6.961 0.717 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.690 8.703 0.790 1.00 0.00 H new ATOM 382 N THR A 26 1.356 6.658 3.145 1.00 0.00 N ATOM 383 CA THR A 26 0.313 5.655 3.299 1.00 0.00 C ATOM 384 C THR A 26 0.009 4.993 1.952 1.00 0.00 C ATOM 385 O THR A 26 0.493 5.427 0.907 1.00 0.00 O ATOM 386 CB THR A 26 -0.960 6.331 3.872 1.00 0.00 C ATOM 387 OG1 THR A 26 -0.680 7.693 4.158 1.00 0.00 O ATOM 388 CG2 THR A 26 -1.401 5.638 5.162 1.00 0.00 C ATOM 0 H THR A 26 1.009 7.600 2.961 1.00 0.00 H new ATOM 0 HA THR A 26 0.651 4.881 3.988 1.00 0.00 H new ATOM 0 HB THR A 26 -1.758 6.254 3.133 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.483 8.123 4.519 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.295 6.126 5.550 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.620 4.590 4.956 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.603 5.703 5.901 1.00 0.00 H new ATOM 396 N VAL A 27 -0.784 3.935 1.999 1.00 0.00 N ATOM 397 CA VAL A 27 -1.147 3.199 0.795 1.00 0.00 C ATOM 398 C VAL A 27 -1.883 4.092 -0.195 1.00 0.00 C ATOM 399 O VAL A 27 -1.451 4.266 -1.335 1.00 0.00 O ATOM 400 CB VAL A 27 -2.058 2.015 1.144 1.00 0.00 C ATOM 401 CG1 VAL A 27 -2.230 1.127 -0.090 1.00 0.00 C ATOM 402 CG2 VAL A 27 -1.455 1.185 2.288 1.00 0.00 C ATOM 0 H VAL A 27 -1.190 3.565 2.858 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.221 2.842 0.344 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.026 2.401 1.465 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.877 0.285 0.155 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.679 1.707 -0.896 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.256 0.756 -0.410 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.117 0.350 2.520 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.480 0.802 1.985 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.340 1.813 3.171 1.00 0.00 H new ATOM 412 N GLY A 28 -3.012 4.632 0.241 1.00 0.00 N ATOM 413 CA GLY A 28 -3.826 5.480 -0.618 1.00 0.00 C ATOM 414 C GLY A 28 -3.188 6.843 -0.860 1.00 0.00 C ATOM 415 O GLY A 28 -3.840 7.743 -1.391 1.00 0.00 O ATOM 0 H GLY A 28 -3.384 4.499 1.181 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.983 4.980 -1.574 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.808 5.617 -0.164 1.00 0.00 H new ATOM 419 N GLN A 29 -1.918 7.012 -0.477 1.00 0.00 N ATOM 420 CA GLN A 29 -1.241 8.294 -0.681 1.00 0.00 C ATOM 421 C GLN A 29 -0.372 8.245 -1.931 1.00 0.00 C ATOM 422 O GLN A 29 0.138 9.273 -2.376 1.00 0.00 O ATOM 423 CB GLN A 29 -0.375 8.639 0.543 1.00 0.00 C ATOM 424 CG GLN A 29 -1.247 9.197 1.677 1.00 0.00 C ATOM 425 CD GLN A 29 -0.365 9.852 2.735 1.00 0.00 C ATOM 426 OE1 GLN A 29 0.868 9.449 2.885 1.00 0.00 O flip ATOM 427 NE2 GLN A 29 -0.810 10.754 3.444 1.00 0.00 N flip ATOM 0 H GLN A 29 -1.348 6.292 -0.033 1.00 0.00 H new ATOM 0 HA GLN A 29 -1.999 9.066 -0.810 1.00 0.00 H new ATOM 0 HB2 GLN A 29 0.152 7.749 0.886 1.00 0.00 H new ATOM 0 HB3 GLN A 29 0.383 9.371 0.265 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -1.954 9.925 1.279 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -1.833 8.395 2.125 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -1.773 11.068 3.326 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -0.216 11.188 4.150 1.00 0.00 H new ATOM 436 N LEU A 30 -0.197 7.048 -2.498 1.00 0.00 N ATOM 437 CA LEU A 30 0.626 6.890 -3.700 1.00 0.00 C ATOM 438 C LEU A 30 -0.231 6.615 -4.937 1.00 0.00 C ATOM 439 O LEU A 30 0.236 6.786 -6.063 1.00 0.00 O ATOM 440 CB LEU A 30 1.635 5.746 -3.493 1.00 0.00 C ATOM 441 CG LEU A 30 0.942 4.357 -3.619 1.00 0.00 C ATOM 442 CD1 LEU A 30 1.203 3.748 -5.005 1.00 0.00 C ATOM 443 CD2 LEU A 30 1.499 3.397 -2.559 1.00 0.00 C ATOM 0 H LEU A 30 -0.609 6.183 -2.149 1.00 0.00 H new ATOM 0 HA LEU A 30 1.161 7.825 -3.868 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.435 5.825 -4.229 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.097 5.838 -2.510 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.129 4.499 -3.476 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.711 2.778 -5.075 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.808 4.411 -5.774 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.276 3.622 -5.151 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.010 2.428 -2.653 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.573 3.277 -2.705 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.311 3.803 -1.565 1.00 0.00 H new ATOM 455 N LEU A 31 -1.475 6.172 -4.739 1.00 0.00 N ATOM 456 CA LEU A 31 -2.361 5.860 -5.864 1.00 0.00 C ATOM 457 C LEU A 31 -3.209 7.071 -6.268 1.00 0.00 C ATOM 458 O LEU A 31 -3.316 7.399 -7.451 1.00 0.00 O ATOM 459 CB LEU A 31 -3.284 4.696 -5.456 1.00 0.00 C ATOM 460 CG LEU A 31 -3.722 3.890 -6.686 1.00 0.00 C ATOM 461 CD1 LEU A 31 -4.563 2.695 -6.226 1.00 0.00 C ATOM 462 CD2 LEU A 31 -4.548 4.774 -7.637 1.00 0.00 C ATOM 0 H LEU A 31 -1.889 6.022 -3.819 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.749 5.584 -6.723 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.765 4.043 -4.754 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.161 5.086 -4.940 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.839 3.537 -7.220 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.879 2.116 -7.094 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.968 2.064 -5.566 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.442 3.053 -5.690 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.852 4.189 -8.505 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.434 5.139 -7.117 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.944 5.621 -7.963 1.00 0.00 H new ATOM 715 N LEU A 47 -1.505 -0.047 -12.418 1.00 0.00 N ATOM 716 CA LEU A 47 -0.543 0.836 -11.760 1.00 0.00 C ATOM 717 C LEU A 47 0.636 1.140 -12.686 1.00 0.00 C ATOM 718 O LEU A 47 1.322 2.148 -12.520 1.00 0.00 O ATOM 719 CB LEU A 47 -0.025 0.174 -10.473 1.00 0.00 C ATOM 720 CG LEU A 47 -1.057 0.323 -9.342 1.00 0.00 C ATOM 721 CD1 LEU A 47 -1.171 1.795 -8.893 1.00 0.00 C ATOM 722 CD2 LEU A 47 -2.422 -0.184 -9.824 1.00 0.00 C ATOM 0 HA LEU A 47 -1.046 1.771 -11.516 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.175 -0.882 -10.655 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.919 0.631 -10.176 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.727 -0.269 -8.488 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.907 1.875 -8.093 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.203 2.141 -8.532 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.484 2.410 -9.737 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.153 -0.078 -9.022 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.743 0.399 -10.687 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -2.341 -1.234 -10.106 1.00 0.00 H new ATOM 734 N GLN A 48 0.862 0.262 -13.655 1.00 0.00 N ATOM 735 CA GLN A 48 1.960 0.444 -14.597 1.00 0.00 C ATOM 736 C GLN A 48 1.614 1.511 -15.627 1.00 0.00 C ATOM 737 O GLN A 48 1.301 1.201 -16.777 1.00 0.00 O ATOM 738 CB GLN A 48 2.266 -0.871 -15.312 1.00 0.00 C ATOM 739 CG GLN A 48 2.571 -1.958 -14.279 1.00 0.00 C ATOM 740 CD GLN A 48 2.809 -3.289 -14.985 1.00 0.00 C ATOM 741 OE1 GLN A 48 3.093 -3.314 -16.182 1.00 0.00 O ATOM 742 NE2 GLN A 48 2.710 -4.402 -14.312 1.00 0.00 N ATOM 0 H GLN A 48 0.304 -0.578 -13.809 1.00 0.00 H new ATOM 0 HA GLN A 48 2.838 0.765 -14.036 1.00 0.00 H new ATOM 0 HB2 GLN A 48 1.417 -1.168 -15.928 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.116 -0.743 -15.982 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.450 -1.683 -13.696 1.00 0.00 H new ATOM 0 HG3 GLN A 48 1.741 -2.051 -13.579 1.00 0.00 H new ATOM 0 HE21 GLN A 48 2.474 -4.379 -13.320 1.00 0.00 H new ATOM 0 HE22 GLN A 48 2.868 -5.295 -14.778 1.00 0.00 H new ATOM 751 N GLY A 49 1.672 2.771 -15.208 1.00 0.00 N ATOM 752 CA GLY A 49 1.359 3.883 -16.105 1.00 0.00 C ATOM 753 C GLY A 49 2.098 5.159 -15.702 1.00 0.00 C ATOM 754 O GLY A 49 1.857 6.224 -16.270 1.00 0.00 O ATOM 0 H GLY A 49 1.930 3.049 -14.261 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.628 3.614 -17.126 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.285 4.066 -16.096 1.00 0.00 H new ATOM 758 N VAL A 50 2.994 5.057 -14.717 1.00 0.00 N ATOM 759 CA VAL A 50 3.753 6.226 -14.249 1.00 0.00 C ATOM 760 C VAL A 50 5.238 5.871 -14.087 1.00 0.00 C ATOM 761 O VAL A 50 5.628 4.715 -14.255 1.00 0.00 O ATOM 762 CB VAL A 50 3.136 6.726 -12.914 1.00 0.00 C ATOM 763 CG1 VAL A 50 3.847 6.105 -11.704 1.00 0.00 C ATOM 764 CG2 VAL A 50 3.229 8.255 -12.817 1.00 0.00 C ATOM 0 H VAL A 50 3.212 4.188 -14.230 1.00 0.00 H new ATOM 0 HA VAL A 50 3.692 7.028 -14.985 1.00 0.00 H new ATOM 0 HB VAL A 50 2.090 6.420 -12.905 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.392 6.475 -10.785 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.753 5.020 -11.744 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.902 6.379 -11.722 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.792 8.587 -11.875 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.275 8.559 -12.859 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.686 8.706 -13.648 1.00 0.00 H new ATOM 774 N SER A 51 6.057 6.870 -13.748 1.00 0.00 N ATOM 775 CA SER A 51 7.496 6.663 -13.549 1.00 0.00 C ATOM 776 C SER A 51 7.817 6.847 -12.075 1.00 0.00 C ATOM 777 O SER A 51 7.003 7.392 -11.344 1.00 0.00 O ATOM 778 CB SER A 51 8.294 7.673 -14.374 1.00 0.00 C ATOM 779 OG SER A 51 7.903 7.582 -15.738 1.00 0.00 O ATOM 0 H SER A 51 5.749 7.832 -13.605 1.00 0.00 H new ATOM 0 HA SER A 51 7.766 5.657 -13.870 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.120 8.682 -14.001 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.362 7.476 -14.276 1.00 0.00 H new ATOM 0 HG SER A 51 8.412 8.230 -16.268 1.00 0.00 H new ATOM 785 N VAL A 52 8.994 6.398 -11.642 1.00 0.00 N ATOM 786 CA VAL A 52 9.378 6.524 -10.234 1.00 0.00 C ATOM 787 C VAL A 52 9.369 7.990 -9.773 1.00 0.00 C ATOM 788 O VAL A 52 8.907 8.298 -8.674 1.00 0.00 O ATOM 789 CB VAL A 52 10.773 5.896 -10.005 1.00 0.00 C ATOM 790 CG1 VAL A 52 11.423 6.470 -8.731 1.00 0.00 C ATOM 791 CG2 VAL A 52 10.630 4.375 -9.855 1.00 0.00 C ATOM 0 H VAL A 52 9.691 5.949 -12.236 1.00 0.00 H new ATOM 0 HA VAL A 52 8.641 5.987 -9.637 1.00 0.00 H new ATOM 0 HB VAL A 52 11.405 6.130 -10.861 1.00 0.00 H new ATOM 0 HG11 VAL A 52 12.403 6.016 -8.587 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.534 7.549 -8.834 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.792 6.251 -7.870 1.00 0.00 H new ATOM 0 HG21 VAL A 52 11.612 3.931 -9.694 1.00 0.00 H new ATOM 0 HG22 VAL A 52 9.987 4.152 -9.004 1.00 0.00 H new ATOM 0 HG23 VAL A 52 10.189 3.960 -10.761 1.00 0.00 H new ATOM 801 N THR A 53 9.910 8.878 -10.592 1.00 0.00 N ATOM 802 CA THR A 53 9.983 10.293 -10.229 1.00 0.00 C ATOM 803 C THR A 53 8.606 10.872 -9.891 1.00 0.00 C ATOM 804 O THR A 53 8.512 11.852 -9.172 1.00 0.00 O ATOM 805 CB THR A 53 10.612 11.093 -11.378 1.00 0.00 C ATOM 806 OG1 THR A 53 12.008 10.831 -11.420 1.00 0.00 O ATOM 807 CG2 THR A 53 10.378 12.594 -11.167 1.00 0.00 C ATOM 0 H THR A 53 10.303 8.652 -11.506 1.00 0.00 H new ATOM 0 HA THR A 53 10.603 10.371 -9.336 1.00 0.00 H new ATOM 0 HB THR A 53 10.151 10.793 -12.319 1.00 0.00 H new ATOM 0 HG1 THR A 53 12.414 11.338 -12.153 1.00 0.00 H new ATOM 0 HG21 THR A 53 10.829 13.151 -11.988 1.00 0.00 H new ATOM 0 HG22 THR A 53 9.307 12.795 -11.137 1.00 0.00 H new ATOM 0 HG23 THR A 53 10.832 12.904 -10.226 1.00 0.00 H new ATOM 815 N ASP A 54 7.553 10.289 -10.424 1.00 0.00 N ATOM 816 CA ASP A 54 6.209 10.800 -10.171 1.00 0.00 C ATOM 817 C ASP A 54 5.733 10.448 -8.763 1.00 0.00 C ATOM 818 O ASP A 54 4.920 11.161 -8.172 1.00 0.00 O ATOM 819 CB ASP A 54 5.239 10.221 -11.193 1.00 0.00 C ATOM 820 CG ASP A 54 3.880 10.900 -11.066 1.00 0.00 C ATOM 821 OD1 ASP A 54 3.106 10.480 -10.222 1.00 0.00 O ATOM 822 OD2 ASP A 54 3.633 11.831 -11.814 1.00 0.00 O ATOM 0 H ASP A 54 7.593 9.469 -11.030 1.00 0.00 H new ATOM 0 HA ASP A 54 6.240 11.886 -10.259 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.632 10.362 -12.200 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.134 9.147 -11.039 1.00 0.00 H new ATOM 827 N LEU A 55 6.204 9.320 -8.256 1.00 0.00 N ATOM 828 CA LEU A 55 5.788 8.844 -6.935 1.00 0.00 C ATOM 829 C LEU A 55 6.243 9.774 -5.809 1.00 0.00 C ATOM 830 O LEU A 55 5.415 10.341 -5.102 1.00 0.00 O ATOM 831 CB LEU A 55 6.352 7.440 -6.673 1.00 0.00 C ATOM 832 CG LEU A 55 5.667 6.409 -7.591 1.00 0.00 C ATOM 833 CD1 LEU A 55 5.949 6.742 -9.056 1.00 0.00 C ATOM 834 CD2 LEU A 55 6.213 5.011 -7.267 1.00 0.00 C ATOM 0 H LEU A 55 6.872 8.715 -8.733 1.00 0.00 H new ATOM 0 HA LEU A 55 4.698 8.823 -6.940 1.00 0.00 H new ATOM 0 HB2 LEU A 55 7.428 7.434 -6.848 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.197 7.167 -5.629 1.00 0.00 H new ATOM 0 HG LEU A 55 4.590 6.435 -7.425 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.461 6.008 -9.697 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.564 7.736 -9.284 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.024 6.720 -9.234 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.734 4.275 -7.912 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.290 4.993 -7.434 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.003 4.771 -6.225 1.00 0.00 H new ATOM 846 N LYS A 56 7.554 9.904 -5.626 1.00 0.00 N ATOM 847 CA LYS A 56 8.094 10.740 -4.548 1.00 0.00 C ATOM 848 C LYS A 56 7.545 12.168 -4.571 1.00 0.00 C ATOM 849 O LYS A 56 7.342 12.774 -3.520 1.00 0.00 O ATOM 850 CB LYS A 56 9.622 10.787 -4.653 1.00 0.00 C ATOM 851 CG LYS A 56 10.197 11.813 -3.665 1.00 0.00 C ATOM 852 CD LYS A 56 11.651 11.455 -3.329 1.00 0.00 C ATOM 853 CE LYS A 56 12.448 11.279 -4.622 1.00 0.00 C ATOM 854 NZ LYS A 56 13.908 11.342 -4.323 1.00 0.00 N ATOM 0 H LYS A 56 8.260 9.447 -6.203 1.00 0.00 H new ATOM 0 HA LYS A 56 7.783 10.287 -3.607 1.00 0.00 H new ATOM 0 HB2 LYS A 56 10.037 9.801 -4.445 1.00 0.00 H new ATOM 0 HB3 LYS A 56 9.915 11.049 -5.670 1.00 0.00 H new ATOM 0 HG2 LYS A 56 10.150 12.813 -4.097 1.00 0.00 H new ATOM 0 HG3 LYS A 56 9.598 11.830 -2.755 1.00 0.00 H new ATOM 0 HD2 LYS A 56 12.098 12.240 -2.719 1.00 0.00 H new ATOM 0 HD3 LYS A 56 11.684 10.537 -2.742 1.00 0.00 H new ATOM 0 HE2 LYS A 56 12.202 10.323 -5.085 1.00 0.00 H new ATOM 0 HE3 LYS A 56 12.179 12.058 -5.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 14.448 11.222 -5.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 14.136 12.264 -3.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 14.159 10.584 -3.657 1.00 0.00 H new ATOM 868 N ILE A 57 7.336 12.709 -5.758 1.00 0.00 N ATOM 869 CA ILE A 57 6.844 14.077 -5.882 1.00 0.00 C ATOM 870 C ILE A 57 5.335 14.135 -5.674 1.00 0.00 C ATOM 871 O ILE A 57 4.788 15.183 -5.353 1.00 0.00 O ATOM 872 CB ILE A 57 7.237 14.640 -7.256 1.00 0.00 C ATOM 873 CG1 ILE A 57 6.367 14.000 -8.348 1.00 0.00 C ATOM 874 CG2 ILE A 57 8.715 14.311 -7.505 1.00 0.00 C ATOM 875 CD1 ILE A 57 6.848 14.429 -9.741 1.00 0.00 C ATOM 0 H ILE A 57 7.496 12.231 -6.644 1.00 0.00 H new ATOM 0 HA ILE A 57 7.301 14.691 -5.106 1.00 0.00 H new ATOM 0 HB ILE A 57 7.085 15.719 -7.279 1.00 0.00 H new ATOM 0 HG12 ILE A 57 6.406 12.914 -8.262 1.00 0.00 H new ATOM 0 HG13 ILE A 57 5.326 14.293 -8.210 1.00 0.00 H new ATOM 0 HG21 ILE A 57 9.016 14.702 -8.477 1.00 0.00 H new ATOM 0 HG22 ILE A 57 9.326 14.767 -6.725 1.00 0.00 H new ATOM 0 HG23 ILE A 57 8.855 13.230 -7.490 1.00 0.00 H new ATOM 0 HD11 ILE A 57 6.220 13.966 -10.502 1.00 0.00 H new ATOM 0 HD12 ILE A 57 6.785 15.514 -9.830 1.00 0.00 H new ATOM 0 HD13 ILE A 57 7.882 14.113 -9.882 1.00 0.00 H new ATOM 887 N GLY A 58 4.670 13.002 -5.852 1.00 0.00 N ATOM 888 CA GLY A 58 3.224 12.943 -5.680 1.00 0.00 C ATOM 889 C GLY A 58 2.815 13.294 -4.250 1.00 0.00 C ATOM 890 O GLY A 58 1.744 13.857 -4.026 1.00 0.00 O ATOM 0 H GLY A 58 5.104 12.117 -6.114 1.00 0.00 H new ATOM 0 HA2 GLY A 58 2.745 13.632 -6.376 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.868 11.943 -5.926 1.00 0.00 H new ATOM 894 N LEU A 59 3.660 12.940 -3.281 1.00 0.00 N ATOM 895 CA LEU A 59 3.351 13.209 -1.878 1.00 0.00 C ATOM 896 C LEU A 59 3.656 14.653 -1.498 1.00 0.00 C ATOM 897 O LEU A 59 2.782 15.353 -0.986 1.00 0.00 O ATOM 898 CB LEU A 59 4.140 12.264 -0.962 1.00 0.00 C ATOM 899 CG LEU A 59 3.854 10.786 -1.310 1.00 0.00 C ATOM 900 CD1 LEU A 59 2.338 10.525 -1.339 1.00 0.00 C ATOM 901 CD2 LEU A 59 4.469 10.417 -2.673 1.00 0.00 C ATOM 0 H LEU A 59 4.553 12.472 -3.439 1.00 0.00 H new ATOM 0 HA LEU A 59 2.282 13.039 -1.747 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.207 12.464 -1.060 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.874 12.454 0.078 1.00 0.00 H new ATOM 0 HG LEU A 59 4.309 10.164 -0.539 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.153 9.479 -1.586 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.912 10.748 -0.361 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.873 11.163 -2.091 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.255 9.372 -2.898 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.040 11.050 -3.449 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.548 10.567 -2.638 1.00 0.00 H new ATOM 913 N ALA A 60 4.883 15.109 -1.733 1.00 0.00 N ATOM 914 CA ALA A 60 5.242 16.481 -1.384 1.00 0.00 C ATOM 915 C ALA A 60 4.731 17.460 -2.434 1.00 0.00 C ATOM 916 O ALA A 60 4.441 18.616 -2.124 1.00 0.00 O ATOM 917 CB ALA A 60 6.764 16.613 -1.260 1.00 0.00 C ATOM 0 H ALA A 60 5.633 14.562 -2.155 1.00 0.00 H new ATOM 0 HA ALA A 60 4.777 16.719 -0.427 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.020 17.640 -1.000 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.125 15.940 -0.482 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.230 16.353 -2.210 1.00 0.00 H new ATOM 923 N GLY A 61 4.629 17.001 -3.678 1.00 0.00 N ATOM 924 CA GLY A 61 4.156 17.871 -4.751 1.00 0.00 C ATOM 925 C GLY A 61 5.236 18.867 -5.163 1.00 0.00 C ATOM 926 O GLY A 61 5.006 19.723 -6.018 1.00 0.00 O ATOM 0 H GLY A 61 4.862 16.050 -3.965 1.00 0.00 H new ATOM 0 HA2 GLY A 61 3.865 17.268 -5.611 1.00 0.00 H new ATOM 0 HA3 GLY A 61 3.266 18.409 -4.423 1.00 0.00 H new ATOM 930 N SER A 62 6.418 18.757 -4.550 1.00 0.00 N ATOM 931 CA SER A 62 7.528 19.662 -4.862 1.00 0.00 C ATOM 932 C SER A 62 8.841 18.901 -4.992 1.00 0.00 C ATOM 933 O SER A 62 9.599 18.780 -4.030 1.00 0.00 O ATOM 934 CB SER A 62 7.658 20.722 -3.767 1.00 0.00 C ATOM 935 OG SER A 62 8.933 21.344 -3.863 1.00 0.00 O ATOM 0 H SER A 62 6.630 18.056 -3.840 1.00 0.00 H new ATOM 0 HA SER A 62 7.313 20.142 -5.817 1.00 0.00 H new ATOM 0 HB2 SER A 62 6.869 21.467 -3.870 1.00 0.00 H new ATOM 0 HB3 SER A 62 7.537 20.264 -2.785 1.00 0.00 H new ATOM 0 HG SER A 62 9.117 21.841 -3.039 1.00 0.00 H new ATOM 941 N GLU A 63 9.106 18.401 -6.195 1.00 0.00 N ATOM 942 CA GLU A 63 10.334 17.660 -6.456 1.00 0.00 C ATOM 943 C GLU A 63 11.545 18.424 -5.937 1.00 0.00 C ATOM 944 O GLU A 63 12.651 17.887 -5.874 1.00 0.00 O ATOM 945 CB GLU A 63 10.487 17.427 -7.960 1.00 0.00 C ATOM 946 CG GLU A 63 11.712 16.548 -8.223 1.00 0.00 C ATOM 947 CD GLU A 63 11.661 15.988 -9.640 1.00 0.00 C ATOM 948 OE1 GLU A 63 11.229 16.708 -10.525 1.00 0.00 O ATOM 949 OE2 GLU A 63 12.054 14.848 -9.820 1.00 0.00 O ATOM 0 H GLU A 63 8.489 18.495 -7.002 1.00 0.00 H new ATOM 0 HA GLU A 63 10.275 16.702 -5.939 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.592 16.948 -8.357 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.594 18.381 -8.477 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.623 17.130 -8.086 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.745 15.731 -7.502 1.00 0.00 H new ATOM 956 N GLU A 64 11.331 19.681 -5.568 1.00 0.00 N ATOM 957 CA GLU A 64 12.411 20.512 -5.054 1.00 0.00 C ATOM 958 C GLU A 64 12.577 20.304 -3.553 1.00 0.00 C ATOM 959 O GLU A 64 13.693 20.352 -3.034 1.00 0.00 O ATOM 960 CB GLU A 64 12.114 21.987 -5.338 1.00 0.00 C ATOM 961 CG GLU A 64 13.304 22.847 -4.899 1.00 0.00 C ATOM 962 CD GLU A 64 13.200 24.237 -5.518 1.00 0.00 C ATOM 963 OE1 GLU A 64 13.271 24.331 -6.733 1.00 0.00 O ATOM 964 OE2 GLU A 64 13.051 25.188 -4.769 1.00 0.00 O ATOM 0 H GLU A 64 10.424 20.145 -5.615 1.00 0.00 H new ATOM 0 HA GLU A 64 13.336 20.225 -5.554 1.00 0.00 H new ATOM 0 HB2 GLU A 64 11.921 22.131 -6.401 1.00 0.00 H new ATOM 0 HB3 GLU A 64 11.214 22.296 -4.806 1.00 0.00 H new ATOM 0 HG2 GLU A 64 13.326 22.925 -3.812 1.00 0.00 H new ATOM 0 HG3 GLU A 64 14.237 22.373 -5.203 1.00 0.00 H new ATOM 971 N ASP A 65 11.461 20.097 -2.850 1.00 0.00 N ATOM 972 CA ASP A 65 11.492 19.910 -1.397 1.00 0.00 C ATOM 973 C ASP A 65 11.444 18.431 -1.003 1.00 0.00 C ATOM 974 O ASP A 65 11.716 18.093 0.148 1.00 0.00 O ATOM 975 CB ASP A 65 10.288 20.637 -0.773 1.00 0.00 C ATOM 976 CG ASP A 65 10.581 22.129 -0.630 1.00 0.00 C ATOM 977 OD1 ASP A 65 10.416 22.842 -1.606 1.00 0.00 O ATOM 978 OD2 ASP A 65 10.966 22.535 0.454 1.00 0.00 O ATOM 0 H ASP A 65 10.528 20.055 -3.261 1.00 0.00 H new ATOM 0 HA ASP A 65 12.431 20.321 -1.027 1.00 0.00 H new ATOM 0 HB2 ASP A 65 9.405 20.492 -1.395 1.00 0.00 H new ATOM 0 HB3 ASP A 65 10.063 20.209 0.204 1.00 0.00 H new ATOM 983 N VAL A 66 11.091 17.551 -1.934 1.00 0.00 N ATOM 984 CA VAL A 66 11.017 16.133 -1.594 1.00 0.00 C ATOM 985 C VAL A 66 12.295 15.685 -0.895 1.00 0.00 C ATOM 986 O VAL A 66 12.289 14.721 -0.129 1.00 0.00 O ATOM 987 CB VAL A 66 10.796 15.263 -2.833 1.00 0.00 C ATOM 988 CG1 VAL A 66 9.403 15.500 -3.407 1.00 0.00 C ATOM 989 CG2 VAL A 66 11.834 15.588 -3.904 1.00 0.00 C ATOM 0 H VAL A 66 10.858 17.782 -2.900 1.00 0.00 H new ATOM 0 HA VAL A 66 10.165 16.009 -0.926 1.00 0.00 H new ATOM 0 HB VAL A 66 10.895 14.219 -2.534 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.261 14.874 -4.288 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.653 15.247 -2.658 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.298 16.548 -3.686 1.00 0.00 H new ATOM 0 HG21 VAL A 66 11.663 14.961 -4.779 1.00 0.00 H new ATOM 0 HG22 VAL A 66 11.748 16.637 -4.187 1.00 0.00 H new ATOM 0 HG23 VAL A 66 12.833 15.399 -3.512 1.00 0.00 H new ATOM 999 N ASP A 67 13.390 16.384 -1.167 1.00 0.00 N ATOM 1000 CA ASP A 67 14.670 16.041 -0.560 1.00 0.00 C ATOM 1001 C ASP A 67 14.536 15.945 0.956 1.00 0.00 C ATOM 1002 O ASP A 67 15.418 15.418 1.633 1.00 0.00 O ATOM 1003 CB ASP A 67 15.717 17.098 -0.919 1.00 0.00 C ATOM 1004 CG ASP A 67 17.119 16.556 -0.658 1.00 0.00 C ATOM 1005 OD1 ASP A 67 17.574 16.661 0.469 1.00 0.00 O ATOM 1006 OD2 ASP A 67 17.718 16.043 -1.590 1.00 0.00 O ATOM 0 H ASP A 67 13.418 17.185 -1.798 1.00 0.00 H new ATOM 0 HA ASP A 67 14.987 15.072 -0.945 1.00 0.00 H new ATOM 0 HB2 ASP A 67 15.617 17.379 -1.967 1.00 0.00 H new ATOM 0 HB3 ASP A 67 15.552 18.000 -0.330 1.00 0.00 H new ATOM 1011 N MET A 68 13.426 16.461 1.485 1.00 0.00 N ATOM 1012 CA MET A 68 13.179 16.433 2.928 1.00 0.00 C ATOM 1013 C MET A 68 12.148 15.361 3.278 1.00 0.00 C ATOM 1014 O MET A 68 12.092 14.890 4.414 1.00 0.00 O ATOM 1015 CB MET A 68 12.673 17.802 3.391 1.00 0.00 C ATOM 1016 CG MET A 68 13.803 18.827 3.271 1.00 0.00 C ATOM 1017 SD MET A 68 13.227 20.435 3.871 1.00 0.00 S ATOM 1018 CE MET A 68 14.723 21.373 3.471 1.00 0.00 C ATOM 0 H MET A 68 12.686 16.902 0.939 1.00 0.00 H new ATOM 0 HA MET A 68 14.114 16.196 3.436 1.00 0.00 H new ATOM 0 HB2 MET A 68 11.821 18.111 2.786 1.00 0.00 H new ATOM 0 HB3 MET A 68 12.327 17.744 4.423 1.00 0.00 H new ATOM 0 HG2 MET A 68 14.668 18.500 3.849 1.00 0.00 H new ATOM 0 HG3 MET A 68 14.125 18.909 2.233 1.00 0.00 H new ATOM 0 HE1 MET A 68 14.588 22.415 3.762 1.00 0.00 H new ATOM 0 HE2 MET A 68 15.571 20.952 4.011 1.00 0.00 H new ATOM 0 HE3 MET A 68 14.911 21.317 2.399 1.00 0.00 H new ATOM 1028 N LEU A 69 11.336 14.978 2.296 1.00 0.00 N ATOM 1029 CA LEU A 69 10.313 13.959 2.513 1.00 0.00 C ATOM 1030 C LEU A 69 10.936 12.710 3.138 1.00 0.00 C ATOM 1031 O LEU A 69 11.832 12.097 2.558 1.00 0.00 O ATOM 1032 CB LEU A 69 9.645 13.602 1.178 1.00 0.00 C ATOM 1033 CG LEU A 69 8.463 12.643 1.405 1.00 0.00 C ATOM 1034 CD1 LEU A 69 7.333 13.347 2.178 1.00 0.00 C ATOM 1035 CD2 LEU A 69 7.936 12.166 0.044 1.00 0.00 C ATOM 0 H LEU A 69 11.366 15.355 1.349 1.00 0.00 H new ATOM 0 HA LEU A 69 9.560 14.352 3.196 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.295 14.509 0.686 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.374 13.139 0.513 1.00 0.00 H new ATOM 0 HG LEU A 69 8.805 11.791 1.993 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.507 12.652 2.328 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.707 13.680 3.146 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.984 14.208 1.608 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.098 11.486 0.196 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.605 13.025 -0.539 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.731 11.648 -0.493 1.00 0.00 H new ATOM 1047 N ASP A 70 10.457 12.342 4.326 1.00 0.00 N ATOM 1048 CA ASP A 70 10.978 11.168 5.029 1.00 0.00 C ATOM 1049 C ASP A 70 11.248 10.019 4.060 1.00 0.00 C ATOM 1050 O ASP A 70 12.178 9.236 4.256 1.00 0.00 O ATOM 1051 CB ASP A 70 9.979 10.705 6.092 1.00 0.00 C ATOM 1052 CG ASP A 70 10.623 9.653 6.988 1.00 0.00 C ATOM 1053 OD1 ASP A 70 11.506 8.960 6.512 1.00 0.00 O ATOM 1054 OD2 ASP A 70 10.225 9.556 8.137 1.00 0.00 O ATOM 0 H ASP A 70 9.714 12.836 4.820 1.00 0.00 H new ATOM 0 HA ASP A 70 11.917 11.454 5.503 1.00 0.00 H new ATOM 0 HB2 ASP A 70 9.653 11.555 6.691 1.00 0.00 H new ATOM 0 HB3 ASP A 70 9.091 10.293 5.613 1.00 0.00 H new ATOM 1059 N THR A 71 10.433 9.926 3.016 1.00 0.00 N ATOM 1060 CA THR A 71 10.598 8.868 2.029 1.00 0.00 C ATOM 1061 C THR A 71 11.978 8.976 1.367 1.00 0.00 C ATOM 1062 O THR A 71 12.274 9.998 0.746 1.00 0.00 O ATOM 1063 CB THR A 71 9.519 8.987 0.950 1.00 0.00 C ATOM 1064 OG1 THR A 71 8.236 8.956 1.559 1.00 0.00 O ATOM 1065 CG2 THR A 71 9.646 7.826 -0.038 1.00 0.00 C ATOM 0 H THR A 71 9.659 10.564 2.832 1.00 0.00 H new ATOM 0 HA THR A 71 10.509 7.906 2.534 1.00 0.00 H new ATOM 0 HB THR A 71 9.645 9.928 0.415 1.00 0.00 H new ATOM 0 HG1 THR A 71 7.544 9.034 0.869 1.00 0.00 H new ATOM 0 HG21 THR A 71 8.876 7.915 -0.804 1.00 0.00 H new ATOM 0 HG22 THR A 71 10.630 7.853 -0.507 1.00 0.00 H new ATOM 0 HG23 THR A 71 9.523 6.882 0.492 1.00 0.00 H new ATOM 1073 N PRO A 72 12.836 7.977 1.463 1.00 0.00 N ATOM 1074 CA PRO A 72 14.182 8.053 0.827 1.00 0.00 C ATOM 1075 C PRO A 72 14.081 7.998 -0.699 1.00 0.00 C ATOM 1076 O PRO A 72 13.047 8.343 -1.270 1.00 0.00 O ATOM 1077 CB PRO A 72 14.938 6.848 1.410 1.00 0.00 C ATOM 1078 CG PRO A 72 13.874 5.864 1.776 1.00 0.00 C ATOM 1079 CD PRO A 72 12.640 6.688 2.164 1.00 0.00 C ATOM 0 HA PRO A 72 14.696 8.992 1.033 1.00 0.00 H new ATOM 0 HB2 PRO A 72 15.631 6.427 0.682 1.00 0.00 H new ATOM 0 HB3 PRO A 72 15.527 7.135 2.281 1.00 0.00 H new ATOM 0 HG2 PRO A 72 13.652 5.202 0.939 1.00 0.00 H new ATOM 0 HG3 PRO A 72 14.196 5.233 2.604 1.00 0.00 H new ATOM 0 HD2 PRO A 72 11.718 6.199 1.850 1.00 0.00 H new ATOM 0 HD3 PRO A 72 12.575 6.826 3.243 1.00 0.00 H new ATOM 1087 N MET A 73 15.161 7.580 -1.353 1.00 0.00 N ATOM 1088 CA MET A 73 15.196 7.499 -2.814 1.00 0.00 C ATOM 1089 C MET A 73 15.137 6.054 -3.285 1.00 0.00 C ATOM 1090 O MET A 73 14.874 5.784 -4.454 1.00 0.00 O ATOM 1091 CB MET A 73 16.495 8.122 -3.318 1.00 0.00 C ATOM 1092 CG MET A 73 17.680 7.214 -2.965 1.00 0.00 C ATOM 1093 SD MET A 73 19.211 8.181 -2.986 1.00 0.00 S ATOM 1094 CE MET A 73 19.664 7.861 -4.708 1.00 0.00 C ATOM 0 H MET A 73 16.026 7.291 -0.896 1.00 0.00 H new ATOM 0 HA MET A 73 14.331 8.033 -3.207 1.00 0.00 H new ATOM 0 HB2 MET A 73 16.445 8.266 -4.397 1.00 0.00 H new ATOM 0 HB3 MET A 73 16.634 9.106 -2.871 1.00 0.00 H new ATOM 0 HG2 MET A 73 17.531 6.771 -1.980 1.00 0.00 H new ATOM 0 HG3 MET A 73 17.747 6.392 -3.678 1.00 0.00 H new ATOM 0 HE1 MET A 73 20.598 8.373 -4.940 1.00 0.00 H new ATOM 0 HE2 MET A 73 19.792 6.789 -4.857 1.00 0.00 H new ATOM 0 HE3 MET A 73 18.876 8.228 -5.366 1.00 0.00 H new ATOM 1104 N SER A 74 15.399 5.137 -2.369 1.00 0.00 N ATOM 1105 CA SER A 74 15.387 3.710 -2.688 1.00 0.00 C ATOM 1106 C SER A 74 14.014 3.112 -2.406 1.00 0.00 C ATOM 1107 O SER A 74 13.634 2.103 -2.999 1.00 0.00 O ATOM 1108 CB SER A 74 16.438 2.985 -1.847 1.00 0.00 C ATOM 1109 OG SER A 74 17.715 3.559 -2.093 1.00 0.00 O ATOM 0 H SER A 74 15.623 5.350 -1.397 1.00 0.00 H new ATOM 0 HA SER A 74 15.615 3.589 -3.747 1.00 0.00 H new ATOM 0 HB2 SER A 74 16.190 3.062 -0.788 1.00 0.00 H new ATOM 0 HB3 SER A 74 16.450 1.924 -2.095 1.00 0.00 H new ATOM 0 HG SER A 74 18.391 3.097 -1.554 1.00 0.00 H new ATOM 1115 N ALA A 75 13.276 3.740 -1.498 1.00 0.00 N ATOM 1116 CA ALA A 75 11.950 3.259 -1.147 1.00 0.00 C ATOM 1117 C ALA A 75 11.039 3.283 -2.364 1.00 0.00 C ATOM 1118 O ALA A 75 10.157 2.437 -2.503 1.00 0.00 O ATOM 1119 CB ALA A 75 11.363 4.130 -0.041 1.00 0.00 C ATOM 0 H ALA A 75 13.572 4.577 -0.996 1.00 0.00 H new ATOM 0 HA ALA A 75 12.030 2.231 -0.792 1.00 0.00 H new ATOM 0 HB1 ALA A 75 10.369 3.766 0.219 1.00 0.00 H new ATOM 0 HB2 ALA A 75 12.007 4.086 0.837 1.00 0.00 H new ATOM 0 HB3 ALA A 75 11.293 5.161 -0.388 1.00 0.00 H new ATOM 1125 N LEU A 76 11.244 4.251 -3.246 1.00 0.00 N ATOM 1126 CA LEU A 76 10.406 4.323 -4.430 1.00 0.00 C ATOM 1127 C LEU A 76 10.656 3.092 -5.288 1.00 0.00 C ATOM 1128 O LEU A 76 9.719 2.447 -5.757 1.00 0.00 O ATOM 1129 CB LEU A 76 10.685 5.583 -5.253 1.00 0.00 C ATOM 1130 CG LEU A 76 10.607 6.863 -4.393 1.00 0.00 C ATOM 1131 CD1 LEU A 76 9.375 6.831 -3.486 1.00 0.00 C ATOM 1132 CD2 LEU A 76 11.874 7.044 -3.536 1.00 0.00 C ATOM 0 H LEU A 76 11.959 4.974 -3.169 1.00 0.00 H new ATOM 0 HA LEU A 76 9.366 4.363 -4.107 1.00 0.00 H new ATOM 0 HB2 LEU A 76 11.674 5.509 -5.705 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.966 5.650 -6.069 1.00 0.00 H new ATOM 0 HG LEU A 76 10.529 7.708 -5.077 1.00 0.00 H new ATOM 0 HD11 LEU A 76 9.339 7.742 -2.889 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.475 6.762 -4.097 1.00 0.00 H new ATOM 0 HD13 LEU A 76 9.432 5.966 -2.825 1.00 0.00 H new ATOM 0 HD21 LEU A 76 11.785 7.955 -2.943 1.00 0.00 H new ATOM 0 HD22 LEU A 76 11.989 6.188 -2.871 1.00 0.00 H new ATOM 0 HD23 LEU A 76 12.746 7.118 -4.186 1.00 0.00 H new ATOM 1144 N LYS A 77 11.930 2.760 -5.472 1.00 0.00 N ATOM 1145 CA LYS A 77 12.291 1.590 -6.260 1.00 0.00 C ATOM 1146 C LYS A 77 11.686 0.341 -5.626 1.00 0.00 C ATOM 1147 O LYS A 77 11.281 -0.590 -6.324 1.00 0.00 O ATOM 1148 CB LYS A 77 13.814 1.438 -6.335 1.00 0.00 C ATOM 1149 CG LYS A 77 14.393 2.505 -7.273 1.00 0.00 C ATOM 1150 CD LYS A 77 14.139 3.901 -6.691 1.00 0.00 C ATOM 1151 CE LYS A 77 15.137 4.905 -7.277 1.00 0.00 C ATOM 1152 NZ LYS A 77 15.129 4.800 -8.764 1.00 0.00 N ATOM 0 H LYS A 77 12.721 3.279 -5.090 1.00 0.00 H new ATOM 0 HA LYS A 77 11.902 1.717 -7.270 1.00 0.00 H new ATOM 0 HB2 LYS A 77 14.249 1.539 -5.341 1.00 0.00 H new ATOM 0 HB3 LYS A 77 14.073 0.443 -6.696 1.00 0.00 H new ATOM 0 HG2 LYS A 77 15.463 2.345 -7.404 1.00 0.00 H new ATOM 0 HG3 LYS A 77 13.935 2.423 -8.259 1.00 0.00 H new ATOM 0 HD2 LYS A 77 13.120 4.217 -6.914 1.00 0.00 H new ATOM 0 HD3 LYS A 77 14.234 3.874 -5.605 1.00 0.00 H new ATOM 0 HE2 LYS A 77 14.873 5.917 -6.971 1.00 0.00 H new ATOM 0 HE3 LYS A 77 16.138 4.707 -6.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 15.569 5.648 -9.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 15.664 3.957 -9.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 14.148 4.722 -9.101 1.00 0.00 H new ATOM 1166 N ASP A 78 11.620 0.336 -4.296 1.00 0.00 N ATOM 1167 CA ASP A 78 11.058 -0.792 -3.572 1.00 0.00 C ATOM 1168 C ASP A 78 9.569 -0.903 -3.870 1.00 0.00 C ATOM 1169 O ASP A 78 9.095 -1.927 -4.363 1.00 0.00 O ATOM 1170 CB ASP A 78 11.276 -0.603 -2.067 1.00 0.00 C ATOM 1171 CG ASP A 78 12.735 -0.874 -1.710 1.00 0.00 C ATOM 1172 OD1 ASP A 78 13.333 -1.726 -2.346 1.00 0.00 O ATOM 1173 OD2 ASP A 78 13.233 -0.223 -0.806 1.00 0.00 O ATOM 0 H ASP A 78 11.948 1.099 -3.704 1.00 0.00 H new ATOM 0 HA ASP A 78 11.555 -1.708 -3.891 1.00 0.00 H new ATOM 0 HB2 ASP A 78 11.005 0.412 -1.777 1.00 0.00 H new ATOM 0 HB3 ASP A 78 10.626 -1.278 -1.510 1.00 0.00 H new ATOM 1178 N ALA A 79 8.835 0.160 -3.561 1.00 0.00 N ATOM 1179 CA ALA A 79 7.397 0.186 -3.788 1.00 0.00 C ATOM 1180 C ALA A 79 7.062 0.029 -5.272 1.00 0.00 C ATOM 1181 O ALA A 79 6.433 -0.953 -5.664 1.00 0.00 O ATOM 1182 CB ALA A 79 6.825 1.505 -3.264 1.00 0.00 C ATOM 0 H ALA A 79 9.213 1.015 -3.153 1.00 0.00 H new ATOM 0 HA ALA A 79 6.950 -0.653 -3.254 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.748 1.527 -3.433 1.00 0.00 H new ATOM 0 HB2 ALA A 79 7.027 1.590 -2.196 1.00 0.00 H new ATOM 0 HB3 ALA A 79 7.292 2.338 -3.789 1.00 0.00 H new ATOM 1188 N VAL A 80 7.460 1.015 -6.085 1.00 0.00 N ATOM 1189 CA VAL A 80 7.176 0.994 -7.527 1.00 0.00 C ATOM 1190 C VAL A 80 7.220 -0.429 -8.084 1.00 0.00 C ATOM 1191 O VAL A 80 6.551 -0.747 -9.068 1.00 0.00 O ATOM 1192 CB VAL A 80 8.168 1.894 -8.273 1.00 0.00 C ATOM 1193 CG1 VAL A 80 9.465 1.136 -8.571 1.00 0.00 C ATOM 1194 CG2 VAL A 80 7.547 2.363 -9.594 1.00 0.00 C ATOM 0 H VAL A 80 7.978 1.836 -5.771 1.00 0.00 H new ATOM 0 HA VAL A 80 6.167 1.377 -7.678 1.00 0.00 H new ATOM 0 HB VAL A 80 8.395 2.753 -7.642 1.00 0.00 H new ATOM 0 HG11 VAL A 80 10.156 1.792 -9.101 1.00 0.00 H new ATOM 0 HG12 VAL A 80 9.919 0.810 -7.635 1.00 0.00 H new ATOM 0 HG13 VAL A 80 9.244 0.266 -9.189 1.00 0.00 H new ATOM 0 HG21 VAL A 80 8.254 3.002 -10.122 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.309 1.497 -10.212 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.635 2.923 -9.389 1.00 0.00 H new ATOM 1204 N ARG A 81 8.010 -1.272 -7.436 1.00 0.00 N ATOM 1205 CA ARG A 81 8.142 -2.662 -7.854 1.00 0.00 C ATOM 1206 C ARG A 81 6.924 -3.455 -7.401 1.00 0.00 C ATOM 1207 O ARG A 81 6.222 -4.068 -8.203 1.00 0.00 O ATOM 1208 CB ARG A 81 9.400 -3.277 -7.236 1.00 0.00 C ATOM 1209 CG ARG A 81 9.688 -4.629 -7.895 1.00 0.00 C ATOM 1210 CD ARG A 81 10.723 -5.397 -7.071 1.00 0.00 C ATOM 1211 NE ARG A 81 12.019 -4.732 -7.141 1.00 0.00 N ATOM 1212 CZ ARG A 81 12.745 -4.759 -8.253 1.00 0.00 C ATOM 1213 NH1 ARG A 81 12.299 -5.380 -9.311 1.00 0.00 N ATOM 1214 NH2 ARG A 81 13.905 -4.161 -8.288 1.00 0.00 N ATOM 0 H ARG A 81 8.569 -1.020 -6.621 1.00 0.00 H new ATOM 0 HA ARG A 81 8.218 -2.696 -8.941 1.00 0.00 H new ATOM 0 HB2 ARG A 81 10.249 -2.607 -7.372 1.00 0.00 H new ATOM 0 HB3 ARG A 81 9.264 -3.406 -6.162 1.00 0.00 H new ATOM 0 HG2 ARG A 81 8.769 -5.209 -7.973 1.00 0.00 H new ATOM 0 HG3 ARG A 81 10.057 -4.478 -8.910 1.00 0.00 H new ATOM 0 HD2 ARG A 81 10.396 -5.463 -6.033 1.00 0.00 H new ATOM 0 HD3 ARG A 81 10.810 -6.418 -7.443 1.00 0.00 H new ATOM 0 HE ARG A 81 12.374 -4.238 -6.322 1.00 0.00 H new ATOM 0 HH11 ARG A 81 11.392 -5.845 -9.285 1.00 0.00 H new ATOM 0 HH12 ARG A 81 12.858 -5.400 -10.164 1.00 0.00 H new ATOM 0 HH21 ARG A 81 14.253 -3.674 -7.462 1.00 0.00 H new ATOM 0 HH22 ARG A 81 14.464 -4.181 -9.141 1.00 0.00 H new ATOM 1228 N ILE A 82 6.708 -3.453 -6.094 1.00 0.00 N ATOM 1229 CA ILE A 82 5.604 -4.185 -5.497 1.00 0.00 C ATOM 1230 C ILE A 82 4.288 -3.987 -6.268 1.00 0.00 C ATOM 1231 O ILE A 82 3.545 -4.949 -6.456 1.00 0.00 O ATOM 1232 CB ILE A 82 5.448 -3.766 -4.023 1.00 0.00 C ATOM 1233 CG1 ILE A 82 6.541 -4.443 -3.183 1.00 0.00 C ATOM 1234 CG2 ILE A 82 4.072 -4.185 -3.496 1.00 0.00 C ATOM 1235 CD1 ILE A 82 6.558 -3.837 -1.779 1.00 0.00 C ATOM 0 H ILE A 82 7.288 -2.948 -5.424 1.00 0.00 H new ATOM 0 HA ILE A 82 5.836 -5.249 -5.550 1.00 0.00 H new ATOM 0 HB ILE A 82 5.542 -2.682 -3.951 1.00 0.00 H new ATOM 0 HG12 ILE A 82 6.357 -5.516 -3.125 1.00 0.00 H new ATOM 0 HG13 ILE A 82 7.513 -4.312 -3.659 1.00 0.00 H new ATOM 0 HG21 ILE A 82 3.974 -3.883 -2.453 1.00 0.00 H new ATOM 0 HG22 ILE A 82 3.294 -3.703 -4.088 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.968 -5.267 -3.572 1.00 0.00 H new ATOM 0 HD11 ILE A 82 7.334 -4.319 -1.184 1.00 0.00 H new ATOM 0 HD12 ILE A 82 6.763 -2.769 -1.846 1.00 0.00 H new ATOM 0 HD13 ILE A 82 5.589 -3.991 -1.304 1.00 0.00 H new ATOM 1247 N LEU A 83 3.983 -2.762 -6.714 1.00 0.00 N ATOM 1248 CA LEU A 83 2.730 -2.559 -7.454 1.00 0.00 C ATOM 1249 C LEU A 83 2.896 -3.049 -8.885 1.00 0.00 C ATOM 1250 O LEU A 83 1.959 -3.588 -9.475 1.00 0.00 O ATOM 1251 CB LEU A 83 2.237 -1.076 -7.482 1.00 0.00 C ATOM 1252 CG LEU A 83 2.825 -0.211 -6.348 1.00 0.00 C ATOM 1253 CD1 LEU A 83 2.946 -0.982 -5.023 1.00 0.00 C ATOM 1254 CD2 LEU A 83 4.170 0.336 -6.782 1.00 0.00 C ATOM 0 H LEU A 83 4.557 -1.929 -6.584 1.00 0.00 H new ATOM 0 HA LEU A 83 1.972 -3.132 -6.921 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.501 -0.632 -8.442 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.149 -1.062 -7.413 1.00 0.00 H new ATOM 0 HG LEU A 83 2.137 0.613 -6.160 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.365 -0.328 -4.258 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.959 -1.322 -4.709 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.600 -1.843 -5.162 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.589 0.948 -5.983 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.846 -0.491 -6.998 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.043 0.945 -7.677 1.00 0.00 H new ATOM 1266 N TRP A 84 4.087 -2.865 -9.446 1.00 0.00 N ATOM 1267 CA TRP A 84 4.332 -3.308 -10.818 1.00 0.00 C ATOM 1268 C TRP A 84 3.911 -4.769 -10.969 1.00 0.00 C ATOM 1269 O TRP A 84 3.778 -5.278 -12.083 1.00 0.00 O ATOM 1270 CB TRP A 84 5.837 -3.146 -11.159 1.00 0.00 C ATOM 1271 CG TRP A 84 6.063 -2.013 -12.114 1.00 0.00 C ATOM 1272 CD1 TRP A 84 6.915 -2.049 -13.164 1.00 0.00 C ATOM 1273 CD2 TRP A 84 5.459 -0.689 -12.120 1.00 0.00 C ATOM 1274 NE1 TRP A 84 6.872 -0.831 -13.815 1.00 0.00 N ATOM 1275 CE2 TRP A 84 5.990 0.041 -13.211 1.00 0.00 C ATOM 1276 CE3 TRP A 84 4.513 -0.055 -11.295 1.00 0.00 C ATOM 1277 CZ2 TRP A 84 5.595 1.352 -13.475 1.00 0.00 C ATOM 1278 CZ3 TRP A 84 4.113 1.265 -11.559 1.00 0.00 C ATOM 1279 CH2 TRP A 84 4.655 1.967 -12.645 1.00 0.00 C ATOM 0 H TRP A 84 4.883 -2.423 -8.986 1.00 0.00 H new ATOM 0 HA TRP A 84 3.747 -2.698 -11.506 1.00 0.00 H new ATOM 0 HB2 TRP A 84 6.402 -2.970 -10.244 1.00 0.00 H new ATOM 0 HB3 TRP A 84 6.215 -4.071 -11.594 1.00 0.00 H new ATOM 0 HD1 TRP A 84 7.528 -2.892 -13.447 1.00 0.00 H new ATOM 0 HE1 TRP A 84 7.425 -0.604 -14.642 1.00 0.00 H new ATOM 0 HE3 TRP A 84 4.092 -0.586 -10.454 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 6.013 1.888 -14.315 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 3.383 1.742 -10.922 1.00 0.00 H new ATOM 0 HH2 TRP A 84 4.346 2.983 -12.840 1.00 0.00 H new ATOM 1290 N GLY A 85 3.714 -5.440 -9.839 1.00 0.00 N ATOM 1291 CA GLY A 85 3.325 -6.844 -9.855 1.00 0.00 C ATOM 1292 C GLY A 85 4.548 -7.725 -10.069 1.00 0.00 C ATOM 1293 O GLY A 85 4.432 -8.885 -10.463 1.00 0.00 O ATOM 0 H GLY A 85 3.817 -5.037 -8.907 1.00 0.00 H new ATOM 0 HA2 GLY A 85 2.839 -7.105 -8.915 1.00 0.00 H new ATOM 0 HA3 GLY A 85 2.598 -7.019 -10.648 1.00 0.00 H new ATOM 1297 N GLU A 86 5.726 -7.159 -9.802 1.00 0.00 N ATOM 1298 CA GLU A 86 6.990 -7.883 -9.960 1.00 0.00 C ATOM 1299 C GLU A 86 7.635 -8.102 -8.594 1.00 0.00 C ATOM 1300 O GLU A 86 8.773 -8.561 -8.500 1.00 0.00 O ATOM 1301 CB GLU A 86 7.936 -7.079 -10.867 1.00 0.00 C ATOM 1302 CG GLU A 86 8.977 -8.008 -11.504 1.00 0.00 C ATOM 1303 CD GLU A 86 8.318 -8.875 -12.572 1.00 0.00 C ATOM 1304 OE1 GLU A 86 7.762 -8.315 -13.502 1.00 0.00 O ATOM 1305 OE2 GLU A 86 8.379 -10.087 -12.444 1.00 0.00 O ATOM 0 H GLU A 86 5.832 -6.199 -9.474 1.00 0.00 H new ATOM 0 HA GLU A 86 6.796 -8.853 -10.418 1.00 0.00 H new ATOM 0 HB2 GLU A 86 7.364 -6.575 -11.645 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.437 -6.304 -10.287 1.00 0.00 H new ATOM 0 HG2 GLU A 86 9.780 -7.419 -11.947 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.429 -8.639 -10.739 1.00 0.00 H new ATOM 1312 N ALA A 87 6.892 -7.760 -7.540 1.00 0.00 N ATOM 1313 CA ALA A 87 7.379 -7.909 -6.167 1.00 0.00 C ATOM 1314 C ALA A 87 8.294 -9.131 -6.025 1.00 0.00 C ATOM 1315 O ALA A 87 9.445 -9.010 -5.607 1.00 0.00 O ATOM 1316 CB ALA A 87 6.180 -8.036 -5.214 1.00 0.00 C ATOM 0 H ALA A 87 5.949 -7.377 -7.611 1.00 0.00 H new ATOM 0 HA ALA A 87 7.965 -7.026 -5.912 1.00 0.00 H new ATOM 0 HB1 ALA A 87 6.539 -8.147 -4.191 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.561 -7.142 -5.286 1.00 0.00 H new ATOM 0 HB3 ALA A 87 5.588 -8.910 -5.488 1.00 0.00 H new ATOM 1322 N GLU A 88 7.774 -10.303 -6.379 1.00 0.00 N ATOM 1323 CA GLU A 88 8.556 -11.532 -6.288 1.00 0.00 C ATOM 1324 C GLU A 88 9.881 -11.379 -7.029 1.00 0.00 C ATOM 1325 O GLU A 88 9.937 -10.780 -8.103 1.00 0.00 O ATOM 1326 CB GLU A 88 7.768 -12.701 -6.885 1.00 0.00 C ATOM 1327 CG GLU A 88 6.593 -13.046 -5.969 1.00 0.00 C ATOM 1328 CD GLU A 88 5.846 -14.259 -6.514 1.00 0.00 C ATOM 1329 OE1 GLU A 88 5.289 -14.152 -7.594 1.00 0.00 O ATOM 1330 OE2 GLU A 88 5.842 -15.279 -5.843 1.00 0.00 O ATOM 0 H GLU A 88 6.824 -10.427 -6.728 1.00 0.00 H new ATOM 0 HA GLU A 88 8.760 -11.732 -5.236 1.00 0.00 H new ATOM 0 HB2 GLU A 88 7.404 -12.438 -7.878 1.00 0.00 H new ATOM 0 HB3 GLU A 88 8.417 -13.568 -7.003 1.00 0.00 H new ATOM 0 HG2 GLU A 88 6.955 -13.254 -4.962 1.00 0.00 H new ATOM 0 HG3 GLU A 88 5.916 -12.195 -5.895 1.00 0.00 H new