USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 614 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 27 THR OG1 : rot -164:sc= 1.38 USER MOD Set 1.2: A 31 THR OG1 : rot 172:sc= 0.0955! USER MOD Set 2.1: A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 37 GLN :FLIP amide:sc= -0.271 F(o=-1.8,f=-0.27) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 178:sc= 0.151 (180deg=0.145) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.0898 K(o=-0.09,f=-0.67) USER MOD Single : A 29 HIS : no HD1:sc= -0.517 X(o=-0.52,f=-0.29) USER MOD Single : A 38 TYR OH : rot -59:sc= -1.45! USER MOD Single : A 43 SER OG : rot 180:sc= -3.48! USER MOD Single : A 46 LYS NZ :NH3+ -124:sc=-0.00198 (180deg=-0.603) USER MOD Single : A 65 THR OG1 : rot -150:sc= -0.569 USER MOD Single : A 67 ASN :FLIP amide:sc= -9.98! C(o=-11!,f=-10!) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN :FLIP amide:sc= -0.697 F(o=-4.5!,f=-0.7) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -6.56! C(o=-6.6!,f=-7!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= -0.368! C(o=-0.37!,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 215 N CYS A 14 12.178 0.238 2.829 1.00 0.00 N ATOM 216 CA CYS A 14 11.877 1.482 3.583 1.00 0.00 C ATOM 217 C CYS A 14 11.226 1.124 4.926 1.00 0.00 C ATOM 218 O CYS A 14 10.022 0.995 5.027 1.00 0.00 O ATOM 219 CB CYS A 14 10.892 2.257 2.701 1.00 0.00 C ATOM 220 SG CYS A 14 11.566 2.476 1.029 1.00 0.00 S ATOM 0 HA CYS A 14 12.771 2.067 3.798 1.00 0.00 H new ATOM 0 HB2 CYS A 14 9.944 1.722 2.649 1.00 0.00 H new ATOM 0 HB3 CYS A 14 10.685 3.230 3.146 1.00 0.00 H new ATOM 225 N THR A 15 12.012 0.941 5.953 1.00 0.00 N ATOM 226 CA THR A 15 11.438 0.569 7.281 1.00 0.00 C ATOM 227 C THR A 15 10.860 1.791 8.003 1.00 0.00 C ATOM 228 O THR A 15 10.174 1.660 8.996 1.00 0.00 O ATOM 229 CB THR A 15 12.608 -0.009 8.070 1.00 0.00 C ATOM 230 OG1 THR A 15 12.205 -0.241 9.413 1.00 0.00 O ATOM 231 CG2 THR A 15 13.766 0.979 8.047 1.00 0.00 C ATOM 0 H THR A 15 13.028 1.033 5.931 1.00 0.00 H new ATOM 0 HA THR A 15 10.616 -0.139 7.175 1.00 0.00 H new ATOM 0 HB THR A 15 12.924 -0.951 7.621 1.00 0.00 H new ATOM 0 HG1 THR A 15 12.956 -0.614 9.920 1.00 0.00 H new ATOM 0 HG21 THR A 15 14.605 0.570 8.610 1.00 0.00 H new ATOM 0 HG22 THR A 15 14.073 1.156 7.016 1.00 0.00 H new ATOM 0 HG23 THR A 15 13.451 1.920 8.498 1.00 0.00 H new ATOM 239 N GLY A 16 11.127 2.974 7.522 1.00 0.00 N ATOM 240 CA GLY A 16 10.586 4.184 8.192 1.00 0.00 C ATOM 241 C GLY A 16 9.059 4.137 8.181 1.00 0.00 C ATOM 242 O GLY A 16 8.452 3.144 8.526 1.00 0.00 O ATOM 0 H GLY A 16 11.696 3.152 6.695 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.951 4.238 9.218 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.936 5.081 7.682 1.00 0.00 H new ATOM 246 N LYS A 17 8.432 5.210 7.791 1.00 0.00 N ATOM 247 CA LYS A 17 6.942 5.237 7.761 1.00 0.00 C ATOM 248 C LYS A 17 6.460 5.751 6.403 1.00 0.00 C ATOM 249 O LYS A 17 7.251 6.022 5.525 1.00 0.00 O ATOM 250 CB LYS A 17 6.568 6.210 8.872 1.00 0.00 C ATOM 251 CG LYS A 17 5.916 5.447 10.024 1.00 0.00 C ATOM 252 CD LYS A 17 6.707 5.695 11.311 1.00 0.00 C ATOM 253 CE LYS A 17 8.046 4.959 11.238 1.00 0.00 C ATOM 254 NZ LYS A 17 8.370 4.608 12.649 1.00 0.00 N ATOM 0 H LYS A 17 8.887 6.072 7.491 1.00 0.00 H new ATOM 0 HA LYS A 17 6.491 4.255 7.903 1.00 0.00 H new ATOM 0 HB2 LYS A 17 7.457 6.733 9.226 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.883 6.967 8.491 1.00 0.00 H new ATOM 0 HG2 LYS A 17 4.883 5.771 10.151 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.890 4.381 9.800 1.00 0.00 H new ATOM 0 HD2 LYS A 17 6.874 6.763 11.447 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.137 5.349 12.173 1.00 0.00 H new ATOM 0 HE2 LYS A 17 7.973 4.067 10.616 1.00 0.00 H new ATOM 0 HE3 LYS A 17 8.820 5.590 10.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 9.260 4.070 12.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.474 5.479 13.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.603 4.030 13.048 1.00 0.00 H new ATOM 268 N PHE A 18 5.174 5.883 6.208 1.00 0.00 N ATOM 269 CA PHE A 18 4.686 6.373 4.890 1.00 0.00 C ATOM 270 C PHE A 18 3.556 7.389 5.041 1.00 0.00 C ATOM 271 O PHE A 18 2.692 7.261 5.886 1.00 0.00 O ATOM 272 CB PHE A 18 4.192 5.129 4.175 1.00 0.00 C ATOM 273 CG PHE A 18 5.369 4.445 3.540 1.00 0.00 C ATOM 274 CD1 PHE A 18 6.110 3.521 4.280 1.00 0.00 C ATOM 275 CD2 PHE A 18 5.735 4.749 2.226 1.00 0.00 C ATOM 276 CE1 PHE A 18 7.221 2.897 3.709 1.00 0.00 C ATOM 277 CE2 PHE A 18 6.845 4.122 1.651 1.00 0.00 C ATOM 278 CZ PHE A 18 7.590 3.196 2.393 1.00 0.00 C ATOM 0 H PHE A 18 4.450 5.675 6.896 1.00 0.00 H new ATOM 0 HA PHE A 18 5.474 6.890 4.342 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.699 4.459 4.879 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.455 5.395 3.418 1.00 0.00 H new ATOM 0 HD1 PHE A 18 5.823 3.289 5.295 1.00 0.00 H new ATOM 0 HD2 PHE A 18 5.162 5.466 1.656 1.00 0.00 H new ATOM 0 HE1 PHE A 18 7.795 2.184 4.283 1.00 0.00 H new ATOM 0 HE2 PHE A 18 7.128 4.352 0.634 1.00 0.00 H new ATOM 0 HZ PHE A 18 8.448 2.713 1.949 1.00 0.00 H new ATOM 288 N LYS A 19 3.555 8.391 4.207 1.00 0.00 N ATOM 289 CA LYS A 19 2.485 9.421 4.262 1.00 0.00 C ATOM 290 C LYS A 19 1.643 9.338 2.993 1.00 0.00 C ATOM 291 O LYS A 19 2.137 9.535 1.904 1.00 0.00 O ATOM 292 CB LYS A 19 3.228 10.756 4.312 1.00 0.00 C ATOM 293 CG LYS A 19 2.218 11.897 4.455 1.00 0.00 C ATOM 294 CD LYS A 19 2.946 13.239 4.354 1.00 0.00 C ATOM 295 CE LYS A 19 3.392 13.468 2.909 1.00 0.00 C ATOM 296 NZ LYS A 19 3.614 14.938 2.804 1.00 0.00 N ATOM 0 H LYS A 19 4.258 8.540 3.483 1.00 0.00 H new ATOM 0 HA LYS A 19 1.818 9.293 5.115 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.925 10.765 5.150 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.818 10.890 3.406 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.458 11.824 3.677 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.702 11.822 5.412 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.289 14.047 4.676 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.810 13.247 5.018 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.303 12.914 2.684 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.632 13.132 2.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.923 15.174 1.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.728 15.439 3.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.347 15.228 3.483 1.00 0.00 H new ATOM 310 N VAL A 20 0.381 9.052 3.104 1.00 0.00 N ATOM 311 CA VAL A 20 -0.444 8.970 1.871 1.00 0.00 C ATOM 312 C VAL A 20 -0.397 10.317 1.149 1.00 0.00 C ATOM 313 O VAL A 20 -0.702 11.351 1.708 1.00 0.00 O ATOM 314 CB VAL A 20 -1.863 8.651 2.344 1.00 0.00 C ATOM 315 CG1 VAL A 20 -2.771 8.431 1.131 1.00 0.00 C ATOM 316 CG2 VAL A 20 -1.843 7.380 3.197 1.00 0.00 C ATOM 0 H VAL A 20 -0.111 8.874 3.980 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.087 8.211 1.175 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.242 9.484 2.936 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.782 8.204 1.470 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.787 9.334 0.520 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.391 7.599 0.538 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.854 7.152 3.534 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.463 6.549 2.603 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.198 7.533 4.062 1.00 0.00 H new ATOM 326 N VAL A 21 -0.016 10.299 -0.092 1.00 0.00 N ATOM 327 CA VAL A 21 0.065 11.550 -0.884 1.00 0.00 C ATOM 328 C VAL A 21 -1.211 11.650 -1.710 1.00 0.00 C ATOM 329 O VAL A 21 -1.690 12.719 -2.034 1.00 0.00 O ATOM 330 CB VAL A 21 1.306 11.354 -1.759 1.00 0.00 C ATOM 331 CG1 VAL A 21 1.409 12.470 -2.797 1.00 0.00 C ATOM 332 CG2 VAL A 21 2.554 11.374 -0.873 1.00 0.00 C ATOM 0 H VAL A 21 0.247 9.455 -0.600 1.00 0.00 H new ATOM 0 HA VAL A 21 0.148 12.466 -0.298 1.00 0.00 H new ATOM 0 HB VAL A 21 1.227 10.398 -2.276 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.297 12.315 -3.411 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.523 12.460 -3.432 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.481 13.432 -2.290 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.441 11.235 -1.491 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.618 12.332 -0.356 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.493 10.570 -0.140 1.00 0.00 H new ATOM 342 N LYS A 22 -1.781 10.516 -2.008 1.00 0.00 N ATOM 343 CA LYS A 22 -3.055 10.478 -2.767 1.00 0.00 C ATOM 344 C LYS A 22 -3.758 9.153 -2.471 1.00 0.00 C ATOM 345 O LYS A 22 -3.152 8.090 -2.491 1.00 0.00 O ATOM 346 CB LYS A 22 -2.685 10.589 -4.239 1.00 0.00 C ATOM 347 CG LYS A 22 -3.924 10.303 -5.091 1.00 0.00 C ATOM 348 CD LYS A 22 -3.495 9.629 -6.394 1.00 0.00 C ATOM 349 CE LYS A 22 -4.636 9.709 -7.411 1.00 0.00 C ATOM 350 NZ LYS A 22 -4.078 10.486 -8.552 1.00 0.00 N ATOM 0 H LYS A 22 -1.409 9.601 -1.752 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.731 11.287 -2.491 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.302 11.586 -4.456 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.891 9.883 -4.481 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.614 9.660 -4.545 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -4.454 11.231 -5.305 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.605 10.116 -6.792 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.232 8.588 -6.208 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -4.954 8.715 -7.727 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -5.510 10.203 -6.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -4.802 10.584 -9.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.790 11.429 -8.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.251 9.988 -8.940 1.00 0.00 H new ATOM 364 N GLU A 23 -5.028 9.225 -2.183 1.00 0.00 N ATOM 365 CA GLU A 23 -5.812 8.002 -1.849 1.00 0.00 C ATOM 366 C GLU A 23 -5.619 6.913 -2.899 1.00 0.00 C ATOM 367 O GLU A 23 -5.181 7.162 -4.004 1.00 0.00 O ATOM 368 CB GLU A 23 -7.268 8.465 -1.820 1.00 0.00 C ATOM 369 CG GLU A 23 -8.069 7.570 -0.870 1.00 0.00 C ATOM 370 CD GLU A 23 -9.508 7.450 -1.375 1.00 0.00 C ATOM 371 OE1 GLU A 23 -9.847 8.153 -2.313 1.00 0.00 O ATOM 372 OE2 GLU A 23 -10.247 6.658 -0.815 1.00 0.00 O ATOM 0 H GLU A 23 -5.564 10.093 -2.165 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.494 7.568 -0.901 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.324 9.503 -1.493 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.694 8.423 -2.822 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.610 6.583 -0.809 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -8.059 7.989 0.136 1.00 0.00 H new ATOM 379 N ILE A 24 -5.948 5.701 -2.551 1.00 0.00 N ATOM 380 CA ILE A 24 -5.790 4.579 -3.513 1.00 0.00 C ATOM 381 C ILE A 24 -6.590 4.856 -4.787 1.00 0.00 C ATOM 382 O ILE A 24 -7.754 5.200 -4.745 1.00 0.00 O ATOM 383 CB ILE A 24 -6.325 3.335 -2.775 1.00 0.00 C ATOM 384 CG1 ILE A 24 -5.159 2.585 -2.137 1.00 0.00 C ATOM 385 CG2 ILE A 24 -7.031 2.388 -3.752 1.00 0.00 C ATOM 386 CD1 ILE A 24 -4.123 2.251 -3.216 1.00 0.00 C ATOM 0 H ILE A 24 -6.321 5.440 -1.638 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.754 4.442 -3.824 1.00 0.00 H new ATOM 0 HB ILE A 24 -7.033 3.665 -2.015 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.704 3.193 -1.355 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.515 1.671 -1.663 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -7.401 1.517 -3.211 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -7.867 2.906 -4.221 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -6.327 2.066 -4.520 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.288 1.715 -2.765 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.584 1.627 -3.982 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.760 3.173 -3.670 1.00 0.00 H new ATOM 398 N ALA A 25 -5.975 4.674 -5.916 1.00 0.00 N ATOM 399 CA ALA A 25 -6.688 4.886 -7.198 1.00 0.00 C ATOM 400 C ALA A 25 -6.912 3.524 -7.850 1.00 0.00 C ATOM 401 O ALA A 25 -6.289 2.557 -7.482 1.00 0.00 O ATOM 402 CB ALA A 25 -5.747 5.746 -8.040 1.00 0.00 C ATOM 0 H ALA A 25 -5.001 4.385 -6.006 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.659 5.368 -7.082 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.206 5.947 -9.008 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.557 6.688 -7.526 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.805 5.217 -8.188 1.00 0.00 H new ATOM 408 N GLU A 26 -7.789 3.416 -8.799 1.00 0.00 N ATOM 409 CA GLU A 26 -8.005 2.081 -9.419 1.00 0.00 C ATOM 410 C GLU A 26 -7.525 2.079 -10.867 1.00 0.00 C ATOM 411 O GLU A 26 -7.796 2.986 -11.628 1.00 0.00 O ATOM 412 CB GLU A 26 -9.508 1.837 -9.340 1.00 0.00 C ATOM 413 CG GLU A 26 -10.252 3.080 -9.822 1.00 0.00 C ATOM 414 CD GLU A 26 -10.801 3.847 -8.618 1.00 0.00 C ATOM 415 OE1 GLU A 26 -10.046 4.062 -7.684 1.00 0.00 O ATOM 416 OE2 GLU A 26 -11.966 4.207 -8.651 1.00 0.00 O ATOM 0 H GLU A 26 -8.358 4.177 -9.170 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.445 1.298 -8.908 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.780 0.977 -9.952 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -9.796 1.603 -8.315 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -9.581 3.718 -10.397 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.067 2.794 -10.486 1.00 0.00 H new ATOM 423 N THR A 27 -6.802 1.064 -11.247 1.00 0.00 N ATOM 424 CA THR A 27 -6.288 0.998 -12.645 1.00 0.00 C ATOM 425 C THR A 27 -7.243 0.189 -13.525 1.00 0.00 C ATOM 426 O THR A 27 -8.104 -0.519 -13.040 1.00 0.00 O ATOM 427 CB THR A 27 -4.935 0.291 -12.540 1.00 0.00 C ATOM 428 OG1 THR A 27 -5.147 -1.111 -12.465 1.00 0.00 O ATOM 429 CG2 THR A 27 -4.194 0.766 -11.283 1.00 0.00 C ATOM 0 H THR A 27 -6.544 0.277 -10.652 1.00 0.00 H new ATOM 0 HA THR A 27 -6.200 1.987 -13.095 1.00 0.00 H new ATOM 0 HB THR A 27 -4.333 0.527 -13.418 1.00 0.00 H new ATOM 0 HG1 THR A 27 -4.328 -1.550 -12.154 1.00 0.00 H new ATOM 0 HG21 THR A 27 -3.232 0.259 -11.214 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.033 1.843 -11.340 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.790 0.535 -10.400 1.00 0.00 H new ATOM 437 N GLN A 28 -7.092 0.288 -14.817 1.00 0.00 N ATOM 438 CA GLN A 28 -7.986 -0.477 -15.732 1.00 0.00 C ATOM 439 C GLN A 28 -7.536 -1.938 -15.808 1.00 0.00 C ATOM 440 O GLN A 28 -8.135 -2.749 -16.487 1.00 0.00 O ATOM 441 CB GLN A 28 -7.827 0.203 -17.092 1.00 0.00 C ATOM 442 CG GLN A 28 -6.342 0.285 -17.451 1.00 0.00 C ATOM 443 CD GLN A 28 -6.191 0.391 -18.970 1.00 0.00 C ATOM 444 OE1 GLN A 28 -6.812 -0.348 -19.708 1.00 0.00 O ATOM 445 NE2 GLN A 28 -5.384 1.287 -19.472 1.00 0.00 N ATOM 0 H GLN A 28 -6.389 0.865 -15.279 1.00 0.00 H new ATOM 0 HA GLN A 28 -9.022 -0.481 -15.394 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -8.366 -0.357 -17.856 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.261 1.202 -17.064 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -5.887 1.150 -16.968 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.818 -0.597 -17.083 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -4.862 1.908 -18.853 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -5.275 1.366 -20.483 1.00 0.00 H new ATOM 454 N HIS A 29 -6.483 -2.279 -15.118 1.00 0.00 N ATOM 455 CA HIS A 29 -5.990 -3.686 -15.150 1.00 0.00 C ATOM 456 C HIS A 29 -6.594 -4.488 -13.994 1.00 0.00 C ATOM 457 O HIS A 29 -6.271 -5.640 -13.791 1.00 0.00 O ATOM 458 CB HIS A 29 -4.475 -3.572 -14.985 1.00 0.00 C ATOM 459 CG HIS A 29 -3.789 -4.335 -16.084 1.00 0.00 C ATOM 460 ND1 HIS A 29 -2.420 -4.268 -16.286 1.00 0.00 N ATOM 461 CD2 HIS A 29 -4.270 -5.184 -17.048 1.00 0.00 C ATOM 462 CE1 HIS A 29 -2.126 -5.057 -17.336 1.00 0.00 C ATOM 463 NE2 HIS A 29 -3.218 -5.640 -17.839 1.00 0.00 N ATOM 0 H HIS A 29 -5.941 -1.643 -14.532 1.00 0.00 H new ATOM 0 HA HIS A 29 -6.267 -4.200 -16.070 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -4.174 -2.525 -15.013 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -4.174 -3.964 -14.014 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -5.307 -5.457 -17.175 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -1.129 -5.201 -17.725 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -3.270 -6.281 -18.631 1.00 0.00 H new ATOM 471 N GLY A 30 -7.462 -3.884 -13.231 1.00 0.00 N ATOM 472 CA GLY A 30 -8.077 -4.610 -12.085 1.00 0.00 C ATOM 473 C GLY A 30 -7.195 -4.422 -10.851 1.00 0.00 C ATOM 474 O GLY A 30 -7.183 -5.237 -9.950 1.00 0.00 O ATOM 0 H GLY A 30 -7.772 -2.920 -13.351 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.081 -4.230 -11.893 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.177 -5.670 -12.320 1.00 0.00 H new ATOM 478 N THR A 31 -6.452 -3.351 -10.812 1.00 0.00 N ATOM 479 CA THR A 31 -5.560 -3.097 -9.645 1.00 0.00 C ATOM 480 C THR A 31 -5.907 -1.762 -8.992 1.00 0.00 C ATOM 481 O THR A 31 -6.817 -1.070 -9.404 1.00 0.00 O ATOM 482 CB THR A 31 -4.146 -3.038 -10.228 1.00 0.00 C ATOM 483 OG1 THR A 31 -4.211 -3.067 -11.648 1.00 0.00 O ATOM 484 CG2 THR A 31 -3.346 -4.239 -9.733 1.00 0.00 C ATOM 0 H THR A 31 -6.424 -2.638 -11.541 1.00 0.00 H new ATOM 0 HA THR A 31 -5.662 -3.868 -8.881 1.00 0.00 H new ATOM 0 HB THR A 31 -3.661 -2.116 -9.908 1.00 0.00 H new ATOM 0 HG1 THR A 31 -3.321 -2.895 -12.020 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.338 -4.200 -10.146 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.293 -4.217 -8.645 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.835 -5.159 -10.054 1.00 0.00 H new ATOM 492 N ILE A 32 -5.167 -1.385 -7.991 1.00 0.00 N ATOM 493 CA ILE A 32 -5.421 -0.080 -7.318 1.00 0.00 C ATOM 494 C ILE A 32 -4.082 0.601 -7.080 1.00 0.00 C ATOM 495 O ILE A 32 -3.094 -0.041 -6.802 1.00 0.00 O ATOM 496 CB ILE A 32 -6.130 -0.358 -5.980 1.00 0.00 C ATOM 497 CG1 ILE A 32 -6.455 -1.848 -5.814 1.00 0.00 C ATOM 498 CG2 ILE A 32 -7.431 0.441 -5.941 1.00 0.00 C ATOM 499 CD1 ILE A 32 -6.659 -2.162 -4.330 1.00 0.00 C ATOM 0 H ILE A 32 -4.393 -1.926 -7.606 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.049 0.568 -7.929 1.00 0.00 H new ATOM 0 HB ILE A 32 -5.465 -0.063 -5.169 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -7.353 -2.100 -6.377 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.645 -2.455 -6.217 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -7.945 0.254 -4.998 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -7.208 1.504 -6.028 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -8.070 0.136 -6.769 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -6.890 -3.221 -4.210 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.749 -1.925 -3.779 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -7.484 -1.565 -3.942 1.00 0.00 H new ATOM 511 N VAL A 33 -4.035 1.888 -7.220 1.00 0.00 N ATOM 512 CA VAL A 33 -2.743 2.605 -7.050 1.00 0.00 C ATOM 513 C VAL A 33 -2.717 3.460 -5.783 1.00 0.00 C ATOM 514 O VAL A 33 -3.634 4.203 -5.502 1.00 0.00 O ATOM 515 CB VAL A 33 -2.664 3.488 -8.286 1.00 0.00 C ATOM 516 CG1 VAL A 33 -1.548 4.514 -8.110 1.00 0.00 C ATOM 517 CG2 VAL A 33 -2.382 2.613 -9.509 1.00 0.00 C ATOM 0 H VAL A 33 -4.835 2.480 -7.445 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.905 1.916 -6.947 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.609 4.013 -8.427 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.492 5.146 -8.996 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.756 5.131 -7.236 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.598 3.998 -7.972 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.324 3.240 -10.399 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.436 2.090 -9.371 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.185 1.886 -9.629 1.00 0.00 H new ATOM 527 N ILE A 34 -1.652 3.378 -5.028 1.00 0.00 N ATOM 528 CA ILE A 34 -1.545 4.199 -3.799 1.00 0.00 C ATOM 529 C ILE A 34 -0.348 5.134 -3.904 1.00 0.00 C ATOM 530 O ILE A 34 0.778 4.705 -4.019 1.00 0.00 O ATOM 531 CB ILE A 34 -1.383 3.197 -2.648 1.00 0.00 C ATOM 532 CG1 ILE A 34 -2.205 3.705 -1.482 1.00 0.00 C ATOM 533 CG2 ILE A 34 0.086 3.065 -2.211 1.00 0.00 C ATOM 534 CD1 ILE A 34 -1.532 4.943 -0.899 1.00 0.00 C ATOM 0 H ILE A 34 -0.852 2.774 -5.216 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.419 4.831 -3.641 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.717 2.214 -2.979 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.216 3.946 -1.811 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.294 2.931 -0.719 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.160 2.347 -1.394 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.686 2.720 -3.053 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.454 4.035 -1.876 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.119 5.314 -0.059 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.530 4.685 -0.556 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.466 5.716 -1.665 1.00 0.00 H new ATOM 546 N ARG A 35 -0.581 6.405 -3.847 1.00 0.00 N ATOM 547 CA ARG A 35 0.554 7.354 -3.932 1.00 0.00 C ATOM 548 C ARG A 35 0.865 7.848 -2.523 1.00 0.00 C ATOM 549 O ARG A 35 0.008 8.363 -1.832 1.00 0.00 O ATOM 550 CB ARG A 35 0.057 8.462 -4.869 1.00 0.00 C ATOM 551 CG ARG A 35 0.547 9.836 -4.400 1.00 0.00 C ATOM 552 CD ARG A 35 0.528 10.814 -5.578 1.00 0.00 C ATOM 553 NE ARG A 35 1.938 10.870 -6.054 1.00 0.00 N ATOM 554 CZ ARG A 35 2.336 11.857 -6.813 1.00 0.00 C ATOM 555 NH1 ARG A 35 1.499 12.798 -7.160 1.00 0.00 N ATOM 556 NH2 ARG A 35 3.573 11.901 -7.228 1.00 0.00 N ATOM 0 H ARG A 35 -1.503 6.830 -3.746 1.00 0.00 H new ATOM 0 HA ARG A 35 1.480 6.930 -4.319 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.410 8.272 -5.883 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.032 8.453 -4.904 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.089 10.206 -3.596 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.556 9.756 -3.996 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.141 10.470 -6.366 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.176 11.798 -5.268 1.00 0.00 H new ATOM 0 HE ARG A 35 2.595 10.137 -5.787 1.00 0.00 H new ATOM 0 HH11 ARG A 35 0.532 12.764 -6.839 1.00 0.00 H new ATOM 0 HH12 ARG A 35 1.813 13.567 -7.752 1.00 0.00 H new ATOM 0 HH21 ARG A 35 4.227 11.166 -6.960 1.00 0.00 H new ATOM 0 HH22 ARG A 35 3.885 12.670 -7.820 1.00 0.00 H new ATOM 570 N VAL A 36 2.075 7.673 -2.079 1.00 0.00 N ATOM 571 CA VAL A 36 2.422 8.103 -0.715 1.00 0.00 C ATOM 572 C VAL A 36 3.866 8.516 -0.691 1.00 0.00 C ATOM 573 O VAL A 36 4.636 8.182 -1.556 1.00 0.00 O ATOM 574 CB VAL A 36 2.170 6.886 0.186 1.00 0.00 C ATOM 575 CG1 VAL A 36 0.920 6.143 -0.286 1.00 0.00 C ATOM 576 CG2 VAL A 36 3.371 5.935 0.134 1.00 0.00 C ATOM 0 H VAL A 36 2.836 7.249 -2.609 1.00 0.00 H new ATOM 0 HA VAL A 36 1.832 8.954 -0.375 1.00 0.00 H new ATOM 0 HB VAL A 36 2.027 7.231 1.210 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.745 5.280 0.357 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.060 6.811 -0.238 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.062 5.808 -1.313 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.182 5.075 0.777 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.523 5.596 -0.891 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.264 6.457 0.479 1.00 0.00 H new ATOM 586 N GLN A 37 4.236 9.244 0.285 1.00 0.00 N ATOM 587 CA GLN A 37 5.623 9.692 0.364 1.00 0.00 C ATOM 588 C GLN A 37 6.323 8.910 1.465 1.00 0.00 C ATOM 589 O GLN A 37 5.872 8.869 2.593 1.00 0.00 O ATOM 590 CB GLN A 37 5.467 11.156 0.712 1.00 0.00 C ATOM 591 CG GLN A 37 6.830 11.851 0.699 1.00 0.00 C ATOM 592 CD GLN A 37 7.179 12.319 2.113 1.00 0.00 C ATOM 593 OE1 GLN A 37 6.581 13.368 2.607 1.00 0.00 O flip ATOM 594 NE2 GLN A 37 8.005 11.723 2.776 1.00 0.00 N flip ATOM 0 H GLN A 37 3.632 9.555 1.045 1.00 0.00 H new ATOM 0 HA GLN A 37 6.217 9.545 -0.538 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.798 11.638 -0.002 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.009 11.256 1.696 1.00 0.00 H new ATOM 0 HG2 GLN A 37 7.595 11.167 0.332 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.810 12.702 0.018 1.00 0.00 H new ATOM 0 HE21 GLN A 37 8.473 10.903 2.391 1.00 0.00 H new ATOM 0 HE22 GLN A 37 8.230 12.043 3.718 1.00 0.00 H new ATOM 603 N TYR A 38 7.402 8.264 1.149 1.00 0.00 N ATOM 604 CA TYR A 38 8.094 7.460 2.193 1.00 0.00 C ATOM 605 C TYR A 38 8.553 8.359 3.342 1.00 0.00 C ATOM 606 O TYR A 38 9.247 9.331 3.145 1.00 0.00 O ATOM 607 CB TYR A 38 9.297 6.828 1.489 1.00 0.00 C ATOM 608 CG TYR A 38 10.172 6.133 2.509 1.00 0.00 C ATOM 609 CD1 TYR A 38 9.624 5.700 3.723 1.00 0.00 C ATOM 610 CD2 TYR A 38 11.531 5.927 2.244 1.00 0.00 C ATOM 611 CE1 TYR A 38 10.433 5.063 4.671 1.00 0.00 C ATOM 612 CE2 TYR A 38 12.340 5.289 3.192 1.00 0.00 C ATOM 613 CZ TYR A 38 11.791 4.858 4.406 1.00 0.00 C ATOM 614 OH TYR A 38 12.589 4.230 5.340 1.00 0.00 O ATOM 0 H TYR A 38 7.834 8.254 0.225 1.00 0.00 H new ATOM 0 HA TYR A 38 7.438 6.705 2.626 1.00 0.00 H new ATOM 0 HB2 TYR A 38 8.958 6.114 0.738 1.00 0.00 H new ATOM 0 HB3 TYR A 38 9.869 7.594 0.965 1.00 0.00 H new ATOM 0 HD1 TYR A 38 8.575 5.858 3.928 1.00 0.00 H new ATOM 0 HD2 TYR A 38 11.955 6.260 1.308 1.00 0.00 H new ATOM 0 HE1 TYR A 38 10.009 4.730 5.607 1.00 0.00 H new ATOM 0 HE2 TYR A 38 13.388 5.129 2.987 1.00 0.00 H new ATOM 0 HH TYR A 38 12.574 4.738 6.178 1.00 0.00 H new ATOM 624 N GLU A 39 8.171 8.040 4.545 1.00 0.00 N ATOM 625 CA GLU A 39 8.596 8.871 5.705 1.00 0.00 C ATOM 626 C GLU A 39 9.804 8.216 6.377 1.00 0.00 C ATOM 627 O GLU A 39 10.597 7.561 5.731 1.00 0.00 O ATOM 628 CB GLU A 39 7.395 8.890 6.651 1.00 0.00 C ATOM 629 CG GLU A 39 6.168 9.422 5.908 1.00 0.00 C ATOM 630 CD GLU A 39 6.159 10.951 5.966 1.00 0.00 C ATOM 631 OE1 GLU A 39 6.470 11.486 7.018 1.00 0.00 O ATOM 632 OE2 GLU A 39 5.841 11.561 4.959 1.00 0.00 O ATOM 0 H GLU A 39 7.583 7.240 4.776 1.00 0.00 H new ATOM 0 HA GLU A 39 8.888 9.881 5.416 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.199 7.886 7.027 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.610 9.518 7.516 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.184 9.087 4.871 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.257 9.025 6.357 1.00 0.00 H new ATOM 639 N GLY A 40 9.950 8.375 7.662 1.00 0.00 N ATOM 640 CA GLY A 40 11.108 7.745 8.354 1.00 0.00 C ATOM 641 C GLY A 40 12.376 7.960 7.533 1.00 0.00 C ATOM 642 O GLY A 40 12.554 8.977 6.893 1.00 0.00 O ATOM 0 H GLY A 40 9.321 8.911 8.261 1.00 0.00 H new ATOM 0 HA2 GLY A 40 11.229 8.176 9.348 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.927 6.679 8.489 1.00 0.00 H new ATOM 646 N ASP A 41 13.254 7.004 7.552 1.00 0.00 N ATOM 647 CA ASP A 41 14.522 7.135 6.776 1.00 0.00 C ATOM 648 C ASP A 41 14.808 5.841 6.012 1.00 0.00 C ATOM 649 O ASP A 41 14.543 4.757 6.492 1.00 0.00 O ATOM 650 CB ASP A 41 15.606 7.388 7.825 1.00 0.00 C ATOM 651 CG ASP A 41 16.511 8.529 7.359 1.00 0.00 C ATOM 652 OD1 ASP A 41 16.083 9.669 7.441 1.00 0.00 O ATOM 653 OD2 ASP A 41 17.615 8.244 6.926 1.00 0.00 O ATOM 0 H ASP A 41 13.153 6.132 8.072 1.00 0.00 H new ATOM 0 HA ASP A 41 14.474 7.937 6.039 1.00 0.00 H new ATOM 0 HB2 ASP A 41 15.149 7.640 8.782 1.00 0.00 H new ATOM 0 HB3 ASP A 41 16.194 6.484 7.981 1.00 0.00 H new ATOM 658 N GLY A 42 15.347 5.940 4.826 1.00 0.00 N ATOM 659 CA GLY A 42 15.640 4.703 4.050 1.00 0.00 C ATOM 660 C GLY A 42 16.266 5.043 2.692 1.00 0.00 C ATOM 661 O GLY A 42 16.971 4.238 2.118 1.00 0.00 O ATOM 0 H GLY A 42 15.595 6.816 4.366 1.00 0.00 H new ATOM 0 HA2 GLY A 42 16.318 4.065 4.618 1.00 0.00 H new ATOM 0 HA3 GLY A 42 14.721 4.137 3.899 1.00 0.00 H new ATOM 665 N SER A 43 16.019 6.212 2.162 1.00 0.00 N ATOM 666 CA SER A 43 16.615 6.544 0.840 1.00 0.00 C ATOM 667 C SER A 43 16.186 5.464 -0.167 1.00 0.00 C ATOM 668 O SER A 43 15.184 4.822 0.042 1.00 0.00 O ATOM 669 CB SER A 43 18.114 6.517 1.115 1.00 0.00 C ATOM 670 OG SER A 43 18.764 7.502 0.323 1.00 0.00 O ATOM 0 H SER A 43 15.440 6.939 2.581 1.00 0.00 H new ATOM 0 HA SER A 43 16.307 7.501 0.420 1.00 0.00 H new ATOM 0 HB2 SER A 43 18.303 6.704 2.172 1.00 0.00 H new ATOM 0 HB3 SER A 43 18.517 5.530 0.888 1.00 0.00 H new ATOM 0 HG SER A 43 19.727 7.483 0.503 1.00 0.00 H new ATOM 676 N PRO A 44 16.936 5.272 -1.223 1.00 0.00 N ATOM 677 CA PRO A 44 16.558 4.232 -2.205 1.00 0.00 C ATOM 678 C PRO A 44 16.241 2.923 -1.472 1.00 0.00 C ATOM 679 O PRO A 44 17.114 2.127 -1.191 1.00 0.00 O ATOM 680 CB PRO A 44 17.792 4.101 -3.092 1.00 0.00 C ATOM 681 CG PRO A 44 18.499 5.413 -2.965 1.00 0.00 C ATOM 682 CD PRO A 44 18.162 5.970 -1.606 1.00 0.00 C ATOM 0 HA PRO A 44 15.669 4.477 -2.786 1.00 0.00 H new ATOM 0 HB2 PRO A 44 18.427 3.277 -2.766 1.00 0.00 H new ATOM 0 HB3 PRO A 44 17.515 3.900 -4.127 1.00 0.00 H new ATOM 0 HG2 PRO A 44 19.576 5.282 -3.071 1.00 0.00 H new ATOM 0 HG3 PRO A 44 18.183 6.098 -3.751 1.00 0.00 H new ATOM 0 HD2 PRO A 44 18.964 5.787 -0.891 1.00 0.00 H new ATOM 0 HD3 PRO A 44 18.010 7.049 -1.645 1.00 0.00 H new ATOM 690 N CYS A 45 14.992 2.707 -1.150 1.00 0.00 N ATOM 691 CA CYS A 45 14.602 1.465 -0.428 1.00 0.00 C ATOM 692 C CYS A 45 13.239 0.968 -0.919 1.00 0.00 C ATOM 693 O CYS A 45 12.529 1.662 -1.621 1.00 0.00 O ATOM 694 CB CYS A 45 14.534 1.857 1.051 1.00 0.00 C ATOM 695 SG CYS A 45 13.407 3.253 1.298 1.00 0.00 S ATOM 0 H CYS A 45 14.223 3.343 -1.359 1.00 0.00 H new ATOM 0 HA CYS A 45 15.312 0.656 -0.597 1.00 0.00 H new ATOM 0 HB2 CYS A 45 14.199 1.005 1.642 1.00 0.00 H new ATOM 0 HB3 CYS A 45 15.530 2.121 1.408 1.00 0.00 H new ATOM 700 N LYS A 46 12.873 -0.233 -0.564 1.00 0.00 N ATOM 701 CA LYS A 46 11.564 -0.782 -1.029 1.00 0.00 C ATOM 702 C LYS A 46 10.428 -0.354 -0.106 1.00 0.00 C ATOM 703 O LYS A 46 10.619 -0.037 1.044 1.00 0.00 O ATOM 704 CB LYS A 46 11.734 -2.301 -0.999 1.00 0.00 C ATOM 705 CG LYS A 46 12.429 -2.780 -2.274 1.00 0.00 C ATOM 706 CD LYS A 46 12.461 -4.308 -2.292 1.00 0.00 C ATOM 707 CE LYS A 46 12.903 -4.793 -3.674 1.00 0.00 C ATOM 708 NZ LYS A 46 14.375 -4.567 -3.708 1.00 0.00 N ATOM 0 H LYS A 46 13.421 -0.858 0.027 1.00 0.00 H new ATOM 0 HA LYS A 46 11.306 -0.415 -2.023 1.00 0.00 H new ATOM 0 HB2 LYS A 46 12.319 -2.592 -0.126 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.760 -2.781 -0.905 1.00 0.00 H new ATOM 0 HG2 LYS A 46 11.901 -2.406 -3.151 1.00 0.00 H new ATOM 0 HG3 LYS A 46 13.443 -2.384 -2.319 1.00 0.00 H new ATOM 0 HD2 LYS A 46 13.146 -4.677 -1.529 1.00 0.00 H new ATOM 0 HD3 LYS A 46 11.475 -4.706 -2.054 1.00 0.00 H new ATOM 0 HE2 LYS A 46 12.662 -5.846 -3.819 1.00 0.00 H new ATOM 0 HE3 LYS A 46 12.400 -4.239 -4.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 14.616 -3.971 -4.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 14.673 -4.091 -2.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 14.865 -5.481 -3.790 1.00 0.00 H new ATOM 722 N ILE A 47 9.243 -0.321 -0.632 1.00 0.00 N ATOM 723 CA ILE A 47 8.075 0.128 0.167 1.00 0.00 C ATOM 724 C ILE A 47 7.233 -1.053 0.655 1.00 0.00 C ATOM 725 O ILE A 47 6.754 -1.847 -0.130 1.00 0.00 O ATOM 726 CB ILE A 47 7.281 0.987 -0.816 1.00 0.00 C ATOM 727 CG1 ILE A 47 8.259 1.866 -1.604 1.00 0.00 C ATOM 728 CG2 ILE A 47 6.289 1.867 -0.055 1.00 0.00 C ATOM 729 CD1 ILE A 47 9.019 2.766 -0.634 1.00 0.00 C ATOM 0 H ILE A 47 9.029 -0.589 -1.593 1.00 0.00 H new ATOM 0 HA ILE A 47 8.371 0.663 1.069 1.00 0.00 H new ATOM 0 HB ILE A 47 6.725 0.346 -1.501 1.00 0.00 H new ATOM 0 HG12 ILE A 47 8.957 1.243 -2.163 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.718 2.471 -2.332 1.00 0.00 H new ATOM 0 HG21 ILE A 47 5.727 2.477 -0.762 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.601 1.237 0.508 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.831 2.516 0.632 1.00 0.00 H new ATOM 0 HD11 ILE A 47 9.716 3.393 -1.190 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.313 3.398 -0.095 1.00 0.00 H new ATOM 0 HD13 ILE A 47 9.571 2.151 0.076 1.00 0.00 H new ATOM 741 N PRO A 48 7.069 -1.111 1.949 1.00 0.00 N ATOM 742 CA PRO A 48 6.260 -2.184 2.579 1.00 0.00 C ATOM 743 C PRO A 48 4.813 -2.117 2.093 1.00 0.00 C ATOM 744 O PRO A 48 4.298 -1.060 1.782 1.00 0.00 O ATOM 745 CB PRO A 48 6.319 -1.851 4.062 1.00 0.00 C ATOM 746 CG PRO A 48 7.528 -0.992 4.216 1.00 0.00 C ATOM 747 CD PRO A 48 7.620 -0.196 2.950 1.00 0.00 C ATOM 0 HA PRO A 48 6.628 -3.183 2.344 1.00 0.00 H new ATOM 0 HB2 PRO A 48 5.419 -1.328 4.385 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.397 -2.754 4.667 1.00 0.00 H new ATOM 0 HG2 PRO A 48 7.437 -0.339 5.084 1.00 0.00 H new ATOM 0 HG3 PRO A 48 8.422 -1.597 4.365 1.00 0.00 H new ATOM 0 HD2 PRO A 48 7.046 0.729 3.011 1.00 0.00 H new ATOM 0 HD3 PRO A 48 8.649 0.082 2.721 1.00 0.00 H new ATOM 755 N PHE A 49 4.156 -3.235 2.026 1.00 0.00 N ATOM 756 CA PHE A 49 2.752 -3.252 1.560 1.00 0.00 C ATOM 757 C PHE A 49 2.054 -4.525 2.037 1.00 0.00 C ATOM 758 O PHE A 49 2.687 -5.532 2.286 1.00 0.00 O ATOM 759 CB PHE A 49 2.885 -3.261 0.054 1.00 0.00 C ATOM 760 CG PHE A 49 1.610 -2.742 -0.572 1.00 0.00 C ATOM 761 CD1 PHE A 49 0.460 -3.541 -0.581 1.00 0.00 C ATOM 762 CD2 PHE A 49 1.575 -1.462 -1.139 1.00 0.00 C ATOM 763 CE1 PHE A 49 -0.723 -3.061 -1.155 1.00 0.00 C ATOM 764 CE2 PHE A 49 0.393 -0.982 -1.713 1.00 0.00 C ATOM 765 CZ PHE A 49 -0.757 -1.782 -1.721 1.00 0.00 C ATOM 0 H PHE A 49 4.538 -4.147 2.277 1.00 0.00 H new ATOM 0 HA PHE A 49 2.164 -2.414 1.934 1.00 0.00 H new ATOM 0 HB2 PHE A 49 3.729 -2.642 -0.250 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.089 -4.273 -0.297 1.00 0.00 H new ATOM 0 HD1 PHE A 49 0.486 -4.529 -0.145 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.461 -0.845 -1.133 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.609 -3.678 -1.161 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.367 0.005 -2.150 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.670 -1.411 -2.164 1.00 0.00 H new ATOM 775 N GLU A 50 0.758 -4.494 2.158 1.00 0.00 N ATOM 776 CA GLU A 50 0.032 -5.710 2.613 1.00 0.00 C ATOM 777 C GLU A 50 -1.475 -5.444 2.620 1.00 0.00 C ATOM 778 O GLU A 50 -1.986 -4.739 3.467 1.00 0.00 O ATOM 779 CB GLU A 50 0.550 -5.970 4.028 1.00 0.00 C ATOM 780 CG GLU A 50 -0.067 -7.259 4.571 1.00 0.00 C ATOM 781 CD GLU A 50 0.997 -8.359 4.602 1.00 0.00 C ATOM 782 OE1 GLU A 50 1.429 -8.768 3.538 1.00 0.00 O ATOM 783 OE2 GLU A 50 1.361 -8.772 5.691 1.00 0.00 O ATOM 0 H GLU A 50 0.172 -3.683 1.962 1.00 0.00 H new ATOM 0 HA GLU A 50 0.197 -6.568 1.961 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.637 -6.051 4.019 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.298 -5.132 4.678 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -0.462 -7.092 5.573 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.905 -7.566 3.945 1.00 0.00 H new ATOM 790 N ILE A 51 -2.188 -6.001 1.680 1.00 0.00 N ATOM 791 CA ILE A 51 -3.661 -5.778 1.630 1.00 0.00 C ATOM 792 C ILE A 51 -4.370 -6.711 2.620 1.00 0.00 C ATOM 793 O ILE A 51 -5.579 -6.830 2.623 1.00 0.00 O ATOM 794 CB ILE A 51 -4.056 -6.092 0.181 1.00 0.00 C ATOM 795 CG1 ILE A 51 -3.749 -4.875 -0.699 1.00 0.00 C ATOM 796 CG2 ILE A 51 -5.554 -6.402 0.103 1.00 0.00 C ATOM 797 CD1 ILE A 51 -3.047 -5.326 -1.984 1.00 0.00 C ATOM 0 H ILE A 51 -1.815 -6.601 0.944 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.944 -4.763 1.910 1.00 0.00 H new ATOM 0 HB ILE A 51 -3.491 -6.957 -0.166 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -4.672 -4.350 -0.944 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -3.117 -4.173 -0.156 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -5.826 -6.624 -0.929 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -5.780 -7.263 0.731 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -6.123 -5.540 0.451 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.831 -4.457 -2.605 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -2.115 -5.831 -1.731 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -3.695 -6.011 -2.531 1.00 0.00 H new ATOM 970 N GLY A 61 -5.465 -10.039 -1.449 1.00 0.00 N ATOM 971 CA GLY A 61 -5.166 -9.080 -2.549 1.00 0.00 C ATOM 972 C GLY A 61 -3.814 -9.426 -3.176 1.00 0.00 C ATOM 973 O GLY A 61 -3.289 -10.506 -2.986 1.00 0.00 O ATOM 0 HA2 GLY A 61 -5.950 -9.121 -3.305 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.149 -8.061 -2.163 1.00 0.00 H new ATOM 977 N ARG A 62 -3.246 -8.519 -3.923 1.00 0.00 N ATOM 978 CA ARG A 62 -1.931 -8.791 -4.562 1.00 0.00 C ATOM 979 C ARG A 62 -1.258 -7.477 -4.924 1.00 0.00 C ATOM 980 O ARG A 62 -1.878 -6.433 -4.920 1.00 0.00 O ATOM 981 CB ARG A 62 -2.258 -9.573 -5.828 1.00 0.00 C ATOM 982 CG ARG A 62 -1.409 -10.843 -5.873 1.00 0.00 C ATOM 983 CD ARG A 62 -0.405 -10.745 -7.024 1.00 0.00 C ATOM 984 NE ARG A 62 -0.009 -12.152 -7.310 1.00 0.00 N ATOM 985 CZ ARG A 62 -0.862 -12.975 -7.860 1.00 0.00 C ATOM 986 NH1 ARG A 62 -2.064 -12.568 -8.164 1.00 0.00 N ATOM 987 NH2 ARG A 62 -0.510 -14.207 -8.106 1.00 0.00 N ATOM 0 H ARG A 62 -3.639 -7.598 -4.118 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.257 -9.340 -3.905 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.317 -9.829 -5.847 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -2.063 -8.960 -6.708 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -0.883 -10.975 -4.928 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -2.048 -11.716 -6.007 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -0.853 -10.275 -7.900 1.00 0.00 H new ATOM 0 HD3 ARG A 62 0.458 -10.141 -6.745 1.00 0.00 H new ATOM 0 HE ARG A 62 0.930 -12.474 -7.076 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -2.340 -11.605 -7.972 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -2.727 -13.213 -8.593 1.00 0.00 H new ATOM 0 HH21 ARG A 62 0.429 -14.526 -7.869 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -1.174 -14.851 -8.535 1.00 0.00 H new ATOM 1001 N LEU A 63 0.001 -7.508 -5.244 1.00 0.00 N ATOM 1002 CA LEU A 63 0.676 -6.243 -5.605 1.00 0.00 C ATOM 1003 C LEU A 63 1.290 -6.327 -7.001 1.00 0.00 C ATOM 1004 O LEU A 63 2.108 -7.180 -7.286 1.00 0.00 O ATOM 1005 CB LEU A 63 1.759 -6.042 -4.549 1.00 0.00 C ATOM 1006 CG LEU A 63 1.197 -5.197 -3.406 1.00 0.00 C ATOM 1007 CD1 LEU A 63 2.253 -5.055 -2.317 1.00 0.00 C ATOM 1008 CD2 LEU A 63 0.826 -3.806 -3.920 1.00 0.00 C ATOM 0 H LEU A 63 0.584 -8.345 -5.271 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.026 -5.409 -5.629 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.098 -7.006 -4.171 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.626 -5.549 -4.989 1.00 0.00 H new ATOM 0 HG LEU A 63 0.309 -5.686 -3.005 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.855 -4.453 -1.500 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.523 -6.042 -1.942 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.137 -4.569 -2.729 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.426 -3.210 -3.100 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.713 -3.319 -4.324 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.073 -3.896 -4.703 1.00 0.00 H new ATOM 1020 N ILE A 64 0.921 -5.421 -7.861 1.00 0.00 N ATOM 1021 CA ILE A 64 1.499 -5.408 -9.231 1.00 0.00 C ATOM 1022 C ILE A 64 2.804 -4.632 -9.151 1.00 0.00 C ATOM 1023 O ILE A 64 3.745 -4.860 -9.884 1.00 0.00 O ATOM 1024 CB ILE A 64 0.475 -4.664 -10.091 1.00 0.00 C ATOM 1025 CG1 ILE A 64 -0.729 -5.569 -10.377 1.00 0.00 C ATOM 1026 CG2 ILE A 64 1.124 -4.253 -11.414 1.00 0.00 C ATOM 1027 CD1 ILE A 64 -1.329 -6.071 -9.063 1.00 0.00 C ATOM 0 H ILE A 64 0.240 -4.685 -7.672 1.00 0.00 H new ATOM 0 HA ILE A 64 1.699 -6.397 -9.643 1.00 0.00 H new ATOM 0 HB ILE A 64 0.137 -3.778 -9.554 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.481 -5.020 -10.943 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.421 -6.414 -10.992 1.00 0.00 H new ATOM 0 HG21 ILE A 64 0.395 -3.723 -12.027 1.00 0.00 H new ATOM 0 HG22 ILE A 64 1.974 -3.600 -11.215 1.00 0.00 H new ATOM 0 HG23 ILE A 64 1.466 -5.142 -11.944 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -2.184 -6.713 -9.275 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.578 -6.637 -8.513 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.654 -5.221 -8.463 1.00 0.00 H new ATOM 1039 N THR A 65 2.848 -3.724 -8.219 1.00 0.00 N ATOM 1040 CA THR A 65 4.058 -2.903 -7.992 1.00 0.00 C ATOM 1041 C THR A 65 4.819 -3.513 -6.812 1.00 0.00 C ATOM 1042 O THR A 65 5.404 -2.835 -5.991 1.00 0.00 O ATOM 1043 CB THR A 65 3.485 -1.523 -7.660 1.00 0.00 C ATOM 1044 OG1 THR A 65 3.151 -0.849 -8.865 1.00 0.00 O ATOM 1045 CG2 THR A 65 4.494 -0.695 -6.880 1.00 0.00 C ATOM 0 H THR A 65 2.072 -3.515 -7.591 1.00 0.00 H new ATOM 0 HA THR A 65 4.755 -2.851 -8.829 1.00 0.00 H new ATOM 0 HB THR A 65 2.593 -1.653 -7.047 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.246 0.118 -8.736 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.066 0.282 -6.654 1.00 0.00 H new ATOM 0 HG22 THR A 65 4.742 -1.206 -5.950 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.398 -0.567 -7.476 1.00 0.00 H new ATOM 1053 N VAL A 66 4.785 -4.811 -6.727 1.00 0.00 N ATOM 1054 CA VAL A 66 5.467 -5.523 -5.609 1.00 0.00 C ATOM 1055 C VAL A 66 6.790 -4.853 -5.253 1.00 0.00 C ATOM 1056 O VAL A 66 7.433 -4.232 -6.077 1.00 0.00 O ATOM 1057 CB VAL A 66 5.710 -6.941 -6.127 1.00 0.00 C ATOM 1058 CG1 VAL A 66 6.677 -7.672 -5.191 1.00 0.00 C ATOM 1059 CG2 VAL A 66 4.380 -7.697 -6.171 1.00 0.00 C ATOM 0 H VAL A 66 4.308 -5.419 -7.393 1.00 0.00 H new ATOM 0 HA VAL A 66 4.863 -5.512 -4.701 1.00 0.00 H new ATOM 0 HB VAL A 66 6.141 -6.893 -7.127 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.849 -8.682 -5.562 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.624 -7.133 -5.153 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.248 -7.721 -4.190 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.549 -8.709 -6.540 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.954 -7.742 -5.169 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.689 -7.179 -6.836 1.00 0.00 H new ATOM 1069 N ASN A 67 7.195 -4.990 -4.023 1.00 0.00 N ATOM 1070 CA ASN A 67 8.477 -4.387 -3.568 1.00 0.00 C ATOM 1071 C ASN A 67 8.720 -3.021 -4.220 1.00 0.00 C ATOM 1072 O ASN A 67 9.775 -2.780 -4.773 1.00 0.00 O ATOM 1073 CB ASN A 67 9.552 -5.394 -3.990 1.00 0.00 C ATOM 1074 CG ASN A 67 9.565 -5.541 -5.515 1.00 0.00 C ATOM 1075 OD1 ASN A 67 9.404 -6.722 -6.046 1.00 0.00 O flip ATOM 1076 ND2 ASN A 67 9.730 -4.574 -6.231 1.00 0.00 N flip ATOM 0 H ASN A 67 6.685 -5.502 -3.303 1.00 0.00 H new ATOM 0 HA ASN A 67 8.479 -4.204 -2.493 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.530 -5.062 -3.640 1.00 0.00 H new ATOM 0 HB3 ASN A 67 9.358 -6.361 -3.525 1.00 0.00 H new ATOM 0 HD21 ASN A 67 9.856 -3.650 -5.819 1.00 0.00 H new ATOM 0 HD22 ASN A 67 9.742 -4.686 -7.245 1.00 0.00 H new ATOM 1083 N PRO A 68 7.744 -2.157 -4.115 1.00 0.00 N ATOM 1084 CA PRO A 68 7.890 -0.802 -4.689 1.00 0.00 C ATOM 1085 C PRO A 68 9.083 -0.124 -4.023 1.00 0.00 C ATOM 1086 O PRO A 68 9.541 -0.573 -2.997 1.00 0.00 O ATOM 1087 CB PRO A 68 6.584 -0.083 -4.351 1.00 0.00 C ATOM 1088 CG PRO A 68 5.743 -1.041 -3.554 1.00 0.00 C ATOM 1089 CD PRO A 68 6.454 -2.367 -3.460 1.00 0.00 C ATOM 0 HA PRO A 68 8.066 -0.801 -5.765 1.00 0.00 H new ATOM 0 HB2 PRO A 68 6.781 0.824 -3.779 1.00 0.00 H new ATOM 0 HB3 PRO A 68 6.065 0.220 -5.260 1.00 0.00 H new ATOM 0 HG2 PRO A 68 5.562 -0.641 -2.556 1.00 0.00 H new ATOM 0 HG3 PRO A 68 4.770 -1.170 -4.028 1.00 0.00 H new ATOM 0 HD2 PRO A 68 6.584 -2.671 -2.421 1.00 0.00 H new ATOM 0 HD3 PRO A 68 5.885 -3.155 -3.954 1.00 0.00 H new ATOM 1097 N ILE A 69 9.612 0.932 -4.590 1.00 0.00 N ATOM 1098 CA ILE A 69 10.802 1.572 -3.952 1.00 0.00 C ATOM 1099 C ILE A 69 10.797 3.094 -4.086 1.00 0.00 C ATOM 1100 O ILE A 69 10.369 3.648 -5.079 1.00 0.00 O ATOM 1101 CB ILE A 69 12.002 1.029 -4.730 1.00 0.00 C ATOM 1102 CG1 ILE A 69 12.074 -0.502 -4.572 1.00 0.00 C ATOM 1103 CG2 ILE A 69 13.285 1.705 -4.215 1.00 0.00 C ATOM 1104 CD1 ILE A 69 13.472 -0.944 -4.111 1.00 0.00 C ATOM 0 H ILE A 69 9.280 1.371 -5.449 1.00 0.00 H new ATOM 0 HA ILE A 69 10.818 1.350 -2.885 1.00 0.00 H new ATOM 0 HB ILE A 69 11.894 1.253 -5.791 1.00 0.00 H new ATOM 0 HG12 ILE A 69 11.328 -0.832 -3.849 1.00 0.00 H new ATOM 0 HG13 ILE A 69 11.832 -0.981 -5.521 1.00 0.00 H new ATOM 0 HG21 ILE A 69 14.144 1.322 -4.766 1.00 0.00 H new ATOM 0 HG22 ILE A 69 13.212 2.783 -4.360 1.00 0.00 H new ATOM 0 HG23 ILE A 69 13.409 1.490 -3.154 1.00 0.00 H new ATOM 0 HD11 ILE A 69 13.495 -2.029 -4.007 1.00 0.00 H new ATOM 0 HD12 ILE A 69 14.213 -0.634 -4.848 1.00 0.00 H new ATOM 0 HD13 ILE A 69 13.701 -0.483 -3.150 1.00 0.00 H new ATOM 1116 N VAL A 70 11.354 3.763 -3.113 1.00 0.00 N ATOM 1117 CA VAL A 70 11.481 5.249 -3.197 1.00 0.00 C ATOM 1118 C VAL A 70 12.928 5.549 -3.568 1.00 0.00 C ATOM 1119 O VAL A 70 13.791 4.714 -3.381 1.00 0.00 O ATOM 1120 CB VAL A 70 11.171 5.806 -1.806 1.00 0.00 C ATOM 1121 CG1 VAL A 70 11.190 7.335 -1.857 1.00 0.00 C ATOM 1122 CG2 VAL A 70 9.789 5.339 -1.360 1.00 0.00 C ATOM 0 H VAL A 70 11.728 3.345 -2.261 1.00 0.00 H new ATOM 0 HA VAL A 70 10.807 5.690 -3.931 1.00 0.00 H new ATOM 0 HB VAL A 70 11.921 5.449 -1.100 1.00 0.00 H new ATOM 0 HG11 VAL A 70 10.969 7.735 -0.867 1.00 0.00 H new ATOM 0 HG12 VAL A 70 12.175 7.676 -2.175 1.00 0.00 H new ATOM 0 HG13 VAL A 70 10.439 7.685 -2.565 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.572 5.738 -0.369 1.00 0.00 H new ATOM 0 HG22 VAL A 70 9.039 5.695 -2.066 1.00 0.00 H new ATOM 0 HG23 VAL A 70 9.767 4.250 -1.325 1.00 0.00 H new ATOM 1132 N THR A 71 13.218 6.703 -4.093 1.00 0.00 N ATOM 1133 CA THR A 71 14.632 6.987 -4.466 1.00 0.00 C ATOM 1134 C THR A 71 15.232 8.086 -3.588 1.00 0.00 C ATOM 1135 O THR A 71 16.435 8.220 -3.496 1.00 0.00 O ATOM 1136 CB THR A 71 14.584 7.440 -5.922 1.00 0.00 C ATOM 1137 OG1 THR A 71 13.790 6.534 -6.675 1.00 0.00 O ATOM 1138 CG2 THR A 71 16.006 7.467 -6.483 1.00 0.00 C ATOM 0 H THR A 71 12.551 7.452 -4.279 1.00 0.00 H new ATOM 0 HA THR A 71 15.260 6.107 -4.327 1.00 0.00 H new ATOM 0 HB THR A 71 14.146 8.436 -5.984 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.758 6.826 -7.610 1.00 0.00 H new ATOM 0 HG21 THR A 71 15.980 7.790 -7.524 1.00 0.00 H new ATOM 0 HG22 THR A 71 16.613 8.162 -5.902 1.00 0.00 H new ATOM 0 HG23 THR A 71 16.440 6.469 -6.423 1.00 0.00 H new ATOM 1146 N GLU A 72 14.421 8.885 -2.952 1.00 0.00 N ATOM 1147 CA GLU A 72 14.996 9.969 -2.108 1.00 0.00 C ATOM 1148 C GLU A 72 14.355 9.999 -0.722 1.00 0.00 C ATOM 1149 O GLU A 72 14.486 10.963 0.005 1.00 0.00 O ATOM 1150 CB GLU A 72 14.689 11.255 -2.868 1.00 0.00 C ATOM 1151 CG GLU A 72 15.256 11.149 -4.283 1.00 0.00 C ATOM 1152 CD GLU A 72 15.526 12.550 -4.834 1.00 0.00 C ATOM 1153 OE1 GLU A 72 16.463 13.177 -4.369 1.00 0.00 O ATOM 1154 OE2 GLU A 72 14.791 12.972 -5.712 1.00 0.00 O ATOM 0 H GLU A 72 13.402 8.837 -2.978 1.00 0.00 H new ATOM 0 HA GLU A 72 16.064 9.826 -1.941 1.00 0.00 H new ATOM 0 HB2 GLU A 72 13.612 11.421 -2.906 1.00 0.00 H new ATOM 0 HB3 GLU A 72 15.125 12.110 -2.351 1.00 0.00 H new ATOM 0 HG2 GLU A 72 16.178 10.567 -4.274 1.00 0.00 H new ATOM 0 HG3 GLU A 72 14.553 10.623 -4.929 1.00 0.00 H new ATOM 1161 N LYS A 73 13.663 8.958 -0.347 1.00 0.00 N ATOM 1162 CA LYS A 73 13.016 8.930 1.000 1.00 0.00 C ATOM 1163 C LYS A 73 11.824 9.885 1.056 1.00 0.00 C ATOM 1164 O LYS A 73 11.115 9.935 2.033 1.00 0.00 O ATOM 1165 CB LYS A 73 14.100 9.376 1.983 1.00 0.00 C ATOM 1166 CG LYS A 73 13.759 8.873 3.387 1.00 0.00 C ATOM 1167 CD LYS A 73 14.021 9.987 4.403 1.00 0.00 C ATOM 1168 CE LYS A 73 13.031 11.133 4.174 1.00 0.00 C ATOM 1169 NZ LYS A 73 13.746 12.355 4.637 1.00 0.00 N ATOM 0 H LYS A 73 13.516 8.123 -0.915 1.00 0.00 H new ATOM 0 HA LYS A 73 12.632 7.937 1.236 1.00 0.00 H new ATOM 0 HB2 LYS A 73 15.069 8.987 1.672 1.00 0.00 H new ATOM 0 HB3 LYS A 73 14.179 10.463 1.984 1.00 0.00 H new ATOM 0 HG2 LYS A 73 12.715 8.564 3.431 1.00 0.00 H new ATOM 0 HG3 LYS A 73 14.361 7.997 3.628 1.00 0.00 H new ATOM 0 HD2 LYS A 73 13.917 9.600 5.417 1.00 0.00 H new ATOM 0 HD3 LYS A 73 15.044 10.351 4.304 1.00 0.00 H new ATOM 0 HE2 LYS A 73 12.754 11.212 3.123 1.00 0.00 H new ATOM 0 HE3 LYS A 73 12.110 10.978 4.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 13.132 13.185 4.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 13.991 12.254 5.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 14.615 12.481 4.080 1.00 0.00 H new ATOM 1183 N ASP A 74 11.598 10.649 0.027 1.00 0.00 N ATOM 1184 CA ASP A 74 10.449 11.591 0.048 1.00 0.00 C ATOM 1185 C ASP A 74 9.730 11.579 -1.301 1.00 0.00 C ATOM 1186 O ASP A 74 8.741 12.257 -1.489 1.00 0.00 O ATOM 1187 CB ASP A 74 11.078 12.955 0.313 1.00 0.00 C ATOM 1188 CG ASP A 74 10.030 13.898 0.907 1.00 0.00 C ATOM 1189 OD1 ASP A 74 8.931 13.938 0.380 1.00 0.00 O ATOM 1190 OD2 ASP A 74 10.345 14.563 1.880 1.00 0.00 O ATOM 0 H ASP A 74 12.158 10.662 -0.826 1.00 0.00 H new ATOM 0 HA ASP A 74 9.705 11.328 0.800 1.00 0.00 H new ATOM 0 HB2 ASP A 74 11.919 12.852 0.999 1.00 0.00 H new ATOM 0 HB3 ASP A 74 11.472 13.371 -0.614 1.00 0.00 H new ATOM 1195 N SER A 75 10.210 10.808 -2.239 1.00 0.00 N ATOM 1196 CA SER A 75 9.541 10.752 -3.565 1.00 0.00 C ATOM 1197 C SER A 75 8.226 9.984 -3.437 1.00 0.00 C ATOM 1198 O SER A 75 8.225 8.794 -3.187 1.00 0.00 O ATOM 1199 CB SER A 75 10.524 10.001 -4.465 1.00 0.00 C ATOM 1200 OG SER A 75 9.973 9.890 -5.771 1.00 0.00 O ATOM 0 H SER A 75 11.035 10.216 -2.142 1.00 0.00 H new ATOM 0 HA SER A 75 9.302 11.737 -3.965 1.00 0.00 H new ATOM 0 HB2 SER A 75 11.477 10.529 -4.503 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.725 9.010 -4.057 1.00 0.00 H new ATOM 0 HG SER A 75 10.601 9.411 -6.351 1.00 0.00 H new ATOM 1206 N PRO A 76 7.142 10.693 -3.601 1.00 0.00 N ATOM 1207 CA PRO A 76 5.806 10.065 -3.487 1.00 0.00 C ATOM 1208 C PRO A 76 5.736 8.822 -4.379 1.00 0.00 C ATOM 1209 O PRO A 76 5.760 8.913 -5.590 1.00 0.00 O ATOM 1210 CB PRO A 76 4.846 11.146 -3.978 1.00 0.00 C ATOM 1211 CG PRO A 76 5.588 12.437 -3.827 1.00 0.00 C ATOM 1212 CD PRO A 76 7.060 12.124 -3.911 1.00 0.00 C ATOM 0 HA PRO A 76 5.571 9.734 -2.475 1.00 0.00 H new ATOM 0 HB2 PRO A 76 4.561 10.976 -5.016 1.00 0.00 H new ATOM 0 HB3 PRO A 76 3.927 11.151 -3.392 1.00 0.00 H new ATOM 0 HG2 PRO A 76 5.300 13.139 -4.609 1.00 0.00 H new ATOM 0 HG3 PRO A 76 5.350 12.907 -2.873 1.00 0.00 H new ATOM 0 HD2 PRO A 76 7.457 12.340 -4.903 1.00 0.00 H new ATOM 0 HD3 PRO A 76 7.635 12.719 -3.201 1.00 0.00 H new ATOM 1220 N VAL A 77 5.657 7.663 -3.788 1.00 0.00 N ATOM 1221 CA VAL A 77 5.594 6.414 -4.604 1.00 0.00 C ATOM 1222 C VAL A 77 4.144 5.971 -4.818 1.00 0.00 C ATOM 1223 O VAL A 77 3.310 6.087 -3.942 1.00 0.00 O ATOM 1224 CB VAL A 77 6.354 5.367 -3.805 1.00 0.00 C ATOM 1225 CG1 VAL A 77 6.269 4.035 -4.542 1.00 0.00 C ATOM 1226 CG2 VAL A 77 7.818 5.786 -3.693 1.00 0.00 C ATOM 0 H VAL A 77 5.633 7.524 -2.778 1.00 0.00 H new ATOM 0 HA VAL A 77 6.024 6.564 -5.594 1.00 0.00 H new ATOM 0 HB VAL A 77 5.924 5.272 -2.808 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.810 3.273 -3.981 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.224 3.740 -4.640 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.712 4.138 -5.533 1.00 0.00 H new ATOM 0 HG21 VAL A 77 8.368 5.039 -3.121 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.250 5.869 -4.690 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.883 6.750 -3.188 1.00 0.00 H new ATOM 1236 N ASN A 78 3.851 5.446 -5.976 1.00 0.00 N ATOM 1237 CA ASN A 78 2.473 4.967 -6.269 1.00 0.00 C ATOM 1238 C ASN A 78 2.478 3.438 -6.240 1.00 0.00 C ATOM 1239 O ASN A 78 3.340 2.820 -6.833 1.00 0.00 O ATOM 1240 CB ASN A 78 2.173 5.475 -7.679 1.00 0.00 C ATOM 1241 CG ASN A 78 2.595 6.941 -7.796 1.00 0.00 C ATOM 1242 OD1 ASN A 78 2.687 7.669 -6.717 1.00 0.00 O flip ATOM 1243 ND2 ASN A 78 2.844 7.429 -8.881 1.00 0.00 N flip ATOM 0 H ASN A 78 4.517 5.328 -6.740 1.00 0.00 H new ATOM 0 HA ASN A 78 1.730 5.317 -5.553 1.00 0.00 H new ATOM 0 HB2 ASN A 78 2.706 4.873 -8.415 1.00 0.00 H new ATOM 0 HB3 ASN A 78 1.109 5.374 -7.894 1.00 0.00 H new ATOM 0 HD21 ASN A 78 2.772 6.860 -9.725 1.00 0.00 H new ATOM 0 HD22 ASN A 78 3.125 8.407 -8.948 1.00 0.00 H new ATOM 1250 N ILE A 79 1.565 2.799 -5.553 1.00 0.00 N ATOM 1251 CA ILE A 79 1.633 1.310 -5.533 1.00 0.00 C ATOM 1252 C ILE A 79 0.408 0.679 -6.187 1.00 0.00 C ATOM 1253 O ILE A 79 -0.713 0.865 -5.760 1.00 0.00 O ATOM 1254 CB ILE A 79 1.724 0.936 -4.065 1.00 0.00 C ATOM 1255 CG1 ILE A 79 2.810 1.793 -3.398 1.00 0.00 C ATOM 1256 CG2 ILE A 79 2.087 -0.546 -3.957 1.00 0.00 C ATOM 1257 CD1 ILE A 79 4.195 1.309 -3.832 1.00 0.00 C ATOM 0 H ILE A 79 0.804 3.225 -5.024 1.00 0.00 H new ATOM 0 HA ILE A 79 2.487 0.943 -6.102 1.00 0.00 H new ATOM 0 HB ILE A 79 0.771 1.113 -3.567 1.00 0.00 H new ATOM 0 HG12 ILE A 79 2.679 2.840 -3.672 1.00 0.00 H new ATOM 0 HG13 ILE A 79 2.718 1.733 -2.314 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.156 -0.828 -2.906 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.318 -1.145 -4.444 1.00 0.00 H new ATOM 0 HG23 ILE A 79 3.046 -0.722 -4.443 1.00 0.00 H new ATOM 0 HD11 ILE A 79 4.960 1.921 -3.355 1.00 0.00 H new ATOM 0 HD12 ILE A 79 4.326 0.268 -3.536 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.287 1.392 -4.915 1.00 0.00 H new ATOM 1269 N GLU A 80 0.637 -0.079 -7.221 1.00 0.00 N ATOM 1270 CA GLU A 80 -0.480 -0.754 -7.938 1.00 0.00 C ATOM 1271 C GLU A 80 -0.670 -2.176 -7.400 1.00 0.00 C ATOM 1272 O GLU A 80 0.161 -3.038 -7.607 1.00 0.00 O ATOM 1273 CB GLU A 80 -0.035 -0.789 -9.400 1.00 0.00 C ATOM 1274 CG GLU A 80 -0.995 -1.661 -10.211 1.00 0.00 C ATOM 1275 CD GLU A 80 -1.703 -0.805 -11.262 1.00 0.00 C ATOM 1276 OE1 GLU A 80 -1.233 0.292 -11.519 1.00 0.00 O ATOM 1277 OE2 GLU A 80 -2.701 -1.260 -11.796 1.00 0.00 O ATOM 0 H GLU A 80 1.564 -0.262 -7.606 1.00 0.00 H new ATOM 0 HA GLU A 80 -1.431 -0.238 -7.810 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -0.014 0.222 -9.808 1.00 0.00 H new ATOM 0 HB3 GLU A 80 0.979 -1.183 -9.472 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -0.447 -2.469 -10.695 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.728 -2.124 -9.550 1.00 0.00 H new ATOM 1284 N ALA A 81 -1.751 -2.436 -6.711 1.00 0.00 N ATOM 1285 CA ALA A 81 -1.966 -3.812 -6.175 1.00 0.00 C ATOM 1286 C ALA A 81 -3.315 -4.366 -6.631 1.00 0.00 C ATOM 1287 O ALA A 81 -4.196 -3.635 -7.029 1.00 0.00 O ATOM 1288 CB ALA A 81 -1.912 -3.676 -4.648 1.00 0.00 C ATOM 0 H ALA A 81 -2.487 -1.762 -6.498 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.210 -4.508 -6.538 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.063 -4.654 -4.190 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.939 -3.283 -4.352 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.695 -2.995 -4.315 1.00 0.00 H new ATOM 1294 N GLU A 82 -3.469 -5.661 -6.591 1.00 0.00 N ATOM 1295 CA GLU A 82 -4.751 -6.275 -7.035 1.00 0.00 C ATOM 1296 C GLU A 82 -5.687 -6.476 -5.839 1.00 0.00 C ATOM 1297 O GLU A 82 -5.407 -7.262 -4.956 1.00 0.00 O ATOM 1298 CB GLU A 82 -4.339 -7.619 -7.629 1.00 0.00 C ATOM 1299 CG GLU A 82 -5.584 -8.388 -8.075 1.00 0.00 C ATOM 1300 CD GLU A 82 -5.589 -8.512 -9.599 1.00 0.00 C ATOM 1301 OE1 GLU A 82 -4.741 -9.217 -10.120 1.00 0.00 O ATOM 1302 OE2 GLU A 82 -6.441 -7.898 -10.221 1.00 0.00 O ATOM 0 H GLU A 82 -2.761 -6.321 -6.269 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.290 -5.653 -7.750 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.672 -7.464 -8.477 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -3.786 -8.200 -6.891 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.596 -9.378 -7.619 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.483 -7.872 -7.739 1.00 0.00 H new ATOM 1309 N PRO A 83 -6.776 -5.753 -5.852 1.00 0.00 N ATOM 1310 CA PRO A 83 -7.769 -5.848 -4.755 1.00 0.00 C ATOM 1311 C PRO A 83 -8.549 -7.163 -4.849 1.00 0.00 C ATOM 1312 O PRO A 83 -9.017 -7.531 -5.907 1.00 0.00 O ATOM 1313 CB PRO A 83 -8.695 -4.661 -5.005 1.00 0.00 C ATOM 1314 CG PRO A 83 -8.568 -4.374 -6.467 1.00 0.00 C ATOM 1315 CD PRO A 83 -7.180 -4.788 -6.881 1.00 0.00 C ATOM 0 HA PRO A 83 -7.312 -5.831 -3.766 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -9.724 -4.900 -4.737 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -8.402 -3.799 -4.406 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -9.319 -4.924 -7.034 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -8.730 -3.315 -6.667 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -7.177 -5.238 -7.874 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -6.503 -3.935 -6.916 1.00 0.00 H new ATOM 1323 N PRO A 84 -8.668 -7.825 -3.730 1.00 0.00 N ATOM 1324 CA PRO A 84 -9.407 -9.110 -3.684 1.00 0.00 C ATOM 1325 C PRO A 84 -10.884 -8.875 -4.015 1.00 0.00 C ATOM 1326 O PRO A 84 -11.242 -7.889 -4.629 1.00 0.00 O ATOM 1327 CB PRO A 84 -9.242 -9.585 -2.240 1.00 0.00 C ATOM 1328 CG PRO A 84 -8.820 -8.377 -1.463 1.00 0.00 C ATOM 1329 CD PRO A 84 -8.130 -7.445 -2.423 1.00 0.00 C ATOM 0 HA PRO A 84 -9.038 -9.841 -4.403 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -10.176 -9.993 -1.853 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -8.495 -10.376 -2.171 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -9.684 -7.891 -1.010 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -8.149 -8.658 -0.651 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -8.344 -6.402 -2.191 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -7.047 -7.564 -2.387 1.00 0.00 H new ATOM 1387 N TYR A 89 -8.046 -3.850 3.155 1.00 0.00 N ATOM 1388 CA TYR A 89 -7.264 -2.701 3.696 1.00 0.00 C ATOM 1389 C TYR A 89 -5.824 -2.756 3.185 1.00 0.00 C ATOM 1390 O TYR A 89 -5.024 -3.550 3.640 1.00 0.00 O ATOM 1391 CB TYR A 89 -7.289 -2.863 5.219 1.00 0.00 C ATOM 1392 CG TYR A 89 -8.665 -3.296 5.670 1.00 0.00 C ATOM 1393 CD1 TYR A 89 -9.054 -4.635 5.540 1.00 0.00 C ATOM 1394 CD2 TYR A 89 -9.549 -2.360 6.218 1.00 0.00 C ATOM 1395 CE1 TYR A 89 -10.327 -5.037 5.960 1.00 0.00 C ATOM 1396 CE2 TYR A 89 -10.824 -2.762 6.637 1.00 0.00 C ATOM 1397 CZ TYR A 89 -11.213 -4.101 6.508 1.00 0.00 C ATOM 1398 OH TYR A 89 -12.468 -4.497 6.921 1.00 0.00 O ATOM 0 HA TYR A 89 -7.685 -1.745 3.384 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.548 -3.600 5.527 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -7.020 -1.921 5.698 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -8.372 -5.357 5.116 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -9.248 -1.328 6.318 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -10.626 -6.070 5.861 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -11.507 -2.039 7.059 1.00 0.00 H new ATOM 0 HH TYR A 89 -12.954 -3.724 7.278 1.00 0.00 H new ATOM 1408 N ILE A 90 -5.483 -1.917 2.248 1.00 0.00 N ATOM 1409 CA ILE A 90 -4.090 -1.923 1.720 1.00 0.00 C ATOM 1410 C ILE A 90 -3.152 -1.293 2.751 1.00 0.00 C ATOM 1411 O ILE A 90 -3.212 -0.108 3.013 1.00 0.00 O ATOM 1412 CB ILE A 90 -4.144 -1.076 0.448 1.00 0.00 C ATOM 1413 CG1 ILE A 90 -4.774 -1.897 -0.681 1.00 0.00 C ATOM 1414 CG2 ILE A 90 -2.726 -0.665 0.047 1.00 0.00 C ATOM 1415 CD1 ILE A 90 -5.701 -1.004 -1.508 1.00 0.00 C ATOM 0 H ILE A 90 -6.106 -1.229 1.826 1.00 0.00 H new ATOM 0 HA ILE A 90 -3.720 -2.928 1.516 1.00 0.00 H new ATOM 0 HB ILE A 90 -4.743 -0.183 0.630 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -3.995 -2.318 -1.317 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -5.334 -2.735 -0.266 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -2.765 -0.061 -0.860 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.275 -0.084 0.851 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.127 -1.557 -0.136 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.149 -1.589 -2.311 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.488 -0.605 -0.868 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.128 -0.181 -1.935 1.00 0.00 H new ATOM 1427 N ILE A 91 -2.291 -2.073 3.344 1.00 0.00 N ATOM 1428 CA ILE A 91 -1.361 -1.506 4.360 1.00 0.00 C ATOM 1429 C ILE A 91 -0.063 -1.053 3.692 1.00 0.00 C ATOM 1430 O ILE A 91 0.450 -1.700 2.801 1.00 0.00 O ATOM 1431 CB ILE A 91 -1.098 -2.643 5.347 1.00 0.00 C ATOM 1432 CG1 ILE A 91 -2.367 -2.915 6.163 1.00 0.00 C ATOM 1433 CG2 ILE A 91 0.036 -2.235 6.292 1.00 0.00 C ATOM 1434 CD1 ILE A 91 -2.925 -4.299 5.814 1.00 0.00 C ATOM 0 H ILE A 91 -2.191 -3.073 3.170 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.780 -0.632 4.859 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.817 -3.544 4.802 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -2.143 -2.862 7.228 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -3.114 -2.149 5.956 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.229 -3.042 6.999 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.938 -2.036 5.713 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.251 -1.336 6.837 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.827 -4.486 6.398 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -3.166 -4.337 4.752 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.180 -5.060 6.044 1.00 0.00 H new ATOM 1446 N ILE A 92 0.466 0.062 4.114 1.00 0.00 N ATOM 1447 CA ILE A 92 1.726 0.571 3.503 1.00 0.00 C ATOM 1448 C ILE A 92 2.764 0.835 4.597 1.00 0.00 C ATOM 1449 O ILE A 92 2.451 1.369 5.640 1.00 0.00 O ATOM 1450 CB ILE A 92 1.308 1.875 2.806 1.00 0.00 C ATOM 1451 CG1 ILE A 92 1.004 1.587 1.336 1.00 0.00 C ATOM 1452 CG2 ILE A 92 2.425 2.922 2.894 1.00 0.00 C ATOM 1453 CD1 ILE A 92 0.200 2.748 0.750 1.00 0.00 C ATOM 0 H ILE A 92 0.079 0.644 4.857 1.00 0.00 H new ATOM 0 HA ILE A 92 2.182 -0.133 2.807 1.00 0.00 H new ATOM 0 HB ILE A 92 0.421 2.267 3.305 1.00 0.00 H new ATOM 0 HG12 ILE A 92 1.932 1.455 0.780 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.442 0.657 1.244 1.00 0.00 H new ATOM 0 HG21 ILE A 92 2.107 3.837 2.394 1.00 0.00 H new ATOM 0 HG22 ILE A 92 2.641 3.137 3.941 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.323 2.538 2.410 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -0.019 2.546 -0.299 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.734 2.858 1.301 1.00 0.00 H new ATOM 0 HD13 ILE A 92 0.779 3.668 0.829 1.00 0.00 H new ATOM 1465 N GLY A 93 3.998 0.477 4.373 1.00 0.00 N ATOM 1466 CA GLY A 93 5.023 0.732 5.413 1.00 0.00 C ATOM 1467 C GLY A 93 5.037 -0.423 6.407 1.00 0.00 C ATOM 1468 O GLY A 93 4.516 -1.490 6.150 1.00 0.00 O ATOM 0 H GLY A 93 4.335 0.024 3.523 1.00 0.00 H new ATOM 0 HA2 GLY A 93 6.005 0.841 4.952 1.00 0.00 H new ATOM 0 HA3 GLY A 93 4.808 1.667 5.929 1.00 0.00 H new ATOM 1472 N VAL A 94 5.628 -0.223 7.540 1.00 0.00 N ATOM 1473 CA VAL A 94 5.680 -1.317 8.545 1.00 0.00 C ATOM 1474 C VAL A 94 4.963 -0.893 9.820 1.00 0.00 C ATOM 1475 O VAL A 94 4.968 0.267 10.178 1.00 0.00 O ATOM 1476 CB VAL A 94 7.174 -1.571 8.808 1.00 0.00 C ATOM 1477 CG1 VAL A 94 7.634 -2.731 7.923 1.00 0.00 C ATOM 1478 CG2 VAL A 94 8.003 -0.324 8.467 1.00 0.00 C ATOM 0 H VAL A 94 6.079 0.648 7.819 1.00 0.00 H new ATOM 0 HA VAL A 94 5.184 -2.221 8.191 1.00 0.00 H new ATOM 0 HB VAL A 94 7.316 -1.809 9.862 1.00 0.00 H new ATOM 0 HG11 VAL A 94 8.692 -2.924 8.097 1.00 0.00 H new ATOM 0 HG12 VAL A 94 7.057 -3.624 8.165 1.00 0.00 H new ATOM 0 HG13 VAL A 94 7.480 -2.473 6.875 1.00 0.00 H new ATOM 0 HG21 VAL A 94 9.057 -0.524 8.660 1.00 0.00 H new ATOM 0 HG22 VAL A 94 7.868 -0.074 7.415 1.00 0.00 H new ATOM 0 HG23 VAL A 94 7.673 0.512 9.084 1.00 0.00 H new ATOM 1488 N GLU A 95 4.343 -1.838 10.491 1.00 0.00 N ATOM 1489 CA GLU A 95 3.594 -1.552 11.760 1.00 0.00 C ATOM 1490 C GLU A 95 3.985 -0.199 12.360 1.00 0.00 C ATOM 1491 O GLU A 95 3.144 0.656 12.537 1.00 0.00 O ATOM 1492 CB GLU A 95 3.987 -2.684 12.709 1.00 0.00 C ATOM 1493 CG GLU A 95 3.018 -3.856 12.536 1.00 0.00 C ATOM 1494 CD GLU A 95 2.763 -4.513 13.893 1.00 0.00 C ATOM 1495 OE1 GLU A 95 3.719 -4.707 14.625 1.00 0.00 O ATOM 1496 OE2 GLU A 95 1.614 -4.811 14.178 1.00 0.00 O ATOM 0 H GLU A 95 4.325 -2.817 10.206 1.00 0.00 H new ATOM 0 HA GLU A 95 2.520 -1.502 11.582 1.00 0.00 H new ATOM 0 HB2 GLU A 95 5.007 -3.008 12.502 1.00 0.00 H new ATOM 0 HB3 GLU A 95 3.967 -2.331 13.740 1.00 0.00 H new ATOM 0 HG2 GLU A 95 2.079 -3.505 12.108 1.00 0.00 H new ATOM 0 HG3 GLU A 95 3.433 -4.585 11.840 1.00 0.00 H new ATOM 1503 N PRO A 96 5.254 -0.054 12.647 1.00 0.00 N ATOM 1504 CA PRO A 96 5.781 1.212 13.227 1.00 0.00 C ATOM 1505 C PRO A 96 5.347 2.445 12.413 1.00 0.00 C ATOM 1506 O PRO A 96 6.146 3.064 11.740 1.00 0.00 O ATOM 1507 CB PRO A 96 7.306 1.040 13.160 1.00 0.00 C ATOM 1508 CG PRO A 96 7.547 -0.192 12.344 1.00 0.00 C ATOM 1509 CD PRO A 96 6.321 -1.044 12.481 1.00 0.00 C ATOM 0 HA PRO A 96 5.406 1.382 14.236 1.00 0.00 H new ATOM 0 HB2 PRO A 96 7.777 1.910 12.702 1.00 0.00 H new ATOM 0 HB3 PRO A 96 7.731 0.936 14.158 1.00 0.00 H new ATOM 0 HG2 PRO A 96 7.726 0.064 11.300 1.00 0.00 H new ATOM 0 HG3 PRO A 96 8.430 -0.724 12.698 1.00 0.00 H new ATOM 0 HD2 PRO A 96 6.161 -1.667 11.601 1.00 0.00 H new ATOM 0 HD3 PRO A 96 6.388 -1.714 13.338 1.00 0.00 H new ATOM 1517 N GLY A 97 4.097 2.822 12.491 1.00 0.00 N ATOM 1518 CA GLY A 97 3.626 4.029 11.747 1.00 0.00 C ATOM 1519 C GLY A 97 3.150 3.652 10.342 1.00 0.00 C ATOM 1520 O GLY A 97 2.703 4.491 9.586 1.00 0.00 O ATOM 0 H GLY A 97 3.381 2.345 13.039 1.00 0.00 H new ATOM 0 HA2 GLY A 97 2.813 4.505 12.295 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.434 4.757 11.679 1.00 0.00 H new ATOM 1524 N GLN A 98 3.236 2.403 9.980 1.00 0.00 N ATOM 1525 CA GLN A 98 2.781 1.993 8.619 1.00 0.00 C ATOM 1526 C GLN A 98 1.416 2.631 8.308 1.00 0.00 C ATOM 1527 O GLN A 98 0.691 3.031 9.198 1.00 0.00 O ATOM 1528 CB GLN A 98 2.716 0.456 8.692 1.00 0.00 C ATOM 1529 CG GLN A 98 1.334 -0.077 8.287 1.00 0.00 C ATOM 1530 CD GLN A 98 1.202 -1.532 8.740 1.00 0.00 C ATOM 1531 OE1 GLN A 98 0.143 -1.956 9.158 1.00 0.00 O ATOM 1532 NE2 GLN A 98 2.240 -2.321 8.674 1.00 0.00 N ATOM 0 H GLN A 98 3.600 1.650 10.564 1.00 0.00 H new ATOM 0 HA GLN A 98 3.443 2.320 7.817 1.00 0.00 H new ATOM 0 HB2 GLN A 98 3.476 0.029 8.038 1.00 0.00 H new ATOM 0 HB3 GLN A 98 2.948 0.130 9.706 1.00 0.00 H new ATOM 0 HG2 GLN A 98 0.550 0.530 8.740 1.00 0.00 H new ATOM 0 HG3 GLN A 98 1.207 -0.007 7.207 1.00 0.00 H new ATOM 0 HE21 GLN A 98 3.129 -1.966 8.323 1.00 0.00 H new ATOM 0 HE22 GLN A 98 2.162 -3.293 8.973 1.00 0.00 H new ATOM 1541 N LEU A 99 1.066 2.730 7.052 1.00 0.00 N ATOM 1542 CA LEU A 99 -0.244 3.344 6.686 1.00 0.00 C ATOM 1543 C LEU A 99 -1.304 2.262 6.464 1.00 0.00 C ATOM 1544 O LEU A 99 -1.028 1.080 6.538 1.00 0.00 O ATOM 1545 CB LEU A 99 0.025 4.099 5.384 1.00 0.00 C ATOM 1546 CG LEU A 99 0.395 5.549 5.698 1.00 0.00 C ATOM 1547 CD1 LEU A 99 0.840 6.247 4.413 1.00 0.00 C ATOM 1548 CD2 LEU A 99 -0.822 6.274 6.275 1.00 0.00 C ATOM 0 H LEU A 99 1.631 2.412 6.264 1.00 0.00 H new ATOM 0 HA LEU A 99 -0.622 3.997 7.472 1.00 0.00 H new ATOM 0 HB2 LEU A 99 0.833 3.618 4.833 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -0.858 4.069 4.745 1.00 0.00 H new ATOM 0 HG LEU A 99 1.207 5.568 6.425 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.104 7.281 4.634 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.707 5.731 4.000 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.026 6.227 3.688 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.558 7.308 6.499 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -1.634 6.256 5.548 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.143 5.775 7.190 1.00 0.00 H new ATOM 1560 N LYS A 100 -2.516 2.662 6.187 1.00 0.00 N ATOM 1561 CA LYS A 100 -3.606 1.669 5.955 1.00 0.00 C ATOM 1562 C LYS A 100 -4.695 2.280 5.071 1.00 0.00 C ATOM 1563 O LYS A 100 -5.104 3.408 5.266 1.00 0.00 O ATOM 1564 CB LYS A 100 -4.156 1.355 7.342 1.00 0.00 C ATOM 1565 CG LYS A 100 -4.017 -0.143 7.619 1.00 0.00 C ATOM 1566 CD LYS A 100 -4.386 -0.430 9.075 1.00 0.00 C ATOM 1567 CE LYS A 100 -3.432 -1.480 9.648 1.00 0.00 C ATOM 1568 NZ LYS A 100 -3.996 -1.827 10.981 1.00 0.00 N ATOM 0 H LYS A 100 -2.800 3.639 6.111 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.249 0.773 5.447 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -3.616 1.927 8.097 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -5.203 1.652 7.405 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -4.666 -0.709 6.950 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -2.995 -0.467 7.421 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -4.330 0.486 9.663 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -5.414 -0.786 9.137 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -3.376 -2.357 9.003 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -2.420 -1.086 9.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -3.395 -2.543 11.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -4.030 -0.975 11.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -4.957 -2.206 10.863 1.00 0.00 H new ATOM 1582 N LEU A 101 -5.167 1.549 4.099 1.00 0.00 N ATOM 1583 CA LEU A 101 -6.229 2.095 3.204 1.00 0.00 C ATOM 1584 C LEU A 101 -7.301 1.034 2.942 1.00 0.00 C ATOM 1585 O LEU A 101 -7.017 -0.042 2.454 1.00 0.00 O ATOM 1586 CB LEU A 101 -5.506 2.459 1.907 1.00 0.00 C ATOM 1587 CG LEU A 101 -4.533 3.609 2.171 1.00 0.00 C ATOM 1588 CD1 LEU A 101 -3.135 3.045 2.432 1.00 0.00 C ATOM 1589 CD2 LEU A 101 -4.491 4.528 0.948 1.00 0.00 C ATOM 0 H LEU A 101 -4.865 0.599 3.885 1.00 0.00 H new ATOM 0 HA LEU A 101 -6.736 2.954 3.643 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -4.967 1.593 1.523 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.229 2.748 1.144 1.00 0.00 H new ATOM 0 HG LEU A 101 -4.865 4.174 3.042 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -2.441 3.864 2.620 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -3.164 2.388 3.301 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.802 2.481 1.561 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -3.798 5.349 1.133 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -4.158 3.961 0.078 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -5.487 4.929 0.760 1.00 0.00 H new ATOM 1601 N ASN A 102 -8.532 1.329 3.262 1.00 0.00 N ATOM 1602 CA ASN A 102 -9.620 0.337 3.030 1.00 0.00 C ATOM 1603 C ASN A 102 -10.185 0.490 1.614 1.00 0.00 C ATOM 1604 O ASN A 102 -10.605 1.557 1.214 1.00 0.00 O ATOM 1605 CB ASN A 102 -10.688 0.673 4.073 1.00 0.00 C ATOM 1606 CG ASN A 102 -12.006 -0.006 3.695 1.00 0.00 C ATOM 1607 OD1 ASN A 102 -12.636 0.361 2.723 1.00 0.00 O ATOM 1608 ND2 ASN A 102 -12.452 -0.991 4.427 1.00 0.00 N ATOM 0 H ASN A 102 -8.831 2.213 3.674 1.00 0.00 H new ATOM 0 HA ASN A 102 -9.269 -0.691 3.121 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -10.365 0.340 5.059 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -10.827 1.753 4.131 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -13.329 -1.452 4.183 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -11.924 -1.300 5.243 1.00 0.00 H new ATOM 1615 N TRP A 103 -10.200 -0.572 0.854 1.00 0.00 N ATOM 1616 CA TRP A 103 -10.740 -0.488 -0.533 1.00 0.00 C ATOM 1617 C TRP A 103 -11.859 -1.514 -0.724 1.00 0.00 C ATOM 1618 O TRP A 103 -11.906 -2.527 -0.055 1.00 0.00 O ATOM 1619 CB TRP A 103 -9.553 -0.812 -1.441 1.00 0.00 C ATOM 1620 CG TRP A 103 -9.821 -0.292 -2.817 1.00 0.00 C ATOM 1621 CD1 TRP A 103 -9.849 -1.045 -3.940 1.00 0.00 C ATOM 1622 CD2 TRP A 103 -10.098 1.077 -3.235 1.00 0.00 C ATOM 1623 NE1 TRP A 103 -10.126 -0.227 -5.021 1.00 0.00 N ATOM 1624 CE2 TRP A 103 -10.287 1.090 -4.637 1.00 0.00 C ATOM 1625 CE3 TRP A 103 -10.203 2.294 -2.540 1.00 0.00 C ATOM 1626 CZ2 TRP A 103 -10.571 2.270 -5.325 1.00 0.00 C ATOM 1627 CZ3 TRP A 103 -10.487 3.485 -3.229 1.00 0.00 C ATOM 1628 CH2 TRP A 103 -10.671 3.472 -4.620 1.00 0.00 C ATOM 0 H TRP A 103 -9.862 -1.493 1.134 1.00 0.00 H new ATOM 0 HA TRP A 103 -11.165 0.491 -0.754 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -8.643 -0.363 -1.042 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -9.390 -1.889 -1.473 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -9.682 -2.111 -3.986 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -10.202 -0.556 -5.983 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -10.064 2.314 -1.469 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -10.713 2.254 -6.396 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -10.564 4.415 -2.685 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -10.890 4.390 -5.145 1.00 0.00 H new