USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=13 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 1:sc= -0.377! USER MOD Set 1.2: A 31 THR OG1 : rot 82:sc= 0.544! USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.0482 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0.00287 (180deg=0.00287) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 37 GLN :FLIP amide:sc= -5.22! C(o=-6.5!,f=-5.2!) USER MOD Single : A 38 TYR OH : rot 93:sc= -2.7! USER MOD Single : A 43 SER OG : rot -160:sc= -3.2! USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -10.8! C(o=-11!,f=-15!) 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 : amide:sc= -1.75 K(o=-1.8,f=-6.3!) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 GLN :FLIP amide:sc= -5.48! C(o=-6.3!,f=-5.5!) USER MOD Single : A 100 LYS NZ :NH3+ -165:sc= -0.0335 (180deg=-0.25) USER MOD Single : A 102 ASN :FLIP amide:sc= -0.801 F(o=-2.1!,f=-0.8) USER MOD ----------------------------------------------------------------- ATOM 215 N CYS A 14 12.313 -0.158 3.001 1.00 0.00 N ATOM 216 CA CYS A 14 12.181 0.979 3.946 1.00 0.00 C ATOM 217 C CYS A 14 11.273 0.583 5.114 1.00 0.00 C ATOM 218 O CYS A 14 10.168 0.115 4.922 1.00 0.00 O ATOM 219 CB CYS A 14 11.575 2.114 3.122 1.00 0.00 C ATOM 220 SG CYS A 14 12.815 3.412 2.901 1.00 0.00 S ATOM 0 HA CYS A 14 13.134 1.277 4.383 1.00 0.00 H new ATOM 0 HB2 CYS A 14 11.245 1.740 2.153 1.00 0.00 H new ATOM 0 HB3 CYS A 14 10.695 2.516 3.625 1.00 0.00 H new ATOM 225 N THR A 15 11.739 0.747 6.323 1.00 0.00 N ATOM 226 CA THR A 15 10.909 0.356 7.499 1.00 0.00 C ATOM 227 C THR A 15 10.380 1.586 8.243 1.00 0.00 C ATOM 228 O THR A 15 9.649 1.460 9.205 1.00 0.00 O ATOM 229 CB THR A 15 11.852 -0.441 8.393 1.00 0.00 C ATOM 230 OG1 THR A 15 11.111 -1.038 9.450 1.00 0.00 O ATOM 231 CG2 THR A 15 12.903 0.498 8.971 1.00 0.00 C ATOM 0 H THR A 15 12.656 1.134 6.547 1.00 0.00 H new ATOM 0 HA THR A 15 10.032 -0.217 7.199 1.00 0.00 H new ATOM 0 HB THR A 15 12.340 -1.222 7.811 1.00 0.00 H new ATOM 0 HG1 THR A 15 11.716 -1.552 10.024 1.00 0.00 H new ATOM 0 HG21 THR A 15 13.581 -0.065 9.612 1.00 0.00 H new ATOM 0 HG22 THR A 15 13.468 0.956 8.159 1.00 0.00 H new ATOM 0 HG23 THR A 15 12.413 1.276 9.556 1.00 0.00 H new ATOM 239 N GLY A 16 10.734 2.770 7.820 1.00 0.00 N ATOM 240 CA GLY A 16 10.232 3.980 8.525 1.00 0.00 C ATOM 241 C GLY A 16 8.704 4.014 8.456 1.00 0.00 C ATOM 242 O GLY A 16 8.032 3.081 8.847 1.00 0.00 O ATOM 0 H GLY A 16 11.344 2.949 7.023 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.560 3.970 9.565 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.647 4.878 8.068 1.00 0.00 H new ATOM 246 N LYS A 17 8.146 5.085 7.966 1.00 0.00 N ATOM 247 CA LYS A 17 6.660 5.175 7.879 1.00 0.00 C ATOM 248 C LYS A 17 6.245 5.666 6.490 1.00 0.00 C ATOM 249 O LYS A 17 7.079 5.945 5.650 1.00 0.00 O ATOM 250 CB LYS A 17 6.278 6.194 8.948 1.00 0.00 C ATOM 251 CG LYS A 17 5.526 5.492 10.077 1.00 0.00 C ATOM 252 CD LYS A 17 6.360 5.550 11.359 1.00 0.00 C ATOM 253 CE LYS A 17 7.619 4.696 11.190 1.00 0.00 C ATOM 254 NZ LYS A 17 8.130 4.488 12.572 1.00 0.00 N ATOM 0 H LYS A 17 8.652 5.901 7.622 1.00 0.00 H new ATOM 0 HA LYS A 17 6.169 4.214 8.033 1.00 0.00 H new ATOM 0 HB2 LYS A 17 7.172 6.679 9.339 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.655 6.976 8.514 1.00 0.00 H new ATOM 0 HG2 LYS A 17 4.560 5.970 10.237 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.327 4.455 9.806 1.00 0.00 H new ATOM 0 HD2 LYS A 17 6.635 6.581 11.580 1.00 0.00 H new ATOM 0 HD3 LYS A 17 5.773 5.188 12.203 1.00 0.00 H new ATOM 0 HE2 LYS A 17 7.390 3.746 10.707 1.00 0.00 H new ATOM 0 HE3 LYS A 17 8.358 5.201 10.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 8.994 3.910 12.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.346 5.409 13.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.408 4.000 13.139 1.00 0.00 H new ATOM 268 N PHE A 18 4.968 5.767 6.229 1.00 0.00 N ATOM 269 CA PHE A 18 4.533 6.232 4.884 1.00 0.00 C ATOM 270 C PHE A 18 3.398 7.250 4.980 1.00 0.00 C ATOM 271 O PHE A 18 2.434 7.065 5.696 1.00 0.00 O ATOM 272 CB PHE A 18 4.063 4.975 4.175 1.00 0.00 C ATOM 273 CG PHE A 18 5.264 4.258 3.623 1.00 0.00 C ATOM 274 CD1 PHE A 18 6.031 3.452 4.466 1.00 0.00 C ATOM 275 CD2 PHE A 18 5.621 4.413 2.280 1.00 0.00 C ATOM 276 CE1 PHE A 18 7.160 2.795 3.970 1.00 0.00 C ATOM 277 CE2 PHE A 18 6.750 3.754 1.780 1.00 0.00 C ATOM 278 CZ PHE A 18 7.521 2.944 2.627 1.00 0.00 C ATOM 0 H PHE A 18 4.216 5.550 6.883 1.00 0.00 H new ATOM 0 HA PHE A 18 5.341 6.736 4.353 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.522 4.330 4.867 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.372 5.230 3.371 1.00 0.00 H new ATOM 0 HD1 PHE A 18 5.751 3.336 5.503 1.00 0.00 H new ATOM 0 HD2 PHE A 18 5.027 5.039 1.631 1.00 0.00 H new ATOM 0 HE1 PHE A 18 7.754 2.173 4.623 1.00 0.00 H new ATOM 0 HE2 PHE A 18 7.027 3.869 0.743 1.00 0.00 H new ATOM 0 HZ PHE A 18 8.393 2.436 2.242 1.00 0.00 H new ATOM 288 N LYS A 19 3.508 8.321 4.245 1.00 0.00 N ATOM 289 CA LYS A 19 2.449 9.359 4.256 1.00 0.00 C ATOM 290 C LYS A 19 1.623 9.254 2.981 1.00 0.00 C ATOM 291 O LYS A 19 2.138 9.405 1.891 1.00 0.00 O ATOM 292 CB LYS A 19 3.204 10.685 4.267 1.00 0.00 C ATOM 293 CG LYS A 19 2.217 11.833 4.038 1.00 0.00 C ATOM 294 CD LYS A 19 2.346 12.338 2.600 1.00 0.00 C ATOM 295 CE LYS A 19 3.716 12.991 2.408 1.00 0.00 C ATOM 296 NZ LYS A 19 3.508 14.426 2.744 1.00 0.00 N ATOM 0 H LYS A 19 4.298 8.520 3.631 1.00 0.00 H new ATOM 0 HA LYS A 19 1.773 9.258 5.105 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.717 10.816 5.220 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.969 10.687 3.490 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.198 11.494 4.225 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.417 12.644 4.739 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.225 11.511 1.901 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.556 13.057 2.384 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.464 12.538 3.058 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.070 12.872 1.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.405 14.941 2.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.796 14.833 2.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.178 14.508 3.727 1.00 0.00 H new ATOM 310 N VAL A 20 0.351 9.012 3.087 1.00 0.00 N ATOM 311 CA VAL A 20 -0.460 8.924 1.849 1.00 0.00 C ATOM 312 C VAL A 20 -0.353 10.260 1.109 1.00 0.00 C ATOM 313 O VAL A 20 -0.527 11.317 1.681 1.00 0.00 O ATOM 314 CB VAL A 20 -1.894 8.669 2.313 1.00 0.00 C ATOM 315 CG1 VAL A 20 -2.792 8.452 1.092 1.00 0.00 C ATOM 316 CG2 VAL A 20 -1.927 7.420 3.196 1.00 0.00 C ATOM 0 H VAL A 20 -0.155 8.873 3.962 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.129 8.135 1.174 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.252 9.527 2.881 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.815 8.270 1.421 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.767 9.339 0.459 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.434 7.592 0.526 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.949 7.236 3.528 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.571 6.562 2.626 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.285 7.571 4.064 1.00 0.00 H new ATOM 326 N VAL A 21 -0.073 10.212 -0.156 1.00 0.00 N ATOM 327 CA VAL A 21 0.047 11.454 -0.956 1.00 0.00 C ATOM 328 C VAL A 21 -1.209 11.558 -1.810 1.00 0.00 C ATOM 329 O VAL A 21 -1.662 12.627 -2.170 1.00 0.00 O ATOM 330 CB VAL A 21 1.309 11.239 -1.801 1.00 0.00 C ATOM 331 CG1 VAL A 21 1.493 12.383 -2.796 1.00 0.00 C ATOM 332 CG2 VAL A 21 2.527 11.186 -0.878 1.00 0.00 C ATOM 0 H VAL A 21 0.081 9.350 -0.679 1.00 0.00 H new ATOM 0 HA VAL A 21 0.131 12.374 -0.377 1.00 0.00 H new ATOM 0 HB VAL A 21 1.206 10.304 -2.351 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.394 12.211 -3.385 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.629 12.431 -3.459 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.588 13.324 -2.255 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.428 11.033 -1.473 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.609 12.124 -0.330 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.414 10.362 -0.173 1.00 0.00 H new ATOM 342 N LYS A 22 -1.792 10.426 -2.087 1.00 0.00 N ATOM 343 CA LYS A 22 -3.053 10.382 -2.867 1.00 0.00 C ATOM 344 C LYS A 22 -3.769 9.070 -2.547 1.00 0.00 C ATOM 345 O LYS A 22 -3.168 8.004 -2.529 1.00 0.00 O ATOM 346 CB LYS A 22 -2.653 10.449 -4.334 1.00 0.00 C ATOM 347 CG LYS A 22 -3.875 10.147 -5.200 1.00 0.00 C ATOM 348 CD LYS A 22 -3.422 9.465 -6.491 1.00 0.00 C ATOM 349 CE LYS A 22 -4.304 9.926 -7.652 1.00 0.00 C ATOM 350 NZ LYS A 22 -3.352 10.270 -8.745 1.00 0.00 N ATOM 0 H LYS A 22 -1.438 9.514 -1.799 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.728 11.204 -2.628 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.259 11.437 -4.571 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.859 9.731 -4.540 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.569 9.503 -4.659 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -4.409 11.069 -5.430 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.379 9.707 -6.695 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.483 8.382 -6.383 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -4.993 9.140 -7.961 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -4.910 10.787 -7.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.883 10.596 -9.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.713 11.026 -8.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -2.794 9.429 -8.997 1.00 0.00 H new ATOM 364 N GLU A 23 -5.043 9.152 -2.279 1.00 0.00 N ATOM 365 CA GLU A 23 -5.829 7.935 -1.924 1.00 0.00 C ATOM 366 C GLU A 23 -5.645 6.834 -2.963 1.00 0.00 C ATOM 367 O GLU A 23 -5.269 7.082 -4.092 1.00 0.00 O ATOM 368 CB GLU A 23 -7.285 8.401 -1.893 1.00 0.00 C ATOM 369 CG GLU A 23 -8.113 7.430 -1.048 1.00 0.00 C ATOM 370 CD GLU A 23 -9.317 8.166 -0.457 1.00 0.00 C ATOM 371 OE1 GLU A 23 -9.715 9.166 -1.030 1.00 0.00 O ATOM 372 OE2 GLU A 23 -9.822 7.715 0.558 1.00 0.00 O ATOM 0 H GLU A 23 -5.579 10.020 -2.291 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.507 7.513 -0.972 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.348 9.407 -1.477 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.684 8.450 -2.906 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.450 6.594 -1.661 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.500 7.013 -0.249 1.00 0.00 H new ATOM 379 N ILE A 24 -5.911 5.616 -2.583 1.00 0.00 N ATOM 380 CA ILE A 24 -5.755 4.490 -3.538 1.00 0.00 C ATOM 381 C ILE A 24 -6.562 4.768 -4.807 1.00 0.00 C ATOM 382 O ILE A 24 -7.724 5.120 -4.758 1.00 0.00 O ATOM 383 CB ILE A 24 -6.286 3.248 -2.795 1.00 0.00 C ATOM 384 CG1 ILE A 24 -5.114 2.477 -2.189 1.00 0.00 C ATOM 385 CG2 ILE A 24 -7.029 2.318 -3.760 1.00 0.00 C ATOM 386 CD1 ILE A 24 -4.091 2.159 -3.285 1.00 0.00 C ATOM 0 H ILE A 24 -6.230 5.354 -1.650 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.721 4.348 -3.851 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.970 3.582 -2.014 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.646 3.066 -1.400 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.470 1.555 -1.730 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -7.396 1.447 -3.216 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -7.871 2.850 -4.203 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -6.350 1.994 -4.548 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.255 1.609 -2.854 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.563 1.553 -4.059 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.727 3.088 -3.723 1.00 0.00 H new ATOM 398 N ALA A 25 -5.957 4.582 -5.940 1.00 0.00 N ATOM 399 CA ALA A 25 -6.680 4.799 -7.215 1.00 0.00 C ATOM 400 C ALA A 25 -6.961 3.439 -7.843 1.00 0.00 C ATOM 401 O ALA A 25 -6.452 2.437 -7.393 1.00 0.00 O ATOM 402 CB ALA A 25 -5.723 5.615 -8.085 1.00 0.00 C ATOM 0 H ALA A 25 -4.986 4.287 -6.038 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.632 5.316 -7.092 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.190 5.816 -9.049 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.495 6.558 -7.589 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.802 5.053 -8.238 1.00 0.00 H new ATOM 408 N GLU A 26 -7.761 3.374 -8.864 1.00 0.00 N ATOM 409 CA GLU A 26 -8.039 2.046 -9.475 1.00 0.00 C ATOM 410 C GLU A 26 -7.512 1.998 -10.906 1.00 0.00 C ATOM 411 O GLU A 26 -7.714 2.906 -11.687 1.00 0.00 O ATOM 412 CB GLU A 26 -9.559 1.903 -9.448 1.00 0.00 C ATOM 413 CG GLU A 26 -10.203 3.193 -9.953 1.00 0.00 C ATOM 414 CD GLU A 26 -10.716 4.008 -8.765 1.00 0.00 C ATOM 415 OE1 GLU A 26 -9.921 4.718 -8.171 1.00 0.00 O ATOM 416 OE2 GLU A 26 -11.895 3.908 -8.468 1.00 0.00 O ATOM 0 H GLU A 26 -8.230 4.169 -9.299 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.549 1.235 -8.936 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.867 1.063 -10.071 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -9.896 1.689 -8.434 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -9.478 3.776 -10.521 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.025 2.960 -10.630 1.00 0.00 H new ATOM 423 N THR A 27 -6.829 0.943 -11.253 1.00 0.00 N ATOM 424 CA THR A 27 -6.279 0.838 -12.635 1.00 0.00 C ATOM 425 C THR A 27 -7.263 0.090 -13.540 1.00 0.00 C ATOM 426 O THR A 27 -8.258 -0.439 -13.088 1.00 0.00 O ATOM 427 CB THR A 27 -4.976 0.050 -12.486 1.00 0.00 C ATOM 428 OG1 THR A 27 -5.277 -1.325 -12.301 1.00 0.00 O ATOM 429 CG2 THR A 27 -4.188 0.569 -11.281 1.00 0.00 C ATOM 0 H THR A 27 -6.628 0.151 -10.642 1.00 0.00 H new ATOM 0 HA THR A 27 -6.112 1.815 -13.089 1.00 0.00 H new ATOM 0 HB THR A 27 -4.374 0.176 -13.386 1.00 0.00 H new ATOM 0 HG1 THR A 27 -6.248 -1.454 -12.331 1.00 0.00 H new ATOM 0 HG21 THR A 27 -3.262 0.003 -11.181 1.00 0.00 H new ATOM 0 HG22 THR A 27 -3.955 1.624 -11.426 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.785 0.450 -10.377 1.00 0.00 H new ATOM 437 N GLN A 28 -6.994 0.048 -14.816 1.00 0.00 N ATOM 438 CA GLN A 28 -7.918 -0.661 -15.750 1.00 0.00 C ATOM 439 C GLN A 28 -7.545 -2.144 -15.844 1.00 0.00 C ATOM 440 O GLN A 28 -7.761 -2.784 -16.855 1.00 0.00 O ATOM 441 CB GLN A 28 -7.721 0.027 -17.100 1.00 0.00 C ATOM 442 CG GLN A 28 -7.828 1.543 -16.922 1.00 0.00 C ATOM 443 CD GLN A 28 -7.460 2.238 -18.233 1.00 0.00 C ATOM 444 OE1 GLN A 28 -6.313 2.242 -18.632 1.00 0.00 O ATOM 445 NE2 GLN A 28 -8.394 2.831 -18.926 1.00 0.00 N ATOM 0 H GLN A 28 -6.176 0.473 -15.253 1.00 0.00 H new ATOM 0 HA GLN A 28 -8.955 -0.616 -15.416 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.747 -0.233 -17.514 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.472 -0.320 -17.810 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -8.841 1.814 -16.626 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -7.164 1.874 -16.124 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -9.357 2.828 -18.591 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -8.160 3.298 -19.802 1.00 0.00 H new ATOM 454 N HIS A 29 -6.988 -2.695 -14.801 1.00 0.00 N ATOM 455 CA HIS A 29 -6.604 -4.135 -14.835 1.00 0.00 C ATOM 456 C HIS A 29 -7.125 -4.850 -13.586 1.00 0.00 C ATOM 457 O HIS A 29 -6.830 -6.005 -13.352 1.00 0.00 O ATOM 458 CB HIS A 29 -5.076 -4.137 -14.856 1.00 0.00 C ATOM 459 CG HIS A 29 -4.592 -4.681 -16.172 1.00 0.00 C ATOM 460 ND1 HIS A 29 -3.973 -5.916 -16.278 1.00 0.00 N ATOM 461 CD2 HIS A 29 -4.629 -4.169 -17.445 1.00 0.00 C ATOM 462 CE1 HIS A 29 -3.664 -6.105 -17.574 1.00 0.00 C ATOM 463 NE2 HIS A 29 -4.042 -5.070 -18.329 1.00 0.00 N ATOM 0 H HIS A 29 -6.782 -2.211 -13.927 1.00 0.00 H new ATOM 0 HA HIS A 29 -7.024 -4.654 -15.696 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -4.699 -3.125 -14.708 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -4.691 -4.744 -14.036 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -5.050 -3.213 -17.719 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -3.171 -6.986 -17.957 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -3.926 -4.963 -19.337 1.00 0.00 H new ATOM 471 N GLY A 30 -7.890 -4.170 -12.777 1.00 0.00 N ATOM 472 CA GLY A 30 -8.420 -4.808 -11.541 1.00 0.00 C ATOM 473 C GLY A 30 -7.496 -4.477 -10.368 1.00 0.00 C ATOM 474 O GLY A 30 -7.637 -5.003 -9.282 1.00 0.00 O ATOM 0 H GLY A 30 -8.171 -3.200 -12.919 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.429 -4.450 -11.337 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.486 -5.888 -11.674 1.00 0.00 H new ATOM 478 N THR A 31 -6.548 -3.606 -10.583 1.00 0.00 N ATOM 479 CA THR A 31 -5.607 -3.234 -9.488 1.00 0.00 C ATOM 480 C THR A 31 -5.988 -1.874 -8.909 1.00 0.00 C ATOM 481 O THR A 31 -6.974 -1.273 -9.285 1.00 0.00 O ATOM 482 CB THR A 31 -4.230 -3.144 -10.153 1.00 0.00 C ATOM 483 OG1 THR A 31 -4.362 -3.332 -11.556 1.00 0.00 O ATOM 484 CG2 THR A 31 -3.318 -4.225 -9.579 1.00 0.00 C ATOM 0 H THR A 31 -6.384 -3.135 -11.473 1.00 0.00 H new ATOM 0 HA THR A 31 -5.626 -3.957 -8.673 1.00 0.00 H new ATOM 0 HB THR A 31 -3.799 -2.162 -9.960 1.00 0.00 H new ATOM 0 HG1 THR A 31 -4.641 -2.491 -11.974 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.338 -4.162 -10.051 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.213 -4.079 -8.504 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.751 -5.206 -9.771 1.00 0.00 H new ATOM 492 N ILE A 32 -5.188 -1.377 -8.013 1.00 0.00 N ATOM 493 CA ILE A 32 -5.457 -0.046 -7.413 1.00 0.00 C ATOM 494 C ILE A 32 -4.119 0.653 -7.233 1.00 0.00 C ATOM 495 O ILE A 32 -3.091 0.016 -7.192 1.00 0.00 O ATOM 496 CB ILE A 32 -6.145 -0.266 -6.052 1.00 0.00 C ATOM 497 CG1 ILE A 32 -6.288 -1.760 -5.735 1.00 0.00 C ATOM 498 CG2 ILE A 32 -7.534 0.368 -6.094 1.00 0.00 C ATOM 499 CD1 ILE A 32 -6.408 -1.952 -4.223 1.00 0.00 C ATOM 0 H ILE A 32 -4.349 -1.842 -7.667 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.105 0.564 -8.042 1.00 0.00 H new ATOM 0 HB ILE A 32 -5.532 0.193 -5.276 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -7.168 -2.166 -6.235 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.425 -2.307 -6.114 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -8.031 0.219 -5.136 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -7.441 1.436 -6.292 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -8.123 -0.097 -6.885 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -6.510 -3.014 -3.998 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.515 -1.561 -3.735 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -7.285 -1.418 -3.857 1.00 0.00 H new ATOM 511 N VAL A 33 -4.105 1.945 -7.164 1.00 0.00 N ATOM 512 CA VAL A 33 -2.801 2.647 -7.038 1.00 0.00 C ATOM 513 C VAL A 33 -2.729 3.509 -5.782 1.00 0.00 C ATOM 514 O VAL A 33 -3.581 4.337 -5.533 1.00 0.00 O ATOM 515 CB VAL A 33 -2.745 3.519 -8.280 1.00 0.00 C ATOM 516 CG1 VAL A 33 -1.531 4.441 -8.201 1.00 0.00 C ATOM 517 CG2 VAL A 33 -2.645 2.624 -9.515 1.00 0.00 C ATOM 0 H VAL A 33 -4.929 2.545 -7.189 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.969 1.947 -6.955 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.647 4.127 -8.347 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.491 5.067 -9.093 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.611 5.073 -7.317 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.623 3.842 -8.137 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.604 3.243 -10.411 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.742 2.017 -9.452 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.517 1.972 -9.564 1.00 0.00 H new ATOM 527 N ILE A 34 -1.697 3.337 -5.000 1.00 0.00 N ATOM 528 CA ILE A 34 -1.550 4.157 -3.779 1.00 0.00 C ATOM 529 C ILE A 34 -0.352 5.081 -3.924 1.00 0.00 C ATOM 530 O ILE A 34 0.766 4.644 -4.065 1.00 0.00 O ATOM 531 CB ILE A 34 -1.368 3.153 -2.636 1.00 0.00 C ATOM 532 CG1 ILE A 34 -2.167 3.658 -1.454 1.00 0.00 C ATOM 533 CG2 ILE A 34 0.105 3.012 -2.233 1.00 0.00 C ATOM 534 CD1 ILE A 34 -1.467 4.874 -0.861 1.00 0.00 C ATOM 0 H ILE A 34 -0.951 2.660 -5.161 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.411 4.799 -3.592 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.711 2.171 -2.962 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.177 3.922 -1.768 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.261 2.875 -0.702 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.192 2.291 -1.420 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.685 2.666 -3.089 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.486 3.979 -1.904 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.038 5.243 -0.009 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.466 4.594 -0.533 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.396 5.657 -1.616 1.00 0.00 H new ATOM 546 N ARG A 35 -0.580 6.353 -3.875 1.00 0.00 N ATOM 547 CA ARG A 35 0.547 7.307 -4.003 1.00 0.00 C ATOM 548 C ARG A 35 0.834 7.889 -2.627 1.00 0.00 C ATOM 549 O ARG A 35 0.028 8.599 -2.058 1.00 0.00 O ATOM 550 CB ARG A 35 0.061 8.357 -5.014 1.00 0.00 C ATOM 551 CG ARG A 35 0.454 9.772 -4.568 1.00 0.00 C ATOM 552 CD ARG A 35 0.259 10.746 -5.732 1.00 0.00 C ATOM 553 NE ARG A 35 1.468 10.571 -6.585 1.00 0.00 N ATOM 554 CZ ARG A 35 1.463 10.985 -7.824 1.00 0.00 C ATOM 555 NH1 ARG A 35 0.398 11.552 -8.323 1.00 0.00 N ATOM 556 NH2 ARG A 35 2.525 10.831 -8.567 1.00 0.00 N ATOM 0 H ARG A 35 -1.499 6.777 -3.752 1.00 0.00 H new ATOM 0 HA ARG A 35 1.479 6.864 -4.352 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.489 8.149 -5.994 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.022 8.292 -5.119 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.154 10.079 -3.717 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.493 9.786 -4.238 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.652 10.521 -6.287 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.171 11.773 -5.377 1.00 0.00 H new ATOM 0 HE ARG A 35 2.302 10.127 -6.201 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.434 11.673 -7.745 1.00 0.00 H new ATOM 0 HH12 ARG A 35 0.398 11.874 -9.291 1.00 0.00 H new ATOM 0 HH21 ARG A 35 3.358 10.388 -8.180 1.00 0.00 H new ATOM 0 HH22 ARG A 35 2.522 11.154 -9.534 1.00 0.00 H new ATOM 570 N VAL A 36 1.965 7.573 -2.077 1.00 0.00 N ATOM 571 CA VAL A 36 2.294 8.077 -0.735 1.00 0.00 C ATOM 572 C VAL A 36 3.686 8.638 -0.740 1.00 0.00 C ATOM 573 O VAL A 36 4.281 8.840 -1.771 1.00 0.00 O ATOM 574 CB VAL A 36 2.183 6.867 0.196 1.00 0.00 C ATOM 575 CG1 VAL A 36 0.989 6.008 -0.217 1.00 0.00 C ATOM 576 CG2 VAL A 36 3.462 6.025 0.115 1.00 0.00 C ATOM 0 H VAL A 36 2.677 6.983 -2.507 1.00 0.00 H new ATOM 0 HA VAL A 36 1.629 8.877 -0.411 1.00 0.00 H new ATOM 0 HB VAL A 36 2.046 7.219 1.218 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.913 5.147 0.448 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.076 6.599 -0.152 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.126 5.664 -1.242 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.375 5.166 0.780 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.605 5.678 -0.908 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.316 6.631 0.415 1.00 0.00 H new ATOM 586 N GLN A 37 4.198 8.896 0.404 1.00 0.00 N ATOM 587 CA GLN A 37 5.551 9.456 0.495 1.00 0.00 C ATOM 588 C GLN A 37 6.271 8.758 1.637 1.00 0.00 C ATOM 589 O GLN A 37 5.766 8.677 2.737 1.00 0.00 O ATOM 590 CB GLN A 37 5.299 10.924 0.797 1.00 0.00 C ATOM 591 CG GLN A 37 6.630 11.657 0.973 1.00 0.00 C ATOM 592 CD GLN A 37 6.368 13.092 1.430 1.00 0.00 C ATOM 593 OE1 GLN A 37 5.891 13.959 0.577 1.00 0.00 O flip ATOM 594 NE2 GLN A 37 6.599 13.430 2.573 1.00 0.00 N flip ATOM 0 H GLN A 37 3.732 8.741 1.298 1.00 0.00 H new ATOM 0 HA GLN A 37 6.167 9.331 -0.396 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.729 11.378 -0.013 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.699 11.020 1.702 1.00 0.00 H new ATOM 0 HG2 GLN A 37 7.248 11.138 1.706 1.00 0.00 H new ATOM 0 HG3 GLN A 37 7.183 11.659 0.034 1.00 0.00 H new ATOM 0 HE21 GLN A 37 6.971 12.754 3.239 1.00 0.00 H new ATOM 0 HE22 GLN A 37 6.421 14.390 2.867 1.00 0.00 H new ATOM 603 N TYR A 38 7.423 8.221 1.394 1.00 0.00 N ATOM 604 CA TYR A 38 8.112 7.498 2.499 1.00 0.00 C ATOM 605 C TYR A 38 8.384 8.442 3.672 1.00 0.00 C ATOM 606 O TYR A 38 8.944 9.508 3.513 1.00 0.00 O ATOM 607 CB TYR A 38 9.428 6.990 1.917 1.00 0.00 C ATOM 608 CG TYR A 38 10.254 6.393 3.031 1.00 0.00 C ATOM 609 CD1 TYR A 38 9.887 5.165 3.593 1.00 0.00 C ATOM 610 CD2 TYR A 38 11.385 7.066 3.504 1.00 0.00 C ATOM 611 CE1 TYR A 38 10.651 4.612 4.628 1.00 0.00 C ATOM 612 CE2 TYR A 38 12.148 6.514 4.538 1.00 0.00 C ATOM 613 CZ TYR A 38 11.781 5.287 5.100 1.00 0.00 C ATOM 614 OH TYR A 38 12.534 4.742 6.120 1.00 0.00 O ATOM 0 H TYR A 38 7.915 8.246 0.501 1.00 0.00 H new ATOM 0 HA TYR A 38 7.498 6.681 2.878 1.00 0.00 H new ATOM 0 HB2 TYR A 38 9.237 6.243 1.147 1.00 0.00 H new ATOM 0 HB3 TYR A 38 9.970 7.807 1.441 1.00 0.00 H new ATOM 0 HD1 TYR A 38 9.014 4.644 3.228 1.00 0.00 H new ATOM 0 HD2 TYR A 38 11.670 8.013 3.070 1.00 0.00 H new ATOM 0 HE1 TYR A 38 10.368 3.664 5.062 1.00 0.00 H new ATOM 0 HE2 TYR A 38 13.021 7.035 4.903 1.00 0.00 H new ATOM 0 HH TYR A 38 13.261 4.207 5.740 1.00 0.00 H new ATOM 624 N GLU A 39 7.989 8.049 4.852 1.00 0.00 N ATOM 625 CA GLU A 39 8.219 8.906 6.049 1.00 0.00 C ATOM 626 C GLU A 39 9.163 8.193 7.017 1.00 0.00 C ATOM 627 O GLU A 39 8.735 7.554 7.958 1.00 0.00 O ATOM 628 CB GLU A 39 6.840 9.078 6.684 1.00 0.00 C ATOM 629 CG GLU A 39 5.992 10.017 5.823 1.00 0.00 C ATOM 630 CD GLU A 39 6.778 11.298 5.537 1.00 0.00 C ATOM 631 OE1 GLU A 39 7.149 11.967 6.489 1.00 0.00 O ATOM 632 OE2 GLU A 39 6.996 11.589 4.373 1.00 0.00 O ATOM 0 H GLU A 39 7.514 7.166 5.039 1.00 0.00 H new ATOM 0 HA GLU A 39 8.672 9.864 5.796 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.348 8.110 6.777 1.00 0.00 H new ATOM 0 HB3 GLU A 39 6.940 9.483 7.691 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.723 9.526 4.888 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.061 10.256 6.336 1.00 0.00 H new ATOM 639 N GLY A 40 10.443 8.284 6.790 1.00 0.00 N ATOM 640 CA GLY A 40 11.404 7.596 7.694 1.00 0.00 C ATOM 641 C GLY A 40 12.807 7.675 7.112 1.00 0.00 C ATOM 642 O GLY A 40 13.186 8.649 6.493 1.00 0.00 O ATOM 0 H GLY A 40 10.864 8.804 6.020 1.00 0.00 H new ATOM 0 HA2 GLY A 40 11.383 8.058 8.681 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.113 6.554 7.824 1.00 0.00 H new ATOM 646 N ASP A 41 13.579 6.650 7.308 1.00 0.00 N ATOM 647 CA ASP A 41 14.969 6.650 6.768 1.00 0.00 C ATOM 648 C ASP A 41 15.233 5.375 5.963 1.00 0.00 C ATOM 649 O ASP A 41 14.809 4.298 6.332 1.00 0.00 O ATOM 650 CB ASP A 41 15.873 6.704 8.000 1.00 0.00 C ATOM 651 CG ASP A 41 16.117 8.163 8.390 1.00 0.00 C ATOM 652 OD1 ASP A 41 15.314 8.999 8.012 1.00 0.00 O ATOM 653 OD2 ASP A 41 17.102 8.418 9.062 1.00 0.00 O ATOM 0 H ASP A 41 13.311 5.809 7.819 1.00 0.00 H new ATOM 0 HA ASP A 41 15.146 7.488 6.094 1.00 0.00 H new ATOM 0 HB2 ASP A 41 15.410 6.168 8.828 1.00 0.00 H new ATOM 0 HB3 ASP A 41 16.821 6.209 7.790 1.00 0.00 H new ATOM 658 N GLY A 42 15.938 5.485 4.867 1.00 0.00 N ATOM 659 CA GLY A 42 16.227 4.273 4.051 1.00 0.00 C ATOM 660 C GLY A 42 16.772 4.666 2.673 1.00 0.00 C ATOM 661 O GLY A 42 17.403 3.872 2.004 1.00 0.00 O ATOM 0 H GLY A 42 16.323 6.357 4.505 1.00 0.00 H new ATOM 0 HA2 GLY A 42 16.951 3.644 4.568 1.00 0.00 H new ATOM 0 HA3 GLY A 42 15.319 3.682 3.934 1.00 0.00 H new ATOM 665 N SER A 43 16.538 5.874 2.231 1.00 0.00 N ATOM 666 CA SER A 43 17.053 6.272 0.893 1.00 0.00 C ATOM 667 C SER A 43 16.520 5.276 -0.148 1.00 0.00 C ATOM 668 O SER A 43 15.529 4.626 0.105 1.00 0.00 O ATOM 669 CB SER A 43 18.564 6.181 1.056 1.00 0.00 C ATOM 670 OG SER A 43 19.189 7.208 0.298 1.00 0.00 O ATOM 0 H SER A 43 16.018 6.593 2.734 1.00 0.00 H new ATOM 0 HA SER A 43 16.749 7.264 0.559 1.00 0.00 H new ATOM 0 HB2 SER A 43 18.833 6.277 2.108 1.00 0.00 H new ATOM 0 HB3 SER A 43 18.917 5.205 0.725 1.00 0.00 H new ATOM 0 HG SER A 43 20.127 6.973 0.140 1.00 0.00 H new ATOM 676 N PRO A 44 17.174 5.162 -1.282 1.00 0.00 N ATOM 677 CA PRO A 44 16.701 4.206 -2.306 1.00 0.00 C ATOM 678 C PRO A 44 16.341 2.886 -1.624 1.00 0.00 C ATOM 679 O PRO A 44 17.185 2.052 -1.365 1.00 0.00 O ATOM 680 CB PRO A 44 17.894 4.066 -3.243 1.00 0.00 C ATOM 681 CG PRO A 44 18.627 5.363 -3.113 1.00 0.00 C ATOM 682 CD PRO A 44 18.377 5.875 -1.714 1.00 0.00 C ATOM 0 HA PRO A 44 15.808 4.524 -2.845 1.00 0.00 H new ATOM 0 HB2 PRO A 44 18.525 3.224 -2.959 1.00 0.00 H new ATOM 0 HB3 PRO A 44 17.574 3.892 -4.270 1.00 0.00 H new ATOM 0 HG2 PRO A 44 19.694 5.222 -3.287 1.00 0.00 H new ATOM 0 HG3 PRO A 44 18.275 6.080 -3.855 1.00 0.00 H new ATOM 0 HD2 PRO A 44 19.221 5.667 -1.057 1.00 0.00 H new ATOM 0 HD3 PRO A 44 18.225 6.954 -1.706 1.00 0.00 H new ATOM 690 N CYS A 45 15.090 2.719 -1.300 1.00 0.00 N ATOM 691 CA CYS A 45 14.648 1.490 -0.595 1.00 0.00 C ATOM 692 C CYS A 45 13.292 1.035 -1.125 1.00 0.00 C ATOM 693 O CYS A 45 12.604 1.771 -1.797 1.00 0.00 O ATOM 694 CB CYS A 45 14.506 1.932 0.858 1.00 0.00 C ATOM 695 SG CYS A 45 13.310 3.290 0.947 1.00 0.00 S ATOM 0 H CYS A 45 14.348 3.391 -1.497 1.00 0.00 H new ATOM 0 HA CYS A 45 15.341 0.659 -0.727 1.00 0.00 H new ATOM 0 HB2 CYS A 45 14.174 1.097 1.475 1.00 0.00 H new ATOM 0 HB3 CYS A 45 15.471 2.254 1.250 1.00 0.00 H new ATOM 700 N LYS A 46 12.899 -0.168 -0.817 1.00 0.00 N ATOM 701 CA LYS A 46 11.582 -0.668 -1.298 1.00 0.00 C ATOM 702 C LYS A 46 10.459 -0.181 -0.378 1.00 0.00 C ATOM 703 O LYS A 46 10.698 0.502 0.595 1.00 0.00 O ATOM 704 CB LYS A 46 11.704 -2.191 -1.245 1.00 0.00 C ATOM 705 CG LYS A 46 12.197 -2.724 -2.590 1.00 0.00 C ATOM 706 CD LYS A 46 11.952 -4.232 -2.662 1.00 0.00 C ATOM 707 CE LYS A 46 11.627 -4.628 -4.105 1.00 0.00 C ATOM 708 NZ LYS A 46 12.909 -5.146 -4.659 1.00 0.00 N ATOM 0 H LYS A 46 13.434 -0.828 -0.252 1.00 0.00 H new ATOM 0 HA LYS A 46 11.341 -0.311 -2.299 1.00 0.00 H new ATOM 0 HB2 LYS A 46 12.396 -2.481 -0.454 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.738 -2.633 -1.002 1.00 0.00 H new ATOM 0 HG2 LYS A 46 11.677 -2.221 -3.405 1.00 0.00 H new ATOM 0 HG3 LYS A 46 13.259 -2.511 -2.710 1.00 0.00 H new ATOM 0 HD2 LYS A 46 12.833 -4.771 -2.315 1.00 0.00 H new ATOM 0 HD3 LYS A 46 11.129 -4.509 -2.003 1.00 0.00 H new ATOM 0 HE2 LYS A 46 10.846 -5.388 -4.140 1.00 0.00 H new ATOM 0 HE3 LYS A 46 11.266 -3.773 -4.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 12.767 -5.438 -5.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 13.631 -4.399 -4.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 13.225 -5.963 -4.098 1.00 0.00 H new ATOM 722 N ILE A 47 9.232 -0.495 -0.697 1.00 0.00 N ATOM 723 CA ILE A 47 8.101 -0.012 0.144 1.00 0.00 C ATOM 724 C ILE A 47 7.264 -1.171 0.698 1.00 0.00 C ATOM 725 O ILE A 47 6.806 -2.018 -0.042 1.00 0.00 O ATOM 726 CB ILE A 47 7.266 0.820 -0.820 1.00 0.00 C ATOM 727 CG1 ILE A 47 8.191 1.788 -1.555 1.00 0.00 C ATOM 728 CG2 ILE A 47 6.207 1.603 -0.043 1.00 0.00 C ATOM 729 CD1 ILE A 47 8.655 2.863 -0.582 1.00 0.00 C ATOM 0 H ILE A 47 8.965 -1.063 -1.501 1.00 0.00 H new ATOM 0 HA ILE A 47 8.450 0.544 1.014 1.00 0.00 H new ATOM 0 HB ILE A 47 6.765 0.169 -1.537 1.00 0.00 H new ATOM 0 HG12 ILE A 47 9.049 1.253 -1.963 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.669 2.242 -2.397 1.00 0.00 H new ATOM 0 HG21 ILE A 47 5.612 2.197 -0.737 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.558 0.908 0.489 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.696 2.263 0.673 1.00 0.00 H new ATOM 0 HD11 ILE A 47 9.316 3.559 -1.098 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.790 3.402 -0.196 1.00 0.00 H new ATOM 0 HD13 ILE A 47 9.191 2.398 0.245 1.00 0.00 H new ATOM 741 N PRO A 48 7.072 -1.152 1.992 1.00 0.00 N ATOM 742 CA PRO A 48 6.260 -2.198 2.670 1.00 0.00 C ATOM 743 C PRO A 48 4.811 -2.159 2.178 1.00 0.00 C ATOM 744 O PRO A 48 4.261 -1.107 1.913 1.00 0.00 O ATOM 745 CB PRO A 48 6.323 -1.801 4.142 1.00 0.00 C ATOM 746 CG PRO A 48 7.518 -0.914 4.248 1.00 0.00 C ATOM 747 CD PRO A 48 7.588 -0.172 2.946 1.00 0.00 C ATOM 0 HA PRO A 48 6.627 -3.207 2.479 1.00 0.00 H new ATOM 0 HB2 PRO A 48 5.416 -1.281 4.450 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.422 -2.676 4.784 1.00 0.00 H new ATOM 0 HG2 PRO A 48 7.421 -0.225 5.087 1.00 0.00 H new ATOM 0 HG3 PRO A 48 8.424 -1.496 4.416 1.00 0.00 H new ATOM 0 HD2 PRO A 48 6.983 0.734 2.963 1.00 0.00 H new ATOM 0 HD3 PRO A 48 8.607 0.130 2.706 1.00 0.00 H new ATOM 755 N PHE A 49 4.191 -3.296 2.056 1.00 0.00 N ATOM 756 CA PHE A 49 2.784 -3.338 1.582 1.00 0.00 C ATOM 757 C PHE A 49 2.100 -4.616 2.081 1.00 0.00 C ATOM 758 O PHE A 49 2.641 -5.698 1.971 1.00 0.00 O ATOM 759 CB PHE A 49 2.917 -3.372 0.072 1.00 0.00 C ATOM 760 CG PHE A 49 1.701 -2.737 -0.565 1.00 0.00 C ATOM 761 CD1 PHE A 49 0.568 -3.512 -0.851 1.00 0.00 C ATOM 762 CD2 PHE A 49 1.705 -1.369 -0.869 1.00 0.00 C ATOM 763 CE1 PHE A 49 -0.556 -2.918 -1.437 1.00 0.00 C ATOM 764 CE2 PHE A 49 0.580 -0.778 -1.455 1.00 0.00 C ATOM 765 CZ PHE A 49 -0.550 -1.551 -1.740 1.00 0.00 C ATOM 0 H PHE A 49 4.602 -4.205 2.266 1.00 0.00 H new ATOM 0 HA PHE A 49 2.187 -2.499 1.938 1.00 0.00 H new ATOM 0 HB2 PHE A 49 3.818 -2.841 -0.235 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.022 -4.402 -0.270 1.00 0.00 H new ATOM 0 HD1 PHE A 49 0.563 -4.567 -0.619 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.577 -0.770 -0.651 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.429 -3.515 -1.656 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.584 0.277 -1.687 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.417 -1.094 -2.193 1.00 0.00 H new ATOM 775 N GLU A 50 0.922 -4.506 2.630 1.00 0.00 N ATOM 776 CA GLU A 50 0.224 -5.722 3.130 1.00 0.00 C ATOM 777 C GLU A 50 -1.286 -5.603 2.895 1.00 0.00 C ATOM 778 O GLU A 50 -1.999 -4.991 3.665 1.00 0.00 O ATOM 779 CB GLU A 50 0.531 -5.812 4.636 1.00 0.00 C ATOM 780 CG GLU A 50 1.247 -4.550 5.148 1.00 0.00 C ATOM 781 CD GLU A 50 2.746 -4.668 4.873 1.00 0.00 C ATOM 782 OE1 GLU A 50 3.289 -5.736 5.104 1.00 0.00 O ATOM 783 OE2 GLU A 50 3.327 -3.688 4.435 1.00 0.00 O ATOM 0 H GLU A 50 0.415 -3.630 2.753 1.00 0.00 H new ATOM 0 HA GLU A 50 0.563 -6.616 2.607 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.398 -5.953 5.189 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.152 -6.686 4.829 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.844 -3.665 4.655 1.00 0.00 H new ATOM 0 HG3 GLU A 50 1.071 -4.427 6.217 1.00 0.00 H new ATOM 790 N ILE A 51 -1.777 -6.189 1.837 1.00 0.00 N ATOM 791 CA ILE A 51 -3.240 -6.114 1.553 1.00 0.00 C ATOM 792 C ILE A 51 -3.980 -7.230 2.295 1.00 0.00 C ATOM 793 O ILE A 51 -4.600 -8.082 1.692 1.00 0.00 O ATOM 794 CB ILE A 51 -3.362 -6.305 0.040 1.00 0.00 C ATOM 795 CG1 ILE A 51 -2.321 -5.437 -0.670 1.00 0.00 C ATOM 796 CG2 ILE A 51 -4.762 -5.893 -0.416 1.00 0.00 C ATOM 797 CD1 ILE A 51 -2.498 -5.562 -2.185 1.00 0.00 C ATOM 0 H ILE A 51 -1.229 -6.716 1.157 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.676 -5.170 1.881 1.00 0.00 H new ATOM 0 HB ILE A 51 -3.192 -7.353 -0.207 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -2.431 -4.396 -0.365 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.316 -5.748 -0.384 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -4.848 -6.029 -1.494 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -5.505 -6.510 0.088 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -4.932 -4.845 -0.168 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -1.756 -4.943 -2.690 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -2.366 -6.602 -2.482 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -3.498 -5.229 -2.463 1.00 0.00 H new ATOM 970 N GLY A 61 -4.580 -10.864 -2.337 1.00 0.00 N ATOM 971 CA GLY A 61 -4.280 -9.603 -3.072 1.00 0.00 C ATOM 972 C GLY A 61 -2.925 -9.724 -3.768 1.00 0.00 C ATOM 973 O GLY A 61 -2.114 -10.565 -3.432 1.00 0.00 O ATOM 0 HA2 GLY A 61 -5.061 -9.404 -3.806 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.271 -8.761 -2.380 1.00 0.00 H new ATOM 977 N ARG A 62 -2.672 -8.889 -4.736 1.00 0.00 N ATOM 978 CA ARG A 62 -1.367 -8.949 -5.457 1.00 0.00 C ATOM 979 C ARG A 62 -0.748 -7.559 -5.539 1.00 0.00 C ATOM 980 O ARG A 62 -1.393 -6.562 -5.280 1.00 0.00 O ATOM 981 CB ARG A 62 -1.704 -9.457 -6.857 1.00 0.00 C ATOM 982 CG ARG A 62 -0.712 -10.550 -7.252 1.00 0.00 C ATOM 983 CD ARG A 62 0.453 -9.928 -8.025 1.00 0.00 C ATOM 984 NE ARG A 62 0.762 -10.904 -9.107 1.00 0.00 N ATOM 985 CZ ARG A 62 -0.004 -10.977 -10.163 1.00 0.00 C ATOM 986 NH1 ARG A 62 -1.047 -10.199 -10.273 1.00 0.00 N ATOM 987 NH2 ARG A 62 0.273 -11.831 -11.110 1.00 0.00 N ATOM 0 H ARG A 62 -3.313 -8.165 -5.061 1.00 0.00 H new ATOM 0 HA ARG A 62 -0.650 -9.594 -4.950 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -2.721 -9.848 -6.879 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -1.663 -8.637 -7.573 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -0.341 -11.058 -6.362 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -1.209 -11.302 -7.865 1.00 0.00 H new ATOM 0 HD2 ARG A 62 0.180 -8.956 -8.436 1.00 0.00 H new ATOM 0 HD3 ARG A 62 1.316 -9.769 -7.378 1.00 0.00 H new ATOM 0 HE ARG A 62 1.573 -11.517 -9.023 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -1.266 -9.532 -9.533 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -1.643 -10.259 -11.099 1.00 0.00 H new ATOM 0 HH21 ARG A 62 1.087 -12.440 -11.025 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -0.324 -11.889 -11.935 1.00 0.00 H new ATOM 1001 N LEU A 63 0.498 -7.483 -5.902 1.00 0.00 N ATOM 1002 CA LEU A 63 1.158 -6.160 -6.008 1.00 0.00 C ATOM 1003 C LEU A 63 1.830 -6.021 -7.373 1.00 0.00 C ATOM 1004 O LEU A 63 2.809 -6.677 -7.663 1.00 0.00 O ATOM 1005 CB LEU A 63 2.198 -6.146 -4.890 1.00 0.00 C ATOM 1006 CG LEU A 63 2.183 -4.784 -4.207 1.00 0.00 C ATOM 1007 CD1 LEU A 63 2.333 -3.695 -5.264 1.00 0.00 C ATOM 1008 CD2 LEU A 63 0.856 -4.599 -3.471 1.00 0.00 C ATOM 0 H LEU A 63 1.088 -8.283 -6.130 1.00 0.00 H new ATOM 0 HA LEU A 63 0.453 -5.334 -5.914 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.981 -6.931 -4.166 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.188 -6.351 -5.296 1.00 0.00 H new ATOM 0 HG LEU A 63 3.005 -4.720 -3.494 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.323 -2.717 -4.783 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.276 -3.829 -5.794 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.507 -3.759 -5.972 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.844 -3.625 -2.982 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.033 -4.657 -4.184 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.743 -5.383 -2.722 1.00 0.00 H new ATOM 1020 N ILE A 64 1.320 -5.164 -8.209 1.00 0.00 N ATOM 1021 CA ILE A 64 1.946 -4.976 -9.548 1.00 0.00 C ATOM 1022 C ILE A 64 3.274 -4.259 -9.364 1.00 0.00 C ATOM 1023 O ILE A 64 4.186 -4.373 -10.159 1.00 0.00 O ATOM 1024 CB ILE A 64 0.964 -4.097 -10.321 1.00 0.00 C ATOM 1025 CG1 ILE A 64 -0.458 -4.655 -10.181 1.00 0.00 C ATOM 1026 CG2 ILE A 64 1.359 -4.062 -11.796 1.00 0.00 C ATOM 1027 CD1 ILE A 64 -0.436 -6.185 -10.249 1.00 0.00 C ATOM 0 H ILE A 64 0.500 -4.586 -8.026 1.00 0.00 H new ATOM 0 HA ILE A 64 2.139 -5.913 -10.071 1.00 0.00 H new ATOM 0 HB ILE A 64 0.992 -3.086 -9.914 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.891 -4.332 -9.234 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.092 -4.258 -10.974 1.00 0.00 H new ATOM 0 HG21 ILE A 64 0.657 -3.435 -12.346 1.00 0.00 H new ATOM 0 HG22 ILE A 64 2.365 -3.653 -11.894 1.00 0.00 H new ATOM 0 HG23 ILE A 64 1.337 -5.073 -12.203 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.451 -6.568 -10.148 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.022 -6.501 -11.207 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.181 -6.576 -9.440 1.00 0.00 H new ATOM 1039 N THR A 65 3.374 -3.525 -8.300 1.00 0.00 N ATOM 1040 CA THR A 65 4.618 -2.778 -7.999 1.00 0.00 C ATOM 1041 C THR A 65 5.269 -3.406 -6.756 1.00 0.00 C ATOM 1042 O THR A 65 5.923 -2.754 -5.970 1.00 0.00 O ATOM 1043 CB THR A 65 4.110 -1.337 -7.786 1.00 0.00 C ATOM 1044 OG1 THR A 65 4.482 -0.543 -8.901 1.00 0.00 O ATOM 1045 CG2 THR A 65 4.675 -0.708 -6.515 1.00 0.00 C ATOM 0 H THR A 65 2.631 -3.409 -7.611 1.00 0.00 H new ATOM 0 HA THR A 65 5.389 -2.800 -8.769 1.00 0.00 H new ATOM 0 HB THR A 65 3.026 -1.380 -7.683 1.00 0.00 H new ATOM 0 HG1 THR A 65 4.160 0.374 -8.772 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.289 0.306 -6.408 1.00 0.00 H new ATOM 0 HG22 THR A 65 4.377 -1.303 -5.651 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.763 -0.677 -6.577 1.00 0.00 H new ATOM 1053 N VAL A 66 5.074 -4.696 -6.610 1.00 0.00 N ATOM 1054 CA VAL A 66 5.634 -5.469 -5.449 1.00 0.00 C ATOM 1055 C VAL A 66 6.694 -4.680 -4.690 1.00 0.00 C ATOM 1056 O VAL A 66 7.769 -4.417 -5.189 1.00 0.00 O ATOM 1057 CB VAL A 66 6.260 -6.719 -6.065 1.00 0.00 C ATOM 1058 CG1 VAL A 66 7.177 -7.396 -5.042 1.00 0.00 C ATOM 1059 CG2 VAL A 66 5.155 -7.695 -6.476 1.00 0.00 C ATOM 0 H VAL A 66 4.535 -5.262 -7.265 1.00 0.00 H new ATOM 0 HA VAL A 66 4.851 -5.697 -4.725 1.00 0.00 H new ATOM 0 HB VAL A 66 6.842 -6.434 -6.941 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.621 -8.287 -5.485 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.967 -6.705 -4.748 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.596 -7.679 -4.164 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.602 -8.587 -6.915 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.573 -7.976 -5.598 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.502 -7.218 -7.207 1.00 0.00 H new ATOM 1069 N ASN A 67 6.399 -4.315 -3.480 1.00 0.00 N ATOM 1070 CA ASN A 67 7.389 -3.560 -2.679 1.00 0.00 C ATOM 1071 C ASN A 67 8.042 -2.468 -3.533 1.00 0.00 C ATOM 1072 O ASN A 67 9.214 -2.545 -3.847 1.00 0.00 O ATOM 1073 CB ASN A 67 8.414 -4.614 -2.260 1.00 0.00 C ATOM 1074 CG ASN A 67 9.046 -4.217 -0.925 1.00 0.00 C ATOM 1075 OD1 ASN A 67 8.805 -3.138 -0.422 1.00 0.00 O ATOM 1076 ND2 ASN A 67 9.848 -5.052 -0.323 1.00 0.00 N ATOM 0 H ASN A 67 5.514 -4.507 -3.011 1.00 0.00 H new ATOM 0 HA ASN A 67 6.944 -3.054 -1.822 1.00 0.00 H new ATOM 0 HB2 ASN A 67 7.933 -5.588 -2.170 1.00 0.00 H new ATOM 0 HB3 ASN A 67 9.185 -4.709 -3.024 1.00 0.00 H new ATOM 0 HD21 ASN A 67 10.272 -4.798 0.569 1.00 0.00 H new ATOM 0 HD22 ASN A 67 10.051 -5.958 -0.745 1.00 0.00 H new ATOM 1083 N PRO A 68 7.256 -1.481 -3.878 1.00 0.00 N ATOM 1084 CA PRO A 68 7.768 -0.360 -4.698 1.00 0.00 C ATOM 1085 C PRO A 68 9.039 0.189 -4.057 1.00 0.00 C ATOM 1086 O PRO A 68 9.524 -0.364 -3.096 1.00 0.00 O ATOM 1087 CB PRO A 68 6.644 0.679 -4.685 1.00 0.00 C ATOM 1088 CG PRO A 68 5.544 0.122 -3.826 1.00 0.00 C ATOM 1089 CD PRO A 68 5.846 -1.325 -3.536 1.00 0.00 C ATOM 0 HA PRO A 68 8.024 -0.652 -5.717 1.00 0.00 H new ATOM 0 HB2 PRO A 68 7.001 1.629 -4.287 1.00 0.00 H new ATOM 0 HB3 PRO A 68 6.285 0.872 -5.696 1.00 0.00 H new ATOM 0 HG2 PRO A 68 5.468 0.686 -2.896 1.00 0.00 H new ATOM 0 HG3 PRO A 68 4.584 0.214 -4.334 1.00 0.00 H new ATOM 0 HD2 PRO A 68 5.663 -1.566 -2.489 1.00 0.00 H new ATOM 0 HD3 PRO A 68 5.218 -1.988 -4.131 1.00 0.00 H new ATOM 1097 N ILE A 69 9.596 1.255 -4.577 1.00 0.00 N ATOM 1098 CA ILE A 69 10.855 1.786 -3.971 1.00 0.00 C ATOM 1099 C ILE A 69 10.902 3.318 -3.965 1.00 0.00 C ATOM 1100 O ILE A 69 10.478 3.970 -4.899 1.00 0.00 O ATOM 1101 CB ILE A 69 11.976 1.261 -4.872 1.00 0.00 C ATOM 1102 CG1 ILE A 69 12.029 -0.278 -4.786 1.00 0.00 C ATOM 1103 CG2 ILE A 69 13.311 1.893 -4.445 1.00 0.00 C ATOM 1104 CD1 ILE A 69 13.374 -0.768 -4.225 1.00 0.00 C ATOM 0 H ILE A 69 9.241 1.773 -5.381 1.00 0.00 H new ATOM 0 HA ILE A 69 10.938 1.469 -2.931 1.00 0.00 H new ATOM 0 HB ILE A 69 11.784 1.535 -5.909 1.00 0.00 H new ATOM 0 HG12 ILE A 69 11.218 -0.636 -4.152 1.00 0.00 H new ATOM 0 HG13 ILE A 69 11.871 -0.704 -5.777 1.00 0.00 H new ATOM 0 HG21 ILE A 69 14.111 1.521 -5.085 1.00 0.00 H new ATOM 0 HG22 ILE A 69 13.247 2.977 -4.538 1.00 0.00 H new ATOM 0 HG23 ILE A 69 13.523 1.630 -3.409 1.00 0.00 H new ATOM 0 HD11 ILE A 69 13.374 -1.857 -4.179 1.00 0.00 H new ATOM 0 HD12 ILE A 69 14.183 -0.432 -4.874 1.00 0.00 H new ATOM 0 HD13 ILE A 69 13.520 -0.363 -3.224 1.00 0.00 H new ATOM 1116 N VAL A 70 11.477 3.888 -2.936 1.00 0.00 N ATOM 1117 CA VAL A 70 11.631 5.374 -2.885 1.00 0.00 C ATOM 1118 C VAL A 70 13.055 5.709 -3.328 1.00 0.00 C ATOM 1119 O VAL A 70 13.893 4.835 -3.415 1.00 0.00 O ATOM 1120 CB VAL A 70 11.422 5.783 -1.422 1.00 0.00 C ATOM 1121 CG1 VAL A 70 11.404 7.308 -1.312 1.00 0.00 C ATOM 1122 CG2 VAL A 70 10.089 5.234 -0.923 1.00 0.00 C ATOM 0 H VAL A 70 11.847 3.388 -2.128 1.00 0.00 H new ATOM 0 HA VAL A 70 10.923 5.894 -3.530 1.00 0.00 H new ATOM 0 HB VAL A 70 12.236 5.380 -0.819 1.00 0.00 H new ATOM 0 HG11 VAL A 70 11.255 7.596 -0.271 1.00 0.00 H new ATOM 0 HG12 VAL A 70 12.353 7.710 -1.668 1.00 0.00 H new ATOM 0 HG13 VAL A 70 10.591 7.707 -1.919 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.942 5.525 0.117 1.00 0.00 H new ATOM 0 HG22 VAL A 70 9.279 5.637 -1.531 1.00 0.00 H new ATOM 0 HG23 VAL A 70 10.092 4.147 -0.998 1.00 0.00 H new ATOM 1132 N THR A 71 13.348 6.946 -3.613 1.00 0.00 N ATOM 1133 CA THR A 71 14.735 7.278 -4.051 1.00 0.00 C ATOM 1134 C THR A 71 15.356 8.347 -3.151 1.00 0.00 C ATOM 1135 O THR A 71 16.559 8.516 -3.119 1.00 0.00 O ATOM 1136 CB THR A 71 14.592 7.803 -5.478 1.00 0.00 C ATOM 1137 OG1 THR A 71 13.639 7.016 -6.178 1.00 0.00 O ATOM 1138 CG2 THR A 71 15.946 7.720 -6.181 1.00 0.00 C ATOM 0 H THR A 71 12.700 7.732 -3.564 1.00 0.00 H new ATOM 0 HA THR A 71 15.390 6.408 -3.996 1.00 0.00 H new ATOM 0 HB THR A 71 14.256 8.840 -5.458 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.545 7.353 -7.093 1.00 0.00 H new ATOM 0 HG21 THR A 71 15.850 8.094 -7.201 1.00 0.00 H new ATOM 0 HG22 THR A 71 16.674 8.324 -5.640 1.00 0.00 H new ATOM 0 HG23 THR A 71 16.281 6.683 -6.205 1.00 0.00 H new ATOM 1146 N GLU A 72 14.558 9.076 -2.424 1.00 0.00 N ATOM 1147 CA GLU A 72 15.132 10.131 -1.542 1.00 0.00 C ATOM 1148 C GLU A 72 14.433 10.138 -0.184 1.00 0.00 C ATOM 1149 O GLU A 72 14.542 11.081 0.572 1.00 0.00 O ATOM 1150 CB GLU A 72 14.884 11.441 -2.286 1.00 0.00 C ATOM 1151 CG GLU A 72 15.582 11.390 -3.645 1.00 0.00 C ATOM 1152 CD GLU A 72 16.255 12.735 -3.925 1.00 0.00 C ATOM 1153 OE1 GLU A 72 15.774 13.734 -3.416 1.00 0.00 O ATOM 1154 OE2 GLU A 72 17.240 12.743 -4.646 1.00 0.00 O ATOM 0 H GLU A 72 13.542 8.989 -2.401 1.00 0.00 H new ATOM 0 HA GLU A 72 16.191 9.968 -1.342 1.00 0.00 H new ATOM 0 HB2 GLU A 72 13.814 11.600 -2.420 1.00 0.00 H new ATOM 0 HB3 GLU A 72 15.260 12.281 -1.702 1.00 0.00 H new ATOM 0 HG2 GLU A 72 16.324 10.591 -3.655 1.00 0.00 H new ATOM 0 HG3 GLU A 72 14.859 11.163 -4.429 1.00 0.00 H new ATOM 1161 N LYS A 73 13.712 9.093 0.120 1.00 0.00 N ATOM 1162 CA LYS A 73 12.990 9.004 1.427 1.00 0.00 C ATOM 1163 C LYS A 73 11.746 9.900 1.436 1.00 0.00 C ATOM 1164 O LYS A 73 10.904 9.792 2.303 1.00 0.00 O ATOM 1165 CB LYS A 73 13.982 9.473 2.496 1.00 0.00 C ATOM 1166 CG LYS A 73 15.365 8.874 2.223 1.00 0.00 C ATOM 1167 CD LYS A 73 16.376 9.999 1.987 1.00 0.00 C ATOM 1168 CE LYS A 73 17.571 9.820 2.925 1.00 0.00 C ATOM 1169 NZ LYS A 73 17.221 10.598 4.146 1.00 0.00 N ATOM 0 H LYS A 73 13.589 8.284 -0.489 1.00 0.00 H new ATOM 0 HA LYS A 73 12.648 7.985 1.609 1.00 0.00 H new ATOM 0 HB2 LYS A 73 14.041 10.561 2.497 1.00 0.00 H new ATOM 0 HB3 LYS A 73 13.634 9.172 3.484 1.00 0.00 H new ATOM 0 HG2 LYS A 73 15.679 8.260 3.067 1.00 0.00 H new ATOM 0 HG3 LYS A 73 15.324 8.220 1.352 1.00 0.00 H new ATOM 0 HD2 LYS A 73 16.710 9.989 0.950 1.00 0.00 H new ATOM 0 HD3 LYS A 73 15.906 10.967 2.161 1.00 0.00 H new ATOM 0 HE2 LYS A 73 17.734 8.768 3.160 1.00 0.00 H new ATOM 0 HE3 LYS A 73 18.489 10.191 2.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 17.994 10.524 4.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 17.078 11.596 3.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 16.347 10.218 4.561 1.00 0.00 H new ATOM 1183 N ASP A 74 11.621 10.783 0.491 1.00 0.00 N ATOM 1184 CA ASP A 74 10.432 11.674 0.466 1.00 0.00 C ATOM 1185 C ASP A 74 9.820 11.696 -0.933 1.00 0.00 C ATOM 1186 O ASP A 74 8.827 12.351 -1.175 1.00 0.00 O ATOM 1187 CB ASP A 74 10.964 13.054 0.844 1.00 0.00 C ATOM 1188 CG ASP A 74 9.818 13.918 1.376 1.00 0.00 C ATOM 1189 OD1 ASP A 74 9.019 14.368 0.571 1.00 0.00 O ATOM 1190 OD2 ASP A 74 9.759 14.114 2.579 1.00 0.00 O ATOM 0 H ASP A 74 12.290 10.927 -0.265 1.00 0.00 H new ATOM 0 HA ASP A 74 9.650 11.340 1.148 1.00 0.00 H new ATOM 0 HB2 ASP A 74 11.743 12.960 1.600 1.00 0.00 H new ATOM 0 HB3 ASP A 74 11.419 13.530 -0.025 1.00 0.00 H new ATOM 1195 N SER A 75 10.395 10.973 -1.854 1.00 0.00 N ATOM 1196 CA SER A 75 9.826 10.949 -3.227 1.00 0.00 C ATOM 1197 C SER A 75 8.523 10.149 -3.204 1.00 0.00 C ATOM 1198 O SER A 75 8.540 8.944 -3.042 1.00 0.00 O ATOM 1199 CB SER A 75 10.878 10.245 -4.083 1.00 0.00 C ATOM 1200 OG SER A 75 10.573 10.441 -5.458 1.00 0.00 O ATOM 0 H SER A 75 11.229 10.402 -1.715 1.00 0.00 H new ATOM 0 HA SER A 75 9.601 11.942 -3.616 1.00 0.00 H new ATOM 0 HB2 SER A 75 11.869 10.639 -3.859 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.899 9.180 -3.851 1.00 0.00 H new ATOM 0 HG SER A 75 11.247 9.992 -6.010 1.00 0.00 H new ATOM 1206 N PRO A 76 7.428 10.848 -3.339 1.00 0.00 N ATOM 1207 CA PRO A 76 6.109 10.188 -3.302 1.00 0.00 C ATOM 1208 C PRO A 76 6.112 8.944 -4.196 1.00 0.00 C ATOM 1209 O PRO A 76 6.536 8.990 -5.334 1.00 0.00 O ATOM 1210 CB PRO A 76 5.135 11.245 -3.832 1.00 0.00 C ATOM 1211 CG PRO A 76 5.960 12.451 -4.181 1.00 0.00 C ATOM 1212 CD PRO A 76 7.314 12.289 -3.545 1.00 0.00 C ATOM 0 HA PRO A 76 5.837 9.848 -2.303 1.00 0.00 H new ATOM 0 HB2 PRO A 76 4.600 10.875 -4.707 1.00 0.00 H new ATOM 0 HB3 PRO A 76 4.385 11.493 -3.081 1.00 0.00 H new ATOM 0 HG2 PRO A 76 6.056 12.547 -5.263 1.00 0.00 H new ATOM 0 HG3 PRO A 76 5.477 13.360 -3.822 1.00 0.00 H new ATOM 0 HD2 PRO A 76 8.108 12.665 -4.191 1.00 0.00 H new ATOM 0 HD3 PRO A 76 7.383 12.835 -2.604 1.00 0.00 H new ATOM 1220 N VAL A 77 5.651 7.830 -3.692 1.00 0.00 N ATOM 1221 CA VAL A 77 5.644 6.588 -4.523 1.00 0.00 C ATOM 1222 C VAL A 77 4.217 6.067 -4.734 1.00 0.00 C ATOM 1223 O VAL A 77 3.373 6.158 -3.865 1.00 0.00 O ATOM 1224 CB VAL A 77 6.463 5.579 -3.733 1.00 0.00 C ATOM 1225 CG1 VAL A 77 6.509 4.269 -4.512 1.00 0.00 C ATOM 1226 CG2 VAL A 77 7.881 6.118 -3.562 1.00 0.00 C ATOM 0 H VAL A 77 5.281 7.725 -2.747 1.00 0.00 H new ATOM 0 HA VAL A 77 6.054 6.770 -5.516 1.00 0.00 H new ATOM 0 HB VAL A 77 6.015 5.411 -2.754 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.094 3.536 -3.957 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.495 3.894 -4.653 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.971 4.440 -5.484 1.00 0.00 H new ATOM 0 HG21 VAL A 77 8.477 5.402 -2.996 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.332 6.272 -4.542 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.848 7.066 -3.025 1.00 0.00 H new ATOM 1236 N ASN A 78 3.950 5.514 -5.889 1.00 0.00 N ATOM 1237 CA ASN A 78 2.590 4.971 -6.176 1.00 0.00 C ATOM 1238 C ASN A 78 2.627 3.440 -6.124 1.00 0.00 C ATOM 1239 O ASN A 78 3.525 2.834 -6.674 1.00 0.00 O ATOM 1240 CB ASN A 78 2.280 5.426 -7.602 1.00 0.00 C ATOM 1241 CG ASN A 78 2.715 6.881 -7.791 1.00 0.00 C ATOM 1242 OD1 ASN A 78 1.954 7.793 -7.535 1.00 0.00 O ATOM 1243 ND2 ASN A 78 3.916 7.138 -8.232 1.00 0.00 N ATOM 0 H ASN A 78 4.621 5.415 -6.651 1.00 0.00 H new ATOM 0 HA ASN A 78 1.845 5.314 -5.458 1.00 0.00 H new ATOM 0 HB2 ASN A 78 2.797 4.787 -8.317 1.00 0.00 H new ATOM 0 HB3 ASN A 78 1.213 5.328 -7.800 1.00 0.00 H new ATOM 0 HD21 ASN A 78 4.216 8.104 -8.362 1.00 0.00 H new ATOM 0 HD22 ASN A 78 4.555 6.373 -8.447 1.00 0.00 H new ATOM 1250 N ILE A 79 1.684 2.781 -5.487 1.00 0.00 N ATOM 1251 CA ILE A 79 1.770 1.293 -5.479 1.00 0.00 C ATOM 1252 C ILE A 79 0.558 0.663 -6.159 1.00 0.00 C ATOM 1253 O ILE A 79 -0.572 0.825 -5.742 1.00 0.00 O ATOM 1254 CB ILE A 79 1.852 0.878 -4.015 1.00 0.00 C ATOM 1255 CG1 ILE A 79 2.911 1.735 -3.302 1.00 0.00 C ATOM 1256 CG2 ILE A 79 2.250 -0.599 -3.964 1.00 0.00 C ATOM 1257 CD1 ILE A 79 3.264 1.112 -1.948 1.00 0.00 C ATOM 0 H ILE A 79 0.892 3.192 -4.993 1.00 0.00 H new ATOM 0 HA ILE A 79 2.642 0.951 -6.036 1.00 0.00 H new ATOM 0 HB ILE A 79 0.893 1.023 -3.518 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.805 1.812 -3.920 1.00 0.00 H new ATOM 0 HG13 ILE A 79 2.535 2.748 -3.159 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.316 -0.922 -2.925 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.500 -1.196 -4.483 1.00 0.00 H new ATOM 0 HG23 ILE A 79 3.218 -0.732 -4.448 1.00 0.00 H new ATOM 0 HD11 ILE A 79 4.015 1.725 -1.450 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.369 1.059 -1.328 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.660 0.108 -2.102 1.00 0.00 H new ATOM 1269 N GLU A 80 0.807 -0.067 -7.209 1.00 0.00 N ATOM 1270 CA GLU A 80 -0.288 -0.742 -7.952 1.00 0.00 C ATOM 1271 C GLU A 80 -0.469 -2.166 -7.420 1.00 0.00 C ATOM 1272 O GLU A 80 0.405 -2.999 -7.553 1.00 0.00 O ATOM 1273 CB GLU A 80 0.189 -0.766 -9.404 1.00 0.00 C ATOM 1274 CG GLU A 80 -0.848 -1.477 -10.271 1.00 0.00 C ATOM 1275 CD GLU A 80 -1.506 -0.469 -11.212 1.00 0.00 C ATOM 1276 OE1 GLU A 80 -1.271 0.715 -11.037 1.00 0.00 O ATOM 1277 OE2 GLU A 80 -2.235 -0.896 -12.092 1.00 0.00 O ATOM 0 H GLU A 80 1.740 -0.226 -7.589 1.00 0.00 H new ATOM 0 HA GLU A 80 -1.247 -0.235 -7.847 1.00 0.00 H new ATOM 0 HB2 GLU A 80 0.343 0.251 -9.764 1.00 0.00 H new ATOM 0 HB3 GLU A 80 1.149 -1.278 -9.474 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -0.373 -2.271 -10.847 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.602 -1.948 -9.641 1.00 0.00 H new ATOM 1284 N ALA A 81 -1.586 -2.454 -6.810 1.00 0.00 N ATOM 1285 CA ALA A 81 -1.794 -3.827 -6.267 1.00 0.00 C ATOM 1286 C ALA A 81 -3.152 -4.383 -6.697 1.00 0.00 C ATOM 1287 O ALA A 81 -4.098 -3.653 -6.907 1.00 0.00 O ATOM 1288 CB ALA A 81 -1.734 -3.666 -4.744 1.00 0.00 C ATOM 0 H ALA A 81 -2.358 -1.804 -6.665 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.044 -4.527 -6.635 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -1.879 -4.637 -4.270 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.762 -3.264 -4.459 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.519 -2.983 -4.419 1.00 0.00 H new ATOM 1294 N GLU A 82 -3.250 -5.677 -6.833 1.00 0.00 N ATOM 1295 CA GLU A 82 -4.544 -6.290 -7.250 1.00 0.00 C ATOM 1296 C GLU A 82 -5.268 -6.871 -6.031 1.00 0.00 C ATOM 1297 O GLU A 82 -4.947 -7.950 -5.574 1.00 0.00 O ATOM 1298 CB GLU A 82 -4.155 -7.399 -8.226 1.00 0.00 C ATOM 1299 CG GLU A 82 -5.364 -8.299 -8.489 1.00 0.00 C ATOM 1300 CD GLU A 82 -5.277 -8.873 -9.904 1.00 0.00 C ATOM 1301 OE1 GLU A 82 -5.232 -8.090 -10.839 1.00 0.00 O ATOM 1302 OE2 GLU A 82 -5.255 -10.087 -10.028 1.00 0.00 O ATOM 0 H GLU A 82 -2.489 -6.337 -6.673 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.221 -5.567 -7.705 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.801 -6.966 -9.162 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -3.334 -7.987 -7.816 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.394 -9.108 -7.759 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.286 -7.730 -8.372 1.00 0.00 H new ATOM 1309 N PRO A 83 -6.223 -6.126 -5.546 1.00 0.00 N ATOM 1310 CA PRO A 83 -7.008 -6.562 -4.363 1.00 0.00 C ATOM 1311 C PRO A 83 -7.898 -7.755 -4.718 1.00 0.00 C ATOM 1312 O PRO A 83 -8.414 -7.842 -5.814 1.00 0.00 O ATOM 1313 CB PRO A 83 -7.858 -5.341 -4.017 1.00 0.00 C ATOM 1314 CG PRO A 83 -7.919 -4.535 -5.277 1.00 0.00 C ATOM 1315 CD PRO A 83 -6.659 -4.821 -6.050 1.00 0.00 C ATOM 0 HA PRO A 83 -6.378 -6.886 -3.534 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -8.855 -5.635 -3.689 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -7.412 -4.768 -3.204 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -8.799 -4.802 -5.863 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -7.998 -3.472 -5.050 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -6.847 -4.850 -7.123 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -5.903 -4.054 -5.879 1.00 0.00 H new ATOM 1323 N PRO A 84 -8.051 -8.636 -3.766 1.00 0.00 N ATOM 1324 CA PRO A 84 -8.893 -9.840 -3.970 1.00 0.00 C ATOM 1325 C PRO A 84 -10.351 -9.433 -4.206 1.00 0.00 C ATOM 1326 O PRO A 84 -10.646 -8.291 -4.498 1.00 0.00 O ATOM 1327 CB PRO A 84 -8.754 -10.620 -2.662 1.00 0.00 C ATOM 1328 CG PRO A 84 -8.219 -9.642 -1.664 1.00 0.00 C ATOM 1329 CD PRO A 84 -7.459 -8.591 -2.428 1.00 0.00 C ATOM 0 HA PRO A 84 -8.590 -10.427 -4.837 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -9.715 -11.021 -2.341 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -8.079 -11.467 -2.781 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -9.032 -9.191 -1.095 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -7.568 -10.142 -0.947 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -7.571 -7.607 -1.974 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -6.392 -8.810 -2.455 1.00 0.00 H new ATOM 1387 N TYR A 89 -8.113 -4.043 2.977 1.00 0.00 N ATOM 1388 CA TYR A 89 -7.356 -2.893 3.549 1.00 0.00 C ATOM 1389 C TYR A 89 -5.905 -2.927 3.070 1.00 0.00 C ATOM 1390 O TYR A 89 -5.097 -3.691 3.561 1.00 0.00 O ATOM 1391 CB TYR A 89 -7.421 -3.076 5.065 1.00 0.00 C ATOM 1392 CG TYR A 89 -8.831 -3.431 5.474 1.00 0.00 C ATOM 1393 CD1 TYR A 89 -9.810 -2.433 5.545 1.00 0.00 C ATOM 1394 CD2 TYR A 89 -9.158 -4.757 5.780 1.00 0.00 C ATOM 1395 CE1 TYR A 89 -11.118 -2.762 5.923 1.00 0.00 C ATOM 1396 CE2 TYR A 89 -10.465 -5.087 6.157 1.00 0.00 C ATOM 1397 CZ TYR A 89 -11.445 -4.089 6.229 1.00 0.00 C ATOM 1398 OH TYR A 89 -12.734 -4.413 6.602 1.00 0.00 O ATOM 0 HA TYR A 89 -7.775 -1.935 3.240 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.733 -3.862 5.376 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -7.106 -2.160 5.566 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -9.557 -1.410 5.308 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -8.402 -5.526 5.725 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -11.874 -1.993 5.978 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -10.718 -6.110 6.392 1.00 0.00 H new ATOM 0 HH TYR A 89 -12.791 -5.375 6.778 1.00 0.00 H new ATOM 1408 N ILE A 90 -5.564 -2.102 2.121 1.00 0.00 N ATOM 1409 CA ILE A 90 -4.162 -2.085 1.622 1.00 0.00 C ATOM 1410 C ILE A 90 -3.263 -1.413 2.658 1.00 0.00 C ATOM 1411 O ILE A 90 -3.383 -0.233 2.926 1.00 0.00 O ATOM 1412 CB ILE A 90 -4.207 -1.265 0.335 1.00 0.00 C ATOM 1413 CG1 ILE A 90 -4.870 -2.089 -0.771 1.00 0.00 C ATOM 1414 CG2 ILE A 90 -2.783 -0.899 -0.086 1.00 0.00 C ATOM 1415 CD1 ILE A 90 -6.183 -1.423 -1.186 1.00 0.00 C ATOM 0 H ILE A 90 -6.195 -1.439 1.670 1.00 0.00 H new ATOM 0 HA ILE A 90 -3.765 -3.085 1.445 1.00 0.00 H new ATOM 0 HB ILE A 90 -4.781 -0.354 0.504 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -4.203 -2.168 -1.629 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -5.060 -3.103 -0.420 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -2.814 -0.314 -1.005 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.310 -0.313 0.702 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.208 -1.810 -0.255 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.655 -2.010 -1.974 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.850 -1.367 -0.326 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.980 -0.417 -1.554 1.00 0.00 H new ATOM 1427 N ILE A 91 -2.369 -2.152 3.253 1.00 0.00 N ATOM 1428 CA ILE A 91 -1.477 -1.546 4.279 1.00 0.00 C ATOM 1429 C ILE A 91 -0.164 -1.093 3.639 1.00 0.00 C ATOM 1430 O ILE A 91 0.348 -1.717 2.731 1.00 0.00 O ATOM 1431 CB ILE A 91 -1.230 -2.656 5.296 1.00 0.00 C ATOM 1432 CG1 ILE A 91 -2.502 -2.892 6.113 1.00 0.00 C ATOM 1433 CG2 ILE A 91 -0.095 -2.242 6.231 1.00 0.00 C ATOM 1434 CD1 ILE A 91 -2.631 -4.382 6.439 1.00 0.00 C ATOM 0 H ILE A 91 -2.218 -3.145 3.074 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.920 -0.665 4.743 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.958 -3.574 4.775 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -2.469 -2.309 7.033 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -3.374 -2.555 5.553 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.084 -3.033 6.959 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.811 -2.072 5.650 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.369 -1.325 6.752 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.537 -4.550 7.021 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -2.684 -4.954 5.513 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -1.764 -4.705 7.016 1.00 0.00 H new ATOM 1446 N ILE A 92 0.381 -0.006 4.108 1.00 0.00 N ATOM 1447 CA ILE A 92 1.659 0.501 3.536 1.00 0.00 C ATOM 1448 C ILE A 92 2.663 0.755 4.662 1.00 0.00 C ATOM 1449 O ILE A 92 2.304 1.223 5.723 1.00 0.00 O ATOM 1450 CB ILE A 92 1.267 1.809 2.833 1.00 0.00 C ATOM 1451 CG1 ILE A 92 0.977 1.523 1.360 1.00 0.00 C ATOM 1452 CG2 ILE A 92 2.400 2.838 2.933 1.00 0.00 C ATOM 1453 CD1 ILE A 92 0.432 2.787 0.699 1.00 0.00 C ATOM 0 H ILE A 92 -0.006 0.556 4.867 1.00 0.00 H new ATOM 0 HA ILE A 92 2.133 -0.201 2.850 1.00 0.00 H new ATOM 0 HB ILE A 92 0.380 2.215 3.319 1.00 0.00 H new ATOM 0 HG12 ILE A 92 1.886 1.198 0.855 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.255 0.711 1.270 1.00 0.00 H new ATOM 0 HG21 ILE A 92 2.102 3.757 2.429 1.00 0.00 H new ATOM 0 HG22 ILE A 92 2.607 3.050 3.982 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.297 2.439 2.460 1.00 0.00 H new ATOM 0 HD11 ILE A 92 0.224 2.587 -0.352 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.487 3.092 1.199 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.170 3.586 0.777 1.00 0.00 H new ATOM 1465 N GLY A 93 3.912 0.454 4.454 1.00 0.00 N ATOM 1466 CA GLY A 93 4.899 0.695 5.534 1.00 0.00 C ATOM 1467 C GLY A 93 4.849 -0.472 6.511 1.00 0.00 C ATOM 1468 O GLY A 93 4.378 -1.545 6.191 1.00 0.00 O ATOM 0 H GLY A 93 4.287 0.056 3.593 1.00 0.00 H new ATOM 0 HA2 GLY A 93 5.900 0.794 5.115 1.00 0.00 H new ATOM 0 HA3 GLY A 93 4.675 1.629 6.049 1.00 0.00 H new ATOM 1472 N VAL A 94 5.332 -0.278 7.696 1.00 0.00 N ATOM 1473 CA VAL A 94 5.316 -1.381 8.689 1.00 0.00 C ATOM 1474 C VAL A 94 4.561 -0.944 9.938 1.00 0.00 C ATOM 1475 O VAL A 94 4.569 0.218 10.289 1.00 0.00 O ATOM 1476 CB VAL A 94 6.787 -1.670 9.008 1.00 0.00 C ATOM 1477 CG1 VAL A 94 7.258 -2.825 8.124 1.00 0.00 C ATOM 1478 CG2 VAL A 94 7.649 -0.431 8.720 1.00 0.00 C ATOM 0 H VAL A 94 5.739 0.598 8.024 1.00 0.00 H new ATOM 0 HA VAL A 94 4.814 -2.271 8.309 1.00 0.00 H new ATOM 0 HB VAL A 94 6.885 -1.929 10.062 1.00 0.00 H new ATOM 0 HG11 VAL A 94 8.304 -3.044 8.338 1.00 0.00 H new ATOM 0 HG12 VAL A 94 6.653 -3.709 8.327 1.00 0.00 H new ATOM 0 HG13 VAL A 94 7.153 -2.547 7.075 1.00 0.00 H new ATOM 0 HG21 VAL A 94 8.691 -0.651 8.951 1.00 0.00 H new ATOM 0 HG22 VAL A 94 7.560 -0.162 7.667 1.00 0.00 H new ATOM 0 HG23 VAL A 94 7.308 0.401 9.337 1.00 0.00 H new ATOM 1488 N GLU A 95 3.907 -1.878 10.596 1.00 0.00 N ATOM 1489 CA GLU A 95 3.122 -1.568 11.839 1.00 0.00 C ATOM 1490 C GLU A 95 3.505 -0.210 12.430 1.00 0.00 C ATOM 1491 O GLU A 95 2.667 0.658 12.566 1.00 0.00 O ATOM 1492 CB GLU A 95 3.477 -2.691 12.815 1.00 0.00 C ATOM 1493 CG GLU A 95 2.305 -3.669 12.917 1.00 0.00 C ATOM 1494 CD GLU A 95 2.835 -5.104 12.900 1.00 0.00 C ATOM 1495 OE1 GLU A 95 3.339 -5.541 13.921 1.00 0.00 O ATOM 1496 OE2 GLU A 95 2.728 -5.742 11.866 1.00 0.00 O ATOM 0 H GLU A 95 3.884 -2.859 10.318 1.00 0.00 H new ATOM 0 HA GLU A 95 2.054 -1.512 11.629 1.00 0.00 H new ATOM 0 HB2 GLU A 95 4.371 -3.213 12.475 1.00 0.00 H new ATOM 0 HB3 GLU A 95 3.704 -2.276 13.797 1.00 0.00 H new ATOM 0 HG2 GLU A 95 1.745 -3.488 13.834 1.00 0.00 H new ATOM 0 HG3 GLU A 95 1.616 -3.515 12.087 1.00 0.00 H new ATOM 1503 N PRO A 96 4.766 -0.071 12.754 1.00 0.00 N ATOM 1504 CA PRO A 96 5.287 1.200 13.325 1.00 0.00 C ATOM 1505 C PRO A 96 4.890 2.422 12.475 1.00 0.00 C ATOM 1506 O PRO A 96 5.715 3.012 11.806 1.00 0.00 O ATOM 1507 CB PRO A 96 6.811 1.011 13.308 1.00 0.00 C ATOM 1508 CG PRO A 96 7.062 -0.234 12.517 1.00 0.00 C ATOM 1509 CD PRO A 96 5.827 -1.073 12.637 1.00 0.00 C ATOM 0 HA PRO A 96 4.883 1.393 14.319 1.00 0.00 H new ATOM 0 HB2 PRO A 96 7.306 1.869 12.853 1.00 0.00 H new ATOM 0 HB3 PRO A 96 7.204 0.916 14.320 1.00 0.00 H new ATOM 0 HG2 PRO A 96 7.268 0.005 11.474 1.00 0.00 H new ATOM 0 HG3 PRO A 96 7.932 -0.768 12.900 1.00 0.00 H new ATOM 0 HD2 PRO A 96 5.686 -1.712 11.765 1.00 0.00 H new ATOM 0 HD3 PRO A 96 5.865 -1.726 13.509 1.00 0.00 H new ATOM 1517 N GLY A 97 3.645 2.822 12.517 1.00 0.00 N ATOM 1518 CA GLY A 97 3.213 4.021 11.736 1.00 0.00 C ATOM 1519 C GLY A 97 2.785 3.625 10.318 1.00 0.00 C ATOM 1520 O GLY A 97 2.396 4.461 9.526 1.00 0.00 O ATOM 0 H GLY A 97 2.908 2.370 13.059 1.00 0.00 H new ATOM 0 HA2 GLY A 97 2.385 4.513 12.246 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.030 4.741 11.686 1.00 0.00 H new ATOM 1524 N GLN A 98 2.852 2.367 9.986 1.00 0.00 N ATOM 1525 CA GLN A 98 2.445 1.936 8.616 1.00 0.00 C ATOM 1526 C GLN A 98 1.096 2.572 8.234 1.00 0.00 C ATOM 1527 O GLN A 98 0.342 3.008 9.083 1.00 0.00 O ATOM 1528 CB GLN A 98 2.363 0.401 8.721 1.00 0.00 C ATOM 1529 CG GLN A 98 0.984 -0.125 8.303 1.00 0.00 C ATOM 1530 CD GLN A 98 0.825 -1.568 8.784 1.00 0.00 C ATOM 1531 OE1 GLN A 98 1.841 -2.384 8.706 1.00 0.00 O flip ATOM 1532 NE2 GLN A 98 -0.234 -1.957 9.235 1.00 0.00 N flip ATOM 0 H GLN A 98 3.170 1.618 10.601 1.00 0.00 H new ATOM 0 HA GLN A 98 3.140 2.247 7.836 1.00 0.00 H new ATOM 0 HB2 GLN A 98 3.130 -0.048 8.090 1.00 0.00 H new ATOM 0 HB3 GLN A 98 2.574 0.095 9.746 1.00 0.00 H new ATOM 0 HG2 GLN A 98 0.199 0.501 8.729 1.00 0.00 H new ATOM 0 HG3 GLN A 98 0.877 -0.077 7.219 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -1.028 -1.319 9.296 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -0.329 -2.921 9.553 1.00 0.00 H new ATOM 1541 N LEU A 99 0.788 2.622 6.963 1.00 0.00 N ATOM 1542 CA LEU A 99 -0.508 3.222 6.527 1.00 0.00 C ATOM 1543 C LEU A 99 -1.556 2.126 6.308 1.00 0.00 C ATOM 1544 O LEU A 99 -1.280 0.950 6.445 1.00 0.00 O ATOM 1545 CB LEU A 99 -0.192 3.925 5.206 1.00 0.00 C ATOM 1546 CG LEU A 99 0.160 5.389 5.472 1.00 0.00 C ATOM 1547 CD1 LEU A 99 0.631 6.042 4.173 1.00 0.00 C ATOM 1548 CD2 LEU A 99 -1.077 6.126 5.991 1.00 0.00 C ATOM 0 H LEU A 99 1.379 2.273 6.208 1.00 0.00 H new ATOM 0 HA LEU A 99 -0.915 3.907 7.271 1.00 0.00 H new ATOM 0 HB2 LEU A 99 0.639 3.426 4.707 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -1.049 3.863 4.536 1.00 0.00 H new ATOM 0 HG LEU A 99 0.954 5.442 6.217 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.882 7.086 4.361 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.511 5.518 3.801 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -0.164 5.988 3.430 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.826 7.170 6.181 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -1.871 6.073 5.246 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.416 5.661 6.916 1.00 0.00 H new ATOM 1560 N LYS A 100 -2.760 2.506 5.967 1.00 0.00 N ATOM 1561 CA LYS A 100 -3.833 1.492 5.737 1.00 0.00 C ATOM 1562 C LYS A 100 -4.944 2.089 4.868 1.00 0.00 C ATOM 1563 O LYS A 100 -5.367 3.210 5.068 1.00 0.00 O ATOM 1564 CB LYS A 100 -4.365 1.158 7.126 1.00 0.00 C ATOM 1565 CG LYS A 100 -4.207 -0.342 7.386 1.00 0.00 C ATOM 1566 CD LYS A 100 -3.905 -0.575 8.867 1.00 0.00 C ATOM 1567 CE LYS A 100 -5.177 -0.351 9.688 1.00 0.00 C ATOM 1568 NZ LYS A 100 -4.981 0.972 10.344 1.00 0.00 N ATOM 0 H LYS A 100 -3.047 3.476 5.838 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.462 0.608 5.219 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -3.824 1.728 7.881 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -5.414 1.443 7.203 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -5.118 -0.869 7.103 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -3.402 -0.745 6.772 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -3.535 -1.589 9.019 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -3.120 0.104 9.200 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -6.062 -0.350 9.052 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -5.315 -1.141 10.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -5.675 1.086 11.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -4.019 1.026 10.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -5.112 1.730 9.644 1.00 0.00 H new ATOM 1582 N LEU A 101 -5.421 1.349 3.903 1.00 0.00 N ATOM 1583 CA LEU A 101 -6.504 1.880 3.023 1.00 0.00 C ATOM 1584 C LEU A 101 -7.511 0.775 2.690 1.00 0.00 C ATOM 1585 O LEU A 101 -7.163 -0.248 2.134 1.00 0.00 O ATOM 1586 CB LEU A 101 -5.790 2.353 1.757 1.00 0.00 C ATOM 1587 CG LEU A 101 -4.584 3.213 2.140 1.00 0.00 C ATOM 1588 CD1 LEU A 101 -3.331 2.337 2.201 1.00 0.00 C ATOM 1589 CD2 LEU A 101 -4.387 4.310 1.092 1.00 0.00 C ATOM 0 H LEU A 101 -5.109 0.402 3.686 1.00 0.00 H new ATOM 0 HA LEU A 101 -7.064 2.684 3.501 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -5.466 1.495 1.168 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.475 2.927 1.133 1.00 0.00 H new ATOM 0 HG LEU A 101 -4.758 3.668 3.115 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -2.472 2.950 2.474 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -3.470 1.554 2.947 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -3.157 1.882 1.226 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -3.528 4.923 1.364 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -4.214 3.855 0.117 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -5.279 4.935 1.047 1.00 0.00 H new ATOM 1601 N ASN A 102 -8.758 0.974 3.025 1.00 0.00 N ATOM 1602 CA ASN A 102 -9.787 -0.066 2.726 1.00 0.00 C ATOM 1603 C ASN A 102 -10.355 0.136 1.315 1.00 0.00 C ATOM 1604 O ASN A 102 -10.763 1.220 0.950 1.00 0.00 O ATOM 1605 CB ASN A 102 -10.870 0.126 3.802 1.00 0.00 C ATOM 1606 CG ASN A 102 -11.927 1.136 3.334 1.00 0.00 C ATOM 1607 OD1 ASN A 102 -11.570 2.362 3.065 1.00 0.00 O flip ATOM 1608 ND2 ASN A 102 -13.088 0.803 3.214 1.00 0.00 N flip ATOM 0 H ASN A 102 -9.109 1.810 3.492 1.00 0.00 H new ATOM 0 HA ASN A 102 -9.379 -1.076 2.747 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -11.345 -0.830 4.021 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -10.412 0.474 4.728 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -13.368 -0.155 3.424 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -13.784 1.481 2.903 1.00 0.00 H new ATOM 1615 N TRP A 103 -10.386 -0.901 0.523 1.00 0.00 N ATOM 1616 CA TRP A 103 -10.930 -0.767 -0.858 1.00 0.00 C ATOM 1617 C TRP A 103 -12.028 -1.807 -1.097 1.00 0.00 C ATOM 1618 O TRP A 103 -12.042 -2.860 -0.491 1.00 0.00 O ATOM 1619 CB TRP A 103 -9.738 -1.025 -1.781 1.00 0.00 C ATOM 1620 CG TRP A 103 -10.013 -0.429 -3.125 1.00 0.00 C ATOM 1621 CD1 TRP A 103 -10.101 -1.126 -4.280 1.00 0.00 C ATOM 1622 CD2 TRP A 103 -10.239 0.968 -3.471 1.00 0.00 C ATOM 1623 NE1 TRP A 103 -10.366 -0.246 -5.315 1.00 0.00 N ATOM 1624 CE2 TRP A 103 -10.459 1.057 -4.866 1.00 0.00 C ATOM 1625 CE3 TRP A 103 -10.272 2.156 -2.718 1.00 0.00 C ATOM 1626 CZ2 TRP A 103 -10.704 2.280 -5.491 1.00 0.00 C ATOM 1627 CZ3 TRP A 103 -10.519 3.389 -3.344 1.00 0.00 C ATOM 1628 CH2 TRP A 103 -10.734 3.451 -4.729 1.00 0.00 C ATOM 0 H TRP A 103 -10.058 -1.834 0.772 1.00 0.00 H new ATOM 0 HA TRP A 103 -11.376 0.212 -1.032 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -8.834 -0.590 -1.356 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -9.562 -2.097 -1.875 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -9.984 -2.195 -4.379 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -10.479 -0.525 -6.290 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -10.106 2.120 -1.651 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -10.869 2.321 -6.557 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -10.544 4.294 -2.756 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -10.922 4.402 -5.205 1.00 0.00 H new