USER MOD reduce.3.24.130724 H: found=0, std=0, add=479, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 480 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 GLN :FLIP amide:sc= -0.0581 F(o=-0.69,f=-0.058) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 118:sc= 0.361 USER MOD Single : A 38 LYS NZ :NH3+ 160:sc= -0.235 (180deg=-0.832) USER MOD Single : A 41 HIS : no HD1:sc= -0.0477 X(o=-0.048,f=-0.012) USER MOD Single : A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 177:sc= -0.641 (180deg=-0.719) USER MOD Single : A 49 ASN : amide:sc= -0.679 K(o=-0.68,f=-1.6) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 4:sc= 0.423 USER MOD Single : A 63 GLN : amide:sc= -0.111 K(o=-0.11,f=-1.9!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 218 N TYR A 17 1.194 -8.601 3.098 1.00 0.00 N ATOM 219 CA TYR A 17 1.052 -7.177 2.823 1.00 0.00 C ATOM 220 C TYR A 17 -0.284 -6.880 2.152 1.00 0.00 C ATOM 221 O TYR A 17 -0.772 -7.667 1.341 1.00 0.00 O ATOM 222 CB TYR A 17 2.200 -6.691 1.937 1.00 0.00 C ATOM 223 CG TYR A 17 3.481 -6.424 2.696 1.00 0.00 C ATOM 224 CD1 TYR A 17 3.917 -7.293 3.689 1.00 0.00 C ATOM 225 CD2 TYR A 17 4.255 -5.303 2.420 1.00 0.00 C ATOM 226 CE1 TYR A 17 5.085 -7.053 4.385 1.00 0.00 C ATOM 227 CE2 TYR A 17 5.426 -5.056 3.111 1.00 0.00 C ATOM 228 CZ TYR A 17 5.836 -5.934 4.092 1.00 0.00 C ATOM 229 OH TYR A 17 7.002 -5.692 4.783 1.00 0.00 O ATOM 0 HA TYR A 17 1.085 -6.645 3.774 1.00 0.00 H new ATOM 0 HB2 TYR A 17 2.393 -7.437 1.166 1.00 0.00 H new ATOM 0 HB3 TYR A 17 1.893 -5.778 1.427 1.00 0.00 H new ATOM 0 HD1 TYR A 17 3.332 -8.171 3.920 1.00 0.00 H new ATOM 0 HD2 TYR A 17 3.936 -4.613 1.653 1.00 0.00 H new ATOM 0 HE1 TYR A 17 5.409 -7.738 5.155 1.00 0.00 H new ATOM 0 HE2 TYR A 17 6.016 -4.181 2.884 1.00 0.00 H new ATOM 0 HH TYR A 17 7.411 -4.864 4.455 1.00 0.00 H new ATOM 239 N GLY A 18 -0.873 -5.738 2.495 1.00 0.00 N ATOM 240 CA GLY A 18 -2.147 -5.357 1.916 1.00 0.00 C ATOM 241 C GLY A 18 -2.047 -5.074 0.430 1.00 0.00 C ATOM 242 O GLY A 18 -0.955 -5.066 -0.135 1.00 0.00 O ATOM 0 H GLY A 18 -0.490 -5.070 3.164 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -2.871 -6.154 2.083 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.524 -4.471 2.427 1.00 0.00 H new ATOM 246 N GLU A 19 -3.193 -4.844 -0.204 1.00 0.00 N ATOM 247 CA GLU A 19 -3.230 -4.563 -1.635 1.00 0.00 C ATOM 248 C GLU A 19 -4.128 -3.366 -1.932 1.00 0.00 C ATOM 249 O GLU A 19 -5.186 -3.206 -1.324 1.00 0.00 O ATOM 250 CB GLU A 19 -3.723 -5.788 -2.406 1.00 0.00 C ATOM 251 CG GLU A 19 -3.449 -5.720 -3.899 1.00 0.00 C ATOM 252 CD GLU A 19 -2.023 -5.309 -4.212 1.00 0.00 C ATOM 253 OE1 GLU A 19 -1.093 -5.900 -3.624 1.00 0.00 O ATOM 254 OE2 GLU A 19 -1.838 -4.396 -5.044 1.00 0.00 O ATOM 0 H GLU A 19 -4.107 -4.847 0.250 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.217 -4.324 -1.958 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.246 -6.679 -1.998 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -4.796 -5.899 -2.247 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.649 -6.694 -4.346 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.137 -5.011 -4.359 1.00 0.00 H new ATOM 261 N ALA A 20 -3.698 -2.528 -2.870 1.00 0.00 N ATOM 262 CA ALA A 20 -4.463 -1.347 -3.247 1.00 0.00 C ATOM 263 C ALA A 20 -4.272 -1.018 -4.725 1.00 0.00 C ATOM 264 O ALA A 20 -3.205 -1.258 -5.291 1.00 0.00 O ATOM 265 CB ALA A 20 -4.062 -0.159 -2.384 1.00 0.00 C ATOM 0 H ALA A 20 -2.824 -2.646 -3.382 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.519 -1.561 -3.082 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.642 0.716 -2.677 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.256 -0.388 -1.336 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.000 0.047 -2.520 1.00 0.00 H new ATOM 271 N VAL A 21 -5.311 -0.469 -5.344 1.00 0.00 N ATOM 272 CA VAL A 21 -5.257 -0.107 -6.755 1.00 0.00 C ATOM 273 C VAL A 21 -5.607 1.363 -6.960 1.00 0.00 C ATOM 274 O VAL A 21 -6.625 1.844 -6.462 1.00 0.00 O ATOM 275 CB VAL A 21 -6.217 -0.973 -7.593 1.00 0.00 C ATOM 276 CG1 VAL A 21 -6.377 -0.392 -8.990 1.00 0.00 C ATOM 277 CG2 VAL A 21 -5.720 -2.409 -7.658 1.00 0.00 C ATOM 0 H VAL A 21 -6.201 -0.265 -4.890 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.234 -0.284 -7.088 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.194 -0.973 -7.110 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.058 -1.016 -9.568 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.781 0.618 -8.920 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.406 -0.361 -9.484 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.410 -3.006 -8.254 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.732 -2.431 -8.117 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.662 -2.820 -6.650 1.00 0.00 H new ATOM 287 N ALA A 22 -4.755 2.071 -7.694 1.00 0.00 N ATOM 288 CA ALA A 22 -4.976 3.486 -7.967 1.00 0.00 C ATOM 289 C ALA A 22 -6.224 3.693 -8.817 1.00 0.00 C ATOM 290 O ALA A 22 -6.416 3.018 -9.829 1.00 0.00 O ATOM 291 CB ALA A 22 -3.759 4.085 -8.657 1.00 0.00 C ATOM 0 H ALA A 22 -3.906 1.688 -8.110 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.129 3.995 -7.016 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -3.937 5.142 -8.855 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.886 3.978 -8.013 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -3.581 3.564 -9.598 1.00 0.00 H new ATOM 297 N GLN A 23 -7.070 4.630 -8.400 1.00 0.00 N ATOM 298 CA GLN A 23 -8.301 4.924 -9.124 1.00 0.00 C ATOM 299 C GLN A 23 -8.238 6.308 -9.764 1.00 0.00 C ATOM 300 O GLN A 23 -8.910 6.572 -10.762 1.00 0.00 O ATOM 301 CB GLN A 23 -9.503 4.839 -8.184 1.00 0.00 C ATOM 302 CG GLN A 23 -9.733 3.448 -7.613 1.00 0.00 C ATOM 303 CD GLN A 23 -10.103 2.434 -8.678 1.00 0.00 C ATOM 304 OE1 GLN A 23 -9.096 1.816 -9.284 1.00 0.00 O flip ATOM 305 NE2 GLN A 23 -11.282 2.212 -8.955 1.00 0.00 N flip ATOM 0 H GLN A 23 -6.925 5.198 -7.565 1.00 0.00 H new ATOM 0 HA GLN A 23 -8.414 4.182 -9.915 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -9.361 5.541 -7.362 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -10.397 5.154 -8.722 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -8.831 3.117 -7.099 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -10.527 3.492 -6.867 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -12.024 2.710 -8.464 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -11.517 1.530 -9.676 1.00 0.00 H new ATOM 314 N TYR A 24 -7.428 7.186 -9.184 1.00 0.00 N ATOM 315 CA TYR A 24 -7.280 8.543 -9.696 1.00 0.00 C ATOM 316 C TYR A 24 -5.825 8.995 -9.631 1.00 0.00 C ATOM 317 O TYR A 24 -5.132 8.762 -8.639 1.00 0.00 O ATOM 318 CB TYR A 24 -8.162 9.509 -8.902 1.00 0.00 C ATOM 319 CG TYR A 24 -9.613 9.091 -8.836 1.00 0.00 C ATOM 320 CD1 TYR A 24 -10.041 8.141 -7.917 1.00 0.00 C ATOM 321 CD2 TYR A 24 -10.555 9.646 -9.692 1.00 0.00 C ATOM 322 CE1 TYR A 24 -11.366 7.755 -7.854 1.00 0.00 C ATOM 323 CE2 TYR A 24 -11.883 9.266 -9.635 1.00 0.00 C ATOM 324 CZ TYR A 24 -12.283 8.321 -8.714 1.00 0.00 C ATOM 325 OH TYR A 24 -13.604 7.940 -8.653 1.00 0.00 O ATOM 0 H TYR A 24 -6.864 6.982 -8.359 1.00 0.00 H new ATOM 0 HA TYR A 24 -7.596 8.547 -10.739 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -7.771 9.594 -7.888 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -8.098 10.499 -9.353 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -9.326 7.697 -7.240 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -10.245 10.387 -10.414 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -11.682 7.014 -7.135 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -12.603 9.707 -10.308 1.00 0.00 H new ATOM 0 HH TYR A 24 -14.118 8.434 -9.325 1.00 0.00 H new ATOM 335 N THR A 25 -5.364 9.643 -10.697 1.00 0.00 N ATOM 336 CA THR A 25 -3.991 10.127 -10.763 1.00 0.00 C ATOM 337 C THR A 25 -3.740 11.212 -9.722 1.00 0.00 C ATOM 338 O THR A 25 -4.464 12.206 -9.658 1.00 0.00 O ATOM 339 CB THR A 25 -3.659 10.686 -12.160 1.00 0.00 C ATOM 340 OG1 THR A 25 -3.921 9.695 -13.159 1.00 0.00 O ATOM 341 CG2 THR A 25 -2.204 11.121 -12.237 1.00 0.00 C ATOM 0 H THR A 25 -5.922 9.845 -11.527 1.00 0.00 H new ATOM 0 HA THR A 25 -3.345 9.273 -10.558 1.00 0.00 H new ATOM 0 HB THR A 25 -4.291 11.556 -12.339 1.00 0.00 H new ATOM 0 HG1 THR A 25 -3.709 10.059 -14.044 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.993 11.512 -13.232 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.017 11.897 -11.495 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.558 10.266 -12.039 1.00 0.00 H new ATOM 349 N PHE A 26 -2.709 11.015 -8.907 1.00 0.00 N ATOM 350 CA PHE A 26 -2.362 11.976 -7.866 1.00 0.00 C ATOM 351 C PHE A 26 -1.102 12.750 -8.240 1.00 0.00 C ATOM 352 O PHE A 26 -0.408 12.405 -9.197 1.00 0.00 O ATOM 353 CB PHE A 26 -2.157 11.261 -6.529 1.00 0.00 C ATOM 354 CG PHE A 26 -1.883 12.196 -5.386 1.00 0.00 C ATOM 355 CD1 PHE A 26 -2.904 12.944 -4.825 1.00 0.00 C ATOM 356 CD2 PHE A 26 -0.602 12.326 -4.873 1.00 0.00 C ATOM 357 CE1 PHE A 26 -2.654 13.806 -3.773 1.00 0.00 C ATOM 358 CE2 PHE A 26 -0.346 13.185 -3.820 1.00 0.00 C ATOM 359 CZ PHE A 26 -1.374 13.925 -3.269 1.00 0.00 C ATOM 0 H PHE A 26 -2.099 10.198 -8.947 1.00 0.00 H new ATOM 0 HA PHE A 26 -3.186 12.682 -7.769 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.045 10.672 -6.301 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -1.326 10.562 -6.623 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.908 12.853 -5.214 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.205 11.750 -5.300 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -3.459 14.386 -3.346 1.00 0.00 H new ATOM 0 HE2 PHE A 26 0.656 13.277 -3.429 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.177 14.595 -2.446 1.00 0.00 H new ATOM 369 N LYS A 27 -0.812 13.801 -7.480 1.00 0.00 N ATOM 370 CA LYS A 27 0.364 14.625 -7.729 1.00 0.00 C ATOM 371 C LYS A 27 0.921 15.187 -6.424 1.00 0.00 C ATOM 372 O LYS A 27 0.224 15.888 -5.692 1.00 0.00 O ATOM 373 CB LYS A 27 0.017 15.770 -8.682 1.00 0.00 C ATOM 374 CG LYS A 27 1.191 16.685 -8.987 1.00 0.00 C ATOM 375 CD LYS A 27 0.725 18.060 -9.434 1.00 0.00 C ATOM 376 CE LYS A 27 0.252 18.898 -8.255 1.00 0.00 C ATOM 377 NZ LYS A 27 -0.214 20.246 -8.683 1.00 0.00 N ATOM 0 H LYS A 27 -1.377 14.102 -6.686 1.00 0.00 H new ATOM 0 HA LYS A 27 1.127 13.996 -8.188 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.360 15.353 -9.616 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.790 16.361 -8.248 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.817 16.783 -8.100 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.809 16.238 -9.766 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.540 18.574 -9.944 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.085 17.954 -10.155 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.559 18.379 -7.743 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.065 19.006 -7.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.528 20.785 -7.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.566 20.751 -9.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.007 20.144 -9.348 1.00 0.00 H new ATOM 391 N GLY A 28 2.182 14.875 -6.141 1.00 0.00 N ATOM 392 CA GLY A 28 2.810 15.359 -4.926 1.00 0.00 C ATOM 393 C GLY A 28 4.316 15.475 -5.058 1.00 0.00 C ATOM 394 O GLY A 28 4.959 14.625 -5.673 1.00 0.00 O ATOM 0 H GLY A 28 2.779 14.296 -6.731 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.395 16.334 -4.669 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.571 14.684 -4.104 1.00 0.00 H new ATOM 398 N ASP A 29 4.880 16.531 -4.481 1.00 0.00 N ATOM 399 CA ASP A 29 6.319 16.756 -4.538 1.00 0.00 C ATOM 400 C ASP A 29 6.966 16.480 -3.184 1.00 0.00 C ATOM 401 O ASP A 29 8.103 16.011 -3.111 1.00 0.00 O ATOM 402 CB ASP A 29 6.616 18.191 -4.976 1.00 0.00 C ATOM 403 CG ASP A 29 8.069 18.390 -5.359 1.00 0.00 C ATOM 404 OD1 ASP A 29 8.474 17.892 -6.430 1.00 0.00 O ATOM 405 OD2 ASP A 29 8.801 19.046 -4.588 1.00 0.00 O ATOM 0 H ASP A 29 4.362 17.245 -3.968 1.00 0.00 H new ATOM 0 HA ASP A 29 6.741 16.067 -5.270 1.00 0.00 H new ATOM 0 HB2 ASP A 29 5.981 18.448 -5.824 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.359 18.875 -4.167 1.00 0.00 H new ATOM 410 N LEU A 30 6.236 16.775 -2.114 1.00 0.00 N ATOM 411 CA LEU A 30 6.739 16.560 -0.762 1.00 0.00 C ATOM 412 C LEU A 30 6.982 15.077 -0.500 1.00 0.00 C ATOM 413 O LEU A 30 6.236 14.223 -0.979 1.00 0.00 O ATOM 414 CB LEU A 30 5.750 17.115 0.265 1.00 0.00 C ATOM 415 CG LEU A 30 5.594 18.636 0.293 1.00 0.00 C ATOM 416 CD1 LEU A 30 4.361 19.032 1.089 1.00 0.00 C ATOM 417 CD2 LEU A 30 6.839 19.290 0.873 1.00 0.00 C ATOM 0 H LEU A 30 5.294 17.164 -2.157 1.00 0.00 H new ATOM 0 HA LEU A 30 7.688 17.087 -0.666 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.772 16.673 0.074 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.061 16.783 1.256 1.00 0.00 H new ATOM 0 HG LEU A 30 5.468 18.987 -0.731 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.267 20.118 1.098 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.475 18.595 0.629 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.456 18.668 2.112 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.710 20.372 0.885 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.998 18.932 1.890 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.703 19.035 0.260 1.00 0.00 H new ATOM 429 N GLU A 31 8.028 14.779 0.263 1.00 0.00 N ATOM 430 CA GLU A 31 8.368 13.399 0.589 1.00 0.00 C ATOM 431 C GLU A 31 7.134 12.631 1.053 1.00 0.00 C ATOM 432 O GLU A 31 6.823 11.559 0.531 1.00 0.00 O ATOM 433 CB GLU A 31 9.446 13.359 1.675 1.00 0.00 C ATOM 434 CG GLU A 31 10.271 12.083 1.665 1.00 0.00 C ATOM 435 CD GLU A 31 11.541 12.204 2.484 1.00 0.00 C ATOM 436 OE1 GLU A 31 12.109 13.315 2.540 1.00 0.00 O ATOM 437 OE2 GLU A 31 11.967 11.187 3.071 1.00 0.00 O ATOM 0 H GLU A 31 8.655 15.475 0.667 1.00 0.00 H new ATOM 0 HA GLU A 31 8.753 12.923 -0.313 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.111 14.213 1.547 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.972 13.468 2.650 1.00 0.00 H new ATOM 0 HG2 GLU A 31 9.669 11.262 2.054 1.00 0.00 H new ATOM 0 HG3 GLU A 31 10.529 11.829 0.637 1.00 0.00 H new ATOM 444 N VAL A 32 6.434 13.185 2.037 1.00 0.00 N ATOM 445 CA VAL A 32 5.233 12.553 2.572 1.00 0.00 C ATOM 446 C VAL A 32 4.158 12.419 1.499 1.00 0.00 C ATOM 447 O VAL A 32 3.280 11.563 1.591 1.00 0.00 O ATOM 448 CB VAL A 32 4.661 13.349 3.760 1.00 0.00 C ATOM 449 CG1 VAL A 32 5.655 13.376 4.912 1.00 0.00 C ATOM 450 CG2 VAL A 32 4.294 14.761 3.328 1.00 0.00 C ATOM 0 H VAL A 32 6.677 14.071 2.481 1.00 0.00 H new ATOM 0 HA VAL A 32 5.524 11.561 2.916 1.00 0.00 H new ATOM 0 HB VAL A 32 3.754 12.852 4.105 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.234 13.943 5.743 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.863 12.357 5.237 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.581 13.848 4.583 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.891 15.309 4.180 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.183 15.270 2.956 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.544 14.717 2.538 1.00 0.00 H new ATOM 460 N GLU A 33 4.235 13.272 0.483 1.00 0.00 N ATOM 461 CA GLU A 33 3.268 13.250 -0.608 1.00 0.00 C ATOM 462 C GLU A 33 3.733 12.324 -1.728 1.00 0.00 C ATOM 463 O GLU A 33 4.551 12.707 -2.567 1.00 0.00 O ATOM 464 CB GLU A 33 3.049 14.661 -1.156 1.00 0.00 C ATOM 465 CG GLU A 33 2.463 15.625 -0.137 1.00 0.00 C ATOM 466 CD GLU A 33 1.024 15.299 0.215 1.00 0.00 C ATOM 467 OE1 GLU A 33 0.292 14.820 -0.675 1.00 0.00 O ATOM 468 OE2 GLU A 33 0.633 15.524 1.379 1.00 0.00 O ATOM 0 H GLU A 33 4.957 13.987 0.393 1.00 0.00 H new ATOM 0 HA GLU A 33 2.325 12.872 -0.214 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.001 15.056 -1.512 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.384 14.608 -2.018 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.069 15.602 0.769 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.516 16.640 -0.531 1.00 0.00 H new ATOM 475 N LEU A 34 3.206 11.105 -1.738 1.00 0.00 N ATOM 476 CA LEU A 34 3.568 10.123 -2.754 1.00 0.00 C ATOM 477 C LEU A 34 2.739 10.320 -4.019 1.00 0.00 C ATOM 478 O LEU A 34 1.534 10.564 -3.953 1.00 0.00 O ATOM 479 CB LEU A 34 3.368 8.705 -2.216 1.00 0.00 C ATOM 480 CG LEU A 34 3.285 7.594 -3.265 1.00 0.00 C ATOM 481 CD1 LEU A 34 4.613 7.447 -3.992 1.00 0.00 C ATOM 482 CD2 LEU A 34 2.880 6.278 -2.617 1.00 0.00 C ATOM 0 H LEU A 34 2.526 10.773 -1.054 1.00 0.00 H new ATOM 0 HA LEU A 34 4.620 10.265 -3.003 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.190 8.476 -1.538 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.452 8.688 -1.625 1.00 0.00 H new ATOM 0 HG LEU A 34 2.523 7.865 -3.995 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.536 6.652 -4.734 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.862 8.385 -4.489 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.395 7.198 -3.275 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.826 5.499 -3.378 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.619 6.000 -1.865 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.905 6.391 -2.143 1.00 0.00 H new ATOM 494 N SER A 35 3.393 10.211 -5.172 1.00 0.00 N ATOM 495 CA SER A 35 2.717 10.379 -6.453 1.00 0.00 C ATOM 496 C SER A 35 2.504 9.032 -7.136 1.00 0.00 C ATOM 497 O SER A 35 3.250 8.080 -6.903 1.00 0.00 O ATOM 498 CB SER A 35 3.528 11.303 -7.364 1.00 0.00 C ATOM 499 OG SER A 35 3.760 12.555 -6.744 1.00 0.00 O ATOM 0 H SER A 35 4.390 10.007 -5.245 1.00 0.00 H new ATOM 0 HA SER A 35 1.742 10.829 -6.265 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.480 10.833 -7.609 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.995 11.452 -8.303 1.00 0.00 H new ATOM 0 HG SER A 35 4.724 12.687 -6.624 1.00 0.00 H new ATOM 505 N PHE A 36 1.481 8.958 -7.981 1.00 0.00 N ATOM 506 CA PHE A 36 1.168 7.728 -8.698 1.00 0.00 C ATOM 507 C PHE A 36 0.047 7.957 -9.707 1.00 0.00 C ATOM 508 O PHE A 36 -0.714 8.918 -9.599 1.00 0.00 O ATOM 509 CB PHE A 36 0.766 6.627 -7.714 1.00 0.00 C ATOM 510 CG PHE A 36 -0.341 7.031 -6.783 1.00 0.00 C ATOM 511 CD1 PHE A 36 -1.648 7.121 -7.236 1.00 0.00 C ATOM 512 CD2 PHE A 36 -0.075 7.322 -5.454 1.00 0.00 C ATOM 513 CE1 PHE A 36 -2.668 7.492 -6.381 1.00 0.00 C ATOM 514 CE2 PHE A 36 -1.093 7.693 -4.595 1.00 0.00 C ATOM 515 CZ PHE A 36 -2.391 7.779 -5.059 1.00 0.00 C ATOM 0 H PHE A 36 0.854 9.736 -8.186 1.00 0.00 H new ATOM 0 HA PHE A 36 2.061 7.415 -9.238 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.455 5.745 -8.275 1.00 0.00 H new ATOM 0 HB3 PHE A 36 1.638 6.340 -7.126 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.872 6.899 -8.269 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.938 7.258 -5.086 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.682 7.558 -6.747 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.873 7.916 -3.561 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.187 8.070 -4.390 1.00 0.00 H new ATOM 525 N ARG A 37 -0.046 7.068 -10.691 1.00 0.00 N ATOM 526 CA ARG A 37 -1.071 7.173 -11.722 1.00 0.00 C ATOM 527 C ARG A 37 -2.112 6.067 -11.569 1.00 0.00 C ATOM 528 O ARG A 37 -1.797 4.959 -11.131 1.00 0.00 O ATOM 529 CB ARG A 37 -0.437 7.102 -13.111 1.00 0.00 C ATOM 530 CG ARG A 37 0.488 8.268 -13.419 1.00 0.00 C ATOM 531 CD ARG A 37 0.608 8.505 -14.916 1.00 0.00 C ATOM 532 NE ARG A 37 -0.605 9.095 -15.475 1.00 0.00 N ATOM 533 CZ ARG A 37 -0.752 9.394 -16.762 1.00 0.00 C ATOM 534 NH1 ARG A 37 0.234 9.160 -17.616 1.00 0.00 N ATOM 535 NH2 ARG A 37 -1.886 9.930 -17.194 1.00 0.00 N ATOM 0 H ARG A 37 0.577 6.267 -10.796 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.569 8.136 -11.606 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.124 6.172 -13.198 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.228 7.069 -13.861 1.00 0.00 H new ATOM 0 HG2 ARG A 37 0.111 9.170 -12.936 1.00 0.00 H new ATOM 0 HG3 ARG A 37 1.475 8.071 -13.001 1.00 0.00 H new ATOM 0 HD2 ARG A 37 1.455 9.163 -15.112 1.00 0.00 H new ATOM 0 HD3 ARG A 37 0.816 7.560 -15.417 1.00 0.00 H new ATOM 0 HE ARG A 37 -1.382 9.288 -14.843 1.00 0.00 H new ATOM 0 HH11 ARG A 37 1.108 8.750 -17.286 1.00 0.00 H new ATOM 0 HH12 ARG A 37 0.119 9.390 -18.603 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -2.646 10.113 -16.539 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -1.998 10.159 -18.182 1.00 0.00 H new ATOM 549 N LYS A 38 -3.352 6.373 -11.932 1.00 0.00 N ATOM 550 CA LYS A 38 -4.440 5.407 -11.837 1.00 0.00 C ATOM 551 C LYS A 38 -4.027 4.064 -12.431 1.00 0.00 C ATOM 552 O LYS A 38 -3.130 3.994 -13.270 1.00 0.00 O ATOM 553 CB LYS A 38 -5.683 5.935 -12.556 1.00 0.00 C ATOM 554 CG LYS A 38 -6.879 5.003 -12.464 1.00 0.00 C ATOM 555 CD LYS A 38 -6.945 4.059 -13.653 1.00 0.00 C ATOM 556 CE LYS A 38 -8.076 3.052 -13.503 1.00 0.00 C ATOM 557 NZ LYS A 38 -7.660 1.867 -12.703 1.00 0.00 N ATOM 0 H LYS A 38 -3.630 7.285 -12.296 1.00 0.00 H new ATOM 0 HA LYS A 38 -4.673 5.262 -10.782 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.953 6.903 -12.134 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.442 6.101 -13.606 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -6.820 4.424 -11.542 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -7.796 5.590 -12.414 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.087 4.634 -14.568 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.997 3.531 -13.753 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -8.929 3.532 -13.024 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.406 2.727 -14.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.504 1.382 -12.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.119 1.214 -13.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.066 2.176 -11.908 1.00 0.00 H new ATOM 571 N GLY A 39 -4.690 2.998 -11.991 1.00 0.00 N ATOM 572 CA GLY A 39 -4.378 1.672 -12.491 1.00 0.00 C ATOM 573 C GLY A 39 -3.182 1.055 -11.794 1.00 0.00 C ATOM 574 O GLY A 39 -3.198 -0.125 -11.450 1.00 0.00 O ATOM 0 H GLY A 39 -5.437 3.030 -11.297 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.245 1.024 -12.360 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.181 1.728 -13.562 1.00 0.00 H new ATOM 578 N GLU A 40 -2.142 1.857 -11.587 1.00 0.00 N ATOM 579 CA GLU A 40 -0.932 1.381 -10.928 1.00 0.00 C ATOM 580 C GLU A 40 -1.274 0.505 -9.727 1.00 0.00 C ATOM 581 O GLU A 40 -2.402 0.524 -9.231 1.00 0.00 O ATOM 582 CB GLU A 40 -0.068 2.563 -10.482 1.00 0.00 C ATOM 583 CG GLU A 40 0.557 3.329 -11.636 1.00 0.00 C ATOM 584 CD GLU A 40 1.675 2.559 -12.310 1.00 0.00 C ATOM 585 OE1 GLU A 40 2.809 2.580 -11.789 1.00 0.00 O ATOM 586 OE2 GLU A 40 1.415 1.935 -13.361 1.00 0.00 O ATOM 0 H GLU A 40 -2.113 2.838 -11.866 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.372 0.781 -11.645 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -0.679 3.246 -9.892 1.00 0.00 H new ATOM 0 HB3 GLU A 40 0.724 2.197 -9.828 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -0.213 3.562 -12.371 1.00 0.00 H new ATOM 0 HG3 GLU A 40 0.945 4.279 -11.269 1.00 0.00 H new ATOM 593 N HIS A 41 -0.293 -0.262 -9.261 1.00 0.00 N ATOM 594 CA HIS A 41 -0.490 -1.145 -8.117 1.00 0.00 C ATOM 595 C HIS A 41 0.358 -0.694 -6.931 1.00 0.00 C ATOM 596 O HIS A 41 1.550 -0.995 -6.859 1.00 0.00 O ATOM 597 CB HIS A 41 -0.141 -2.585 -8.492 1.00 0.00 C ATOM 598 CG HIS A 41 -1.244 -3.304 -9.202 1.00 0.00 C ATOM 599 ND1 HIS A 41 -1.658 -4.574 -8.861 1.00 0.00 N ATOM 600 CD2 HIS A 41 -2.023 -2.924 -10.243 1.00 0.00 C ATOM 601 CE1 HIS A 41 -2.643 -4.944 -9.660 1.00 0.00 C ATOM 602 NE2 HIS A 41 -2.884 -3.960 -10.507 1.00 0.00 N ATOM 0 H HIS A 41 0.646 -0.290 -9.658 1.00 0.00 H new ATOM 0 HA HIS A 41 -1.540 -1.098 -7.828 1.00 0.00 H new ATOM 0 HB2 HIS A 41 0.746 -2.582 -9.126 1.00 0.00 H new ATOM 0 HB3 HIS A 41 0.116 -3.135 -7.587 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -1.976 -1.981 -10.768 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -3.163 -5.890 -9.626 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -3.595 -3.968 -11.239 1.00 0.00 H new ATOM 611 N ILE A 42 -0.265 0.028 -6.005 1.00 0.00 N ATOM 612 CA ILE A 42 0.433 0.518 -4.824 1.00 0.00 C ATOM 613 C ILE A 42 0.294 -0.456 -3.659 1.00 0.00 C ATOM 614 O ILE A 42 -0.817 -0.785 -3.241 1.00 0.00 O ATOM 615 CB ILE A 42 -0.096 1.898 -4.390 1.00 0.00 C ATOM 616 CG1 ILE A 42 0.032 2.901 -5.538 1.00 0.00 C ATOM 617 CG2 ILE A 42 0.655 2.391 -3.162 1.00 0.00 C ATOM 618 CD1 ILE A 42 -1.027 3.980 -5.519 1.00 0.00 C ATOM 0 H ILE A 42 -1.251 0.286 -6.050 1.00 0.00 H new ATOM 0 HA ILE A 42 1.485 0.609 -5.095 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.151 1.802 -4.132 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.016 3.368 -5.493 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.024 2.365 -6.486 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.270 3.367 -2.868 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.517 1.685 -2.343 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.717 2.475 -3.394 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.874 4.655 -6.361 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.014 3.523 -5.595 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.958 4.541 -4.587 1.00 0.00 H new ATOM 630 N CYS A 43 1.427 -0.913 -3.137 1.00 0.00 N ATOM 631 CA CYS A 43 1.432 -1.849 -2.019 1.00 0.00 C ATOM 632 C CYS A 43 1.080 -1.141 -0.715 1.00 0.00 C ATOM 633 O CYS A 43 1.362 0.047 -0.546 1.00 0.00 O ATOM 634 CB CYS A 43 2.801 -2.521 -1.896 1.00 0.00 C ATOM 635 SG CYS A 43 2.795 -4.028 -0.897 1.00 0.00 S ATOM 0 H CYS A 43 2.354 -0.650 -3.471 1.00 0.00 H new ATOM 0 HA CYS A 43 0.677 -2.611 -2.212 1.00 0.00 H new ATOM 0 HB2 CYS A 43 3.167 -2.761 -2.894 1.00 0.00 H new ATOM 0 HB3 CYS A 43 3.504 -1.812 -1.460 1.00 0.00 H new ATOM 0 HG CYS A 43 3.996 -4.524 -0.853 1.00 0.00 H new ATOM 641 N LEU A 44 0.461 -1.874 0.202 1.00 0.00 N ATOM 642 CA LEU A 44 0.068 -1.317 1.491 1.00 0.00 C ATOM 643 C LEU A 44 0.970 -1.836 2.607 1.00 0.00 C ATOM 644 O LEU A 44 0.741 -2.916 3.151 1.00 0.00 O ATOM 645 CB LEU A 44 -1.390 -1.662 1.796 1.00 0.00 C ATOM 646 CG LEU A 44 -2.437 -1.012 0.891 1.00 0.00 C ATOM 647 CD1 LEU A 44 -3.830 -1.513 1.242 1.00 0.00 C ATOM 648 CD2 LEU A 44 -2.370 0.504 1.002 1.00 0.00 C ATOM 0 H LEU A 44 0.220 -2.857 0.077 1.00 0.00 H new ATOM 0 HA LEU A 44 0.174 -0.234 1.437 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.507 -2.744 1.734 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.602 -1.377 2.826 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.222 -1.291 -0.141 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.562 -1.040 0.588 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.872 -2.594 1.111 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.056 -1.264 2.279 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.122 0.950 0.351 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.560 0.802 2.033 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.380 0.847 0.701 1.00 0.00 H new ATOM 660 N ILE A 45 1.994 -1.059 2.943 1.00 0.00 N ATOM 661 CA ILE A 45 2.927 -1.439 3.996 1.00 0.00 C ATOM 662 C ILE A 45 2.327 -1.197 5.377 1.00 0.00 C ATOM 663 O ILE A 45 2.157 -2.128 6.163 1.00 0.00 O ATOM 664 CB ILE A 45 4.252 -0.661 3.882 1.00 0.00 C ATOM 665 CG1 ILE A 45 4.767 -0.698 2.441 1.00 0.00 C ATOM 666 CG2 ILE A 45 5.288 -1.237 4.835 1.00 0.00 C ATOM 667 CD1 ILE A 45 5.645 0.480 2.083 1.00 0.00 C ATOM 0 H ILE A 45 2.198 -0.163 2.501 1.00 0.00 H new ATOM 0 HA ILE A 45 3.127 -2.503 3.871 1.00 0.00 H new ATOM 0 HB ILE A 45 4.072 0.378 4.158 1.00 0.00 H new ATOM 0 HG12 ILE A 45 5.329 -1.619 2.288 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.916 -0.727 1.760 1.00 0.00 H new ATOM 0 HG21 ILE A 45 6.218 -0.677 4.743 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.921 -1.165 5.859 1.00 0.00 H new ATOM 0 HG23 ILE A 45 5.468 -2.283 4.587 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.973 0.388 1.048 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.080 1.405 2.203 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.515 0.498 2.739 1.00 0.00 H new ATOM 679 N ARG A 46 2.006 0.061 5.664 1.00 0.00 N ATOM 680 CA ARG A 46 1.423 0.425 6.950 1.00 0.00 C ATOM 681 C ARG A 46 0.236 1.366 6.762 1.00 0.00 C ATOM 682 O ARG A 46 0.346 2.395 6.094 1.00 0.00 O ATOM 683 CB ARG A 46 2.476 1.086 7.842 1.00 0.00 C ATOM 684 CG ARG A 46 2.254 0.847 9.326 1.00 0.00 C ATOM 685 CD ARG A 46 2.995 -0.391 9.808 1.00 0.00 C ATOM 686 NE ARG A 46 3.057 -1.426 8.780 1.00 0.00 N ATOM 687 CZ ARG A 46 3.465 -2.669 9.013 1.00 0.00 C ATOM 688 NH1 ARG A 46 3.846 -3.028 10.231 1.00 0.00 N ATOM 689 NH2 ARG A 46 3.493 -3.554 8.025 1.00 0.00 N ATOM 0 H ARG A 46 2.140 0.844 5.024 1.00 0.00 H new ATOM 0 HA ARG A 46 1.069 -0.486 7.432 1.00 0.00 H new ATOM 0 HB2 ARG A 46 3.461 0.711 7.566 1.00 0.00 H new ATOM 0 HB3 ARG A 46 2.479 2.159 7.652 1.00 0.00 H new ATOM 0 HG2 ARG A 46 2.591 1.717 9.890 1.00 0.00 H new ATOM 0 HG3 ARG A 46 1.188 0.734 9.522 1.00 0.00 H new ATOM 0 HD2 ARG A 46 4.006 -0.115 10.106 1.00 0.00 H new ATOM 0 HD3 ARG A 46 2.499 -0.789 10.693 1.00 0.00 H new ATOM 0 HE ARG A 46 2.772 -1.182 7.832 1.00 0.00 H new ATOM 0 HH11 ARG A 46 3.826 -2.349 10.992 1.00 0.00 H new ATOM 0 HH12 ARG A 46 4.159 -3.983 10.407 1.00 0.00 H new ATOM 0 HH21 ARG A 46 3.201 -3.280 7.087 1.00 0.00 H new ATOM 0 HH22 ARG A 46 3.806 -4.508 8.204 1.00 0.00 H new ATOM 703 N LYS A 47 -0.897 1.007 7.354 1.00 0.00 N ATOM 704 CA LYS A 47 -2.104 1.818 7.254 1.00 0.00 C ATOM 705 C LYS A 47 -2.086 2.951 8.276 1.00 0.00 C ATOM 706 O LYS A 47 -2.378 2.743 9.453 1.00 0.00 O ATOM 707 CB LYS A 47 -3.346 0.949 7.463 1.00 0.00 C ATOM 708 CG LYS A 47 -4.642 1.740 7.508 1.00 0.00 C ATOM 709 CD LYS A 47 -5.735 0.979 8.240 1.00 0.00 C ATOM 710 CE LYS A 47 -7.089 1.653 8.077 1.00 0.00 C ATOM 711 NZ LYS A 47 -7.301 2.724 9.088 1.00 0.00 N ATOM 0 H LYS A 47 -1.005 0.158 7.909 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.136 2.254 6.255 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.406 0.216 6.659 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.237 0.393 8.394 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.469 2.696 8.003 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.969 1.962 6.492 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.787 -0.041 7.859 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.486 0.912 9.299 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -7.165 2.078 7.076 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.879 0.907 8.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.213 3.192 8.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.305 2.306 10.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.534 3.423 9.020 1.00 0.00 H new ATOM 725 N VAL A 48 -1.740 4.149 7.817 1.00 0.00 N ATOM 726 CA VAL A 48 -1.685 5.316 8.690 1.00 0.00 C ATOM 727 C VAL A 48 -3.061 5.636 9.265 1.00 0.00 C ATOM 728 O VAL A 48 -3.216 5.805 10.474 1.00 0.00 O ATOM 729 CB VAL A 48 -1.153 6.552 7.943 1.00 0.00 C ATOM 730 CG1 VAL A 48 -0.676 7.607 8.929 1.00 0.00 C ATOM 731 CG2 VAL A 48 -0.036 6.158 6.989 1.00 0.00 C ATOM 0 H VAL A 48 -1.493 4.337 6.845 1.00 0.00 H new ATOM 0 HA VAL A 48 -1.002 5.071 9.503 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.967 6.979 7.356 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.303 8.474 8.383 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.506 7.910 9.567 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.124 7.195 9.544 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.328 7.044 6.469 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.781 5.706 7.552 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.415 5.441 6.261 1.00 0.00 H new ATOM 741 N ASN A 49 -4.058 5.717 8.390 1.00 0.00 N ATOM 742 CA ASN A 49 -5.422 6.018 8.811 1.00 0.00 C ATOM 743 C ASN A 49 -6.427 5.578 7.752 1.00 0.00 C ATOM 744 O ASN A 49 -6.060 5.303 6.609 1.00 0.00 O ATOM 745 CB ASN A 49 -5.575 7.516 9.084 1.00 0.00 C ATOM 746 CG ASN A 49 -5.202 7.885 10.507 1.00 0.00 C ATOM 747 OD1 ASN A 49 -5.508 7.156 11.449 1.00 0.00 O ATOM 748 ND2 ASN A 49 -4.537 9.023 10.667 1.00 0.00 N ATOM 0 H ASN A 49 -3.947 5.579 7.386 1.00 0.00 H new ATOM 0 HA ASN A 49 -5.623 5.466 9.729 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -4.947 8.075 8.390 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -6.606 7.814 8.892 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -4.259 9.324 11.601 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -4.304 9.596 9.856 1.00 0.00 H new ATOM 755 N GLU A 50 -7.697 5.513 8.139 1.00 0.00 N ATOM 756 CA GLU A 50 -8.755 5.105 7.222 1.00 0.00 C ATOM 757 C GLU A 50 -8.879 6.090 6.063 1.00 0.00 C ATOM 758 O GLU A 50 -9.517 5.797 5.053 1.00 0.00 O ATOM 759 CB GLU A 50 -10.090 5.002 7.963 1.00 0.00 C ATOM 760 CG GLU A 50 -10.334 6.140 8.940 1.00 0.00 C ATOM 761 CD GLU A 50 -9.793 5.846 10.325 1.00 0.00 C ATOM 762 OE1 GLU A 50 -9.034 4.865 10.469 1.00 0.00 O ATOM 763 OE2 GLU A 50 -10.128 6.596 11.265 1.00 0.00 O ATOM 0 H GLU A 50 -8.018 5.737 9.081 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.495 4.126 6.819 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -10.900 4.981 7.234 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -10.123 4.056 8.504 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.868 7.048 8.557 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -11.405 6.334 9.006 1.00 0.00 H new ATOM 770 N ASN A 51 -8.266 7.259 6.218 1.00 0.00 N ATOM 771 CA ASN A 51 -8.309 8.288 5.186 1.00 0.00 C ATOM 772 C ASN A 51 -6.936 8.476 4.548 1.00 0.00 C ATOM 773 O ASN A 51 -6.823 8.984 3.433 1.00 0.00 O ATOM 774 CB ASN A 51 -8.795 9.613 5.776 1.00 0.00 C ATOM 775 CG ASN A 51 -10.118 9.470 6.503 1.00 0.00 C ATOM 776 OD1 ASN A 51 -10.204 9.698 7.710 1.00 0.00 O ATOM 777 ND2 ASN A 51 -11.158 9.092 5.771 1.00 0.00 N ATOM 0 H ASN A 51 -7.733 7.517 7.049 1.00 0.00 H new ATOM 0 HA ASN A 51 -9.008 7.964 4.415 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -8.044 9.998 6.466 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -8.900 10.347 4.977 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -12.074 8.980 6.206 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -11.042 8.914 4.773 1.00 0.00 H new ATOM 784 N TRP A 52 -5.896 8.062 5.264 1.00 0.00 N ATOM 785 CA TRP A 52 -4.530 8.184 4.767 1.00 0.00 C ATOM 786 C TRP A 52 -3.852 6.820 4.698 1.00 0.00 C ATOM 787 O TRP A 52 -3.732 6.123 5.706 1.00 0.00 O ATOM 788 CB TRP A 52 -3.722 9.124 5.664 1.00 0.00 C ATOM 789 CG TRP A 52 -4.136 10.559 5.546 1.00 0.00 C ATOM 790 CD1 TRP A 52 -5.135 11.183 6.235 1.00 0.00 C ATOM 791 CD2 TRP A 52 -3.562 11.549 4.684 1.00 0.00 C ATOM 792 NE1 TRP A 52 -5.218 12.501 5.855 1.00 0.00 N ATOM 793 CE2 TRP A 52 -4.262 12.750 4.905 1.00 0.00 C ATOM 794 CE3 TRP A 52 -2.524 11.536 3.749 1.00 0.00 C ATOM 795 CZ2 TRP A 52 -3.957 13.925 4.223 1.00 0.00 C ATOM 796 CZ3 TRP A 52 -2.223 12.704 3.072 1.00 0.00 C ATOM 797 CH2 TRP A 52 -2.937 13.885 3.313 1.00 0.00 C ATOM 0 H TRP A 52 -5.973 7.640 6.189 1.00 0.00 H new ATOM 0 HA TRP A 52 -4.571 8.599 3.760 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -3.829 8.806 6.701 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -2.665 9.036 5.412 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -5.768 10.710 6.971 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -5.883 13.183 6.220 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -1.967 10.631 3.558 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -4.507 14.836 4.406 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -1.424 12.706 2.345 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -2.677 14.781 2.770 1.00 0.00 H new ATOM 808 N TYR A 53 -3.410 6.444 3.503 1.00 0.00 N ATOM 809 CA TYR A 53 -2.745 5.162 3.302 1.00 0.00 C ATOM 810 C TYR A 53 -1.301 5.361 2.854 1.00 0.00 C ATOM 811 O TYR A 53 -1.010 6.226 2.027 1.00 0.00 O ATOM 812 CB TYR A 53 -3.502 4.329 2.267 1.00 0.00 C ATOM 813 CG TYR A 53 -4.651 3.537 2.850 1.00 0.00 C ATOM 814 CD1 TYR A 53 -4.420 2.404 3.619 1.00 0.00 C ATOM 815 CD2 TYR A 53 -5.968 3.923 2.631 1.00 0.00 C ATOM 816 CE1 TYR A 53 -5.467 1.677 4.154 1.00 0.00 C ATOM 817 CE2 TYR A 53 -7.021 3.204 3.162 1.00 0.00 C ATOM 818 CZ TYR A 53 -6.766 2.082 3.922 1.00 0.00 C ATOM 819 OH TYR A 53 -7.812 1.362 4.453 1.00 0.00 O ATOM 0 H TYR A 53 -3.500 7.009 2.659 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.740 4.631 4.254 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.885 4.991 1.490 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.806 3.642 1.786 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -3.405 2.085 3.802 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -6.172 4.800 2.035 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -5.270 0.798 4.750 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -8.038 3.519 2.983 1.00 0.00 H new ATOM 0 HH TYR A 53 -8.660 1.780 4.197 1.00 0.00 H new ATOM 829 N GLU A 54 -0.400 4.553 3.404 1.00 0.00 N ATOM 830 CA GLU A 54 1.014 4.640 3.061 1.00 0.00 C ATOM 831 C GLU A 54 1.440 3.453 2.204 1.00 0.00 C ATOM 832 O GLU A 54 1.111 2.306 2.504 1.00 0.00 O ATOM 833 CB GLU A 54 1.867 4.699 4.330 1.00 0.00 C ATOM 834 CG GLU A 54 3.361 4.757 4.058 1.00 0.00 C ATOM 835 CD GLU A 54 4.159 5.200 5.269 1.00 0.00 C ATOM 836 OE1 GLU A 54 3.969 6.350 5.717 1.00 0.00 O ATOM 837 OE2 GLU A 54 4.972 4.395 5.769 1.00 0.00 O ATOM 0 H GLU A 54 -0.624 3.831 4.089 1.00 0.00 H new ATOM 0 HA GLU A 54 1.166 5.554 2.487 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.578 5.575 4.911 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.652 3.824 4.943 1.00 0.00 H new ATOM 0 HG2 GLU A 54 3.707 3.773 3.740 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.550 5.443 3.233 1.00 0.00 H new ATOM 844 N GLY A 55 2.175 3.736 1.133 1.00 0.00 N ATOM 845 CA GLY A 55 2.634 2.682 0.246 1.00 0.00 C ATOM 846 C GLY A 55 3.897 3.061 -0.501 1.00 0.00 C ATOM 847 O GLY A 55 4.548 4.053 -0.171 1.00 0.00 O ATOM 0 H GLY A 55 2.461 4.677 0.863 1.00 0.00 H new ATOM 0 HA2 GLY A 55 2.816 1.777 0.826 1.00 0.00 H new ATOM 0 HA3 GLY A 55 1.848 2.447 -0.472 1.00 0.00 H new ATOM 851 N ARG A 56 4.245 2.271 -1.510 1.00 0.00 N ATOM 852 CA ARG A 56 5.441 2.528 -2.306 1.00 0.00 C ATOM 853 C ARG A 56 5.239 2.080 -3.750 1.00 0.00 C ATOM 854 O ARG A 56 4.290 1.359 -4.060 1.00 0.00 O ATOM 855 CB ARG A 56 6.646 1.806 -1.701 1.00 0.00 C ATOM 856 CG ARG A 56 6.619 0.299 -1.902 1.00 0.00 C ATOM 857 CD ARG A 56 8.024 -0.282 -1.943 1.00 0.00 C ATOM 858 NE ARG A 56 8.539 -0.564 -0.605 1.00 0.00 N ATOM 859 CZ ARG A 56 9.658 -1.241 -0.377 1.00 0.00 C ATOM 860 NH1 ARG A 56 10.377 -1.702 -1.391 1.00 0.00 N ATOM 861 NH2 ARG A 56 10.062 -1.456 0.869 1.00 0.00 N ATOM 0 H ARG A 56 3.717 1.447 -1.797 1.00 0.00 H new ATOM 0 HA ARG A 56 5.628 3.602 -2.299 1.00 0.00 H new ATOM 0 HB2 ARG A 56 7.558 2.206 -2.143 1.00 0.00 H new ATOM 0 HB3 ARG A 56 6.689 2.021 -0.633 1.00 0.00 H new ATOM 0 HG2 ARG A 56 6.055 -0.167 -1.094 1.00 0.00 H new ATOM 0 HG3 ARG A 56 6.099 0.064 -2.831 1.00 0.00 H new ATOM 0 HD2 ARG A 56 8.020 -1.200 -2.531 1.00 0.00 H new ATOM 0 HD3 ARG A 56 8.691 0.417 -2.448 1.00 0.00 H new ATOM 0 HE ARG A 56 8.010 -0.222 0.197 1.00 0.00 H new ATOM 0 HH11 ARG A 56 10.071 -1.537 -2.350 1.00 0.00 H new ATOM 0 HH12 ARG A 56 11.236 -2.222 -1.212 1.00 0.00 H new ATOM 0 HH21 ARG A 56 9.513 -1.101 1.652 1.00 0.00 H new ATOM 0 HH22 ARG A 56 10.922 -1.976 1.044 1.00 0.00 H new ATOM 875 N ILE A 57 6.137 2.512 -4.629 1.00 0.00 N ATOM 876 CA ILE A 57 6.059 2.156 -6.040 1.00 0.00 C ATOM 877 C ILE A 57 7.241 1.287 -6.455 1.00 0.00 C ATOM 878 O ILE A 57 8.264 1.792 -6.918 1.00 0.00 O ATOM 879 CB ILE A 57 6.016 3.408 -6.935 1.00 0.00 C ATOM 880 CG1 ILE A 57 4.848 4.311 -6.532 1.00 0.00 C ATOM 881 CG2 ILE A 57 5.904 3.009 -8.400 1.00 0.00 C ATOM 882 CD1 ILE A 57 3.499 3.633 -6.630 1.00 0.00 C ATOM 0 H ILE A 57 6.928 3.110 -4.388 1.00 0.00 H new ATOM 0 HA ILE A 57 5.135 1.593 -6.172 1.00 0.00 H new ATOM 0 HB ILE A 57 6.944 3.964 -6.800 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.000 4.653 -5.508 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.848 5.197 -7.168 1.00 0.00 H new ATOM 0 HG21 ILE A 57 5.875 3.905 -9.020 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.766 2.403 -8.679 1.00 0.00 H new ATOM 0 HG23 ILE A 57 4.991 2.433 -8.551 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.718 4.331 -6.329 1.00 0.00 H new ATOM 0 HD12 ILE A 57 3.325 3.315 -7.658 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.480 2.763 -5.973 1.00 0.00 H new ATOM 894 N THR A 58 7.094 -0.023 -6.286 1.00 0.00 N ATOM 895 CA THR A 58 8.148 -0.963 -6.643 1.00 0.00 C ATOM 896 C THR A 58 8.912 -0.491 -7.875 1.00 0.00 C ATOM 897 O THR A 58 8.323 0.045 -8.814 1.00 0.00 O ATOM 898 CB THR A 58 7.581 -2.369 -6.912 1.00 0.00 C ATOM 899 OG1 THR A 58 8.611 -3.225 -7.420 1.00 0.00 O ATOM 900 CG2 THR A 58 6.432 -2.307 -7.908 1.00 0.00 C ATOM 0 H THR A 58 6.254 -0.457 -5.904 1.00 0.00 H new ATOM 0 HA THR A 58 8.829 -1.011 -5.793 1.00 0.00 H new ATOM 0 HB THR A 58 7.206 -2.771 -5.971 1.00 0.00 H new ATOM 0 HG1 THR A 58 8.242 -4.117 -7.587 1.00 0.00 H new ATOM 0 HG21 THR A 58 6.047 -3.312 -8.083 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.637 -1.678 -7.507 1.00 0.00 H new ATOM 0 HG23 THR A 58 6.788 -1.886 -8.848 1.00 0.00 H new ATOM 908 N GLY A 59 10.226 -0.694 -7.866 1.00 0.00 N ATOM 909 CA GLY A 59 11.047 -0.283 -8.989 1.00 0.00 C ATOM 910 C GLY A 59 11.555 1.138 -8.848 1.00 0.00 C ATOM 911 O GLY A 59 12.633 1.473 -9.338 1.00 0.00 O ATOM 0 H GLY A 59 10.736 -1.136 -7.101 1.00 0.00 H new ATOM 0 HA2 GLY A 59 11.895 -0.961 -9.082 1.00 0.00 H new ATOM 0 HA3 GLY A 59 10.468 -0.369 -9.909 1.00 0.00 H new ATOM 915 N THR A 60 10.775 1.979 -8.175 1.00 0.00 N ATOM 916 CA THR A 60 11.150 3.373 -7.972 1.00 0.00 C ATOM 917 C THR A 60 11.264 3.702 -6.488 1.00 0.00 C ATOM 918 O THR A 60 10.637 3.056 -5.649 1.00 0.00 O ATOM 919 CB THR A 60 10.130 4.329 -8.620 1.00 0.00 C ATOM 920 OG1 THR A 60 8.824 4.086 -8.088 1.00 0.00 O ATOM 921 CG2 THR A 60 10.108 4.153 -10.131 1.00 0.00 C ATOM 0 H THR A 60 9.880 1.719 -7.761 1.00 0.00 H new ATOM 0 HA THR A 60 12.121 3.511 -8.448 1.00 0.00 H new ATOM 0 HB THR A 60 10.429 5.352 -8.393 1.00 0.00 H new ATOM 0 HG1 THR A 60 8.878 3.404 -7.386 1.00 0.00 H new ATOM 0 HG21 THR A 60 9.381 4.838 -10.567 1.00 0.00 H new ATOM 0 HG22 THR A 60 11.097 4.367 -10.537 1.00 0.00 H new ATOM 0 HG23 THR A 60 9.831 3.127 -10.374 1.00 0.00 H new ATOM 929 N GLY A 61 12.070 4.711 -6.170 1.00 0.00 N ATOM 930 CA GLY A 61 12.252 5.107 -4.786 1.00 0.00 C ATOM 931 C GLY A 61 11.009 5.745 -4.198 1.00 0.00 C ATOM 932 O GLY A 61 10.879 5.859 -2.979 1.00 0.00 O ATOM 0 H GLY A 61 12.600 5.261 -6.846 1.00 0.00 H new ATOM 0 HA2 GLY A 61 12.523 4.233 -4.194 1.00 0.00 H new ATOM 0 HA3 GLY A 61 13.084 5.808 -4.718 1.00 0.00 H new ATOM 936 N ARG A 62 10.093 6.163 -5.065 1.00 0.00 N ATOM 937 CA ARG A 62 8.856 6.796 -4.624 1.00 0.00 C ATOM 938 C ARG A 62 8.242 6.032 -3.454 1.00 0.00 C ATOM 939 O ARG A 62 8.075 4.815 -3.515 1.00 0.00 O ATOM 940 CB ARG A 62 7.855 6.869 -5.780 1.00 0.00 C ATOM 941 CG ARG A 62 8.086 8.049 -6.710 1.00 0.00 C ATOM 942 CD ARG A 62 9.384 7.900 -7.489 1.00 0.00 C ATOM 943 NE ARG A 62 9.617 9.030 -8.384 1.00 0.00 N ATOM 944 CZ ARG A 62 8.902 9.260 -9.480 1.00 0.00 C ATOM 945 NH1 ARG A 62 7.912 8.444 -9.813 1.00 0.00 N ATOM 946 NH2 ARG A 62 9.175 10.310 -10.244 1.00 0.00 N ATOM 0 H ARG A 62 10.184 6.075 -6.077 1.00 0.00 H new ATOM 0 HA ARG A 62 9.093 7.807 -4.292 1.00 0.00 H new ATOM 0 HB2 ARG A 62 7.911 5.946 -6.357 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.846 6.930 -5.373 1.00 0.00 H new ATOM 0 HG2 ARG A 62 7.251 8.134 -7.405 1.00 0.00 H new ATOM 0 HG3 ARG A 62 8.113 8.971 -6.129 1.00 0.00 H new ATOM 0 HD2 ARG A 62 10.217 7.812 -6.792 1.00 0.00 H new ATOM 0 HD3 ARG A 62 9.355 6.978 -8.069 1.00 0.00 H new ATOM 0 HE ARG A 62 10.370 9.679 -8.155 1.00 0.00 H new ATOM 0 HH11 ARG A 62 7.697 7.637 -9.227 1.00 0.00 H new ATOM 0 HH12 ARG A 62 7.365 8.623 -10.655 1.00 0.00 H new ATOM 0 HH21 ARG A 62 9.935 10.942 -9.990 1.00 0.00 H new ATOM 0 HH22 ARG A 62 8.625 10.485 -11.085 1.00 0.00 H new ATOM 960 N GLN A 63 7.909 6.758 -2.391 1.00 0.00 N ATOM 961 CA GLN A 63 7.315 6.148 -1.207 1.00 0.00 C ATOM 962 C GLN A 63 6.796 7.214 -0.249 1.00 0.00 C ATOM 963 O GLN A 63 7.553 8.067 0.215 1.00 0.00 O ATOM 964 CB GLN A 63 8.339 5.260 -0.497 1.00 0.00 C ATOM 965 CG GLN A 63 7.804 4.608 0.768 1.00 0.00 C ATOM 966 CD GLN A 63 8.908 4.169 1.710 1.00 0.00 C ATOM 967 OE1 GLN A 63 10.077 4.502 1.512 1.00 0.00 O ATOM 968 NE2 GLN A 63 8.543 3.417 2.741 1.00 0.00 N ATOM 0 H GLN A 63 8.040 7.767 -2.326 1.00 0.00 H new ATOM 0 HA GLN A 63 6.474 5.534 -1.528 1.00 0.00 H new ATOM 0 HB2 GLN A 63 8.672 4.482 -1.184 1.00 0.00 H new ATOM 0 HB3 GLN A 63 9.214 5.859 -0.245 1.00 0.00 H new ATOM 0 HG2 GLN A 63 7.149 5.309 1.284 1.00 0.00 H new ATOM 0 HG3 GLN A 63 7.197 3.744 0.498 1.00 0.00 H new ATOM 0 HE21 GLN A 63 7.563 3.165 2.867 1.00 0.00 H new ATOM 0 HE22 GLN A 63 9.243 3.091 3.408 1.00 0.00 H new ATOM 977 N GLY A 64 5.500 7.160 0.045 1.00 0.00 N ATOM 978 CA GLY A 64 4.903 8.127 0.947 1.00 0.00 C ATOM 979 C GLY A 64 3.436 7.849 1.205 1.00 0.00 C ATOM 980 O GLY A 64 2.914 6.810 0.801 1.00 0.00 O ATOM 0 H GLY A 64 4.853 6.464 -0.326 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.443 8.118 1.894 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.012 9.127 0.527 1.00 0.00 H new ATOM 984 N ILE A 65 2.769 8.779 1.882 1.00 0.00 N ATOM 985 CA ILE A 65 1.354 8.628 2.194 1.00 0.00 C ATOM 986 C ILE A 65 0.482 9.262 1.115 1.00 0.00 C ATOM 987 O ILE A 65 0.920 10.163 0.399 1.00 0.00 O ATOM 988 CB ILE A 65 1.007 9.259 3.555 1.00 0.00 C ATOM 989 CG1 ILE A 65 1.402 10.737 3.572 1.00 0.00 C ATOM 990 CG2 ILE A 65 1.700 8.506 4.681 1.00 0.00 C ATOM 991 CD1 ILE A 65 0.574 11.573 4.522 1.00 0.00 C ATOM 0 H ILE A 65 3.187 9.644 2.224 1.00 0.00 H new ATOM 0 HA ILE A 65 1.153 7.558 2.237 1.00 0.00 H new ATOM 0 HB ILE A 65 -0.070 9.189 3.707 1.00 0.00 H new ATOM 0 HG12 ILE A 65 2.453 10.821 3.849 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.305 11.142 2.565 1.00 0.00 H new ATOM 0 HG21 ILE A 65 1.445 8.964 5.636 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.373 7.466 4.678 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.780 8.547 4.536 1.00 0.00 H new ATOM 0 HD11 ILE A 65 0.909 12.609 4.482 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -0.476 11.520 4.233 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.691 11.193 5.537 1.00 0.00 H new ATOM 1003 N PHE A 66 -0.755 8.788 1.007 1.00 0.00 N ATOM 1004 CA PHE A 66 -1.689 9.309 0.016 1.00 0.00 C ATOM 1005 C PHE A 66 -3.132 9.106 0.469 1.00 0.00 C ATOM 1006 O PHE A 66 -3.434 8.244 1.294 1.00 0.00 O ATOM 1007 CB PHE A 66 -1.466 8.627 -1.336 1.00 0.00 C ATOM 1008 CG PHE A 66 -1.185 7.155 -1.225 1.00 0.00 C ATOM 1009 CD1 PHE A 66 -2.225 6.244 -1.132 1.00 0.00 C ATOM 1010 CD2 PHE A 66 0.118 6.683 -1.214 1.00 0.00 C ATOM 1011 CE1 PHE A 66 -1.971 4.889 -1.030 1.00 0.00 C ATOM 1012 CE2 PHE A 66 0.377 5.329 -1.113 1.00 0.00 C ATOM 1013 CZ PHE A 66 -0.668 4.431 -1.020 1.00 0.00 C ATOM 0 H PHE A 66 -1.134 8.044 1.593 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.507 10.378 -0.091 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.349 8.775 -1.958 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.632 9.111 -1.845 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.246 6.597 -1.139 1.00 0.00 H new ATOM 0 HD2 PHE A 66 0.940 7.380 -1.285 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -2.791 4.189 -0.958 1.00 0.00 H new ATOM 0 HE2 PHE A 66 1.397 4.973 -1.107 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.467 3.373 -0.940 1.00 0.00 H new ATOM 1023 N PRO A 67 -4.045 9.919 -0.084 1.00 0.00 N ATOM 1024 CA PRO A 67 -5.471 9.848 0.247 1.00 0.00 C ATOM 1025 C PRO A 67 -6.129 8.582 -0.290 1.00 0.00 C ATOM 1026 O PRO A 67 -5.912 8.198 -1.439 1.00 0.00 O ATOM 1027 CB PRO A 67 -6.056 11.086 -0.436 1.00 0.00 C ATOM 1028 CG PRO A 67 -5.119 11.378 -1.558 1.00 0.00 C ATOM 1029 CD PRO A 67 -3.755 10.968 -1.075 1.00 0.00 C ATOM 0 HA PRO A 67 -5.638 9.820 1.324 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -7.065 10.897 -0.802 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.120 11.926 0.255 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -5.399 10.824 -2.454 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -5.139 12.436 -1.818 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.137 10.591 -1.890 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -3.218 11.805 -0.629 1.00 0.00 H new ATOM 1037 N ALA A 68 -6.933 7.938 0.548 1.00 0.00 N ATOM 1038 CA ALA A 68 -7.625 6.715 0.156 1.00 0.00 C ATOM 1039 C ALA A 68 -8.596 6.978 -0.990 1.00 0.00 C ATOM 1040 O ALA A 68 -8.568 6.292 -2.011 1.00 0.00 O ATOM 1041 CB ALA A 68 -8.361 6.119 1.347 1.00 0.00 C ATOM 0 H ALA A 68 -7.122 8.242 1.503 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.879 6.000 -0.190 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -8.873 5.207 1.039 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -7.647 5.886 2.137 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -9.092 6.837 1.720 1.00 0.00 H new ATOM 1047 N SER A 69 -9.456 7.977 -0.813 1.00 0.00 N ATOM 1048 CA SER A 69 -10.440 8.328 -1.832 1.00 0.00 C ATOM 1049 C SER A 69 -9.820 8.280 -3.225 1.00 0.00 C ATOM 1050 O SER A 69 -10.518 8.100 -4.222 1.00 0.00 O ATOM 1051 CB SER A 69 -11.010 9.721 -1.562 1.00 0.00 C ATOM 1052 OG SER A 69 -12.262 9.892 -2.202 1.00 0.00 O ATOM 0 H SER A 69 -9.491 8.557 0.025 1.00 0.00 H new ATOM 0 HA SER A 69 -11.248 7.598 -1.788 1.00 0.00 H new ATOM 0 HB2 SER A 69 -11.124 9.869 -0.488 1.00 0.00 H new ATOM 0 HB3 SER A 69 -10.311 10.478 -1.916 1.00 0.00 H new ATOM 0 HG SER A 69 -12.606 10.790 -2.013 1.00 0.00 H new ATOM 1058 N TYR A 70 -8.502 8.445 -3.284 1.00 0.00 N ATOM 1059 CA TYR A 70 -7.787 8.424 -4.555 1.00 0.00 C ATOM 1060 C TYR A 70 -7.487 6.992 -4.989 1.00 0.00 C ATOM 1061 O TYR A 70 -7.571 6.659 -6.170 1.00 0.00 O ATOM 1062 CB TYR A 70 -6.484 9.218 -4.444 1.00 0.00 C ATOM 1063 CG TYR A 70 -6.677 10.714 -4.545 1.00 0.00 C ATOM 1064 CD1 TYR A 70 -7.386 11.411 -3.575 1.00 0.00 C ATOM 1065 CD2 TYR A 70 -6.146 11.431 -5.611 1.00 0.00 C ATOM 1066 CE1 TYR A 70 -7.565 12.778 -3.665 1.00 0.00 C ATOM 1067 CE2 TYR A 70 -6.319 12.799 -5.708 1.00 0.00 C ATOM 1068 CZ TYR A 70 -7.028 13.467 -4.733 1.00 0.00 C ATOM 1069 OH TYR A 70 -7.203 14.830 -4.825 1.00 0.00 O ATOM 0 H TYR A 70 -7.909 8.594 -2.468 1.00 0.00 H new ATOM 0 HA TYR A 70 -8.424 8.887 -5.309 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -6.006 8.985 -3.492 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -5.803 8.894 -5.231 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -7.805 10.875 -2.736 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -5.589 10.911 -6.376 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -8.122 13.304 -2.904 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -5.901 13.341 -6.543 1.00 0.00 H new ATOM 0 HH TYR A 70 -6.762 15.162 -5.635 1.00 0.00 H new ATOM 1079 N VAL A 71 -7.140 6.149 -4.022 1.00 0.00 N ATOM 1080 CA VAL A 71 -6.829 4.752 -4.302 1.00 0.00 C ATOM 1081 C VAL A 71 -7.985 3.841 -3.900 1.00 0.00 C ATOM 1082 O VAL A 71 -8.946 4.284 -3.272 1.00 0.00 O ATOM 1083 CB VAL A 71 -5.555 4.302 -3.565 1.00 0.00 C ATOM 1084 CG1 VAL A 71 -4.404 5.255 -3.855 1.00 0.00 C ATOM 1085 CG2 VAL A 71 -5.811 4.203 -2.068 1.00 0.00 C ATOM 0 H VAL A 71 -7.067 6.409 -3.038 1.00 0.00 H new ATOM 0 HA VAL A 71 -6.664 4.673 -5.377 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.277 3.313 -3.929 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.512 4.920 -3.325 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -4.205 5.270 -4.927 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -4.669 6.258 -3.521 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -4.899 3.884 -1.563 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.115 5.177 -1.686 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.602 3.477 -1.881 1.00 0.00 H new ATOM 1095 N GLN A 72 -7.881 2.568 -4.265 1.00 0.00 N ATOM 1096 CA GLN A 72 -8.918 1.594 -3.943 1.00 0.00 C ATOM 1097 C GLN A 72 -8.369 0.492 -3.043 1.00 0.00 C ATOM 1098 O GLN A 72 -7.404 -0.187 -3.394 1.00 0.00 O ATOM 1099 CB GLN A 72 -9.492 0.985 -5.223 1.00 0.00 C ATOM 1100 CG GLN A 72 -10.460 -0.159 -4.971 1.00 0.00 C ATOM 1101 CD GLN A 72 -11.015 -0.746 -6.254 1.00 0.00 C ATOM 1102 OE1 GLN A 72 -11.960 -0.212 -6.837 1.00 0.00 O ATOM 1103 NE2 GLN A 72 -10.431 -1.852 -6.701 1.00 0.00 N ATOM 0 H GLN A 72 -7.090 2.186 -4.784 1.00 0.00 H new ATOM 0 HA GLN A 72 -9.714 2.112 -3.408 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -10.003 1.764 -5.789 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -8.672 0.626 -5.844 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -9.953 -0.942 -4.407 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -11.284 0.197 -4.352 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -9.651 -2.261 -6.186 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -10.763 -2.293 -7.559 1.00 0.00 H new ATOM 1112 N VAL A 73 -8.990 0.320 -1.880 1.00 0.00 N ATOM 1113 CA VAL A 73 -8.564 -0.700 -0.930 1.00 0.00 C ATOM 1114 C VAL A 73 -9.113 -2.070 -1.312 1.00 0.00 C ATOM 1115 O VAL A 73 -10.327 -2.270 -1.369 1.00 0.00 O ATOM 1116 CB VAL A 73 -9.018 -0.358 0.502 1.00 0.00 C ATOM 1117 CG1 VAL A 73 -8.598 -1.453 1.471 1.00 0.00 C ATOM 1118 CG2 VAL A 73 -8.457 0.990 0.931 1.00 0.00 C ATOM 0 H VAL A 73 -9.790 0.874 -1.574 1.00 0.00 H new ATOM 0 HA VAL A 73 -7.475 -0.727 -0.961 1.00 0.00 H new ATOM 0 HB VAL A 73 -10.106 -0.293 0.514 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -8.927 -1.194 2.477 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -9.053 -2.397 1.172 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -7.513 -1.553 1.459 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -8.788 1.216 1.945 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -7.368 0.956 0.904 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -8.813 1.765 0.252 1.00 0.00 H new ATOM 1128 N SER A 74 -8.211 -3.011 -1.571 1.00 0.00 N ATOM 1129 CA SER A 74 -8.605 -4.363 -1.951 1.00 0.00 C ATOM 1130 C SER A 74 -8.287 -5.355 -0.836 1.00 0.00 C ATOM 1131 O SER A 74 -9.098 -6.222 -0.512 1.00 0.00 O ATOM 1132 CB SER A 74 -7.895 -4.782 -3.240 1.00 0.00 C ATOM 1133 OG SER A 74 -8.238 -3.922 -4.312 1.00 0.00 O ATOM 0 H SER A 74 -7.203 -2.863 -1.525 1.00 0.00 H new ATOM 0 HA SER A 74 -9.682 -4.366 -2.121 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.816 -4.765 -3.087 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.165 -5.808 -3.491 1.00 0.00 H new ATOM 0 HG SER A 74 -7.771 -4.209 -5.124 1.00 0.00 H new ATOM 1139 N ARG A 75 -7.099 -5.221 -0.254 1.00 0.00 N ATOM 1140 CA ARG A 75 -6.671 -6.106 0.823 1.00 0.00 C ATOM 1141 C ARG A 75 -6.059 -5.308 1.971 1.00 0.00 C ATOM 1142 O ARG A 75 -4.868 -5.003 1.960 1.00 0.00 O ATOM 1143 CB ARG A 75 -5.659 -7.126 0.301 1.00 0.00 C ATOM 1144 CG ARG A 75 -5.160 -8.088 1.366 1.00 0.00 C ATOM 1145 CD ARG A 75 -6.169 -9.191 1.640 1.00 0.00 C ATOM 1146 NE ARG A 75 -6.140 -10.228 0.611 1.00 0.00 N ATOM 1147 CZ ARG A 75 -6.954 -11.277 0.601 1.00 0.00 C ATOM 1148 NH1 ARG A 75 -7.855 -11.429 1.561 1.00 0.00 N ATOM 1149 NH2 ARG A 75 -6.866 -12.178 -0.369 1.00 0.00 N ATOM 0 H ARG A 75 -6.416 -4.508 -0.510 1.00 0.00 H new ATOM 0 HA ARG A 75 -7.549 -6.634 1.197 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.115 -7.697 -0.507 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -4.808 -6.595 -0.125 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.216 -8.529 1.045 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.960 -7.540 2.287 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -5.961 -9.639 2.612 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -7.169 -8.762 1.694 1.00 0.00 H new ATOM 0 HE ARG A 75 -5.457 -10.141 -0.141 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -7.924 -10.739 2.309 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -8.479 -12.236 1.551 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -6.172 -12.065 -1.108 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -7.492 -12.983 -0.375 1.00 0.00 H new ATOM 1163 N GLU A 76 -6.885 -4.972 2.958 1.00 0.00 N ATOM 1164 CA GLU A 76 -6.424 -4.209 4.111 1.00 0.00 C ATOM 1165 C GLU A 76 -5.320 -4.958 4.854 1.00 0.00 C ATOM 1166 O GLU A 76 -5.328 -6.184 4.955 1.00 0.00 O ATOM 1167 CB GLU A 76 -7.590 -3.924 5.060 1.00 0.00 C ATOM 1168 CG GLU A 76 -8.613 -2.955 4.493 1.00 0.00 C ATOM 1169 CD GLU A 76 -9.989 -3.134 5.105 1.00 0.00 C ATOM 1170 OE1 GLU A 76 -10.082 -3.203 6.348 1.00 0.00 O ATOM 1171 OE2 GLU A 76 -10.973 -3.207 4.339 1.00 0.00 O ATOM 0 H GLU A 76 -7.875 -5.216 2.981 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.018 -3.264 3.751 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -8.087 -4.863 5.303 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.198 -3.520 5.993 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.274 -1.933 4.664 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.679 -3.093 3.414 1.00 0.00 H new ATOM 1178 N PRO A 77 -4.348 -4.202 5.386 1.00 0.00 N ATOM 1179 CA PRO A 77 -3.221 -4.772 6.129 1.00 0.00 C ATOM 1180 C PRO A 77 -3.645 -5.349 7.475 1.00 0.00 C ATOM 1181 O PRO A 77 -4.833 -5.536 7.733 1.00 0.00 O ATOM 1182 CB PRO A 77 -2.287 -3.575 6.330 1.00 0.00 C ATOM 1183 CG PRO A 77 -3.181 -2.384 6.274 1.00 0.00 C ATOM 1184 CD PRO A 77 -4.276 -2.734 5.304 1.00 0.00 C ATOM 0 HA PRO A 77 -2.761 -5.604 5.596 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -1.767 -3.635 7.286 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -1.523 -3.534 5.553 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -3.590 -2.156 7.258 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -2.634 -1.501 5.944 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -5.222 -2.269 5.581 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -4.040 -2.399 4.294 1.00 0.00 H new