USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 492 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 11 GLN : amide:sc= -0.249 K(o=-0.25,f=-3.3!) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 THR OG1 : rot 133:sc= 0.479 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.922 K(o=-0.92,f=-1.5) USER MOD Single : A 31 THR OG1 : rot -56:sc= -2.73! USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 42 GLN : amide:sc=-0.00125 X(o=-0.0013,f=-0.1) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 GLN : amide:sc= -1.8 K(o=-1.8,f=-3) USER MOD Single : A 54 SER OG : rot -90:sc= -0.738 USER MOD Single : A 55 LYS NZ :NH3+ 136:sc= -1.19 (180deg=-2.85!) USER MOD Single : A 57 THR OG1 : rot 68:sc= 0.0943 USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 62 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.00725) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 190 N GLN A 11 4.289 11.499 -3.441 1.00 0.00 N ATOM 191 CA GLN A 11 4.071 11.877 -2.049 1.00 0.00 C ATOM 192 C GLN A 11 3.958 10.627 -1.185 1.00 0.00 C ATOM 193 O GLN A 11 4.620 10.508 -0.153 1.00 0.00 O ATOM 194 CB GLN A 11 2.803 12.723 -1.917 1.00 0.00 C ATOM 195 CG GLN A 11 3.042 14.213 -2.094 1.00 0.00 C ATOM 196 CD GLN A 11 3.638 14.859 -0.857 1.00 0.00 C ATOM 197 OE1 GLN A 11 4.465 14.263 -0.169 1.00 0.00 O ATOM 198 NE2 GLN A 11 3.217 16.086 -0.571 1.00 0.00 N ATOM 0 HA GLN A 11 4.920 12.470 -1.710 1.00 0.00 H new ATOM 0 HB2 GLN A 11 2.076 12.390 -2.658 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.361 12.549 -0.936 1.00 0.00 H new ATOM 0 HG2 GLN A 11 3.710 14.372 -2.940 1.00 0.00 H new ATOM 0 HG3 GLN A 11 2.099 14.702 -2.336 1.00 0.00 H new ATOM 0 HE21 GLN A 11 2.529 16.542 -1.171 1.00 0.00 H new ATOM 0 HE22 GLN A 11 3.582 16.572 0.248 1.00 0.00 H new ATOM 207 N ILE A 12 3.156 9.676 -1.647 1.00 0.00 N ATOM 208 CA ILE A 12 2.994 8.409 -0.964 1.00 0.00 C ATOM 209 C ILE A 12 4.319 7.664 -0.902 1.00 0.00 C ATOM 210 O ILE A 12 4.675 7.078 0.120 1.00 0.00 O ATOM 211 CB ILE A 12 1.970 7.512 -1.685 1.00 0.00 C ATOM 212 CG1 ILE A 12 0.744 8.331 -2.121 1.00 0.00 C ATOM 213 CG2 ILE A 12 1.561 6.375 -0.783 1.00 0.00 C ATOM 214 CD1 ILE A 12 -0.446 7.488 -2.544 1.00 0.00 C ATOM 0 H ILE A 12 2.605 9.765 -2.501 1.00 0.00 H new ATOM 0 HA ILE A 12 2.638 8.630 0.042 1.00 0.00 H new ATOM 0 HB ILE A 12 2.433 7.099 -2.581 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.442 8.979 -1.298 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.029 8.979 -2.950 1.00 0.00 H new ATOM 0 HG21 ILE A 12 0.837 5.744 -1.298 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.438 5.783 -0.524 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.112 6.775 0.126 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.269 8.141 -2.837 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.164 6.859 -3.388 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.761 6.859 -1.711 1.00 0.00 H new ATOM 226 N MET A 13 5.035 7.681 -2.021 1.00 0.00 N ATOM 227 CA MET A 13 6.306 6.982 -2.137 1.00 0.00 C ATOM 228 C MET A 13 7.262 7.382 -1.021 1.00 0.00 C ATOM 229 O MET A 13 8.115 6.596 -0.609 1.00 0.00 O ATOM 230 CB MET A 13 6.943 7.283 -3.495 1.00 0.00 C ATOM 231 CG MET A 13 8.119 6.383 -3.837 1.00 0.00 C ATOM 232 SD MET A 13 9.682 7.004 -3.188 1.00 0.00 S ATOM 233 CE MET A 13 10.766 6.713 -4.584 1.00 0.00 C ATOM 0 H MET A 13 4.752 8.176 -2.867 1.00 0.00 H new ATOM 0 HA MET A 13 6.112 5.913 -2.052 1.00 0.00 H new ATOM 0 HB2 MET A 13 6.184 7.183 -4.271 1.00 0.00 H new ATOM 0 HB3 MET A 13 7.277 8.321 -3.507 1.00 0.00 H new ATOM 0 HG2 MET A 13 7.936 5.385 -3.438 1.00 0.00 H new ATOM 0 HG3 MET A 13 8.193 6.285 -4.920 1.00 0.00 H new ATOM 0 HE1 MET A 13 11.774 7.046 -4.338 1.00 0.00 H new ATOM 0 HE2 MET A 13 10.782 5.648 -4.816 1.00 0.00 H new ATOM 0 HE3 MET A 13 10.402 7.267 -5.449 1.00 0.00 H new ATOM 243 N MET A 14 7.126 8.614 -0.547 1.00 0.00 N ATOM 244 CA MET A 14 7.988 9.128 0.499 1.00 0.00 C ATOM 245 C MET A 14 7.522 8.670 1.883 1.00 0.00 C ATOM 246 O MET A 14 8.276 8.750 2.853 1.00 0.00 O ATOM 247 CB MET A 14 8.024 10.660 0.419 1.00 0.00 C ATOM 248 CG MET A 14 8.600 11.334 1.651 1.00 0.00 C ATOM 249 SD MET A 14 8.874 13.101 1.414 1.00 0.00 S ATOM 250 CE MET A 14 10.617 13.119 1.001 1.00 0.00 C ATOM 0 H MET A 14 6.422 9.275 -0.875 1.00 0.00 H new ATOM 0 HA MET A 14 8.993 8.733 0.349 1.00 0.00 H new ATOM 0 HB2 MET A 14 8.612 10.953 -0.450 1.00 0.00 H new ATOM 0 HB3 MET A 14 7.011 11.028 0.257 1.00 0.00 H new ATOM 0 HG2 MET A 14 7.922 11.185 2.492 1.00 0.00 H new ATOM 0 HG3 MET A 14 9.544 10.856 1.914 1.00 0.00 H new ATOM 0 HE1 MET A 14 10.939 14.145 0.825 1.00 0.00 H new ATOM 0 HE2 MET A 14 11.191 12.695 1.825 1.00 0.00 H new ATOM 0 HE3 MET A 14 10.784 12.527 0.101 1.00 0.00 H new ATOM 260 N GLN A 15 6.276 8.207 1.981 1.00 0.00 N ATOM 261 CA GLN A 15 5.736 7.778 3.267 1.00 0.00 C ATOM 262 C GLN A 15 5.789 6.261 3.435 1.00 0.00 C ATOM 263 O GLN A 15 6.216 5.766 4.478 1.00 0.00 O ATOM 264 CB GLN A 15 4.293 8.263 3.415 1.00 0.00 C ATOM 265 CG GLN A 15 4.177 9.761 3.644 1.00 0.00 C ATOM 266 CD GLN A 15 3.501 10.099 4.957 1.00 0.00 C ATOM 267 OE1 GLN A 15 4.101 9.989 6.026 1.00 0.00 O ATOM 268 NE2 GLN A 15 2.242 10.518 4.884 1.00 0.00 N ATOM 0 H GLN A 15 5.631 8.121 1.196 1.00 0.00 H new ATOM 0 HA GLN A 15 6.358 8.219 4.046 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.735 7.996 2.518 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.826 7.739 4.249 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.172 10.206 3.627 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.614 10.208 2.824 1.00 0.00 H new ATOM 0 HE21 GLN A 15 1.782 10.595 3.977 1.00 0.00 H new ATOM 0 HE22 GLN A 15 1.736 10.763 5.735 1.00 0.00 H new ATOM 277 N ILE A 16 5.379 5.523 2.404 1.00 0.00 N ATOM 278 CA ILE A 16 5.395 4.062 2.463 1.00 0.00 C ATOM 279 C ILE A 16 4.843 3.435 1.186 1.00 0.00 C ATOM 280 O ILE A 16 4.085 2.466 1.240 1.00 0.00 O ATOM 281 CB ILE A 16 4.584 3.535 3.663 1.00 0.00 C ATOM 282 CG1 ILE A 16 4.743 2.017 3.784 1.00 0.00 C ATOM 283 CG2 ILE A 16 3.117 3.912 3.518 1.00 0.00 C ATOM 284 CD1 ILE A 16 4.859 1.531 5.212 1.00 0.00 C ATOM 0 H ILE A 16 5.034 5.909 1.525 1.00 0.00 H new ATOM 0 HA ILE A 16 6.440 3.776 2.578 1.00 0.00 H new ATOM 0 HB ILE A 16 4.967 3.995 4.574 1.00 0.00 H new ATOM 0 HG12 ILE A 16 3.888 1.532 3.313 1.00 0.00 H new ATOM 0 HG13 ILE A 16 5.630 1.708 3.231 1.00 0.00 H new ATOM 0 HG21 ILE A 16 2.558 3.533 4.373 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.023 4.997 3.475 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.718 3.477 2.602 1.00 0.00 H new ATOM 0 HD11 ILE A 16 4.969 0.447 5.219 1.00 0.00 H new ATOM 0 HD12 ILE A 16 5.730 1.987 5.682 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.962 1.809 5.765 1.00 0.00 H new ATOM 296 N LEU A 17 5.216 3.984 0.037 1.00 0.00 N ATOM 297 CA LEU A 17 4.752 3.448 -1.237 1.00 0.00 C ATOM 298 C LEU A 17 5.932 3.094 -2.132 1.00 0.00 C ATOM 299 O LEU A 17 6.849 3.893 -2.315 1.00 0.00 O ATOM 300 CB LEU A 17 3.826 4.457 -1.927 1.00 0.00 C ATOM 301 CG LEU A 17 3.567 4.248 -3.425 1.00 0.00 C ATOM 302 CD1 LEU A 17 4.607 4.990 -4.255 1.00 0.00 C ATOM 303 CD2 LEU A 17 3.541 2.769 -3.786 1.00 0.00 C ATOM 0 H LEU A 17 5.833 4.793 -0.040 1.00 0.00 H new ATOM 0 HA LEU A 17 4.188 2.534 -1.048 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.866 4.444 -1.411 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.248 5.453 -1.791 1.00 0.00 H new ATOM 0 HG LEU A 17 2.584 4.658 -3.654 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.408 4.831 -5.315 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.557 6.056 -4.033 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.601 4.615 -4.012 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.355 2.658 -4.854 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.501 2.316 -3.536 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.749 2.272 -3.227 1.00 0.00 H new ATOM 315 N THR A 18 5.914 1.881 -2.671 1.00 0.00 N ATOM 316 CA THR A 18 6.975 1.420 -3.554 1.00 0.00 C ATOM 317 C THR A 18 6.422 1.138 -4.947 1.00 0.00 C ATOM 318 O THR A 18 5.318 0.614 -5.091 1.00 0.00 O ATOM 319 CB THR A 18 7.628 0.158 -2.986 1.00 0.00 C ATOM 320 OG1 THR A 18 6.651 -0.707 -2.433 1.00 0.00 O ATOM 321 CG2 THR A 18 8.651 0.445 -1.908 1.00 0.00 C ATOM 0 H THR A 18 5.174 1.198 -2.511 1.00 0.00 H new ATOM 0 HA THR A 18 7.728 2.205 -3.627 1.00 0.00 H new ATOM 0 HB THR A 18 8.136 -0.308 -3.830 1.00 0.00 H new ATOM 0 HG1 THR A 18 6.804 -1.621 -2.753 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.075 -0.493 -1.549 1.00 0.00 H new ATOM 0 HG22 THR A 18 9.446 1.069 -2.317 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.171 0.966 -1.080 1.00 0.00 H new ATOM 329 N PRO A 19 7.182 1.484 -5.998 1.00 0.00 N ATOM 330 CA PRO A 19 6.755 1.262 -7.381 1.00 0.00 C ATOM 331 C PRO A 19 6.225 -0.151 -7.590 1.00 0.00 C ATOM 332 O PRO A 19 5.344 -0.380 -8.418 1.00 0.00 O ATOM 333 CB PRO A 19 8.036 1.483 -8.183 1.00 0.00 C ATOM 334 CG PRO A 19 8.833 2.435 -7.361 1.00 0.00 C ATOM 335 CD PRO A 19 8.514 2.115 -5.923 1.00 0.00 C ATOM 0 HA PRO A 19 5.938 1.921 -7.676 1.00 0.00 H new ATOM 0 HB2 PRO A 19 8.573 0.547 -8.338 1.00 0.00 H new ATOM 0 HB3 PRO A 19 7.821 1.894 -9.169 1.00 0.00 H new ATOM 0 HG2 PRO A 19 9.899 2.322 -7.558 1.00 0.00 H new ATOM 0 HG3 PRO A 19 8.573 3.467 -7.598 1.00 0.00 H new ATOM 0 HD2 PRO A 19 9.253 1.442 -5.488 1.00 0.00 H new ATOM 0 HD3 PRO A 19 8.498 3.013 -5.306 1.00 0.00 H new ATOM 343 N GLU A 20 6.761 -1.093 -6.822 1.00 0.00 N ATOM 344 CA GLU A 20 6.332 -2.481 -6.906 1.00 0.00 C ATOM 345 C GLU A 20 4.951 -2.658 -6.284 1.00 0.00 C ATOM 346 O GLU A 20 4.154 -3.477 -6.738 1.00 0.00 O ATOM 347 CB GLU A 20 7.342 -3.392 -6.203 1.00 0.00 C ATOM 348 CG GLU A 20 8.268 -4.125 -7.159 1.00 0.00 C ATOM 349 CD GLU A 20 7.878 -5.576 -7.350 1.00 0.00 C ATOM 350 OE1 GLU A 20 6.689 -5.840 -7.629 1.00 0.00 O ATOM 351 OE2 GLU A 20 8.761 -6.451 -7.218 1.00 0.00 O ATOM 0 H GLU A 20 7.494 -0.919 -6.134 1.00 0.00 H new ATOM 0 HA GLU A 20 6.276 -2.757 -7.959 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.941 -2.794 -5.516 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.802 -4.123 -5.601 1.00 0.00 H new ATOM 0 HG2 GLU A 20 8.260 -3.620 -8.125 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.289 -4.074 -6.781 1.00 0.00 H new ATOM 358 N ALA A 21 4.673 -1.876 -5.244 1.00 0.00 N ATOM 359 CA ALA A 21 3.387 -1.945 -4.558 1.00 0.00 C ATOM 360 C ALA A 21 2.234 -1.699 -5.525 1.00 0.00 C ATOM 361 O ALA A 21 1.277 -2.470 -5.573 1.00 0.00 O ATOM 362 CB ALA A 21 3.344 -0.941 -3.416 1.00 0.00 C ATOM 0 H ALA A 21 5.320 -1.188 -4.859 1.00 0.00 H new ATOM 0 HA ALA A 21 3.275 -2.949 -4.149 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.379 -1.003 -2.913 1.00 0.00 H new ATOM 0 HB2 ALA A 21 4.139 -1.165 -2.705 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.483 0.065 -3.811 1.00 0.00 H new ATOM 368 N ARG A 22 2.332 -0.621 -6.298 1.00 0.00 N ATOM 369 CA ARG A 22 1.297 -0.281 -7.267 1.00 0.00 C ATOM 370 C ARG A 22 1.217 -1.343 -8.359 1.00 0.00 C ATOM 371 O ARG A 22 0.138 -1.847 -8.675 1.00 0.00 O ATOM 372 CB ARG A 22 1.582 1.089 -7.895 1.00 0.00 C ATOM 373 CG ARG A 22 0.896 2.249 -7.187 1.00 0.00 C ATOM 374 CD ARG A 22 -0.581 1.977 -6.961 1.00 0.00 C ATOM 375 NE ARG A 22 -1.366 3.206 -6.897 1.00 0.00 N ATOM 376 CZ ARG A 22 -2.688 3.230 -6.765 1.00 0.00 C ATOM 377 NH1 ARG A 22 -3.369 2.095 -6.686 1.00 0.00 N ATOM 378 NH2 ARG A 22 -3.332 4.389 -6.712 1.00 0.00 N ATOM 0 H ARG A 22 3.116 0.030 -6.272 1.00 0.00 H new ATOM 0 HA ARG A 22 0.341 -0.240 -6.745 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.658 1.261 -7.894 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.263 1.073 -8.937 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.383 2.429 -6.229 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.012 3.156 -7.780 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.960 1.348 -7.766 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.708 1.419 -6.034 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.872 4.096 -6.957 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -2.878 1.202 -6.727 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -4.384 2.115 -6.585 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.812 5.265 -6.773 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -4.347 4.404 -6.611 1.00 0.00 H new ATOM 392 N SER A 23 2.370 -1.686 -8.923 1.00 0.00 N ATOM 393 CA SER A 23 2.440 -2.691 -9.975 1.00 0.00 C ATOM 394 C SER A 23 2.013 -4.058 -9.452 1.00 0.00 C ATOM 395 O SER A 23 1.502 -4.887 -10.204 1.00 0.00 O ATOM 396 CB SER A 23 3.861 -2.766 -10.539 1.00 0.00 C ATOM 397 OG SER A 23 3.876 -2.478 -11.927 1.00 0.00 O ATOM 0 H SER A 23 3.271 -1.281 -8.668 1.00 0.00 H new ATOM 0 HA SER A 23 1.755 -2.399 -10.771 1.00 0.00 H new ATOM 0 HB2 SER A 23 4.503 -2.060 -10.011 1.00 0.00 H new ATOM 0 HB3 SER A 23 4.272 -3.761 -10.367 1.00 0.00 H new ATOM 0 HG SER A 23 4.795 -2.531 -12.262 1.00 0.00 H new ATOM 403 N ARG A 24 2.232 -4.290 -8.161 1.00 0.00 N ATOM 404 CA ARG A 24 1.856 -5.555 -7.543 1.00 0.00 C ATOM 405 C ARG A 24 0.342 -5.693 -7.488 1.00 0.00 C ATOM 406 O ARG A 24 -0.205 -6.755 -7.776 1.00 0.00 O ATOM 407 CB ARG A 24 2.439 -5.661 -6.134 1.00 0.00 C ATOM 408 CG ARG A 24 2.208 -7.018 -5.490 1.00 0.00 C ATOM 409 CD ARG A 24 1.750 -6.883 -4.046 1.00 0.00 C ATOM 410 NE ARG A 24 1.963 -8.110 -3.285 1.00 0.00 N ATOM 411 CZ ARG A 24 3.164 -8.592 -2.983 1.00 0.00 C ATOM 412 NH1 ARG A 24 4.255 -7.950 -3.379 1.00 0.00 N ATOM 413 NH2 ARG A 24 3.275 -9.714 -2.287 1.00 0.00 N ATOM 0 H ARG A 24 2.666 -3.621 -7.526 1.00 0.00 H new ATOM 0 HA ARG A 24 2.262 -6.363 -8.152 1.00 0.00 H new ATOM 0 HB2 ARG A 24 3.510 -5.464 -6.175 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.996 -4.888 -5.506 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.459 -7.569 -6.060 1.00 0.00 H new ATOM 0 HG3 ARG A 24 3.129 -7.600 -5.527 1.00 0.00 H new ATOM 0 HD2 ARG A 24 2.289 -6.064 -3.570 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.692 -6.623 -4.025 1.00 0.00 H new ATOM 0 HE ARG A 24 1.143 -8.627 -2.967 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.172 -7.086 -3.915 1.00 0.00 H new ATOM 0 HH12 ARG A 24 5.177 -8.320 -3.147 1.00 0.00 H new ATOM 0 HH21 ARG A 24 2.437 -10.210 -1.982 1.00 0.00 H new ATOM 0 HH22 ARG A 24 4.198 -10.082 -2.056 1.00 0.00 H new ATOM 427 N LEU A 25 -0.331 -4.610 -7.121 1.00 0.00 N ATOM 428 CA LEU A 25 -1.787 -4.602 -7.051 1.00 0.00 C ATOM 429 C LEU A 25 -2.378 -4.996 -8.390 1.00 0.00 C ATOM 430 O LEU A 25 -3.158 -5.943 -8.492 1.00 0.00 O ATOM 431 CB LEU A 25 -2.274 -3.201 -6.678 1.00 0.00 C ATOM 432 CG LEU A 25 -3.713 -3.111 -6.163 1.00 0.00 C ATOM 433 CD1 LEU A 25 -3.951 -4.116 -5.051 1.00 0.00 C ATOM 434 CD2 LEU A 25 -4.015 -1.700 -5.680 1.00 0.00 C ATOM 0 H LEU A 25 0.108 -3.725 -6.867 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.107 -5.318 -6.294 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.609 -2.797 -5.915 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.181 -2.559 -7.554 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.387 -3.349 -6.986 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.980 -4.034 -4.701 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.775 -5.124 -5.428 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.269 -3.913 -4.225 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.042 -1.652 -5.317 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.332 -1.438 -4.872 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.888 -0.998 -6.504 1.00 0.00 H new ATOM 446 N ALA A 26 -1.957 -4.283 -9.418 1.00 0.00 N ATOM 447 CA ALA A 26 -2.403 -4.562 -10.775 1.00 0.00 C ATOM 448 C ALA A 26 -2.107 -6.011 -11.138 1.00 0.00 C ATOM 449 O ALA A 26 -2.866 -6.657 -11.860 1.00 0.00 O ATOM 450 CB ALA A 26 -1.713 -3.626 -11.752 1.00 0.00 C ATOM 0 H ALA A 26 -1.304 -3.503 -9.341 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.479 -4.400 -10.832 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.053 -3.842 -12.765 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.956 -2.594 -11.500 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.634 -3.769 -11.693 1.00 0.00 H new ATOM 456 N ASN A 27 -0.977 -6.496 -10.643 1.00 0.00 N ATOM 457 CA ASN A 27 -0.538 -7.861 -10.893 1.00 0.00 C ATOM 458 C ASN A 27 -1.369 -8.870 -10.111 1.00 0.00 C ATOM 459 O ASN A 27 -1.885 -9.835 -10.668 1.00 0.00 O ATOM 460 CB ASN A 27 0.926 -8.000 -10.492 1.00 0.00 C ATOM 461 CG ASN A 27 1.476 -9.387 -10.759 1.00 0.00 C ATOM 462 OD1 ASN A 27 1.477 -10.247 -9.878 1.00 0.00 O ATOM 463 ND2 ASN A 27 1.946 -9.613 -11.981 1.00 0.00 N ATOM 0 H ASN A 27 -0.340 -5.955 -10.058 1.00 0.00 H new ATOM 0 HA ASN A 27 -0.665 -8.067 -11.956 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.519 -7.267 -11.038 1.00 0.00 H new ATOM 0 HB3 ASN A 27 1.032 -7.769 -9.432 1.00 0.00 H new ATOM 0 HD21 ASN A 27 2.327 -10.529 -12.220 1.00 0.00 H new ATOM 0 HD22 ASN A 27 1.926 -8.871 -12.681 1.00 0.00 H new ATOM 470 N LEU A 28 -1.526 -8.613 -8.820 1.00 0.00 N ATOM 471 CA LEU A 28 -2.240 -9.520 -7.935 1.00 0.00 C ATOM 472 C LEU A 28 -3.600 -9.913 -8.500 1.00 0.00 C ATOM 473 O LEU A 28 -4.160 -10.945 -8.128 1.00 0.00 O ATOM 474 CB LEU A 28 -2.406 -8.874 -6.566 1.00 0.00 C ATOM 475 CG LEU A 28 -1.487 -9.423 -5.473 1.00 0.00 C ATOM 476 CD1 LEU A 28 -2.005 -10.760 -4.967 1.00 0.00 C ATOM 477 CD2 LEU A 28 -0.062 -9.560 -5.990 1.00 0.00 C ATOM 0 H LEU A 28 -1.165 -7.777 -8.360 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.651 -10.432 -7.842 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.229 -7.803 -6.663 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.440 -8.999 -6.246 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.481 -8.719 -4.641 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.340 -11.137 -4.190 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.006 -10.630 -4.556 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.040 -11.472 -5.791 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.576 -9.952 -5.198 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.047 -10.243 -6.839 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.307 -8.583 -6.303 1.00 0.00 H new ATOM 489 N ARG A 29 -4.150 -9.064 -9.353 1.00 0.00 N ATOM 490 CA ARG A 29 -5.445 -9.338 -9.973 1.00 0.00 C ATOM 491 C ARG A 29 -5.442 -10.727 -10.602 1.00 0.00 C ATOM 492 O ARG A 29 -6.479 -11.385 -10.703 1.00 0.00 O ATOM 493 CB ARG A 29 -5.762 -8.293 -11.053 1.00 0.00 C ATOM 494 CG ARG A 29 -5.504 -6.850 -10.635 1.00 0.00 C ATOM 495 CD ARG A 29 -6.357 -6.448 -9.448 1.00 0.00 C ATOM 496 NE ARG A 29 -7.084 -5.206 -9.691 1.00 0.00 N ATOM 497 CZ ARG A 29 -8.224 -5.142 -10.371 1.00 0.00 C ATOM 498 NH1 ARG A 29 -8.763 -6.245 -10.874 1.00 0.00 N ATOM 499 NH2 ARG A 29 -8.827 -3.973 -10.550 1.00 0.00 N ATOM 0 H ARG A 29 -3.725 -8.181 -9.634 1.00 0.00 H new ATOM 0 HA ARG A 29 -6.209 -9.290 -9.197 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.166 -8.513 -11.939 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.809 -8.393 -11.340 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.450 -6.727 -10.384 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.712 -6.186 -11.474 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.066 -7.245 -9.225 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.723 -6.331 -8.569 1.00 0.00 H new ATOM 0 HE ARG A 29 -6.696 -4.339 -9.318 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -8.302 -7.145 -10.739 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -9.638 -6.193 -11.395 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -8.415 -3.123 -10.165 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -9.702 -3.925 -11.072 1.00 0.00 H new ATOM 513 N LEU A 30 -4.261 -11.157 -11.022 1.00 0.00 N ATOM 514 CA LEU A 30 -4.080 -12.441 -11.676 1.00 0.00 C ATOM 515 C LEU A 30 -4.080 -13.600 -10.678 1.00 0.00 C ATOM 516 O LEU A 30 -4.270 -14.755 -11.062 1.00 0.00 O ATOM 517 CB LEU A 30 -2.754 -12.401 -12.442 1.00 0.00 C ATOM 518 CG LEU A 30 -1.505 -12.704 -11.614 1.00 0.00 C ATOM 519 CD1 LEU A 30 -0.998 -14.105 -11.912 1.00 0.00 C ATOM 520 CD2 LEU A 30 -0.434 -11.678 -11.906 1.00 0.00 C ATOM 0 H LEU A 30 -3.399 -10.622 -10.917 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.915 -12.613 -12.355 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.807 -13.117 -13.262 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.642 -11.413 -12.888 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.761 -12.653 -10.556 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.109 -14.305 -11.314 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.772 -14.832 -11.665 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.750 -14.185 -12.970 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.453 -11.899 -11.313 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.179 -11.709 -12.965 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.803 -10.685 -11.650 1.00 0.00 H new ATOM 532 N THR A 31 -3.822 -13.297 -9.409 1.00 0.00 N ATOM 533 CA THR A 31 -3.736 -14.334 -8.386 1.00 0.00 C ATOM 534 C THR A 31 -5.058 -14.522 -7.646 1.00 0.00 C ATOM 535 O THR A 31 -5.849 -15.400 -7.990 1.00 0.00 O ATOM 536 CB THR A 31 -2.622 -14.000 -7.392 1.00 0.00 C ATOM 537 OG1 THR A 31 -2.920 -12.808 -6.687 1.00 0.00 O ATOM 538 CG2 THR A 31 -1.269 -13.823 -8.045 1.00 0.00 C ATOM 0 H THR A 31 -3.670 -12.348 -9.066 1.00 0.00 H new ATOM 0 HA THR A 31 -3.507 -15.273 -8.891 1.00 0.00 H new ATOM 0 HB THR A 31 -2.571 -14.855 -6.718 1.00 0.00 H new ATOM 0 HG1 THR A 31 -3.069 -12.079 -7.325 1.00 0.00 H new ATOM 0 HG21 THR A 31 -0.525 -13.588 -7.283 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.988 -14.744 -8.555 1.00 0.00 H new ATOM 0 HG23 THR A 31 -1.318 -13.009 -8.768 1.00 0.00 H new ATOM 546 N ARG A 32 -5.276 -13.725 -6.602 1.00 0.00 N ATOM 547 CA ARG A 32 -6.486 -13.845 -5.795 1.00 0.00 C ATOM 548 C ARG A 32 -7.253 -12.526 -5.732 1.00 0.00 C ATOM 549 O ARG A 32 -6.666 -11.473 -5.483 1.00 0.00 O ATOM 550 CB ARG A 32 -6.135 -14.294 -4.373 1.00 0.00 C ATOM 551 CG ARG A 32 -4.933 -15.220 -4.296 1.00 0.00 C ATOM 552 CD ARG A 32 -4.815 -15.866 -2.924 1.00 0.00 C ATOM 553 NE ARG A 32 -4.533 -17.295 -3.017 1.00 0.00 N ATOM 554 CZ ARG A 32 -5.456 -18.211 -3.293 1.00 0.00 C ATOM 555 NH1 ARG A 32 -6.714 -17.845 -3.500 1.00 0.00 N ATOM 556 NH2 ARG A 32 -5.122 -19.492 -3.361 1.00 0.00 N ATOM 0 H ARG A 32 -4.634 -12.993 -6.297 1.00 0.00 H new ATOM 0 HA ARG A 32 -7.122 -14.591 -6.271 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -5.941 -13.412 -3.762 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.998 -14.799 -3.939 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -5.020 -15.995 -5.058 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.025 -14.658 -4.514 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -4.022 -15.376 -2.359 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -5.742 -15.714 -2.370 1.00 0.00 H new ATOM 0 HE ARG A 32 -3.575 -17.608 -2.862 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -6.974 -16.860 -3.447 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.422 -18.549 -3.712 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -4.155 -19.776 -3.201 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -5.832 -20.193 -3.573 1.00 0.00 H new ATOM 570 N PRO A 33 -8.582 -12.566 -5.939 1.00 0.00 N ATOM 571 CA PRO A 33 -9.425 -11.372 -5.860 1.00 0.00 C ATOM 572 C PRO A 33 -9.561 -10.872 -4.426 1.00 0.00 C ATOM 573 O PRO A 33 -9.829 -9.694 -4.189 1.00 0.00 O ATOM 574 CB PRO A 33 -10.775 -11.853 -6.392 1.00 0.00 C ATOM 575 CG PRO A 33 -10.795 -13.312 -6.092 1.00 0.00 C ATOM 576 CD PRO A 33 -9.372 -13.781 -6.219 1.00 0.00 C ATOM 0 HA PRO A 33 -9.011 -10.535 -6.422 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -11.601 -11.336 -5.904 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -10.870 -11.666 -7.462 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -11.179 -13.499 -5.089 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -11.445 -13.844 -6.787 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -9.147 -14.578 -5.510 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -9.166 -14.173 -7.215 1.00 0.00 H new ATOM 584 N ASP A 34 -9.371 -11.780 -3.470 1.00 0.00 N ATOM 585 CA ASP A 34 -9.458 -11.435 -2.055 1.00 0.00 C ATOM 586 C ASP A 34 -8.578 -10.238 -1.749 1.00 0.00 C ATOM 587 O ASP A 34 -9.052 -9.215 -1.254 1.00 0.00 O ATOM 588 CB ASP A 34 -9.036 -12.628 -1.197 1.00 0.00 C ATOM 589 CG ASP A 34 -9.799 -13.891 -1.546 1.00 0.00 C ATOM 590 OD1 ASP A 34 -11.038 -13.897 -1.392 1.00 0.00 O ATOM 591 OD2 ASP A 34 -9.157 -14.874 -1.973 1.00 0.00 O ATOM 0 H ASP A 34 -9.156 -12.760 -3.651 1.00 0.00 H new ATOM 0 HA ASP A 34 -10.491 -11.178 -1.822 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -7.968 -12.805 -1.326 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -9.195 -12.390 -0.145 1.00 0.00 H new ATOM 596 N PHE A 35 -7.312 -10.340 -2.118 1.00 0.00 N ATOM 597 CA PHE A 35 -6.373 -9.258 -1.893 1.00 0.00 C ATOM 598 C PHE A 35 -6.878 -7.981 -2.559 1.00 0.00 C ATOM 599 O PHE A 35 -7.111 -6.978 -1.895 1.00 0.00 O ATOM 600 CB PHE A 35 -4.986 -9.661 -2.437 1.00 0.00 C ATOM 601 CG PHE A 35 -4.085 -8.517 -2.828 1.00 0.00 C ATOM 602 CD1 PHE A 35 -3.227 -7.937 -1.905 1.00 0.00 C ATOM 603 CD2 PHE A 35 -4.078 -8.045 -4.126 1.00 0.00 C ATOM 604 CE1 PHE A 35 -2.397 -6.893 -2.271 1.00 0.00 C ATOM 605 CE2 PHE A 35 -3.251 -7.006 -4.499 1.00 0.00 C ATOM 606 CZ PHE A 35 -2.405 -6.432 -3.573 1.00 0.00 C ATOM 0 H PHE A 35 -6.913 -11.160 -2.574 1.00 0.00 H new ATOM 0 HA PHE A 35 -6.283 -9.065 -0.824 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.478 -10.259 -1.680 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -5.128 -10.302 -3.307 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -3.207 -8.305 -0.890 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -4.730 -8.496 -4.860 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.744 -6.439 -1.540 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -3.266 -6.642 -5.516 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.751 -5.624 -3.865 1.00 0.00 H new ATOM 616 N VAL A 36 -7.137 -8.061 -3.853 1.00 0.00 N ATOM 617 CA VAL A 36 -7.566 -6.894 -4.612 1.00 0.00 C ATOM 618 C VAL A 36 -8.819 -6.244 -4.030 1.00 0.00 C ATOM 619 O VAL A 36 -8.833 -5.046 -3.778 1.00 0.00 O ATOM 620 CB VAL A 36 -7.835 -7.222 -6.092 1.00 0.00 C ATOM 621 CG1 VAL A 36 -8.134 -5.939 -6.850 1.00 0.00 C ATOM 622 CG2 VAL A 36 -6.660 -7.956 -6.726 1.00 0.00 C ATOM 0 H VAL A 36 -7.059 -8.918 -4.401 1.00 0.00 H new ATOM 0 HA VAL A 36 -6.733 -6.195 -4.542 1.00 0.00 H new ATOM 0 HB VAL A 36 -8.698 -7.885 -6.146 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -8.324 -6.171 -7.898 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -9.012 -5.458 -6.419 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -7.280 -5.266 -6.777 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -6.886 -8.171 -7.770 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -5.768 -7.333 -6.669 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -6.484 -8.891 -6.193 1.00 0.00 H new ATOM 632 N GLU A 37 -9.887 -7.016 -3.869 1.00 0.00 N ATOM 633 CA GLU A 37 -11.147 -6.461 -3.381 1.00 0.00 C ATOM 634 C GLU A 37 -10.961 -5.733 -2.052 1.00 0.00 C ATOM 635 O GLU A 37 -11.295 -4.552 -1.924 1.00 0.00 O ATOM 636 CB GLU A 37 -12.188 -7.570 -3.223 1.00 0.00 C ATOM 637 CG GLU A 37 -12.481 -8.317 -4.512 1.00 0.00 C ATOM 638 CD GLU A 37 -13.751 -7.836 -5.189 1.00 0.00 C ATOM 639 OE1 GLU A 37 -14.096 -6.647 -5.026 1.00 0.00 O ATOM 640 OE2 GLU A 37 -14.399 -8.648 -5.882 1.00 0.00 O ATOM 0 H GLU A 37 -9.909 -8.017 -4.066 1.00 0.00 H new ATOM 0 HA GLU A 37 -11.497 -5.738 -4.118 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.839 -8.280 -2.473 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -13.114 -7.136 -2.846 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -11.641 -8.197 -5.196 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.568 -9.382 -4.298 1.00 0.00 H new ATOM 647 N GLN A 38 -10.375 -6.425 -1.084 1.00 0.00 N ATOM 648 CA GLN A 38 -10.143 -5.851 0.236 1.00 0.00 C ATOM 649 C GLN A 38 -9.081 -4.760 0.173 1.00 0.00 C ATOM 650 O GLN A 38 -9.270 -3.653 0.683 1.00 0.00 O ATOM 651 CB GLN A 38 -9.708 -6.950 1.211 1.00 0.00 C ATOM 652 CG GLN A 38 -9.273 -6.431 2.572 1.00 0.00 C ATOM 653 CD GLN A 38 -10.238 -6.812 3.677 1.00 0.00 C ATOM 654 OE1 GLN A 38 -10.429 -7.992 3.971 1.00 0.00 O ATOM 655 NE2 GLN A 38 -10.852 -5.811 4.296 1.00 0.00 N ATOM 0 H GLN A 38 -10.051 -7.387 -1.188 1.00 0.00 H new ATOM 0 HA GLN A 38 -11.073 -5.404 0.587 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.533 -7.649 1.347 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.885 -7.511 0.767 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -8.284 -6.824 2.807 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -9.184 -5.345 2.531 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -10.663 -4.848 4.019 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -11.513 -6.005 5.049 1.00 0.00 H new ATOM 664 N ILE A 39 -7.967 -5.085 -0.467 1.00 0.00 N ATOM 665 CA ILE A 39 -6.855 -4.157 -0.594 1.00 0.00 C ATOM 666 C ILE A 39 -7.247 -2.916 -1.390 1.00 0.00 C ATOM 667 O ILE A 39 -7.032 -1.798 -0.938 1.00 0.00 O ATOM 668 CB ILE A 39 -5.631 -4.850 -1.250 1.00 0.00 C ATOM 669 CG1 ILE A 39 -5.102 -6.033 -0.395 1.00 0.00 C ATOM 670 CG2 ILE A 39 -4.517 -3.850 -1.502 1.00 0.00 C ATOM 671 CD1 ILE A 39 -5.816 -6.265 0.925 1.00 0.00 C ATOM 0 H ILE A 39 -7.810 -5.991 -0.909 1.00 0.00 H new ATOM 0 HA ILE A 39 -6.581 -3.839 0.412 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.969 -5.255 -2.204 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.170 -6.945 -0.989 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.045 -5.864 -0.190 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.669 -4.358 -1.962 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.876 -3.066 -2.169 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.205 -3.407 -0.556 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.365 -7.114 1.438 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.727 -5.375 1.548 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.870 -6.472 0.737 1.00 0.00 H new ATOM 683 N GLU A 40 -7.844 -3.112 -2.558 1.00 0.00 N ATOM 684 CA GLU A 40 -8.234 -1.990 -3.404 1.00 0.00 C ATOM 685 C GLU A 40 -9.075 -0.984 -2.629 1.00 0.00 C ATOM 686 O GLU A 40 -8.800 0.215 -2.656 1.00 0.00 O ATOM 687 CB GLU A 40 -9.014 -2.478 -4.627 1.00 0.00 C ATOM 688 CG GLU A 40 -8.148 -3.169 -5.667 1.00 0.00 C ATOM 689 CD GLU A 40 -7.190 -2.215 -6.353 1.00 0.00 C ATOM 690 OE1 GLU A 40 -7.137 -1.034 -5.951 1.00 0.00 O ATOM 691 OE2 GLU A 40 -6.496 -2.648 -7.298 1.00 0.00 O ATOM 0 H GLU A 40 -8.068 -4.031 -2.940 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.320 -1.498 -3.737 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.793 -3.167 -4.299 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.515 -1.628 -5.091 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.580 -3.968 -5.189 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.788 -3.636 -6.415 1.00 0.00 H new ATOM 698 N LEU A 41 -10.101 -1.468 -1.934 1.00 0.00 N ATOM 699 CA LEU A 41 -10.969 -0.586 -1.162 1.00 0.00 C ATOM 700 C LEU A 41 -10.157 0.288 -0.209 1.00 0.00 C ATOM 701 O LEU A 41 -10.261 1.518 -0.235 1.00 0.00 O ATOM 702 CB LEU A 41 -11.995 -1.401 -0.379 1.00 0.00 C ATOM 703 CG LEU A 41 -13.284 -1.750 -1.137 1.00 0.00 C ATOM 704 CD1 LEU A 41 -14.282 -0.608 -1.038 1.00 0.00 C ATOM 705 CD2 LEU A 41 -12.993 -2.081 -2.595 1.00 0.00 C ATOM 0 H LEU A 41 -10.350 -2.456 -1.890 1.00 0.00 H new ATOM 0 HA LEU A 41 -11.492 0.066 -1.862 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -11.524 -2.328 -0.054 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -12.263 -0.847 0.521 1.00 0.00 H new ATOM 0 HG LEU A 41 -13.719 -2.636 -0.674 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -15.190 -0.871 -1.580 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -14.524 -0.426 0.009 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -13.848 0.293 -1.472 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -13.925 -2.324 -3.106 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -12.528 -1.221 -3.077 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -12.318 -2.935 -2.646 1.00 0.00 H new ATOM 717 N GLN A 42 -9.319 -0.347 0.604 1.00 0.00 N ATOM 718 CA GLN A 42 -8.497 0.375 1.572 1.00 0.00 C ATOM 719 C GLN A 42 -7.370 1.140 0.881 1.00 0.00 C ATOM 720 O GLN A 42 -6.964 2.211 1.332 1.00 0.00 O ATOM 721 CB GLN A 42 -7.913 -0.599 2.596 1.00 0.00 C ATOM 722 CG GLN A 42 -8.467 -0.412 3.999 1.00 0.00 C ATOM 723 CD GLN A 42 -7.406 -0.564 5.070 1.00 0.00 C ATOM 724 OE1 GLN A 42 -6.378 0.113 5.042 1.00 0.00 O ATOM 725 NE2 GLN A 42 -7.650 -1.456 6.022 1.00 0.00 N ATOM 0 H GLN A 42 -9.190 -1.359 0.613 1.00 0.00 H new ATOM 0 HA GLN A 42 -9.135 1.097 2.082 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -8.112 -1.620 2.269 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.830 -0.478 2.623 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -8.919 0.577 4.078 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -9.260 -1.140 4.172 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -8.516 -1.995 6.006 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -6.972 -1.602 6.770 1.00 0.00 H new ATOM 734 N LEU A 43 -6.859 0.571 -0.202 1.00 0.00 N ATOM 735 CA LEU A 43 -5.763 1.176 -0.949 1.00 0.00 C ATOM 736 C LEU A 43 -6.230 2.405 -1.721 1.00 0.00 C ATOM 737 O LEU A 43 -5.626 3.473 -1.630 1.00 0.00 O ATOM 738 CB LEU A 43 -5.165 0.149 -1.916 1.00 0.00 C ATOM 739 CG LEU A 43 -3.733 0.432 -2.364 1.00 0.00 C ATOM 740 CD1 LEU A 43 -3.609 1.857 -2.882 1.00 0.00 C ATOM 741 CD2 LEU A 43 -2.763 0.183 -1.219 1.00 0.00 C ATOM 0 H LEU A 43 -7.188 -0.315 -0.586 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.002 1.494 -0.237 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.193 -0.832 -1.441 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.801 0.093 -2.800 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.481 -0.247 -3.179 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.582 2.042 -3.197 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.279 1.995 -3.730 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.877 2.557 -2.090 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.746 0.389 -1.553 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.010 0.838 -0.384 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.837 -0.856 -0.899 1.00 0.00 H new ATOM 753 N ILE A 44 -7.303 2.245 -2.487 1.00 0.00 N ATOM 754 CA ILE A 44 -7.841 3.338 -3.289 1.00 0.00 C ATOM 755 C ILE A 44 -8.191 4.542 -2.423 1.00 0.00 C ATOM 756 O ILE A 44 -7.908 5.685 -2.782 1.00 0.00 O ATOM 757 CB ILE A 44 -9.099 2.900 -4.072 1.00 0.00 C ATOM 758 CG1 ILE A 44 -9.435 3.929 -5.153 1.00 0.00 C ATOM 759 CG2 ILE A 44 -10.289 2.708 -3.134 1.00 0.00 C ATOM 760 CD1 ILE A 44 -10.742 3.652 -5.864 1.00 0.00 C ATOM 0 H ILE A 44 -7.818 1.368 -2.570 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.060 3.619 -3.996 1.00 0.00 H new ATOM 0 HB ILE A 44 -8.886 1.943 -4.549 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -9.480 4.919 -4.700 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -8.629 3.950 -5.886 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -11.161 2.400 -3.711 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -10.052 1.940 -2.397 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -10.505 3.646 -2.623 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -10.917 4.421 -6.617 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -10.694 2.676 -6.347 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -11.558 3.660 -5.141 1.00 0.00 H new ATOM 772 N GLN A 45 -8.840 4.276 -1.297 1.00 0.00 N ATOM 773 CA GLN A 45 -9.295 5.320 -0.413 1.00 0.00 C ATOM 774 C GLN A 45 -8.136 6.051 0.263 1.00 0.00 C ATOM 775 O GLN A 45 -8.184 7.267 0.447 1.00 0.00 O ATOM 776 CB GLN A 45 -10.212 4.701 0.627 1.00 0.00 C ATOM 777 CG GLN A 45 -11.644 5.175 0.500 1.00 0.00 C ATOM 778 CD GLN A 45 -12.413 5.089 1.804 1.00 0.00 C ATOM 779 OE1 GLN A 45 -12.880 6.098 2.331 1.00 0.00 O ATOM 780 NE2 GLN A 45 -12.550 3.878 2.331 1.00 0.00 N ATOM 0 H GLN A 45 -9.061 3.332 -0.979 1.00 0.00 H new ATOM 0 HA GLN A 45 -9.832 6.066 -1.000 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -10.183 3.616 0.531 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -9.841 4.943 1.623 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -11.650 6.207 0.148 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -12.153 4.577 -0.256 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -12.146 3.068 1.860 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -13.059 3.757 3.207 1.00 0.00 H new ATOM 789 N LEU A 46 -7.108 5.304 0.654 1.00 0.00 N ATOM 790 CA LEU A 46 -5.961 5.889 1.346 1.00 0.00 C ATOM 791 C LEU A 46 -5.106 6.754 0.419 1.00 0.00 C ATOM 792 O LEU A 46 -4.834 7.916 0.722 1.00 0.00 O ATOM 793 CB LEU A 46 -5.101 4.784 1.964 1.00 0.00 C ATOM 794 CG LEU A 46 -5.437 4.442 3.418 1.00 0.00 C ATOM 795 CD1 LEU A 46 -6.906 4.075 3.553 1.00 0.00 C ATOM 796 CD2 LEU A 46 -4.554 3.310 3.919 1.00 0.00 C ATOM 0 H LEU A 46 -7.044 4.297 0.505 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.352 6.536 2.131 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -5.205 3.882 1.361 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.055 5.085 1.909 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.245 5.322 4.032 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -7.127 3.835 4.593 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -7.522 4.917 3.236 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.124 3.210 2.927 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.808 3.081 4.954 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.712 2.425 3.303 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.508 3.611 3.860 1.00 0.00 H new ATOM 808 N ALA A 47 -4.683 6.185 -0.706 1.00 0.00 N ATOM 809 CA ALA A 47 -3.826 6.900 -1.646 1.00 0.00 C ATOM 810 C ALA A 47 -4.592 7.968 -2.423 1.00 0.00 C ATOM 811 O ALA A 47 -4.184 9.128 -2.464 1.00 0.00 O ATOM 812 CB ALA A 47 -3.171 5.919 -2.607 1.00 0.00 C ATOM 0 H ALA A 47 -4.919 5.234 -0.988 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.056 7.409 -1.066 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.534 6.463 -3.304 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.568 5.206 -2.044 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.942 5.384 -3.162 1.00 0.00 H new ATOM 818 N GLN A 48 -5.691 7.568 -3.054 1.00 0.00 N ATOM 819 CA GLN A 48 -6.485 8.491 -3.858 1.00 0.00 C ATOM 820 C GLN A 48 -7.279 9.458 -2.984 1.00 0.00 C ATOM 821 O GLN A 48 -7.432 10.631 -3.324 1.00 0.00 O ATOM 822 CB GLN A 48 -7.436 7.716 -4.773 1.00 0.00 C ATOM 823 CG GLN A 48 -6.772 6.555 -5.494 1.00 0.00 C ATOM 824 CD GLN A 48 -7.582 6.062 -6.677 1.00 0.00 C ATOM 825 OE1 GLN A 48 -8.787 6.302 -6.762 1.00 0.00 O ATOM 826 NE2 GLN A 48 -6.924 5.368 -7.598 1.00 0.00 N ATOM 0 H GLN A 48 -6.052 6.614 -3.025 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.794 9.075 -4.466 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -8.269 7.337 -4.181 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -7.855 8.400 -5.511 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -5.785 6.863 -5.838 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -6.624 5.734 -4.793 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -5.925 5.192 -7.487 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -7.417 5.010 -8.416 1.00 0.00 H new ATOM 899 N ARG A 53 -2.669 9.573 4.560 1.00 0.00 N ATOM 900 CA ARG A 53 -2.397 8.140 4.522 1.00 0.00 C ATOM 901 C ARG A 53 -1.780 7.742 3.184 1.00 0.00 C ATOM 902 O ARG A 53 -2.082 8.337 2.151 1.00 0.00 O ATOM 903 CB ARG A 53 -3.684 7.349 4.760 1.00 0.00 C ATOM 904 CG ARG A 53 -3.594 6.380 5.927 1.00 0.00 C ATOM 905 CD ARG A 53 -4.312 6.915 7.156 1.00 0.00 C ATOM 906 NE ARG A 53 -5.740 7.105 6.915 1.00 0.00 N ATOM 907 CZ ARG A 53 -6.616 7.384 7.874 1.00 0.00 C ATOM 908 NH1 ARG A 53 -6.210 7.507 9.131 1.00 0.00 N ATOM 909 NH2 ARG A 53 -7.899 7.542 7.579 1.00 0.00 N ATOM 0 HA ARG A 53 -1.686 7.907 5.315 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -4.502 8.047 4.940 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -3.932 6.794 3.855 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -4.028 5.422 5.640 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.547 6.196 6.168 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.173 6.223 7.987 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.865 7.864 7.453 1.00 0.00 H new ATOM 0 HE ARG A 53 -6.083 7.019 5.958 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.224 7.387 9.362 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.884 7.721 9.866 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -8.216 7.449 6.614 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -8.569 7.756 8.317 1.00 0.00 H new ATOM 923 N SER A 54 -0.908 6.739 3.211 1.00 0.00 N ATOM 924 CA SER A 54 -0.240 6.280 1.999 1.00 0.00 C ATOM 925 C SER A 54 -0.550 4.808 1.717 1.00 0.00 C ATOM 926 O SER A 54 -0.772 4.023 2.638 1.00 0.00 O ATOM 927 CB SER A 54 1.274 6.495 2.119 1.00 0.00 C ATOM 928 OG SER A 54 1.640 6.826 3.448 1.00 0.00 O ATOM 0 H SER A 54 -0.648 6.230 4.056 1.00 0.00 H new ATOM 0 HA SER A 54 -0.617 6.866 1.161 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.798 5.591 1.809 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.586 7.292 1.444 1.00 0.00 H new ATOM 0 HG SER A 54 1.614 7.799 3.562 1.00 0.00 H new ATOM 934 N LYS A 55 -0.554 4.440 0.434 1.00 0.00 N ATOM 935 CA LYS A 55 -0.852 3.077 0.020 1.00 0.00 C ATOM 936 C LYS A 55 0.131 2.077 0.625 1.00 0.00 C ATOM 937 O LYS A 55 1.297 2.391 0.859 1.00 0.00 O ATOM 938 CB LYS A 55 -0.865 2.978 -1.508 1.00 0.00 C ATOM 939 CG LYS A 55 0.502 2.813 -2.145 1.00 0.00 C ATOM 940 CD LYS A 55 0.370 2.459 -3.614 1.00 0.00 C ATOM 941 CE LYS A 55 0.902 1.063 -3.902 1.00 0.00 C ATOM 942 NZ LYS A 55 -0.197 0.068 -4.044 1.00 0.00 N ATOM 0 H LYS A 55 -0.352 5.076 -0.337 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.843 2.821 0.394 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.490 2.134 -1.798 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.333 3.875 -1.913 1.00 0.00 H new ATOM 0 HG2 LYS A 55 1.072 3.736 -2.038 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.059 2.032 -1.626 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -0.677 2.519 -3.911 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.914 3.188 -4.215 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.495 1.082 -4.816 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.569 0.755 -3.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.007 -0.545 -4.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.254 -0.512 -3.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.099 0.565 -4.186 1.00 0.00 H new ATOM 956 N ILE A 56 -0.377 0.887 0.919 1.00 0.00 N ATOM 957 CA ILE A 56 0.413 -0.168 1.539 1.00 0.00 C ATOM 958 C ILE A 56 1.550 -0.634 0.632 1.00 0.00 C ATOM 959 O ILE A 56 1.397 -0.713 -0.587 1.00 0.00 O ATOM 960 CB ILE A 56 -0.473 -1.381 1.881 1.00 0.00 C ATOM 961 CG1 ILE A 56 -1.655 -0.948 2.751 1.00 0.00 C ATOM 962 CG2 ILE A 56 0.342 -2.454 2.580 1.00 0.00 C ATOM 963 CD1 ILE A 56 -2.907 -1.766 2.516 1.00 0.00 C ATOM 0 H ILE A 56 -1.346 0.627 0.735 1.00 0.00 H new ATOM 0 HA ILE A 56 0.839 0.253 2.450 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.863 -1.799 0.953 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.371 -1.025 3.801 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.874 0.102 2.556 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.300 -3.303 2.814 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.151 -2.780 1.926 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.760 -2.050 3.502 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.705 -1.405 3.165 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -3.215 -1.669 1.475 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.704 -2.814 2.738 1.00 0.00 H new ATOM 975 N THR A 57 2.692 -0.937 1.244 1.00 0.00 N ATOM 976 CA THR A 57 3.864 -1.399 0.507 1.00 0.00 C ATOM 977 C THR A 57 3.723 -2.866 0.117 1.00 0.00 C ATOM 978 O THR A 57 2.914 -3.597 0.689 1.00 0.00 O ATOM 979 CB THR A 57 5.126 -1.205 1.349 1.00 0.00 C ATOM 980 OG1 THR A 57 4.787 -0.880 2.687 1.00 0.00 O ATOM 981 CG2 THR A 57 6.033 -0.113 0.828 1.00 0.00 C ATOM 0 H THR A 57 2.830 -0.870 2.252 1.00 0.00 H new ATOM 0 HA THR A 57 3.944 -0.807 -0.405 1.00 0.00 H new ATOM 0 HB THR A 57 5.660 -2.153 1.293 1.00 0.00 H new ATOM 0 HG1 THR A 57 4.365 -1.654 3.115 1.00 0.00 H new ATOM 0 HG21 THR A 57 6.908 -0.029 1.472 1.00 0.00 H new ATOM 0 HG22 THR A 57 6.350 -0.357 -0.186 1.00 0.00 H new ATOM 0 HG23 THR A 57 5.495 0.835 0.822 1.00 0.00 H new ATOM 989 N ASP A 58 4.519 -3.293 -0.859 1.00 0.00 N ATOM 990 CA ASP A 58 4.488 -4.675 -1.323 1.00 0.00 C ATOM 991 C ASP A 58 4.702 -5.639 -0.162 1.00 0.00 C ATOM 992 O ASP A 58 4.159 -6.744 -0.149 1.00 0.00 O ATOM 993 CB ASP A 58 5.560 -4.901 -2.391 1.00 0.00 C ATOM 994 CG ASP A 58 6.901 -4.313 -1.997 1.00 0.00 C ATOM 995 OD1 ASP A 58 7.120 -3.111 -2.255 1.00 0.00 O ATOM 996 OD2 ASP A 58 7.730 -5.055 -1.430 1.00 0.00 O ATOM 0 H ASP A 58 5.194 -2.701 -1.344 1.00 0.00 H new ATOM 0 HA ASP A 58 3.507 -4.866 -1.758 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.673 -5.971 -2.568 1.00 0.00 H new ATOM 0 HB3 ASP A 58 5.233 -4.455 -3.330 1.00 0.00 H new ATOM 1001 N GLU A 59 5.500 -5.213 0.812 1.00 0.00 N ATOM 1002 CA GLU A 59 5.780 -6.031 1.986 1.00 0.00 C ATOM 1003 C GLU A 59 4.515 -6.220 2.815 1.00 0.00 C ATOM 1004 O GLU A 59 4.109 -7.349 3.106 1.00 0.00 O ATOM 1005 CB GLU A 59 6.873 -5.368 2.830 1.00 0.00 C ATOM 1006 CG GLU A 59 7.068 -6.004 4.197 1.00 0.00 C ATOM 1007 CD GLU A 59 8.467 -6.557 4.387 1.00 0.00 C ATOM 1008 OE1 GLU A 59 9.437 -5.861 4.021 1.00 0.00 O ATOM 1009 OE2 GLU A 59 8.593 -7.688 4.902 1.00 0.00 O ATOM 0 H GLU A 59 5.964 -4.305 0.811 1.00 0.00 H new ATOM 0 HA GLU A 59 6.128 -7.011 1.660 1.00 0.00 H new ATOM 0 HB2 GLU A 59 7.815 -5.409 2.283 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.627 -4.314 2.962 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.866 -5.263 4.971 1.00 0.00 H new ATOM 0 HG3 GLU A 59 6.343 -6.807 4.327 1.00 0.00 H new ATOM 1016 N GLN A 60 3.876 -5.109 3.164 1.00 0.00 N ATOM 1017 CA GLN A 60 2.638 -5.154 3.925 1.00 0.00 C ATOM 1018 C GLN A 60 1.533 -5.769 3.078 1.00 0.00 C ATOM 1019 O GLN A 60 0.752 -6.591 3.556 1.00 0.00 O ATOM 1020 CB GLN A 60 2.239 -3.749 4.379 1.00 0.00 C ATOM 1021 CG GLN A 60 2.892 -3.322 5.684 1.00 0.00 C ATOM 1022 CD GLN A 60 1.954 -2.536 6.577 1.00 0.00 C ATOM 1023 OE1 GLN A 60 1.280 -1.609 6.125 1.00 0.00 O ATOM 1024 NE2 GLN A 60 1.905 -2.900 7.853 1.00 0.00 N ATOM 0 H GLN A 60 4.196 -4.169 2.931 1.00 0.00 H new ATOM 0 HA GLN A 60 2.791 -5.771 4.811 1.00 0.00 H new ATOM 0 HB2 GLN A 60 2.505 -3.035 3.599 1.00 0.00 H new ATOM 0 HB3 GLN A 60 1.156 -3.707 4.494 1.00 0.00 H new ATOM 0 HG2 GLN A 60 3.240 -4.206 6.218 1.00 0.00 H new ATOM 0 HG3 GLN A 60 3.771 -2.716 5.465 1.00 0.00 H new ATOM 0 HE21 GLN A 60 2.481 -3.674 8.185 1.00 0.00 H new ATOM 0 HE22 GLN A 60 1.292 -2.406 8.501 1.00 0.00 H new ATOM 1033 N LEU A 61 1.500 -5.391 1.803 1.00 0.00 N ATOM 1034 CA LEU A 61 0.526 -5.938 0.873 1.00 0.00 C ATOM 1035 C LEU A 61 0.657 -7.454 0.811 1.00 0.00 C ATOM 1036 O LEU A 61 -0.334 -8.169 0.663 1.00 0.00 O ATOM 1037 CB LEU A 61 0.720 -5.337 -0.522 1.00 0.00 C ATOM 1038 CG LEU A 61 0.093 -3.956 -0.725 1.00 0.00 C ATOM 1039 CD1 LEU A 61 0.136 -3.565 -2.194 1.00 0.00 C ATOM 1040 CD2 LEU A 61 -1.336 -3.937 -0.207 1.00 0.00 C ATOM 0 H LEU A 61 2.138 -4.708 1.394 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.473 -5.682 1.226 1.00 0.00 H new ATOM 0 HB2 LEU A 61 1.789 -5.268 -0.726 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.299 -6.022 -1.258 1.00 0.00 H new ATOM 0 HG LEU A 61 0.671 -3.227 -0.158 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.314 -2.580 -2.322 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.172 -3.538 -2.533 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.419 -4.296 -2.782 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.765 -2.947 -0.360 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.928 -4.677 -0.746 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.341 -4.174 0.857 1.00 0.00 H new ATOM 1052 N LYS A 62 1.888 -7.939 0.948 1.00 0.00 N ATOM 1053 CA LYS A 62 2.149 -9.371 0.942 1.00 0.00 C ATOM 1054 C LYS A 62 1.440 -10.036 2.116 1.00 0.00 C ATOM 1055 O LYS A 62 0.690 -11.000 1.945 1.00 0.00 O ATOM 1056 CB LYS A 62 3.653 -9.638 1.013 1.00 0.00 C ATOM 1057 CG LYS A 62 4.070 -10.946 0.366 1.00 0.00 C ATOM 1058 CD LYS A 62 3.928 -12.112 1.330 1.00 0.00 C ATOM 1059 CE LYS A 62 4.971 -13.183 1.063 1.00 0.00 C ATOM 1060 NZ LYS A 62 4.354 -14.525 0.870 1.00 0.00 N ATOM 0 H LYS A 62 2.719 -7.359 1.064 1.00 0.00 H new ATOM 0 HA LYS A 62 1.765 -9.793 0.013 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.182 -8.818 0.528 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.963 -9.644 2.058 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.459 -11.127 -0.519 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.104 -10.874 0.030 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.027 -11.753 2.354 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.931 -12.542 1.238 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.545 -12.917 0.176 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.672 -13.223 1.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.035 -15.263 1.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.503 -14.604 1.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.093 -14.647 -0.129 1.00 0.00 H new ATOM 1074 N GLU A 63 1.660 -9.499 3.309 1.00 0.00 N ATOM 1075 CA GLU A 63 0.984 -10.002 4.493 1.00 0.00 C ATOM 1076 C GLU A 63 -0.521 -9.944 4.280 1.00 0.00 C ATOM 1077 O GLU A 63 -1.266 -10.797 4.760 1.00 0.00 O ATOM 1078 CB GLU A 63 1.374 -9.192 5.723 1.00 0.00 C ATOM 1079 CG GLU A 63 2.835 -8.770 5.741 1.00 0.00 C ATOM 1080 CD GLU A 63 3.522 -9.104 7.051 1.00 0.00 C ATOM 1081 OE1 GLU A 63 3.193 -10.153 7.644 1.00 0.00 O ATOM 1082 OE2 GLU A 63 4.388 -8.315 7.485 1.00 0.00 O ATOM 0 H GLU A 63 2.297 -8.721 3.480 1.00 0.00 H new ATOM 0 HA GLU A 63 1.287 -11.036 4.659 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.747 -8.302 5.774 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.164 -9.781 6.616 1.00 0.00 H new ATOM 0 HG2 GLU A 63 3.362 -9.262 4.923 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.902 -7.697 5.563 1.00 0.00 H new ATOM 1089 N LEU A 64 -0.957 -8.927 3.540 1.00 0.00 N ATOM 1090 CA LEU A 64 -2.369 -8.746 3.243 1.00 0.00 C ATOM 1091 C LEU A 64 -2.893 -9.880 2.370 1.00 0.00 C ATOM 1092 O LEU A 64 -4.047 -10.291 2.500 1.00 0.00 O ATOM 1093 CB LEU A 64 -2.601 -7.394 2.570 1.00 0.00 C ATOM 1094 CG LEU A 64 -2.924 -6.252 3.541 1.00 0.00 C ATOM 1095 CD1 LEU A 64 -1.661 -5.492 3.919 1.00 0.00 C ATOM 1096 CD2 LEU A 64 -3.956 -5.312 2.944 1.00 0.00 C ATOM 0 H LEU A 64 -0.348 -8.216 3.136 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.921 -8.765 4.183 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.712 -7.129 1.999 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.420 -7.492 1.858 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.344 -6.688 4.447 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.914 -4.686 4.608 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.957 -6.172 4.398 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.207 -5.072 3.022 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.169 -4.510 3.651 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.568 -4.887 2.018 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.872 -5.864 2.734 1.00 0.00 H new ATOM 1108 N LEU A 65 -2.035 -10.404 1.501 1.00 0.00 N ATOM 1109 CA LEU A 65 -2.409 -11.527 0.651 1.00 0.00 C ATOM 1110 C LEU A 65 -2.714 -12.748 1.504 1.00 0.00 C ATOM 1111 O LEU A 65 -3.687 -13.465 1.269 1.00 0.00 O ATOM 1112 CB LEU A 65 -1.275 -11.870 -0.317 1.00 0.00 C ATOM 1113 CG LEU A 65 -1.345 -11.191 -1.675 1.00 0.00 C ATOM 1114 CD1 LEU A 65 -0.973 -9.732 -1.538 1.00 0.00 C ATOM 1115 CD2 LEU A 65 -0.423 -11.891 -2.661 1.00 0.00 C ATOM 0 H LEU A 65 -1.080 -10.071 1.367 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.294 -11.242 0.083 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.328 -11.606 0.153 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.265 -12.949 -0.470 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.364 -11.257 -2.056 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.025 -9.250 -2.514 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.667 -9.242 -0.854 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.041 -9.650 -1.146 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.482 -11.395 -3.630 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.602 -11.848 -2.294 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.727 -12.932 -2.767 1.00 0.00 H new ATOM 1127 N LYS A 66 -1.857 -12.977 2.491 1.00 0.00 N ATOM 1128 CA LYS A 66 -1.983 -14.131 3.369 1.00 0.00 C ATOM 1129 C LYS A 66 -3.209 -14.034 4.275 1.00 0.00 C ATOM 1130 O LYS A 66 -3.924 -15.018 4.464 1.00 0.00 O ATOM 1131 CB LYS A 66 -0.720 -14.275 4.217 1.00 0.00 C ATOM 1132 CG LYS A 66 -0.428 -15.706 4.638 1.00 0.00 C ATOM 1133 CD LYS A 66 0.360 -16.447 3.572 1.00 0.00 C ATOM 1134 CE LYS A 66 1.849 -16.151 3.673 1.00 0.00 C ATOM 1135 NZ LYS A 66 2.625 -17.347 4.102 1.00 0.00 N ATOM 0 H LYS A 66 -1.062 -12.374 2.703 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.111 -15.012 2.739 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.131 -13.890 3.655 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.819 -13.656 5.109 1.00 0.00 H new ATOM 0 HG2 LYS A 66 0.133 -15.705 5.572 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -1.365 -16.229 4.830 1.00 0.00 H new ATOM 0 HD2 LYS A 66 0.193 -17.519 3.674 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.003 -16.161 2.585 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.217 -15.807 2.706 1.00 0.00 H new ATOM 0 HE3 LYS A 66 2.011 -15.340 4.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 3.635 -17.104 4.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 2.291 -17.661 5.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.492 -18.113 3.412 1.00 0.00 H new ATOM 1149 N ARG A 67 -3.444 -12.857 4.850 1.00 0.00 N ATOM 1150 CA ARG A 67 -4.567 -12.677 5.764 1.00 0.00 C ATOM 1151 C ARG A 67 -5.907 -12.746 5.033 1.00 0.00 C ATOM 1152 O ARG A 67 -6.831 -13.420 5.490 1.00 0.00 O ATOM 1153 CB ARG A 67 -4.452 -11.361 6.528 1.00 0.00 C ATOM 1154 CG ARG A 67 -4.425 -10.150 5.630 1.00 0.00 C ATOM 1155 CD ARG A 67 -3.850 -8.937 6.346 1.00 0.00 C ATOM 1156 NE ARG A 67 -4.273 -8.868 7.740 1.00 0.00 N ATOM 1157 CZ ARG A 67 -3.697 -8.085 8.646 1.00 0.00 C ATOM 1158 NH1 ARG A 67 -2.680 -7.307 8.300 1.00 0.00 N ATOM 1159 NH2 ARG A 67 -4.137 -8.077 9.897 1.00 0.00 N ATOM 0 H ARG A 67 -2.878 -12.022 4.701 1.00 0.00 H new ATOM 0 HA ARG A 67 -4.529 -13.499 6.479 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -5.292 -11.275 7.217 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -3.544 -11.377 7.132 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -3.829 -10.367 4.743 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -5.436 -9.927 5.288 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -2.762 -8.972 6.300 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -4.162 -8.030 5.828 1.00 0.00 H new ATOM 0 HE ARG A 67 -5.054 -9.453 8.036 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -2.340 -7.310 7.338 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -2.238 -6.706 8.996 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -4.920 -8.673 10.166 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -3.693 -7.475 10.590 1.00 0.00 H new ATOM 1173 N VAL A 68 -6.017 -12.050 3.905 1.00 0.00 N ATOM 1174 CA VAL A 68 -7.264 -12.050 3.145 1.00 0.00 C ATOM 1175 C VAL A 68 -7.609 -13.465 2.671 1.00 0.00 C ATOM 1176 O VAL A 68 -8.746 -13.915 2.804 1.00 0.00 O ATOM 1177 CB VAL A 68 -7.223 -11.073 1.938 1.00 0.00 C ATOM 1178 CG1 VAL A 68 -6.551 -11.695 0.716 1.00 0.00 C ATOM 1179 CG2 VAL A 68 -8.630 -10.602 1.609 1.00 0.00 C ATOM 0 H VAL A 68 -5.269 -11.486 3.501 1.00 0.00 H new ATOM 0 HA VAL A 68 -8.045 -11.699 3.820 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.617 -10.213 2.222 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.546 -10.975 -0.102 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.526 -11.969 0.965 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.101 -12.586 0.412 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.596 -9.917 0.762 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.251 -11.461 1.356 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.053 -10.090 2.473 1.00 0.00 H new ATOM 1189 N ALA A 69 -6.617 -14.152 2.111 1.00 0.00 N ATOM 1190 CA ALA A 69 -6.813 -15.507 1.616 1.00 0.00 C ATOM 1191 C ALA A 69 -7.133 -16.466 2.757 1.00 0.00 C ATOM 1192 O ALA A 69 -6.310 -16.683 3.647 1.00 0.00 O ATOM 1193 CB ALA A 69 -5.580 -15.976 0.858 1.00 0.00 C ATOM 0 H ALA A 69 -5.671 -13.791 1.990 1.00 0.00 H new ATOM 0 HA ALA A 69 -7.663 -15.499 0.934 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.741 -16.991 0.494 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.398 -15.312 0.013 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.717 -15.962 1.523 1.00 0.00 H new