USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 499 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 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= -0.48 USER MOD Single : A 17 CYS SG : rot 25:sc= 0.482 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= -0.879 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -141:sc= -0.371 (180deg=-1.53!) USER MOD Single : A 50 THR OG1 : rot -75:sc= 0.579 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -160:sc= 0.652 (180deg=0.0215) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.863 USER MOD Single : A 65 GLN : amide:sc= -0.803 K(o=-0.8,f=0) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 GLN : amide:sc=-0.00784 K(o=-0.0078,f=-1.6) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 191 N VAL A 10 8.285 -16.982 -8.674 1.00 0.00 N ATOM 192 CA VAL A 10 7.886 -15.744 -8.014 1.00 0.00 C ATOM 193 C VAL A 10 7.297 -14.754 -9.012 1.00 0.00 C ATOM 194 O VAL A 10 7.650 -14.760 -10.192 1.00 0.00 O ATOM 195 CB VAL A 10 9.077 -15.084 -7.294 1.00 0.00 C ATOM 196 CG1 VAL A 10 8.601 -13.930 -6.424 1.00 0.00 C ATOM 197 CG2 VAL A 10 9.834 -16.110 -6.466 1.00 0.00 C ATOM 0 HA VAL A 10 7.126 -16.008 -7.278 1.00 0.00 H new ATOM 0 HB VAL A 10 9.758 -14.685 -8.045 1.00 0.00 H new ATOM 0 HG11 VAL A 10 9.456 -13.476 -5.923 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.107 -13.184 -7.047 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.899 -14.302 -5.678 1.00 0.00 H new ATOM 0 HG21 VAL A 10 10.672 -15.626 -5.964 1.00 0.00 H new ATOM 0 HG22 VAL A 10 9.165 -16.541 -5.721 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.208 -16.899 -7.118 1.00 0.00 H new ATOM 207 N LYS A 11 6.397 -13.903 -8.532 1.00 0.00 N ATOM 208 CA LYS A 11 5.758 -12.904 -9.380 1.00 0.00 C ATOM 209 C LYS A 11 5.661 -11.562 -8.662 1.00 0.00 C ATOM 210 O LYS A 11 5.033 -11.454 -7.609 1.00 0.00 O ATOM 211 CB LYS A 11 4.362 -13.374 -9.795 1.00 0.00 C ATOM 212 CG LYS A 11 3.747 -12.545 -10.909 1.00 0.00 C ATOM 213 CD LYS A 11 4.224 -13.006 -12.276 1.00 0.00 C ATOM 214 CE LYS A 11 3.838 -12.016 -13.364 1.00 0.00 C ATOM 215 NZ LYS A 11 3.627 -12.688 -14.676 1.00 0.00 N ATOM 0 H LYS A 11 6.093 -13.885 -7.558 1.00 0.00 H new ATOM 0 HA LYS A 11 6.372 -12.776 -10.272 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.419 -14.414 -10.116 1.00 0.00 H new ATOM 0 HB3 LYS A 11 3.705 -13.344 -8.926 1.00 0.00 H new ATOM 0 HG2 LYS A 11 2.660 -12.616 -10.859 1.00 0.00 H new ATOM 0 HG3 LYS A 11 4.005 -11.495 -10.768 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.307 -13.129 -12.262 1.00 0.00 H new ATOM 0 HD3 LYS A 11 3.795 -13.982 -12.502 1.00 0.00 H new ATOM 0 HE2 LYS A 11 2.927 -11.494 -13.073 1.00 0.00 H new ATOM 0 HE3 LYS A 11 4.619 -11.263 -13.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 3.365 -11.979 -15.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 4.504 -13.166 -14.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 2.864 -13.389 -14.588 1.00 0.00 H new ATOM 229 N VAL A 12 6.287 -10.541 -9.240 1.00 0.00 N ATOM 230 CA VAL A 12 6.269 -9.205 -8.656 1.00 0.00 C ATOM 231 C VAL A 12 5.607 -8.203 -9.596 1.00 0.00 C ATOM 232 O VAL A 12 5.847 -8.216 -10.803 1.00 0.00 O ATOM 233 CB VAL A 12 7.692 -8.718 -8.325 1.00 0.00 C ATOM 234 CG1 VAL A 12 7.690 -7.227 -8.022 1.00 0.00 C ATOM 235 CG2 VAL A 12 8.266 -9.507 -7.157 1.00 0.00 C ATOM 0 H VAL A 12 6.812 -10.614 -10.111 1.00 0.00 H new ATOM 0 HA VAL A 12 5.691 -9.271 -7.734 1.00 0.00 H new ATOM 0 HB VAL A 12 8.327 -8.886 -9.195 1.00 0.00 H new ATOM 0 HG11 VAL A 12 8.704 -6.901 -7.790 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.323 -6.680 -8.890 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.042 -7.030 -7.168 1.00 0.00 H new ATOM 0 HG21 VAL A 12 9.272 -9.150 -6.936 1.00 0.00 H new ATOM 0 HG22 VAL A 12 7.633 -9.372 -6.280 1.00 0.00 H new ATOM 0 HG23 VAL A 12 8.305 -10.565 -7.417 1.00 0.00 H new ATOM 245 N VAL A 13 4.772 -7.335 -9.034 1.00 0.00 N ATOM 246 CA VAL A 13 4.076 -6.324 -9.821 1.00 0.00 C ATOM 247 C VAL A 13 4.535 -4.921 -9.443 1.00 0.00 C ATOM 248 O VAL A 13 4.598 -4.574 -8.263 1.00 0.00 O ATOM 249 CB VAL A 13 2.550 -6.421 -9.635 1.00 0.00 C ATOM 250 CG1 VAL A 13 1.843 -5.353 -10.456 1.00 0.00 C ATOM 251 CG2 VAL A 13 2.055 -7.809 -10.012 1.00 0.00 C ATOM 0 H VAL A 13 4.561 -7.312 -8.036 1.00 0.00 H new ATOM 0 HA VAL A 13 4.320 -6.513 -10.866 1.00 0.00 H new ATOM 0 HB VAL A 13 2.318 -6.250 -8.584 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.766 -5.437 -10.312 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.176 -4.366 -10.134 1.00 0.00 H new ATOM 0 HG13 VAL A 13 2.080 -5.489 -11.511 1.00 0.00 H new ATOM 0 HG21 VAL A 13 0.975 -7.860 -9.875 1.00 0.00 H new ATOM 0 HG22 VAL A 13 2.298 -8.011 -11.055 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.537 -8.552 -9.377 1.00 0.00 H new ATOM 261 N TYR A 14 4.854 -4.117 -10.451 1.00 0.00 N ATOM 262 CA TYR A 14 5.309 -2.750 -10.225 1.00 0.00 C ATOM 263 C TYR A 14 4.400 -1.749 -10.931 1.00 0.00 C ATOM 264 O TYR A 14 4.128 -1.875 -12.126 1.00 0.00 O ATOM 265 CB TYR A 14 6.749 -2.583 -10.714 1.00 0.00 C ATOM 266 CG TYR A 14 7.785 -3.043 -9.714 1.00 0.00 C ATOM 267 CD1 TYR A 14 8.041 -2.310 -8.562 1.00 0.00 C ATOM 268 CD2 TYR A 14 8.508 -4.211 -9.922 1.00 0.00 C ATOM 269 CE1 TYR A 14 8.988 -2.727 -7.646 1.00 0.00 C ATOM 270 CE2 TYR A 14 9.456 -4.636 -9.011 1.00 0.00 C ATOM 271 CZ TYR A 14 9.693 -3.891 -7.875 1.00 0.00 C ATOM 272 OH TYR A 14 10.635 -4.310 -6.964 1.00 0.00 O ATOM 0 H TYR A 14 4.806 -4.388 -11.433 1.00 0.00 H new ATOM 0 HA TYR A 14 5.271 -2.553 -9.154 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.877 -3.143 -11.640 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.924 -1.533 -10.949 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.491 -1.399 -8.379 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.326 -4.797 -10.811 1.00 0.00 H new ATOM 0 HE1 TYR A 14 9.175 -2.145 -6.756 1.00 0.00 H new ATOM 0 HE2 TYR A 14 10.009 -5.547 -9.188 1.00 0.00 H new ATOM 0 HH TYR A 14 11.040 -5.147 -7.274 1.00 0.00 H new ATOM 282 N LEU A 15 3.933 -0.755 -10.184 1.00 0.00 N ATOM 283 CA LEU A 15 3.055 0.271 -10.737 1.00 0.00 C ATOM 284 C LEU A 15 3.326 1.626 -10.092 1.00 0.00 C ATOM 285 O LEU A 15 3.738 1.702 -8.935 1.00 0.00 O ATOM 286 CB LEU A 15 1.591 -0.121 -10.533 1.00 0.00 C ATOM 287 CG LEU A 15 1.069 -1.254 -11.417 1.00 0.00 C ATOM 288 CD1 LEU A 15 -0.109 -1.950 -10.753 1.00 0.00 C ATOM 289 CD2 LEU A 15 0.674 -0.724 -12.787 1.00 0.00 C ATOM 0 H LEU A 15 4.147 -0.637 -9.194 1.00 0.00 H new ATOM 0 HA LEU A 15 3.258 0.352 -11.805 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.455 -0.409 -9.490 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.973 0.760 -10.704 1.00 0.00 H new ATOM 0 HG LEU A 15 1.868 -1.983 -11.549 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.467 -2.753 -11.397 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.206 -2.365 -9.796 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.912 -1.231 -10.590 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.305 -1.545 -13.402 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.109 0.026 -12.675 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.543 -0.273 -13.267 1.00 0.00 H new ATOM 301 N ARG A 16 3.090 2.693 -10.848 1.00 0.00 N ATOM 302 CA ARG A 16 3.308 4.046 -10.349 1.00 0.00 C ATOM 303 C ARG A 16 1.980 4.761 -10.120 1.00 0.00 C ATOM 304 O ARG A 16 1.240 5.036 -11.065 1.00 0.00 O ATOM 305 CB ARG A 16 4.165 4.843 -11.334 1.00 0.00 C ATOM 306 CG ARG A 16 4.527 6.234 -10.839 1.00 0.00 C ATOM 307 CD ARG A 16 5.674 6.190 -9.842 1.00 0.00 C ATOM 308 NE ARG A 16 6.975 6.168 -10.505 1.00 0.00 N ATOM 309 CZ ARG A 16 7.566 7.249 -11.000 1.00 0.00 C ATOM 310 NH1 ARG A 16 6.975 8.433 -10.907 1.00 0.00 N ATOM 311 NH2 ARG A 16 8.750 7.149 -11.590 1.00 0.00 N ATOM 0 H ARG A 16 2.748 2.647 -11.808 1.00 0.00 H new ATOM 0 HA ARG A 16 3.832 3.975 -9.396 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.081 4.289 -11.536 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.630 4.931 -12.280 1.00 0.00 H new ATOM 0 HG2 ARG A 16 4.804 6.862 -11.686 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.656 6.694 -10.373 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.617 7.058 -9.185 1.00 0.00 H new ATOM 0 HD3 ARG A 16 5.573 5.306 -9.212 1.00 0.00 H new ATOM 0 HE ARG A 16 7.456 5.273 -10.593 1.00 0.00 H new ATOM 0 HH11 ARG A 16 6.065 8.514 -10.454 1.00 0.00 H new ATOM 0 HH12 ARG A 16 7.431 9.262 -11.288 1.00 0.00 H new ATOM 0 HH21 ARG A 16 9.208 6.241 -11.664 1.00 0.00 H new ATOM 0 HH22 ARG A 16 9.202 7.981 -11.970 1.00 0.00 H new ATOM 325 N CYS A 17 1.684 5.057 -8.859 1.00 0.00 N ATOM 326 CA CYS A 17 0.444 5.739 -8.505 1.00 0.00 C ATOM 327 C CYS A 17 0.624 6.570 -7.238 1.00 0.00 C ATOM 328 O CYS A 17 1.628 6.444 -6.536 1.00 0.00 O ATOM 329 CB CYS A 17 -0.682 4.724 -8.308 1.00 0.00 C ATOM 330 SG CYS A 17 -1.449 4.164 -9.847 1.00 0.00 S ATOM 0 H CYS A 17 2.285 4.836 -8.065 1.00 0.00 H new ATOM 0 HA CYS A 17 0.180 6.409 -9.323 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.288 3.859 -7.775 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -1.449 5.167 -7.673 1.00 0.00 H new ATOM 0 HG CYS A 17 -0.604 4.296 -10.826 1.00 0.00 H new ATOM 336 N THR A 18 -0.356 7.422 -6.952 1.00 0.00 N ATOM 337 CA THR A 18 -0.306 8.276 -5.772 1.00 0.00 C ATOM 338 C THR A 18 -0.603 7.482 -4.505 1.00 0.00 C ATOM 339 O THR A 18 -1.482 6.622 -4.492 1.00 0.00 O ATOM 340 CB THR A 18 -1.306 9.443 -5.880 1.00 0.00 C ATOM 341 OG1 THR A 18 -1.062 10.188 -7.078 1.00 0.00 O ATOM 342 CG2 THR A 18 -1.196 10.363 -4.674 1.00 0.00 C ATOM 0 H THR A 18 -1.194 7.539 -7.522 1.00 0.00 H new ATOM 0 HA THR A 18 0.705 8.678 -5.716 1.00 0.00 H new ATOM 0 HB THR A 18 -2.313 9.028 -5.910 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.703 10.927 -7.140 1.00 0.00 H new ATOM 0 HG21 THR A 18 -1.912 11.179 -4.773 1.00 0.00 H new ATOM 0 HG22 THR A 18 -1.411 9.800 -3.766 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.186 10.770 -4.618 1.00 0.00 H new ATOM 350 N GLY A 19 0.135 7.777 -3.440 1.00 0.00 N ATOM 351 CA GLY A 19 -0.065 7.082 -2.182 1.00 0.00 C ATOM 352 C GLY A 19 -1.242 7.629 -1.398 1.00 0.00 C ATOM 353 O GLY A 19 -1.513 8.829 -1.429 1.00 0.00 O ATOM 0 H GLY A 19 0.869 8.486 -3.426 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -0.224 6.022 -2.378 1.00 0.00 H new ATOM 0 HA3 GLY A 19 0.839 7.163 -1.578 1.00 0.00 H new ATOM 357 N GLY A 20 -1.944 6.747 -0.694 1.00 0.00 N ATOM 358 CA GLY A 20 -3.090 7.168 0.090 1.00 0.00 C ATOM 359 C GLY A 20 -4.233 7.663 -0.774 1.00 0.00 C ATOM 360 O GLY A 20 -4.790 8.732 -0.524 1.00 0.00 O ATOM 0 H GLY A 20 -1.740 5.749 -0.653 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -3.435 6.334 0.701 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.787 7.960 0.775 1.00 0.00 H new ATOM 364 N GLU A 21 -4.582 6.885 -1.793 1.00 0.00 N ATOM 365 CA GLU A 21 -5.665 7.253 -2.698 1.00 0.00 C ATOM 366 C GLU A 21 -6.903 6.397 -2.443 1.00 0.00 C ATOM 367 O GLU A 21 -6.857 5.432 -1.681 1.00 0.00 O ATOM 368 CB GLU A 21 -5.217 7.100 -4.154 1.00 0.00 C ATOM 369 CG GLU A 21 -4.688 5.715 -4.485 1.00 0.00 C ATOM 370 CD GLU A 21 -4.160 5.615 -5.903 1.00 0.00 C ATOM 371 OE1 GLU A 21 -4.431 6.536 -6.702 1.00 0.00 O ATOM 372 OE2 GLU A 21 -3.476 4.618 -6.214 1.00 0.00 O ATOM 0 H GLU A 21 -4.131 5.997 -2.013 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.921 8.296 -2.511 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.058 7.325 -4.810 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -4.442 7.836 -4.366 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.892 5.458 -3.786 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -5.484 4.983 -4.345 1.00 0.00 H new ATOM 437 N ALA A 27 -11.921 -2.726 -10.407 1.00 0.00 N ATOM 438 CA ALA A 27 -10.889 -3.012 -11.396 1.00 0.00 C ATOM 439 C ALA A 27 -10.028 -4.194 -10.964 1.00 0.00 C ATOM 440 O ALA A 27 -9.516 -4.941 -11.799 1.00 0.00 O ATOM 441 CB ALA A 27 -10.023 -1.783 -11.626 1.00 0.00 C ATOM 0 HA ALA A 27 -11.381 -3.277 -12.332 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.257 -2.011 -12.367 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -10.644 -0.963 -11.987 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -9.547 -1.493 -10.689 1.00 0.00 H new ATOM 447 N LEU A 28 -9.871 -4.358 -9.655 1.00 0.00 N ATOM 448 CA LEU A 28 -9.070 -5.450 -9.111 1.00 0.00 C ATOM 449 C LEU A 28 -9.913 -6.710 -8.938 1.00 0.00 C ATOM 450 O LEU A 28 -9.395 -7.773 -8.598 1.00 0.00 O ATOM 451 CB LEU A 28 -8.461 -5.042 -7.769 1.00 0.00 C ATOM 452 CG LEU A 28 -7.565 -3.803 -7.787 1.00 0.00 C ATOM 453 CD1 LEU A 28 -7.336 -3.289 -6.374 1.00 0.00 C ATOM 454 CD2 LEU A 28 -6.238 -4.115 -8.464 1.00 0.00 C ATOM 0 H LEU A 28 -10.287 -3.749 -8.951 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.268 -5.666 -9.817 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -9.273 -4.869 -7.062 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.879 -5.881 -7.387 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.068 -3.023 -8.358 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.696 -2.407 -6.407 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.293 -3.027 -5.923 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.855 -4.065 -5.778 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.613 -3.222 -8.468 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.730 -4.911 -7.920 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.419 -4.435 -9.490 1.00 0.00 H new ATOM 466 N ALA A 29 -11.214 -6.582 -9.177 1.00 0.00 N ATOM 467 CA ALA A 29 -12.128 -7.711 -9.052 1.00 0.00 C ATOM 468 C ALA A 29 -11.714 -8.857 -9.969 1.00 0.00 C ATOM 469 O ALA A 29 -11.473 -9.981 -9.528 1.00 0.00 O ATOM 470 CB ALA A 29 -13.552 -7.274 -9.361 1.00 0.00 C ATOM 0 H ALA A 29 -11.659 -5.708 -9.458 1.00 0.00 H new ATOM 0 HA ALA A 29 -12.084 -8.069 -8.024 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -14.224 -8.127 -9.264 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -13.853 -6.494 -8.662 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -13.601 -6.888 -10.379 1.00 0.00 H new ATOM 476 N PRO A 30 -11.628 -8.568 -11.276 1.00 0.00 N ATOM 477 CA PRO A 30 -11.243 -9.562 -12.283 1.00 0.00 C ATOM 478 C PRO A 30 -9.774 -9.959 -12.174 1.00 0.00 C ATOM 479 O PRO A 30 -9.378 -11.039 -12.611 1.00 0.00 O ATOM 480 CB PRO A 30 -11.506 -8.845 -13.609 1.00 0.00 C ATOM 481 CG PRO A 30 -11.399 -7.395 -13.283 1.00 0.00 C ATOM 482 CD PRO A 30 -11.900 -7.250 -11.872 1.00 0.00 C ATOM 0 HA PRO A 30 -11.798 -10.493 -12.169 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -10.778 -9.135 -14.367 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -12.492 -9.091 -14.003 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -10.368 -7.051 -13.369 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -11.994 -6.795 -13.972 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -11.379 -6.454 -11.341 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -12.963 -7.009 -11.846 1.00 0.00 H new ATOM 490 N LYS A 31 -8.971 -9.078 -11.587 1.00 0.00 N ATOM 491 CA LYS A 31 -7.546 -9.336 -11.418 1.00 0.00 C ATOM 492 C LYS A 31 -7.310 -10.438 -10.390 1.00 0.00 C ATOM 493 O LYS A 31 -6.492 -11.333 -10.603 1.00 0.00 O ATOM 494 CB LYS A 31 -6.823 -8.058 -10.986 1.00 0.00 C ATOM 495 CG LYS A 31 -6.788 -6.986 -12.062 1.00 0.00 C ATOM 496 CD LYS A 31 -5.695 -5.964 -11.796 1.00 0.00 C ATOM 497 CE LYS A 31 -5.898 -4.704 -12.623 1.00 0.00 C ATOM 498 NZ LYS A 31 -4.827 -3.700 -12.374 1.00 0.00 N ATOM 0 H LYS A 31 -9.283 -8.179 -11.220 1.00 0.00 H new ATOM 0 HA LYS A 31 -7.146 -9.666 -12.377 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.313 -7.655 -10.099 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -5.801 -8.307 -10.700 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -6.624 -7.450 -13.034 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -7.754 -6.483 -12.108 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.685 -5.708 -10.737 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.723 -6.400 -12.028 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.914 -4.963 -13.682 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.868 -4.267 -12.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.001 -2.856 -12.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.828 -3.434 -11.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.904 -4.108 -12.623 1.00 0.00 H new ATOM 512 N ILE A 32 -8.032 -10.366 -9.277 1.00 0.00 N ATOM 513 CA ILE A 32 -7.903 -11.359 -8.218 1.00 0.00 C ATOM 514 C ILE A 32 -8.991 -12.422 -8.325 1.00 0.00 C ATOM 515 O ILE A 32 -8.926 -13.461 -7.669 1.00 0.00 O ATOM 516 CB ILE A 32 -7.972 -10.708 -6.824 1.00 0.00 C ATOM 517 CG1 ILE A 32 -6.984 -9.544 -6.731 1.00 0.00 C ATOM 518 CG2 ILE A 32 -7.687 -11.740 -5.743 1.00 0.00 C ATOM 519 CD1 ILE A 32 -7.171 -8.689 -5.497 1.00 0.00 C ATOM 0 H ILE A 32 -8.712 -9.630 -9.085 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.927 -11.828 -8.343 1.00 0.00 H new ATOM 0 HB ILE A 32 -8.978 -10.318 -6.671 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -5.968 -9.939 -6.739 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -7.089 -8.917 -7.617 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -7.739 -11.265 -4.763 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -8.426 -12.539 -5.799 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -6.691 -12.157 -5.891 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -6.436 -7.884 -5.498 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -8.175 -8.265 -5.497 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -7.036 -9.302 -4.606 1.00 0.00 H new ATOM 531 N GLY A 33 -9.992 -12.155 -9.159 1.00 0.00 N ATOM 532 CA GLY A 33 -11.079 -13.099 -9.338 1.00 0.00 C ATOM 533 C GLY A 33 -10.605 -14.538 -9.332 1.00 0.00 C ATOM 534 O GLY A 33 -11.019 -15.347 -8.500 1.00 0.00 O ATOM 0 H GLY A 33 -10.069 -11.302 -9.713 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.813 -12.958 -8.544 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -11.585 -12.891 -10.280 1.00 0.00 H new ATOM 538 N PRO A 34 -9.717 -14.877 -10.278 1.00 0.00 N ATOM 539 CA PRO A 34 -9.167 -16.231 -10.399 1.00 0.00 C ATOM 540 C PRO A 34 -8.226 -16.580 -9.251 1.00 0.00 C ATOM 541 O PRO A 34 -8.111 -17.742 -8.861 1.00 0.00 O ATOM 542 CB PRO A 34 -8.402 -16.186 -11.724 1.00 0.00 C ATOM 543 CG PRO A 34 -8.050 -14.750 -11.909 1.00 0.00 C ATOM 544 CD PRO A 34 -9.179 -13.965 -11.301 1.00 0.00 C ATOM 0 HA PRO A 34 -9.947 -16.992 -10.367 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -7.510 -16.811 -11.687 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -9.015 -16.553 -12.548 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -7.104 -14.514 -11.422 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -7.933 -14.510 -12.966 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -8.828 -13.031 -10.862 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -9.933 -13.705 -12.044 1.00 0.00 H new ATOM 552 N LEU A 35 -7.555 -15.567 -8.714 1.00 0.00 N ATOM 553 CA LEU A 35 -6.623 -15.767 -7.609 1.00 0.00 C ATOM 554 C LEU A 35 -7.345 -16.309 -6.380 1.00 0.00 C ATOM 555 O LEU A 35 -7.099 -17.435 -5.950 1.00 0.00 O ATOM 556 CB LEU A 35 -5.921 -14.452 -7.265 1.00 0.00 C ATOM 557 CG LEU A 35 -4.626 -14.164 -8.024 1.00 0.00 C ATOM 558 CD1 LEU A 35 -4.879 -14.143 -9.523 1.00 0.00 C ATOM 559 CD2 LEU A 35 -4.021 -12.845 -7.565 1.00 0.00 C ATOM 0 H LEU A 35 -7.639 -14.599 -9.025 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.878 -16.499 -7.921 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.616 -13.633 -7.449 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.701 -14.449 -6.197 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.916 -14.962 -7.807 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -3.946 -13.936 -10.047 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.267 -15.111 -9.840 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.607 -13.366 -9.758 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.100 -12.656 -8.116 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.728 -12.036 -7.751 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.802 -12.897 -6.499 1.00 0.00 H new ATOM 571 N GLY A 36 -8.238 -15.499 -5.819 1.00 0.00 N ATOM 572 CA GLY A 36 -8.983 -15.916 -4.645 1.00 0.00 C ATOM 573 C GLY A 36 -9.207 -14.780 -3.667 1.00 0.00 C ATOM 574 O GLY A 36 -10.343 -14.494 -3.285 1.00 0.00 O ATOM 0 H GLY A 36 -8.459 -14.562 -6.156 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -9.947 -16.320 -4.955 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -8.446 -16.722 -4.145 1.00 0.00 H new ATOM 578 N LEU A 37 -8.122 -14.131 -3.258 1.00 0.00 N ATOM 579 CA LEU A 37 -8.205 -13.020 -2.316 1.00 0.00 C ATOM 580 C LEU A 37 -9.200 -11.970 -2.799 1.00 0.00 C ATOM 581 O LEU A 37 -9.673 -12.024 -3.933 1.00 0.00 O ATOM 582 CB LEU A 37 -6.827 -12.384 -2.125 1.00 0.00 C ATOM 583 CG LEU A 37 -5.763 -13.270 -1.475 1.00 0.00 C ATOM 584 CD1 LEU A 37 -5.219 -14.275 -2.478 1.00 0.00 C ATOM 585 CD2 LEU A 37 -4.637 -12.419 -0.905 1.00 0.00 C ATOM 0 H LEU A 37 -7.175 -14.355 -3.564 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.553 -13.411 -1.360 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.459 -12.064 -3.100 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.944 -11.486 -1.518 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.226 -13.820 -0.656 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.463 -14.896 -1.997 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.032 -14.906 -2.838 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.771 -13.744 -3.318 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.889 -13.065 -0.446 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.176 -11.842 -1.706 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.039 -11.739 -0.154 1.00 0.00 H new ATOM 597 N SER A 38 -9.511 -11.014 -1.930 1.00 0.00 N ATOM 598 CA SER A 38 -10.451 -9.951 -2.267 1.00 0.00 C ATOM 599 C SER A 38 -9.721 -8.629 -2.484 1.00 0.00 C ATOM 600 O SER A 38 -8.745 -8.311 -1.805 1.00 0.00 O ATOM 601 CB SER A 38 -11.495 -9.794 -1.159 1.00 0.00 C ATOM 602 OG SER A 38 -12.441 -8.792 -1.488 1.00 0.00 O ATOM 0 H SER A 38 -9.126 -10.953 -0.987 1.00 0.00 H new ATOM 0 HA SER A 38 -10.954 -10.225 -3.194 1.00 0.00 H new ATOM 0 HB2 SER A 38 -12.007 -10.743 -1.000 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.000 -9.538 -0.222 1.00 0.00 H new ATOM 0 HG SER A 38 -13.098 -8.712 -0.765 1.00 0.00 H new ATOM 608 N PRO A 39 -10.206 -7.839 -3.453 1.00 0.00 N ATOM 609 CA PRO A 39 -9.616 -6.538 -3.783 1.00 0.00 C ATOM 610 C PRO A 39 -9.848 -5.502 -2.689 1.00 0.00 C ATOM 611 O PRO A 39 -9.071 -4.559 -2.538 1.00 0.00 O ATOM 612 CB PRO A 39 -10.346 -6.133 -5.066 1.00 0.00 C ATOM 613 CG PRO A 39 -11.647 -6.856 -5.006 1.00 0.00 C ATOM 614 CD PRO A 39 -11.367 -8.155 -4.302 1.00 0.00 C ATOM 0 HA PRO A 39 -8.533 -6.598 -3.893 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -10.494 -5.054 -5.113 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -9.777 -6.415 -5.951 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -12.393 -6.273 -4.466 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -12.042 -7.032 -6.006 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -12.221 -8.483 -3.709 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -11.143 -8.955 -5.008 1.00 0.00 H new ATOM 622 N LYS A 40 -10.921 -5.684 -1.926 1.00 0.00 N ATOM 623 CA LYS A 40 -11.254 -4.766 -0.843 1.00 0.00 C ATOM 624 C LYS A 40 -10.236 -4.866 0.288 1.00 0.00 C ATOM 625 O LYS A 40 -9.650 -3.864 0.700 1.00 0.00 O ATOM 626 CB LYS A 40 -12.657 -5.065 -0.309 1.00 0.00 C ATOM 627 CG LYS A 40 -13.371 -3.842 0.243 1.00 0.00 C ATOM 628 CD LYS A 40 -13.983 -3.006 -0.868 1.00 0.00 C ATOM 629 CE LYS A 40 -15.343 -3.544 -1.285 1.00 0.00 C ATOM 630 NZ LYS A 40 -15.633 -3.268 -2.720 1.00 0.00 N ATOM 0 H LYS A 40 -11.575 -6.459 -2.038 1.00 0.00 H new ATOM 0 HA LYS A 40 -11.230 -3.751 -1.240 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -13.258 -5.495 -1.110 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -12.585 -5.818 0.475 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -14.152 -4.157 0.935 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -12.667 -3.234 0.812 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -14.086 -1.974 -0.534 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -13.314 -2.997 -1.729 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -15.378 -4.619 -1.108 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -16.118 -3.093 -0.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -16.569 -3.650 -2.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -15.625 -2.241 -2.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -14.908 -3.720 -3.314 1.00 0.00 H new ATOM 644 N LYS A 41 -10.028 -6.080 0.785 1.00 0.00 N ATOM 645 CA LYS A 41 -9.078 -6.312 1.867 1.00 0.00 C ATOM 646 C LYS A 41 -7.666 -5.918 1.445 1.00 0.00 C ATOM 647 O LYS A 41 -6.952 -5.241 2.185 1.00 0.00 O ATOM 648 CB LYS A 41 -9.104 -7.783 2.290 1.00 0.00 C ATOM 649 CG LYS A 41 -10.254 -8.128 3.220 1.00 0.00 C ATOM 650 CD LYS A 41 -10.053 -7.530 4.602 1.00 0.00 C ATOM 651 CE LYS A 41 -9.146 -8.399 5.459 1.00 0.00 C ATOM 652 NZ LYS A 41 -9.915 -9.420 6.223 1.00 0.00 N ATOM 0 H LYS A 41 -10.505 -6.919 0.456 1.00 0.00 H new ATOM 0 HA LYS A 41 -9.372 -5.692 2.714 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.168 -8.408 1.399 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.163 -8.027 2.783 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -11.189 -7.760 2.796 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -10.345 -9.211 3.301 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.622 -6.533 4.509 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -11.019 -7.415 5.094 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.414 -8.897 4.823 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.590 -7.769 6.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -9.261 -9.992 6.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -10.596 -8.945 6.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -10.426 -10.038 5.560 1.00 0.00 H new ATOM 666 N VAL A 42 -7.270 -6.346 0.250 1.00 0.00 N ATOM 667 CA VAL A 42 -5.944 -6.036 -0.271 1.00 0.00 C ATOM 668 C VAL A 42 -5.815 -4.552 -0.598 1.00 0.00 C ATOM 669 O VAL A 42 -4.794 -3.929 -0.310 1.00 0.00 O ATOM 670 CB VAL A 42 -5.632 -6.858 -1.536 1.00 0.00 C ATOM 671 CG1 VAL A 42 -4.257 -6.500 -2.080 1.00 0.00 C ATOM 672 CG2 VAL A 42 -5.726 -8.347 -1.240 1.00 0.00 C ATOM 0 H VAL A 42 -7.848 -6.908 -0.375 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.228 -6.297 0.509 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.372 -6.615 -2.298 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.054 -7.091 -2.973 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.230 -5.440 -2.332 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.500 -6.713 -1.325 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.503 -8.913 -2.145 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.009 -8.609 -0.462 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.734 -8.588 -0.901 1.00 0.00 H new ATOM 682 N GLY A 43 -6.859 -3.992 -1.201 1.00 0.00 N ATOM 683 CA GLY A 43 -6.843 -2.585 -1.557 1.00 0.00 C ATOM 684 C GLY A 43 -6.787 -1.680 -0.342 1.00 0.00 C ATOM 685 O GLY A 43 -6.019 -0.719 -0.311 1.00 0.00 O ATOM 0 H GLY A 43 -7.715 -4.487 -1.449 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.982 -2.385 -2.195 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.734 -2.351 -2.140 1.00 0.00 H new ATOM 689 N ASP A 44 -7.604 -1.987 0.659 1.00 0.00 N ATOM 690 CA ASP A 44 -7.646 -1.193 1.882 1.00 0.00 C ATOM 691 C ASP A 44 -6.324 -1.289 2.637 1.00 0.00 C ATOM 692 O ASP A 44 -5.880 -0.322 3.256 1.00 0.00 O ATOM 693 CB ASP A 44 -8.794 -1.659 2.779 1.00 0.00 C ATOM 694 CG ASP A 44 -8.558 -1.330 4.240 1.00 0.00 C ATOM 695 OD1 ASP A 44 -7.764 -2.044 4.889 1.00 0.00 O ATOM 696 OD2 ASP A 44 -9.166 -0.358 4.734 1.00 0.00 O ATOM 0 H ASP A 44 -8.246 -2.779 0.648 1.00 0.00 H new ATOM 0 HA ASP A 44 -7.811 -0.152 1.605 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -9.722 -1.191 2.450 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -8.923 -2.736 2.668 1.00 0.00 H new ATOM 701 N ASP A 45 -5.700 -2.460 2.581 1.00 0.00 N ATOM 702 CA ASP A 45 -4.428 -2.682 3.259 1.00 0.00 C ATOM 703 C ASP A 45 -3.360 -1.726 2.738 1.00 0.00 C ATOM 704 O ASP A 45 -2.593 -1.155 3.514 1.00 0.00 O ATOM 705 CB ASP A 45 -3.971 -4.130 3.070 1.00 0.00 C ATOM 706 CG ASP A 45 -4.486 -5.047 4.162 1.00 0.00 C ATOM 707 OD1 ASP A 45 -4.532 -4.610 5.331 1.00 0.00 O ATOM 708 OD2 ASP A 45 -4.843 -6.202 3.848 1.00 0.00 O ATOM 0 H ASP A 45 -6.054 -3.271 2.073 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.573 -2.491 4.322 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -4.316 -4.493 2.102 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.882 -4.165 3.054 1.00 0.00 H new ATOM 713 N ILE A 46 -3.316 -1.558 1.421 1.00 0.00 N ATOM 714 CA ILE A 46 -2.342 -0.671 0.797 1.00 0.00 C ATOM 715 C ILE A 46 -2.558 0.775 1.230 1.00 0.00 C ATOM 716 O ILE A 46 -1.612 1.472 1.596 1.00 0.00 O ATOM 717 CB ILE A 46 -2.412 -0.750 -0.740 1.00 0.00 C ATOM 718 CG1 ILE A 46 -2.147 -2.182 -1.211 1.00 0.00 C ATOM 719 CG2 ILE A 46 -1.414 0.212 -1.366 1.00 0.00 C ATOM 720 CD1 ILE A 46 -2.726 -2.486 -2.575 1.00 0.00 C ATOM 0 H ILE A 46 -3.943 -2.024 0.765 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.357 -1.003 1.126 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.414 -0.462 -1.059 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.071 -2.355 -1.235 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.565 -2.878 -0.484 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.476 0.144 -2.452 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.644 1.230 -1.052 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.406 -0.048 -1.043 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.500 -3.518 -2.845 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.807 -2.346 -2.551 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.289 -1.814 -3.314 1.00 0.00 H new ATOM 732 N ALA A 47 -3.810 1.219 1.187 1.00 0.00 N ATOM 733 CA ALA A 47 -4.151 2.581 1.579 1.00 0.00 C ATOM 734 C ALA A 47 -3.756 2.851 3.027 1.00 0.00 C ATOM 735 O ALA A 47 -3.137 3.870 3.333 1.00 0.00 O ATOM 736 CB ALA A 47 -5.639 2.830 1.381 1.00 0.00 C ATOM 0 H ALA A 47 -4.605 0.655 0.885 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.591 3.267 0.943 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -5.880 3.851 1.678 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -5.895 2.687 0.331 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -6.209 2.131 1.992 1.00 0.00 H new ATOM 742 N LYS A 48 -4.119 1.932 3.916 1.00 0.00 N ATOM 743 CA LYS A 48 -3.802 2.070 5.332 1.00 0.00 C ATOM 744 C LYS A 48 -2.294 2.153 5.547 1.00 0.00 C ATOM 745 O LYS A 48 -1.817 2.932 6.371 1.00 0.00 O ATOM 746 CB LYS A 48 -4.376 0.891 6.121 1.00 0.00 C ATOM 747 CG LYS A 48 -4.753 1.241 7.550 1.00 0.00 C ATOM 748 CD LYS A 48 -6.194 1.715 7.646 1.00 0.00 C ATOM 749 CE LYS A 48 -6.299 3.221 7.460 1.00 0.00 C ATOM 750 NZ LYS A 48 -5.328 3.955 8.318 1.00 0.00 N ATOM 0 H LYS A 48 -4.633 1.083 3.680 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.254 2.995 5.691 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.258 0.513 5.604 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -3.644 0.083 6.135 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.613 0.369 8.188 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.087 2.019 7.923 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.795 1.211 6.889 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.605 1.438 8.616 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.121 3.471 6.414 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.312 3.546 7.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.777 4.815 8.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.033 3.346 9.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.495 4.218 7.753 1.00 0.00 H new ATOM 764 N ALA A 49 -1.549 1.345 4.799 1.00 0.00 N ATOM 765 CA ALA A 49 -0.096 1.330 4.906 1.00 0.00 C ATOM 766 C ALA A 49 0.510 2.609 4.336 1.00 0.00 C ATOM 767 O ALA A 49 1.538 3.088 4.815 1.00 0.00 O ATOM 768 CB ALA A 49 0.473 0.112 4.193 1.00 0.00 C ATOM 0 H ALA A 49 -1.928 0.693 4.113 1.00 0.00 H new ATOM 0 HA ALA A 49 0.165 1.274 5.963 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.559 0.114 4.281 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.073 -0.795 4.647 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.194 0.144 3.140 1.00 0.00 H new ATOM 774 N THR A 50 -0.135 3.158 3.311 1.00 0.00 N ATOM 775 CA THR A 50 0.341 4.380 2.676 1.00 0.00 C ATOM 776 C THR A 50 -0.294 5.612 3.309 1.00 0.00 C ATOM 777 O THR A 50 -0.295 6.693 2.722 1.00 0.00 O ATOM 778 CB THR A 50 0.041 4.381 1.165 1.00 0.00 C ATOM 779 OG1 THR A 50 -1.364 4.217 0.944 1.00 0.00 O ATOM 780 CG2 THR A 50 0.803 3.268 0.461 1.00 0.00 C ATOM 0 H THR A 50 -0.988 2.775 2.903 1.00 0.00 H new ATOM 0 HA THR A 50 1.420 4.414 2.825 1.00 0.00 H new ATOM 0 HB THR A 50 0.364 5.338 0.754 1.00 0.00 H new ATOM 0 HG1 THR A 50 -1.613 3.282 1.100 1.00 0.00 H new ATOM 0 HG21 THR A 50 0.575 3.289 -0.605 1.00 0.00 H new ATOM 0 HG22 THR A 50 1.874 3.412 0.606 1.00 0.00 H new ATOM 0 HG23 THR A 50 0.507 2.305 0.877 1.00 0.00 H new ATOM 788 N GLY A 51 -0.834 5.442 4.512 1.00 0.00 N ATOM 789 CA GLY A 51 -1.465 6.550 5.206 1.00 0.00 C ATOM 790 C GLY A 51 -0.455 7.498 5.823 1.00 0.00 C ATOM 791 O GLY A 51 -0.763 8.662 6.081 1.00 0.00 O ATOM 0 H GLY A 51 -0.846 4.557 5.019 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.096 7.100 4.508 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.118 6.161 5.987 1.00 0.00 H new ATOM 795 N ASP A 52 0.752 6.999 6.063 1.00 0.00 N ATOM 796 CA ASP A 52 1.811 7.809 6.655 1.00 0.00 C ATOM 797 C ASP A 52 2.259 8.904 5.693 1.00 0.00 C ATOM 798 O ASP A 52 2.734 9.958 6.115 1.00 0.00 O ATOM 799 CB ASP A 52 3.002 6.929 7.037 1.00 0.00 C ATOM 800 CG ASP A 52 2.827 6.275 8.393 1.00 0.00 C ATOM 801 OD1 ASP A 52 1.690 5.870 8.715 1.00 0.00 O ATOM 802 OD2 ASP A 52 3.828 6.166 9.133 1.00 0.00 O ATOM 0 H ASP A 52 1.022 6.037 5.857 1.00 0.00 H new ATOM 0 HA ASP A 52 1.415 8.281 7.554 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.137 6.157 6.279 1.00 0.00 H new ATOM 0 HB3 ASP A 52 3.909 7.533 7.043 1.00 0.00 H new ATOM 807 N TRP A 53 2.106 8.647 4.399 1.00 0.00 N ATOM 808 CA TRP A 53 2.496 9.611 3.377 1.00 0.00 C ATOM 809 C TRP A 53 1.380 9.805 2.356 1.00 0.00 C ATOM 810 O TRP A 53 1.611 9.742 1.148 1.00 0.00 O ATOM 811 CB TRP A 53 3.773 9.150 2.672 1.00 0.00 C ATOM 812 CG TRP A 53 3.833 7.667 2.463 1.00 0.00 C ATOM 813 CD1 TRP A 53 3.402 6.976 1.367 1.00 0.00 C ATOM 814 CD2 TRP A 53 4.354 6.693 3.374 1.00 0.00 C ATOM 815 NE1 TRP A 53 3.623 5.631 1.542 1.00 0.00 N ATOM 816 CE2 TRP A 53 4.206 5.432 2.765 1.00 0.00 C ATOM 817 CE3 TRP A 53 4.932 6.764 4.645 1.00 0.00 C ATOM 818 CZ2 TRP A 53 4.615 4.254 3.385 1.00 0.00 C ATOM 819 CZ3 TRP A 53 5.337 5.595 5.259 1.00 0.00 C ATOM 820 CH2 TRP A 53 5.178 4.353 4.629 1.00 0.00 C ATOM 0 H TRP A 53 1.715 7.779 4.033 1.00 0.00 H new ATOM 0 HA TRP A 53 2.684 10.566 3.868 1.00 0.00 H new ATOM 0 HB2 TRP A 53 3.847 9.649 1.706 1.00 0.00 H new ATOM 0 HB3 TRP A 53 4.637 9.462 3.259 1.00 0.00 H new ATOM 0 HD1 TRP A 53 2.953 7.421 0.491 1.00 0.00 H new ATOM 0 HE1 TRP A 53 3.391 4.900 0.870 1.00 0.00 H new ATOM 0 HE3 TRP A 53 5.060 7.716 5.138 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 4.492 3.296 2.902 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 5.784 5.639 6.241 1.00 0.00 H new ATOM 0 HH2 TRP A 53 5.506 3.457 5.135 1.00 0.00 H new ATOM 831 N LYS A 54 0.168 10.041 2.849 1.00 0.00 N ATOM 832 CA LYS A 54 -0.985 10.245 1.980 1.00 0.00 C ATOM 833 C LYS A 54 -0.835 11.529 1.170 1.00 0.00 C ATOM 834 O LYS A 54 -0.808 12.626 1.726 1.00 0.00 O ATOM 835 CB LYS A 54 -2.270 10.300 2.809 1.00 0.00 C ATOM 836 CG LYS A 54 -3.458 10.869 2.052 1.00 0.00 C ATOM 837 CD LYS A 54 -4.764 10.600 2.781 1.00 0.00 C ATOM 838 CE LYS A 54 -5.073 11.693 3.792 1.00 0.00 C ATOM 839 NZ LYS A 54 -6.176 11.302 4.712 1.00 0.00 N ATOM 0 H LYS A 54 -0.041 10.096 3.846 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.041 9.404 1.289 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -2.515 9.294 3.151 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.093 10.905 3.698 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.327 11.943 1.922 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.500 10.430 1.055 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.577 10.530 2.059 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.706 9.638 3.290 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.177 11.914 4.372 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.346 12.608 3.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.356 12.074 5.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.038 11.115 4.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.906 10.444 5.233 1.00 0.00 H new ATOM 853 N GLY A 55 -0.738 11.384 -0.148 1.00 0.00 N ATOM 854 CA GLY A 55 -0.594 12.541 -1.013 1.00 0.00 C ATOM 855 C GLY A 55 0.700 12.515 -1.803 1.00 0.00 C ATOM 856 O GLY A 55 0.792 13.112 -2.877 1.00 0.00 O ATOM 0 H GLY A 55 -0.757 10.486 -0.632 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.437 12.583 -1.703 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -0.630 13.449 -0.410 1.00 0.00 H new ATOM 860 N LEU A 56 1.702 11.825 -1.272 1.00 0.00 N ATOM 861 CA LEU A 56 2.999 11.726 -1.934 1.00 0.00 C ATOM 862 C LEU A 56 3.053 10.503 -2.843 1.00 0.00 C ATOM 863 O LEU A 56 2.426 9.481 -2.564 1.00 0.00 O ATOM 864 CB LEU A 56 4.120 11.654 -0.895 1.00 0.00 C ATOM 865 CG LEU A 56 4.258 12.865 0.028 1.00 0.00 C ATOM 866 CD1 LEU A 56 3.163 12.860 1.083 1.00 0.00 C ATOM 867 CD2 LEU A 56 5.632 12.884 0.682 1.00 0.00 C ATOM 0 H LEU A 56 1.642 11.325 -0.385 1.00 0.00 H new ATOM 0 HA LEU A 56 3.137 12.617 -2.546 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.961 10.769 -0.279 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.065 11.512 -1.419 1.00 0.00 H new ATOM 0 HG LEU A 56 4.151 13.769 -0.572 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.278 13.729 1.731 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.188 12.896 0.596 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.237 11.951 1.680 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.712 13.753 1.335 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.768 11.975 1.268 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.401 12.937 -0.089 1.00 0.00 H new ATOM 879 N ARG A 57 3.809 10.613 -3.931 1.00 0.00 N ATOM 880 CA ARG A 57 3.947 9.516 -4.880 1.00 0.00 C ATOM 881 C ARG A 57 5.028 8.538 -4.429 1.00 0.00 C ATOM 882 O ARG A 57 6.111 8.947 -4.009 1.00 0.00 O ATOM 883 CB ARG A 57 4.282 10.056 -6.272 1.00 0.00 C ATOM 884 CG ARG A 57 5.728 10.499 -6.421 1.00 0.00 C ATOM 885 CD ARG A 57 6.615 9.357 -6.892 1.00 0.00 C ATOM 886 NE ARG A 57 7.747 9.833 -7.682 1.00 0.00 N ATOM 887 CZ ARG A 57 8.731 10.573 -7.184 1.00 0.00 C ATOM 888 NH1 ARG A 57 8.722 10.920 -5.905 1.00 0.00 N ATOM 889 NH2 ARG A 57 9.727 10.967 -7.967 1.00 0.00 N ATOM 0 H ARG A 57 4.335 11.452 -4.177 1.00 0.00 H new ATOM 0 HA ARG A 57 2.996 8.985 -4.922 1.00 0.00 H new ATOM 0 HB2 ARG A 57 4.069 9.285 -7.013 1.00 0.00 H new ATOM 0 HB3 ARG A 57 3.628 10.899 -6.492 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.786 11.323 -7.132 1.00 0.00 H new ATOM 0 HG3 ARG A 57 6.094 10.876 -5.466 1.00 0.00 H new ATOM 0 HD2 ARG A 57 6.983 8.804 -6.028 1.00 0.00 H new ATOM 0 HD3 ARG A 57 6.024 8.661 -7.488 1.00 0.00 H new ATOM 0 HE ARG A 57 7.784 9.584 -8.670 1.00 0.00 H new ATOM 0 HH11 ARG A 57 7.958 10.619 -5.300 1.00 0.00 H new ATOM 0 HH12 ARG A 57 9.479 11.488 -5.525 1.00 0.00 H new ATOM 0 HH21 ARG A 57 9.737 10.702 -8.952 1.00 0.00 H new ATOM 0 HH22 ARG A 57 10.483 11.535 -7.584 1.00 0.00 H new ATOM 903 N ILE A 58 4.727 7.248 -4.518 1.00 0.00 N ATOM 904 CA ILE A 58 5.673 6.213 -4.120 1.00 0.00 C ATOM 905 C ILE A 58 5.475 4.942 -4.939 1.00 0.00 C ATOM 906 O ILE A 58 4.411 4.723 -5.520 1.00 0.00 O ATOM 907 CB ILE A 58 5.537 5.872 -2.624 1.00 0.00 C ATOM 908 CG1 ILE A 58 4.067 5.658 -2.259 1.00 0.00 C ATOM 909 CG2 ILE A 58 6.145 6.976 -1.772 1.00 0.00 C ATOM 910 CD1 ILE A 58 3.601 4.231 -2.440 1.00 0.00 C ATOM 0 H ILE A 58 3.835 6.894 -4.862 1.00 0.00 H new ATOM 0 HA ILE A 58 6.671 6.610 -4.305 1.00 0.00 H new ATOM 0 HB ILE A 58 6.079 4.947 -2.426 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.912 5.953 -1.221 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.449 6.314 -2.873 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.041 6.721 -0.717 1.00 0.00 H new ATOM 0 HG22 ILE A 58 7.202 7.084 -2.017 1.00 0.00 H new ATOM 0 HG23 ILE A 58 5.628 7.915 -1.970 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.550 4.154 -2.162 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.724 3.938 -3.483 1.00 0.00 H new ATOM 0 HD13 ILE A 58 4.193 3.572 -1.806 1.00 0.00 H new ATOM 922 N THR A 59 6.507 4.105 -4.981 1.00 0.00 N ATOM 923 CA THR A 59 6.447 2.855 -5.728 1.00 0.00 C ATOM 924 C THR A 59 6.165 1.675 -4.805 1.00 0.00 C ATOM 925 O THR A 59 6.870 1.464 -3.818 1.00 0.00 O ATOM 926 CB THR A 59 7.760 2.593 -6.491 1.00 0.00 C ATOM 927 OG1 THR A 59 8.096 3.731 -7.293 1.00 0.00 O ATOM 928 CG2 THR A 59 7.636 1.362 -7.375 1.00 0.00 C ATOM 0 H THR A 59 7.395 4.270 -4.506 1.00 0.00 H new ATOM 0 HA THR A 59 5.632 2.954 -6.445 1.00 0.00 H new ATOM 0 HB THR A 59 8.550 2.418 -5.761 1.00 0.00 H new ATOM 0 HG1 THR A 59 8.932 3.557 -7.773 1.00 0.00 H new ATOM 0 HG21 THR A 59 8.575 1.197 -7.903 1.00 0.00 H new ATOM 0 HG22 THR A 59 7.409 0.492 -6.758 1.00 0.00 H new ATOM 0 HG23 THR A 59 6.834 1.513 -8.098 1.00 0.00 H new ATOM 936 N VAL A 60 5.130 0.908 -5.132 1.00 0.00 N ATOM 937 CA VAL A 60 4.755 -0.252 -4.333 1.00 0.00 C ATOM 938 C VAL A 60 4.850 -1.536 -5.150 1.00 0.00 C ATOM 939 O VAL A 60 4.370 -1.601 -6.282 1.00 0.00 O ATOM 940 CB VAL A 60 3.325 -0.113 -3.778 1.00 0.00 C ATOM 941 CG1 VAL A 60 2.986 -1.290 -2.875 1.00 0.00 C ATOM 942 CG2 VAL A 60 3.169 1.204 -3.033 1.00 0.00 C ATOM 0 H VAL A 60 4.536 1.069 -5.945 1.00 0.00 H new ATOM 0 HA VAL A 60 5.456 -0.303 -3.500 1.00 0.00 H new ATOM 0 HB VAL A 60 2.627 -0.115 -4.615 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.972 -1.175 -2.492 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.056 -2.217 -3.444 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.687 -1.323 -2.041 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.153 1.286 -2.648 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.876 1.239 -2.204 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.367 2.032 -3.713 1.00 0.00 H new ATOM 952 N LYS A 61 5.471 -2.556 -4.568 1.00 0.00 N ATOM 953 CA LYS A 61 5.627 -3.841 -5.241 1.00 0.00 C ATOM 954 C LYS A 61 4.776 -4.913 -4.569 1.00 0.00 C ATOM 955 O LYS A 61 4.937 -5.195 -3.381 1.00 0.00 O ATOM 956 CB LYS A 61 7.098 -4.265 -5.237 1.00 0.00 C ATOM 957 CG LYS A 61 7.781 -4.080 -3.893 1.00 0.00 C ATOM 958 CD LYS A 61 9.173 -4.689 -3.887 1.00 0.00 C ATOM 959 CE LYS A 61 9.132 -6.172 -3.549 1.00 0.00 C ATOM 960 NZ LYS A 61 8.588 -6.415 -2.185 1.00 0.00 N ATOM 0 H LYS A 61 5.875 -2.518 -3.632 1.00 0.00 H new ATOM 0 HA LYS A 61 5.290 -3.728 -6.271 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.166 -5.313 -5.528 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.635 -3.689 -5.990 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.847 -3.017 -3.660 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.178 -4.541 -3.111 1.00 0.00 H new ATOM 0 HD2 LYS A 61 9.636 -4.550 -4.864 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.797 -4.167 -3.162 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.519 -6.695 -4.283 1.00 0.00 H new ATOM 0 HE3 LYS A 61 10.137 -6.588 -3.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 8.879 -7.358 -1.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 8.954 -5.694 -1.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 7.550 -6.363 -2.211 1.00 0.00 H new ATOM 974 N LEU A 62 3.870 -5.509 -5.337 1.00 0.00 N ATOM 975 CA LEU A 62 2.994 -6.553 -4.817 1.00 0.00 C ATOM 976 C LEU A 62 3.470 -7.934 -5.257 1.00 0.00 C ATOM 977 O LEU A 62 3.617 -8.201 -6.451 1.00 0.00 O ATOM 978 CB LEU A 62 1.557 -6.322 -5.288 1.00 0.00 C ATOM 979 CG LEU A 62 1.020 -4.899 -5.131 1.00 0.00 C ATOM 980 CD1 LEU A 62 -0.205 -4.691 -6.008 1.00 0.00 C ATOM 981 CD2 LEU A 62 0.689 -4.612 -3.673 1.00 0.00 C ATOM 0 H LEU A 62 3.723 -5.287 -6.322 1.00 0.00 H new ATOM 0 HA LEU A 62 3.025 -6.509 -3.728 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.492 -6.600 -6.340 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.903 -6.999 -4.739 1.00 0.00 H new ATOM 0 HG LEU A 62 1.794 -4.202 -5.452 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.573 -3.673 -5.883 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.063 -4.855 -7.052 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.984 -5.397 -5.718 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.308 -3.595 -3.580 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.068 -5.316 -3.326 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.589 -4.719 -3.068 1.00 0.00 H new ATOM 993 N THR A 63 3.707 -8.810 -4.286 1.00 0.00 N ATOM 994 CA THR A 63 4.165 -10.163 -4.573 1.00 0.00 C ATOM 995 C THR A 63 3.162 -11.200 -4.080 1.00 0.00 C ATOM 996 O THR A 63 2.934 -11.332 -2.877 1.00 0.00 O ATOM 997 CB THR A 63 5.535 -10.442 -3.926 1.00 0.00 C ATOM 998 OG1 THR A 63 6.484 -9.454 -4.342 1.00 0.00 O ATOM 999 CG2 THR A 63 6.039 -11.827 -4.301 1.00 0.00 C ATOM 0 H THR A 63 3.589 -8.606 -3.294 1.00 0.00 H new ATOM 0 HA THR A 63 4.261 -10.241 -5.656 1.00 0.00 H new ATOM 0 HB THR A 63 5.416 -10.397 -2.843 1.00 0.00 H new ATOM 0 HG1 THR A 63 7.352 -9.638 -3.925 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.008 -12.001 -3.832 1.00 0.00 H new ATOM 0 HG22 THR A 63 5.329 -12.578 -3.956 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.142 -11.896 -5.384 1.00 0.00 H new ATOM 1007 N ILE A 64 2.567 -11.932 -5.015 1.00 0.00 N ATOM 1008 CA ILE A 64 1.589 -12.958 -4.674 1.00 0.00 C ATOM 1009 C ILE A 64 2.249 -14.328 -4.555 1.00 0.00 C ATOM 1010 O ILE A 64 2.861 -14.816 -5.505 1.00 0.00 O ATOM 1011 CB ILE A 64 0.462 -13.032 -5.721 1.00 0.00 C ATOM 1012 CG1 ILE A 64 -0.368 -11.747 -5.700 1.00 0.00 C ATOM 1013 CG2 ILE A 64 -0.421 -14.244 -5.463 1.00 0.00 C ATOM 1014 CD1 ILE A 64 -1.374 -11.696 -4.572 1.00 0.00 C ATOM 0 H ILE A 64 2.745 -11.834 -6.015 1.00 0.00 H new ATOM 0 HA ILE A 64 1.161 -12.679 -3.711 1.00 0.00 H new ATOM 0 HB ILE A 64 0.910 -13.137 -6.709 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.303 -10.892 -5.617 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.894 -11.648 -6.650 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.213 -14.283 -6.211 1.00 0.00 H new ATOM 0 HG22 ILE A 64 0.180 -15.151 -5.523 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.863 -14.167 -4.470 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.926 -10.757 -4.619 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.069 -12.531 -4.666 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.853 -11.763 -3.617 1.00 0.00 H new ATOM 1026 N GLN A 65 2.117 -14.943 -3.384 1.00 0.00 N ATOM 1027 CA GLN A 65 2.700 -16.257 -3.143 1.00 0.00 C ATOM 1028 C GLN A 65 1.829 -17.072 -2.191 1.00 0.00 C ATOM 1029 O GLN A 65 1.315 -16.549 -1.204 1.00 0.00 O ATOM 1030 CB GLN A 65 4.110 -16.116 -2.567 1.00 0.00 C ATOM 1031 CG GLN A 65 4.158 -15.348 -1.256 1.00 0.00 C ATOM 1032 CD GLN A 65 5.560 -14.901 -0.892 1.00 0.00 C ATOM 1033 OE1 GLN A 65 6.096 -15.284 0.149 1.00 0.00 O ATOM 1034 NE2 GLN A 65 6.164 -14.087 -1.750 1.00 0.00 N ATOM 0 H GLN A 65 1.612 -14.553 -2.588 1.00 0.00 H new ATOM 0 HA GLN A 65 2.756 -16.782 -4.097 1.00 0.00 H new ATOM 0 HB2 GLN A 65 4.531 -17.109 -2.412 1.00 0.00 H new ATOM 0 HB3 GLN A 65 4.743 -15.612 -3.297 1.00 0.00 H new ATOM 0 HG2 GLN A 65 3.509 -14.475 -1.327 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.762 -15.975 -0.457 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.683 -13.795 -2.601 1.00 0.00 H new ATOM 0 HE22 GLN A 65 7.109 -13.754 -1.558 1.00 0.00 H new ATOM 1043 N ASN A 66 1.669 -18.355 -2.496 1.00 0.00 N ATOM 1044 CA ASN A 66 0.860 -19.242 -1.669 1.00 0.00 C ATOM 1045 C ASN A 66 -0.490 -18.607 -1.349 1.00 0.00 C ATOM 1046 O ASN A 66 -0.987 -18.712 -0.228 1.00 0.00 O ATOM 1047 CB ASN A 66 1.598 -19.578 -0.371 1.00 0.00 C ATOM 1048 CG ASN A 66 1.211 -20.937 0.179 1.00 0.00 C ATOM 1049 OD1 ASN A 66 1.592 -21.972 -0.368 1.00 0.00 O ATOM 1050 ND2 ASN A 66 0.450 -20.940 1.267 1.00 0.00 N ATOM 0 H ASN A 66 2.089 -18.804 -3.310 1.00 0.00 H new ATOM 0 HA ASN A 66 0.686 -20.161 -2.229 1.00 0.00 H new ATOM 0 HB2 ASN A 66 2.673 -19.555 -0.551 1.00 0.00 H new ATOM 0 HB3 ASN A 66 1.383 -18.813 0.375 1.00 0.00 H new ATOM 0 HD21 ASN A 66 0.158 -21.824 1.683 1.00 0.00 H new ATOM 0 HD22 ASN A 66 0.157 -20.058 1.687 1.00 0.00 H new ATOM 1057 N ARG A 67 -1.078 -17.949 -2.343 1.00 0.00 N ATOM 1058 CA ARG A 67 -2.370 -17.296 -2.168 1.00 0.00 C ATOM 1059 C ARG A 67 -2.295 -16.224 -1.084 1.00 0.00 C ATOM 1060 O ARG A 67 -3.254 -16.012 -0.342 1.00 0.00 O ATOM 1061 CB ARG A 67 -3.442 -18.326 -1.808 1.00 0.00 C ATOM 1062 CG ARG A 67 -3.765 -19.289 -2.939 1.00 0.00 C ATOM 1063 CD ARG A 67 -4.494 -20.522 -2.430 1.00 0.00 C ATOM 1064 NE ARG A 67 -5.106 -21.284 -3.515 1.00 0.00 N ATOM 1065 CZ ARG A 67 -4.429 -22.104 -4.311 1.00 0.00 C ATOM 1066 NH1 ARG A 67 -3.124 -22.268 -4.143 1.00 0.00 N ATOM 1067 NH2 ARG A 67 -5.056 -22.762 -5.277 1.00 0.00 N ATOM 0 H ARG A 67 -0.680 -17.854 -3.277 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.637 -16.818 -3.110 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -3.109 -18.896 -0.940 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.353 -17.803 -1.516 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -4.379 -18.784 -3.684 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -2.843 -19.590 -3.437 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -3.794 -21.159 -1.890 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -5.264 -20.220 -1.720 1.00 0.00 H new ATOM 0 HE ARG A 67 -6.109 -21.181 -3.670 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -2.638 -21.764 -3.401 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -2.606 -22.898 -4.755 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -6.060 -22.639 -5.410 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -4.534 -23.391 -5.887 1.00 0.00 H new ATOM 1081 N GLN A 68 -1.151 -15.554 -1.000 1.00 0.00 N ATOM 1082 CA GLN A 68 -0.951 -14.506 -0.006 1.00 0.00 C ATOM 1083 C GLN A 68 -0.495 -13.209 -0.666 1.00 0.00 C ATOM 1084 O GLN A 68 0.315 -13.224 -1.593 1.00 0.00 O ATOM 1085 CB GLN A 68 0.077 -14.951 1.036 1.00 0.00 C ATOM 1086 CG GLN A 68 0.221 -13.984 2.200 1.00 0.00 C ATOM 1087 CD GLN A 68 -0.937 -14.068 3.175 1.00 0.00 C ATOM 1088 OE1 GLN A 68 -1.873 -14.844 2.980 1.00 0.00 O ATOM 1089 NE2 GLN A 68 -0.880 -13.267 4.233 1.00 0.00 N ATOM 0 H GLN A 68 -0.348 -15.718 -1.608 1.00 0.00 H new ATOM 0 HA GLN A 68 -1.905 -14.324 0.490 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -0.209 -15.930 1.421 1.00 0.00 H new ATOM 0 HB3 GLN A 68 1.046 -15.069 0.551 1.00 0.00 H new ATOM 0 HG2 GLN A 68 1.151 -14.193 2.728 1.00 0.00 H new ATOM 0 HG3 GLN A 68 0.294 -12.967 1.815 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -0.085 -12.639 4.355 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -1.631 -13.280 4.923 1.00 0.00 H new ATOM 1098 N ALA A 69 -1.021 -12.088 -0.183 1.00 0.00 N ATOM 1099 CA ALA A 69 -0.667 -10.782 -0.726 1.00 0.00 C ATOM 1100 C ALA A 69 0.210 -10.003 0.248 1.00 0.00 C ATOM 1101 O ALA A 69 -0.046 -9.989 1.452 1.00 0.00 O ATOM 1102 CB ALA A 69 -1.922 -9.991 -1.059 1.00 0.00 C ATOM 0 H ALA A 69 -1.694 -12.058 0.583 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.097 -10.939 -1.642 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.642 -9.018 -1.463 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.510 -10.536 -1.798 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.515 -9.851 -0.155 1.00 0.00 H new ATOM 1108 N GLN A 70 1.243 -9.355 -0.280 1.00 0.00 N ATOM 1109 CA GLN A 70 2.158 -8.575 0.544 1.00 0.00 C ATOM 1110 C GLN A 70 2.355 -7.177 -0.034 1.00 0.00 C ATOM 1111 O GLN A 70 2.423 -7.004 -1.251 1.00 0.00 O ATOM 1112 CB GLN A 70 3.507 -9.286 0.661 1.00 0.00 C ATOM 1113 CG GLN A 70 3.583 -10.259 1.826 1.00 0.00 C ATOM 1114 CD GLN A 70 4.678 -11.293 1.653 1.00 0.00 C ATOM 1115 OE1 GLN A 70 5.835 -10.953 1.403 1.00 0.00 O ATOM 1116 NE2 GLN A 70 4.319 -12.564 1.786 1.00 0.00 N ATOM 0 H GLN A 70 1.467 -9.355 -1.275 1.00 0.00 H new ATOM 0 HA GLN A 70 1.719 -8.479 1.537 1.00 0.00 H new ATOM 0 HB2 GLN A 70 3.706 -9.825 -0.265 1.00 0.00 H new ATOM 0 HB3 GLN A 70 4.294 -8.539 0.770 1.00 0.00 H new ATOM 0 HG2 GLN A 70 3.756 -9.703 2.748 1.00 0.00 H new ATOM 0 HG3 GLN A 70 2.624 -10.766 1.934 1.00 0.00 H new ATOM 0 HE21 GLN A 70 3.349 -12.801 1.993 1.00 0.00 H new ATOM 0 HE22 GLN A 70 5.013 -13.304 1.681 1.00 0.00 H new ATOM 1125 N ILE A 71 2.445 -6.186 0.845 1.00 0.00 N ATOM 1126 CA ILE A 71 2.635 -4.804 0.421 1.00 0.00 C ATOM 1127 C ILE A 71 3.911 -4.217 1.015 1.00 0.00 C ATOM 1128 O ILE A 71 4.170 -4.352 2.210 1.00 0.00 O ATOM 1129 CB ILE A 71 1.440 -3.921 0.826 1.00 0.00 C ATOM 1130 CG1 ILE A 71 1.165 -4.054 2.325 1.00 0.00 C ATOM 1131 CG2 ILE A 71 0.206 -4.298 0.021 1.00 0.00 C ATOM 1132 CD1 ILE A 71 0.116 -3.091 2.835 1.00 0.00 C ATOM 0 H ILE A 71 2.389 -6.314 1.855 1.00 0.00 H new ATOM 0 HA ILE A 71 2.715 -4.816 -0.666 1.00 0.00 H new ATOM 0 HB ILE A 71 1.686 -2.881 0.611 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.845 -5.074 2.538 1.00 0.00 H new ATOM 0 HG13 ILE A 71 2.093 -3.891 2.872 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -0.630 -3.665 0.319 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.407 -4.157 -1.041 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -0.045 -5.342 0.207 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.027 -3.242 3.905 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.443 -2.067 2.654 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.825 -3.269 2.314 1.00 0.00 H new ATOM 1144 N GLU A 72 4.704 -3.564 0.171 1.00 0.00 N ATOM 1145 CA GLU A 72 5.953 -2.955 0.613 1.00 0.00 C ATOM 1146 C GLU A 72 6.311 -1.754 -0.257 1.00 0.00 C ATOM 1147 O GLU A 72 6.114 -1.773 -1.472 1.00 0.00 O ATOM 1148 CB GLU A 72 7.087 -3.981 0.578 1.00 0.00 C ATOM 1149 CG GLU A 72 8.323 -3.550 1.350 1.00 0.00 C ATOM 1150 CD GLU A 72 9.529 -4.420 1.053 1.00 0.00 C ATOM 1151 OE1 GLU A 72 9.763 -4.727 -0.134 1.00 0.00 O ATOM 1152 OE2 GLU A 72 10.239 -4.794 2.010 1.00 0.00 O ATOM 0 H GLU A 72 4.504 -3.443 -0.822 1.00 0.00 H new ATOM 0 HA GLU A 72 5.816 -2.611 1.638 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.725 -4.924 0.986 1.00 0.00 H new ATOM 0 HB3 GLU A 72 7.364 -4.168 -0.459 1.00 0.00 H new ATOM 0 HG2 GLU A 72 8.557 -2.514 1.104 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.110 -3.584 2.418 1.00 0.00 H new ATOM 1159 N VAL A 73 6.839 -0.710 0.373 1.00 0.00 N ATOM 1160 CA VAL A 73 7.226 0.500 -0.342 1.00 0.00 C ATOM 1161 C VAL A 73 8.740 0.592 -0.488 1.00 0.00 C ATOM 1162 O VAL A 73 9.476 0.498 0.494 1.00 0.00 O ATOM 1163 CB VAL A 73 6.712 1.764 0.373 1.00 0.00 C ATOM 1164 CG1 VAL A 73 7.071 3.010 -0.422 1.00 0.00 C ATOM 1165 CG2 VAL A 73 5.209 1.677 0.594 1.00 0.00 C ATOM 0 H VAL A 73 7.009 -0.678 1.378 1.00 0.00 H new ATOM 0 HA VAL A 73 6.772 0.441 -1.331 1.00 0.00 H new ATOM 0 HB VAL A 73 7.196 1.832 1.347 1.00 0.00 H new ATOM 0 HG11 VAL A 73 6.700 3.893 0.098 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.154 3.077 -0.524 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.617 2.954 -1.411 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.863 2.578 1.100 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.705 1.585 -0.368 1.00 0.00 H new ATOM 0 HG23 VAL A 73 4.981 0.806 1.208 1.00 0.00 H new ATOM 1175 N VAL A 74 9.201 0.777 -1.721 1.00 0.00 N ATOM 1176 CA VAL A 74 10.629 0.884 -1.996 1.00 0.00 C ATOM 1177 C VAL A 74 11.123 2.311 -1.790 1.00 0.00 C ATOM 1178 O VAL A 74 10.418 3.284 -2.058 1.00 0.00 O ATOM 1179 CB VAL A 74 10.958 0.441 -3.434 1.00 0.00 C ATOM 1180 CG1 VAL A 74 10.497 -0.988 -3.672 1.00 0.00 C ATOM 1181 CG2 VAL A 74 10.323 1.389 -4.441 1.00 0.00 C ATOM 0 H VAL A 74 8.606 0.856 -2.546 1.00 0.00 H new ATOM 0 HA VAL A 74 11.137 0.222 -1.294 1.00 0.00 H new ATOM 0 HB VAL A 74 12.039 0.475 -3.568 1.00 0.00 H new ATOM 0 HG11 VAL A 74 10.738 -1.283 -4.693 1.00 0.00 H new ATOM 0 HG12 VAL A 74 11.002 -1.654 -2.973 1.00 0.00 H new ATOM 0 HG13 VAL A 74 9.420 -1.053 -3.521 1.00 0.00 H new ATOM 0 HG21 VAL A 74 10.565 1.062 -5.452 1.00 0.00 H new ATOM 0 HG22 VAL A 74 9.241 1.389 -4.309 1.00 0.00 H new ATOM 0 HG23 VAL A 74 10.707 2.397 -4.284 1.00 0.00 H new ATOM 1191 N PRO A 75 12.365 2.442 -1.301 1.00 0.00 N ATOM 1192 CA PRO A 75 12.983 3.747 -1.048 1.00 0.00 C ATOM 1193 C PRO A 75 13.306 4.495 -2.337 1.00 0.00 C ATOM 1194 O PRO A 75 13.449 3.889 -3.399 1.00 0.00 O ATOM 1195 CB PRO A 75 14.270 3.391 -0.300 1.00 0.00 C ATOM 1196 CG PRO A 75 14.587 2.001 -0.732 1.00 0.00 C ATOM 1197 CD PRO A 75 13.263 1.326 -0.959 1.00 0.00 C ATOM 0 HA PRO A 75 12.320 4.411 -0.492 1.00 0.00 H new ATOM 0 HB2 PRO A 75 15.078 4.078 -0.553 1.00 0.00 H new ATOM 0 HB3 PRO A 75 14.129 3.448 0.779 1.00 0.00 H new ATOM 0 HG2 PRO A 75 15.186 2.002 -1.643 1.00 0.00 H new ATOM 0 HG3 PRO A 75 15.166 1.478 0.029 1.00 0.00 H new ATOM 0 HD2 PRO A 75 13.318 0.594 -1.764 1.00 0.00 H new ATOM 0 HD3 PRO A 75 12.924 0.796 -0.069 1.00 0.00 H new