USER MOD reduce.3.24.130724 H: found=0, std=0, add=398, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 399 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 16 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -160:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 MET CE :methyl 141:sc= -3.23! (180deg=-9.8!) USER MOD Single : A 32 THR OG1 : rot 133:sc= -0.5! USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot 77:sc= -2.5 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.487 K(o=-0.49,f=-1.4) USER MOD Single : A 53 CYS SG : rot -167:sc= 1.06 USER MOD Single : A 58 THR OG1 : rot 79:sc= 1.18 USER MOD Single : A 62 ASN : amide:sc= -1.42 K(o=-1.4,f=-5.3!) USER MOD ----------------------------------------------------------------- ATOM 179 N PHE A 15 -8.987 4.081 2.087 1.00 0.00 N ATOM 180 CA PHE A 15 -8.418 3.266 3.154 1.00 0.00 C ATOM 181 C PHE A 15 -8.779 3.833 4.523 1.00 0.00 C ATOM 182 O PHE A 15 -8.787 5.048 4.721 1.00 0.00 O ATOM 183 CB PHE A 15 -6.897 3.184 3.008 1.00 0.00 C ATOM 184 CG PHE A 15 -6.446 2.181 1.985 1.00 0.00 C ATOM 185 CD1 PHE A 15 -6.516 2.472 0.632 1.00 0.00 C ATOM 186 CD2 PHE A 15 -5.953 0.947 2.377 1.00 0.00 C ATOM 187 CE1 PHE A 15 -6.101 1.551 -0.312 1.00 0.00 C ATOM 188 CE2 PHE A 15 -5.536 0.023 1.438 1.00 0.00 C ATOM 189 CZ PHE A 15 -5.611 0.324 0.092 1.00 0.00 C ATOM 0 HA PHE A 15 -8.838 2.263 3.073 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -6.513 4.167 2.735 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -6.461 2.928 3.973 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -6.899 3.429 0.311 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -5.894 0.705 3.428 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -6.160 1.790 -1.364 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -5.151 -0.935 1.757 1.00 0.00 H new ATOM 0 HZ PHE A 15 -5.287 -0.398 -0.643 1.00 0.00 H new ATOM 199 N SER A 16 -9.078 2.944 5.466 1.00 0.00 N ATOM 200 CA SER A 16 -9.444 3.356 6.816 1.00 0.00 C ATOM 201 C SER A 16 -8.221 3.845 7.585 1.00 0.00 C ATOM 202 O SER A 16 -7.135 3.278 7.471 1.00 0.00 O ATOM 203 CB SER A 16 -10.101 2.195 7.565 1.00 0.00 C ATOM 204 OG SER A 16 -11.472 2.078 7.224 1.00 0.00 O ATOM 0 H SER A 16 -9.074 1.935 5.320 1.00 0.00 H new ATOM 0 HA SER A 16 -10.155 4.178 6.738 1.00 0.00 H new ATOM 0 HB2 SER A 16 -9.583 1.266 7.327 1.00 0.00 H new ATOM 0 HB3 SER A 16 -10.002 2.349 8.640 1.00 0.00 H new ATOM 0 HG SER A 16 -11.868 1.328 7.715 1.00 0.00 H new ATOM 210 N ASP A 17 -8.407 4.902 8.369 1.00 0.00 N ATOM 211 CA ASP A 17 -7.320 5.469 9.159 1.00 0.00 C ATOM 212 C ASP A 17 -6.442 4.367 9.743 1.00 0.00 C ATOM 213 O ASP A 17 -5.216 4.416 9.639 1.00 0.00 O ATOM 214 CB ASP A 17 -7.880 6.342 10.282 1.00 0.00 C ATOM 215 CG ASP A 17 -8.746 7.472 9.761 1.00 0.00 C ATOM 216 OD1 ASP A 17 -9.923 7.215 9.431 1.00 0.00 O ATOM 217 OD2 ASP A 17 -8.247 8.614 9.683 1.00 0.00 O ATOM 0 H ASP A 17 -9.300 5.383 8.474 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.708 6.086 8.501 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -8.466 5.723 10.961 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -7.055 6.758 10.861 1.00 0.00 H new ATOM 222 N ARG A 18 -7.077 3.376 10.360 1.00 0.00 N ATOM 223 CA ARG A 18 -6.353 2.263 10.963 1.00 0.00 C ATOM 224 C ARG A 18 -5.505 1.538 9.922 1.00 0.00 C ATOM 225 O ARG A 18 -4.302 1.353 10.107 1.00 0.00 O ATOM 226 CB ARG A 18 -7.331 1.283 11.613 1.00 0.00 C ATOM 227 CG ARG A 18 -7.951 1.804 12.899 1.00 0.00 C ATOM 228 CD ARG A 18 -8.613 0.687 13.691 1.00 0.00 C ATOM 229 NE ARG A 18 -7.643 -0.292 14.174 1.00 0.00 N ATOM 230 CZ ARG A 18 -7.863 -1.097 15.206 1.00 0.00 C ATOM 231 NH1 ARG A 18 -9.015 -1.042 15.861 1.00 0.00 N ATOM 232 NH2 ARG A 18 -6.931 -1.962 15.586 1.00 0.00 N ATOM 0 H ARG A 18 -8.091 3.321 10.456 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.690 2.666 11.729 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -8.126 1.052 10.904 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.810 0.349 11.823 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -7.182 2.278 13.509 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -8.689 2.571 12.664 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -9.150 1.113 14.538 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.351 0.187 13.064 1.00 0.00 H new ATOM 0 HE ARG A 18 -6.747 -0.361 13.692 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -9.735 -0.380 15.572 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -9.181 -1.662 16.654 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.044 -2.009 15.085 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -7.102 -2.580 16.379 1.00 0.00 H new ATOM 246 N ASP A 19 -6.141 1.129 8.830 1.00 0.00 N ATOM 247 CA ASP A 19 -5.445 0.424 7.759 1.00 0.00 C ATOM 248 C ASP A 19 -4.243 1.226 7.272 1.00 0.00 C ATOM 249 O ASP A 19 -3.129 0.708 7.189 1.00 0.00 O ATOM 250 CB ASP A 19 -6.399 0.152 6.595 1.00 0.00 C ATOM 251 CG ASP A 19 -7.379 -0.965 6.898 1.00 0.00 C ATOM 252 OD1 ASP A 19 -6.956 -1.981 7.490 1.00 0.00 O ATOM 253 OD2 ASP A 19 -8.567 -0.824 6.543 1.00 0.00 O ATOM 0 H ASP A 19 -7.137 1.273 8.663 1.00 0.00 H new ATOM 0 HA ASP A 19 -5.088 -0.527 8.155 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.951 1.062 6.361 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -5.821 -0.107 5.708 1.00 0.00 H new ATOM 258 N LEU A 20 -4.476 2.494 6.949 1.00 0.00 N ATOM 259 CA LEU A 20 -3.413 3.369 6.468 1.00 0.00 C ATOM 260 C LEU A 20 -2.202 3.315 7.394 1.00 0.00 C ATOM 261 O LEU A 20 -1.079 3.076 6.951 1.00 0.00 O ATOM 262 CB LEU A 20 -3.920 4.808 6.357 1.00 0.00 C ATOM 263 CG LEU A 20 -4.694 5.150 5.083 1.00 0.00 C ATOM 264 CD1 LEU A 20 -5.371 6.505 5.218 1.00 0.00 C ATOM 265 CD2 LEU A 20 -3.768 5.132 3.876 1.00 0.00 C ATOM 0 H LEU A 20 -5.392 2.939 7.012 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.109 3.020 5.481 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.561 5.013 7.214 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.065 5.480 6.430 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.466 4.394 4.935 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.917 6.732 4.302 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -6.065 6.483 6.058 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.617 7.273 5.390 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.335 5.378 2.978 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.974 5.866 4.015 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.330 4.140 3.768 1.00 0.00 H new ATOM 277 N ALA A 21 -2.440 3.536 8.683 1.00 0.00 N ATOM 278 CA ALA A 21 -1.370 3.508 9.673 1.00 0.00 C ATOM 279 C ALA A 21 -0.327 2.451 9.324 1.00 0.00 C ATOM 280 O ALA A 21 0.875 2.720 9.341 1.00 0.00 O ATOM 281 CB ALA A 21 -1.940 3.252 11.060 1.00 0.00 C ATOM 0 H ALA A 21 -3.364 3.736 9.066 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.879 4.481 9.668 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.130 3.234 11.789 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.642 4.046 11.317 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.458 2.293 11.069 1.00 0.00 H new ATOM 287 N THR A 22 -0.794 1.247 9.009 1.00 0.00 N ATOM 288 CA THR A 22 0.098 0.149 8.658 1.00 0.00 C ATOM 289 C THR A 22 0.893 0.467 7.397 1.00 0.00 C ATOM 290 O THR A 22 2.124 0.422 7.399 1.00 0.00 O ATOM 291 CB THR A 22 -0.683 -1.161 8.443 1.00 0.00 C ATOM 292 OG1 THR A 22 -1.401 -1.506 9.633 1.00 0.00 O ATOM 293 CG2 THR A 22 0.259 -2.296 8.066 1.00 0.00 C ATOM 0 H THR A 22 -1.785 1.008 8.990 1.00 0.00 H new ATOM 0 HA THR A 22 0.786 0.021 9.494 1.00 0.00 H new ATOM 0 HB THR A 22 -1.388 -1.007 7.626 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.627 -2.459 9.614 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.314 -3.211 7.919 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.782 -2.044 7.144 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.985 -2.447 8.865 1.00 0.00 H new ATOM 301 N LEU A 23 0.183 0.790 6.322 1.00 0.00 N ATOM 302 CA LEU A 23 0.823 1.118 5.053 1.00 0.00 C ATOM 303 C LEU A 23 1.867 2.214 5.236 1.00 0.00 C ATOM 304 O LEU A 23 3.052 2.009 4.971 1.00 0.00 O ATOM 305 CB LEU A 23 -0.225 1.561 4.030 1.00 0.00 C ATOM 306 CG LEU A 23 -0.835 0.454 3.170 1.00 0.00 C ATOM 307 CD1 LEU A 23 -2.066 0.964 2.437 1.00 0.00 C ATOM 308 CD2 LEU A 23 0.192 -0.082 2.184 1.00 0.00 C ATOM 0 H LEU A 23 -0.836 0.832 6.304 1.00 0.00 H new ATOM 0 HA LEU A 23 1.325 0.223 4.686 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.031 2.066 4.562 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.231 2.297 3.368 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.140 -0.362 3.825 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.486 0.162 1.830 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.809 1.298 3.162 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.787 1.798 1.793 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.260 -0.869 1.580 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.529 0.726 1.534 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.044 -0.487 2.730 1.00 0.00 H new ATOM 320 N LYS A 24 1.420 3.379 5.694 1.00 0.00 N ATOM 321 CA LYS A 24 2.316 4.508 5.917 1.00 0.00 C ATOM 322 C LYS A 24 3.548 4.077 6.706 1.00 0.00 C ATOM 323 O LYS A 24 4.657 4.550 6.452 1.00 0.00 O ATOM 324 CB LYS A 24 1.584 5.626 6.664 1.00 0.00 C ATOM 325 CG LYS A 24 2.118 7.014 6.356 1.00 0.00 C ATOM 326 CD LYS A 24 1.904 7.965 7.522 1.00 0.00 C ATOM 327 CE LYS A 24 0.440 8.353 7.663 1.00 0.00 C ATOM 328 NZ LYS A 24 0.219 9.274 8.812 1.00 0.00 N ATOM 0 H LYS A 24 0.443 3.566 5.918 1.00 0.00 H new ATOM 0 HA LYS A 24 2.641 4.880 4.945 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.525 5.589 6.410 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.661 5.446 7.736 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.182 6.953 6.126 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.622 7.407 5.469 1.00 0.00 H new ATOM 0 HD2 LYS A 24 2.247 7.495 8.444 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.507 8.861 7.377 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.101 8.831 6.744 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.163 7.455 7.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.791 9.515 8.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.519 8.809 9.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.774 10.142 8.673 1.00 0.00 H new ATOM 342 N LYS A 25 3.348 3.177 7.662 1.00 0.00 N ATOM 343 CA LYS A 25 4.443 2.680 8.487 1.00 0.00 C ATOM 344 C LYS A 25 5.569 2.125 7.619 1.00 0.00 C ATOM 345 O LYS A 25 6.743 2.418 7.847 1.00 0.00 O ATOM 346 CB LYS A 25 3.938 1.595 9.441 1.00 0.00 C ATOM 347 CG LYS A 25 4.920 1.256 10.550 1.00 0.00 C ATOM 348 CD LYS A 25 4.349 0.218 11.502 1.00 0.00 C ATOM 349 CE LYS A 25 5.446 -0.636 12.118 1.00 0.00 C ATOM 350 NZ LYS A 25 5.842 -1.759 11.224 1.00 0.00 N ATOM 0 H LYS A 25 2.437 2.776 7.885 1.00 0.00 H new ATOM 0 HA LYS A 25 4.834 3.514 9.070 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.999 1.923 9.886 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.722 0.692 8.870 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.847 0.881 10.115 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.171 2.160 11.104 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.788 0.717 12.292 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.646 -0.421 10.967 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.316 -0.014 12.327 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.103 -1.035 13.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.592 -2.318 11.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.018 -2.367 11.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.194 -1.378 10.323 1.00 0.00 H new ATOM 364 N TYR A 26 5.203 1.324 6.625 1.00 0.00 N ATOM 365 CA TYR A 26 6.182 0.728 5.724 1.00 0.00 C ATOM 366 C TYR A 26 6.817 1.789 4.830 1.00 0.00 C ATOM 367 O TYR A 26 8.007 1.724 4.519 1.00 0.00 O ATOM 368 CB TYR A 26 5.524 -0.352 4.864 1.00 0.00 C ATOM 369 CG TYR A 26 5.380 -1.682 5.567 1.00 0.00 C ATOM 370 CD1 TYR A 26 4.429 -1.864 6.563 1.00 0.00 C ATOM 371 CD2 TYR A 26 6.195 -2.758 5.235 1.00 0.00 C ATOM 372 CE1 TYR A 26 4.295 -3.078 7.209 1.00 0.00 C ATOM 373 CE2 TYR A 26 6.067 -3.975 5.875 1.00 0.00 C ATOM 374 CZ TYR A 26 5.116 -4.130 6.862 1.00 0.00 C ATOM 375 OH TYR A 26 4.984 -5.341 7.502 1.00 0.00 O ATOM 0 H TYR A 26 4.235 1.072 6.423 1.00 0.00 H new ATOM 0 HA TYR A 26 6.966 0.273 6.330 1.00 0.00 H new ATOM 0 HB2 TYR A 26 4.538 -0.006 4.553 1.00 0.00 H new ATOM 0 HB3 TYR A 26 6.113 -0.492 3.958 1.00 0.00 H new ATOM 0 HD1 TYR A 26 3.783 -1.043 6.837 1.00 0.00 H new ATOM 0 HD2 TYR A 26 6.941 -2.640 4.463 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.551 -3.202 7.982 1.00 0.00 H new ATOM 0 HE2 TYR A 26 6.708 -4.801 5.604 1.00 0.00 H new ATOM 0 HH TYR A 26 5.637 -5.976 7.139 1.00 0.00 H new ATOM 385 N TRP A 27 6.016 2.766 4.422 1.00 0.00 N ATOM 386 CA TRP A 27 6.498 3.842 3.564 1.00 0.00 C ATOM 387 C TRP A 27 7.749 4.486 4.151 1.00 0.00 C ATOM 388 O TRP A 27 8.628 4.939 3.416 1.00 0.00 O ATOM 389 CB TRP A 27 5.408 4.898 3.374 1.00 0.00 C ATOM 390 CG TRP A 27 5.899 6.145 2.704 1.00 0.00 C ATOM 391 CD1 TRP A 27 6.759 7.070 3.223 1.00 0.00 C ATOM 392 CD2 TRP A 27 5.558 6.605 1.391 1.00 0.00 C ATOM 393 NE1 TRP A 27 6.973 8.077 2.312 1.00 0.00 N ATOM 394 CE2 TRP A 27 6.248 7.814 1.180 1.00 0.00 C ATOM 395 CE3 TRP A 27 4.738 6.111 0.373 1.00 0.00 C ATOM 396 CZ2 TRP A 27 6.141 8.535 -0.006 1.00 0.00 C ATOM 397 CZ3 TRP A 27 4.632 6.828 -0.804 1.00 0.00 C ATOM 398 CH2 TRP A 27 5.331 8.028 -0.986 1.00 0.00 C ATOM 0 H TRP A 27 5.029 2.835 4.671 1.00 0.00 H new ATOM 0 HA TRP A 27 6.752 3.414 2.594 1.00 0.00 H new ATOM 0 HB2 TRP A 27 4.598 4.471 2.782 1.00 0.00 H new ATOM 0 HB3 TRP A 27 4.990 5.157 4.347 1.00 0.00 H new ATOM 0 HD1 TRP A 27 7.206 7.018 4.205 1.00 0.00 H new ATOM 0 HE1 TRP A 27 7.574 8.888 2.456 1.00 0.00 H new ATOM 0 HE3 TRP A 27 4.197 5.186 0.504 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 6.678 9.461 -0.148 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 3.999 6.457 -1.597 1.00 0.00 H new ATOM 0 HH2 TRP A 27 5.229 8.564 -1.918 1.00 0.00 H new ATOM 409 N ASP A 28 7.824 4.524 5.476 1.00 0.00 N ATOM 410 CA ASP A 28 8.970 5.111 6.161 1.00 0.00 C ATOM 411 C ASP A 28 10.273 4.478 5.683 1.00 0.00 C ATOM 412 O ASP A 28 11.335 5.095 5.749 1.00 0.00 O ATOM 413 CB ASP A 28 8.830 4.939 7.675 1.00 0.00 C ATOM 414 CG ASP A 28 10.170 4.933 8.383 1.00 0.00 C ATOM 415 OD1 ASP A 28 11.030 5.768 8.032 1.00 0.00 O ATOM 416 OD2 ASP A 28 10.360 4.093 9.288 1.00 0.00 O ATOM 0 H ASP A 28 7.105 4.155 6.098 1.00 0.00 H new ATOM 0 HA ASP A 28 8.996 6.175 5.925 1.00 0.00 H new ATOM 0 HB2 ASP A 28 8.215 5.746 8.074 1.00 0.00 H new ATOM 0 HB3 ASP A 28 8.307 4.006 7.885 1.00 0.00 H new ATOM 421 N ASN A 29 10.182 3.242 5.202 1.00 0.00 N ATOM 422 CA ASN A 29 11.354 2.524 4.715 1.00 0.00 C ATOM 423 C ASN A 29 11.508 2.695 3.206 1.00 0.00 C ATOM 424 O ASN A 29 12.062 1.833 2.526 1.00 0.00 O ATOM 425 CB ASN A 29 11.249 1.038 5.062 1.00 0.00 C ATOM 426 CG ASN A 29 11.862 0.715 6.411 1.00 0.00 C ATOM 427 OD1 ASN A 29 13.082 0.619 6.544 1.00 0.00 O ATOM 428 ND2 ASN A 29 11.015 0.545 7.420 1.00 0.00 N ATOM 0 H ASN A 29 9.309 2.717 5.139 1.00 0.00 H new ATOM 0 HA ASN A 29 12.234 2.943 5.203 1.00 0.00 H new ATOM 0 HB2 ASN A 29 10.200 0.741 5.062 1.00 0.00 H new ATOM 0 HB3 ASN A 29 11.747 0.451 4.290 1.00 0.00 H new ATOM 0 HD21 ASN A 29 11.369 0.325 8.351 1.00 0.00 H new ATOM 0 HD22 ASN A 29 10.011 0.634 7.264 1.00 0.00 H new ATOM 435 N GLY A 30 11.014 3.816 2.690 1.00 0.00 N ATOM 436 CA GLY A 30 11.107 4.081 1.266 1.00 0.00 C ATOM 437 C GLY A 30 10.221 3.163 0.446 1.00 0.00 C ATOM 438 O GLY A 30 10.423 3.009 -0.758 1.00 0.00 O ATOM 0 H GLY A 30 10.551 4.545 3.232 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.828 5.117 1.073 1.00 0.00 H new ATOM 0 HA3 GLY A 30 12.142 3.964 0.945 1.00 0.00 H new ATOM 442 N MET A 31 9.240 2.551 1.101 1.00 0.00 N ATOM 443 CA MET A 31 8.321 1.643 0.424 1.00 0.00 C ATOM 444 C MET A 31 7.667 2.324 -0.774 1.00 0.00 C ATOM 445 O MET A 31 7.201 1.661 -1.701 1.00 0.00 O ATOM 446 CB MET A 31 7.247 1.153 1.397 1.00 0.00 C ATOM 447 CG MET A 31 6.721 -0.236 1.071 1.00 0.00 C ATOM 448 SD MET A 31 5.020 -0.480 1.617 1.00 0.00 S ATOM 449 CE MET A 31 4.201 0.884 0.795 1.00 0.00 C ATOM 0 H MET A 31 9.061 2.667 2.098 1.00 0.00 H new ATOM 0 HA MET A 31 8.893 0.788 0.064 1.00 0.00 H new ATOM 0 HB2 MET A 31 7.657 1.150 2.407 1.00 0.00 H new ATOM 0 HB3 MET A 31 6.416 1.858 1.393 1.00 0.00 H new ATOM 0 HG2 MET A 31 6.780 -0.399 -0.005 1.00 0.00 H new ATOM 0 HG3 MET A 31 7.360 -0.982 1.542 1.00 0.00 H new ATOM 0 HE1 MET A 31 3.227 0.557 0.431 1.00 0.00 H new ATOM 0 HE2 MET A 31 4.069 1.706 1.498 1.00 0.00 H new ATOM 0 HE3 MET A 31 4.808 1.220 -0.045 1.00 0.00 H new ATOM 459 N THR A 32 7.634 3.653 -0.748 1.00 0.00 N ATOM 460 CA THR A 32 7.036 4.424 -1.831 1.00 0.00 C ATOM 461 C THR A 32 7.446 3.871 -3.191 1.00 0.00 C ATOM 462 O THR A 32 6.706 3.988 -4.168 1.00 0.00 O ATOM 463 CB THR A 32 7.436 5.909 -1.751 1.00 0.00 C ATOM 464 OG1 THR A 32 6.981 6.602 -2.918 1.00 0.00 O ATOM 465 CG2 THR A 32 8.944 6.057 -1.623 1.00 0.00 C ATOM 0 H THR A 32 8.015 4.218 0.011 1.00 0.00 H new ATOM 0 HA THR A 32 5.955 4.340 -1.719 1.00 0.00 H new ATOM 0 HB THR A 32 6.968 6.341 -0.867 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.546 7.439 -2.653 1.00 0.00 H new ATOM 0 HG21 THR A 32 9.202 7.114 -1.568 1.00 0.00 H new ATOM 0 HG22 THR A 32 9.284 5.553 -0.718 1.00 0.00 H new ATOM 0 HG23 THR A 32 9.428 5.610 -2.491 1.00 0.00 H new ATOM 473 N SER A 33 8.629 3.267 -3.247 1.00 0.00 N ATOM 474 CA SER A 33 9.138 2.699 -4.489 1.00 0.00 C ATOM 475 C SER A 33 8.324 1.477 -4.902 1.00 0.00 C ATOM 476 O SER A 33 7.854 0.715 -4.056 1.00 0.00 O ATOM 477 CB SER A 33 10.611 2.316 -4.333 1.00 0.00 C ATOM 478 OG SER A 33 11.442 3.464 -4.351 1.00 0.00 O ATOM 0 H SER A 33 9.252 3.159 -2.447 1.00 0.00 H new ATOM 0 HA SER A 33 9.047 3.455 -5.269 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.752 1.776 -3.397 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.901 1.641 -5.138 1.00 0.00 H new ATOM 0 HG SER A 33 12.378 3.192 -4.248 1.00 0.00 H new ATOM 484 N LEU A 34 8.162 1.295 -6.208 1.00 0.00 N ATOM 485 CA LEU A 34 7.404 0.165 -6.735 1.00 0.00 C ATOM 486 C LEU A 34 8.336 -0.968 -7.151 1.00 0.00 C ATOM 487 O LEU A 34 8.022 -2.143 -6.964 1.00 0.00 O ATOM 488 CB LEU A 34 6.556 0.607 -7.929 1.00 0.00 C ATOM 489 CG LEU A 34 5.156 1.129 -7.601 1.00 0.00 C ATOM 490 CD1 LEU A 34 4.528 1.778 -8.825 1.00 0.00 C ATOM 491 CD2 LEU A 34 4.275 0.003 -7.081 1.00 0.00 C ATOM 0 H LEU A 34 8.545 1.915 -6.921 1.00 0.00 H new ATOM 0 HA LEU A 34 6.747 -0.200 -5.946 1.00 0.00 H new ATOM 0 HB2 LEU A 34 7.097 1.387 -8.464 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.457 -0.237 -8.611 1.00 0.00 H new ATOM 0 HG LEU A 34 5.245 1.884 -6.820 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.533 2.143 -8.573 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.148 2.612 -9.153 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.453 1.044 -9.628 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.283 0.393 -6.853 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.193 -0.775 -7.840 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.717 -0.417 -6.177 1.00 0.00 H new ATOM 503 N GLY A 35 9.485 -0.607 -7.714 1.00 0.00 N ATOM 504 CA GLY A 35 10.446 -1.605 -8.145 1.00 0.00 C ATOM 505 C GLY A 35 10.465 -2.821 -7.240 1.00 0.00 C ATOM 506 O GLY A 35 10.176 -2.720 -6.048 1.00 0.00 O ATOM 0 H GLY A 35 9.767 0.359 -7.879 1.00 0.00 H new ATOM 0 HA2 GLY A 35 10.210 -1.917 -9.162 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.441 -1.160 -8.171 1.00 0.00 H new ATOM 510 N SER A 36 10.804 -3.974 -7.807 1.00 0.00 N ATOM 511 CA SER A 36 10.854 -5.216 -7.044 1.00 0.00 C ATOM 512 C SER A 36 11.482 -4.986 -5.673 1.00 0.00 C ATOM 513 O SER A 36 10.967 -5.450 -4.656 1.00 0.00 O ATOM 514 CB SER A 36 11.647 -6.278 -7.809 1.00 0.00 C ATOM 515 OG SER A 36 11.518 -7.549 -7.197 1.00 0.00 O ATOM 0 H SER A 36 11.048 -4.074 -8.792 1.00 0.00 H new ATOM 0 HA SER A 36 9.832 -5.568 -6.902 1.00 0.00 H new ATOM 0 HB2 SER A 36 11.293 -6.329 -8.839 1.00 0.00 H new ATOM 0 HB3 SER A 36 12.699 -5.994 -7.847 1.00 0.00 H new ATOM 0 HG SER A 36 12.032 -8.210 -7.705 1.00 0.00 H new ATOM 521 N VAL A 37 12.599 -4.267 -5.654 1.00 0.00 N ATOM 522 CA VAL A 37 13.299 -3.973 -4.409 1.00 0.00 C ATOM 523 C VAL A 37 12.317 -3.799 -3.255 1.00 0.00 C ATOM 524 O VAL A 37 12.585 -4.222 -2.130 1.00 0.00 O ATOM 525 CB VAL A 37 14.158 -2.701 -4.533 1.00 0.00 C ATOM 526 CG1 VAL A 37 15.353 -2.951 -5.440 1.00 0.00 C ATOM 527 CG2 VAL A 37 13.320 -1.541 -5.050 1.00 0.00 C ATOM 0 H VAL A 37 13.039 -3.877 -6.487 1.00 0.00 H new ATOM 0 HA VAL A 37 13.950 -4.823 -4.205 1.00 0.00 H new ATOM 0 HB VAL A 37 14.531 -2.437 -3.543 1.00 0.00 H new ATOM 0 HG11 VAL A 37 15.949 -2.041 -5.516 1.00 0.00 H new ATOM 0 HG12 VAL A 37 15.965 -3.752 -5.024 1.00 0.00 H new ATOM 0 HG13 VAL A 37 15.003 -3.240 -6.431 1.00 0.00 H new ATOM 0 HG21 VAL A 37 13.943 -0.650 -5.132 1.00 0.00 H new ATOM 0 HG22 VAL A 37 12.916 -1.793 -6.031 1.00 0.00 H new ATOM 0 HG23 VAL A 37 12.500 -1.348 -4.359 1.00 0.00 H new ATOM 537 N CYS A 38 11.180 -3.175 -3.542 1.00 0.00 N ATOM 538 CA CYS A 38 10.157 -2.945 -2.528 1.00 0.00 C ATOM 539 C CYS A 38 9.067 -4.008 -2.605 1.00 0.00 C ATOM 540 O CYS A 38 8.503 -4.408 -1.586 1.00 0.00 O ATOM 541 CB CYS A 38 9.544 -1.554 -2.700 1.00 0.00 C ATOM 542 SG CYS A 38 10.411 -0.248 -1.799 1.00 0.00 S ATOM 0 H CYS A 38 10.943 -2.819 -4.468 1.00 0.00 H new ATOM 0 HA CYS A 38 10.630 -3.007 -1.548 1.00 0.00 H new ATOM 0 HB2 CYS A 38 9.532 -1.303 -3.761 1.00 0.00 H new ATOM 0 HB3 CYS A 38 8.506 -1.582 -2.368 1.00 0.00 H new ATOM 0 HG CYS A 38 11.499 0.069 -2.435 1.00 0.00 H new ATOM 548 N ARG A 39 8.773 -4.461 -3.819 1.00 0.00 N ATOM 549 CA ARG A 39 7.748 -5.476 -4.029 1.00 0.00 C ATOM 550 C ARG A 39 7.790 -6.528 -2.924 1.00 0.00 C ATOM 551 O ARG A 39 6.750 -6.993 -2.457 1.00 0.00 O ATOM 552 CB ARG A 39 7.933 -6.145 -5.392 1.00 0.00 C ATOM 553 CG ARG A 39 6.826 -7.125 -5.745 1.00 0.00 C ATOM 554 CD ARG A 39 6.821 -7.447 -7.231 1.00 0.00 C ATOM 555 NE ARG A 39 7.697 -8.572 -7.550 1.00 0.00 N ATOM 556 CZ ARG A 39 7.322 -9.843 -7.461 1.00 0.00 C ATOM 557 NH1 ARG A 39 6.095 -10.150 -7.064 1.00 0.00 N ATOM 558 NH2 ARG A 39 8.176 -10.811 -7.769 1.00 0.00 N ATOM 0 H ARG A 39 9.230 -4.141 -4.673 1.00 0.00 H new ATOM 0 HA ARG A 39 6.775 -4.985 -4.003 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.984 -5.375 -6.161 1.00 0.00 H new ATOM 0 HB3 ARG A 39 8.888 -6.670 -5.403 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.956 -8.044 -5.173 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.862 -6.705 -5.459 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.804 -7.678 -7.549 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.139 -6.569 -7.793 1.00 0.00 H new ATOM 0 HE ARG A 39 8.648 -8.370 -7.858 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.436 -9.409 -6.826 1.00 0.00 H new ATOM 0 HH12 ARG A 39 5.810 -11.127 -6.997 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.121 -10.579 -8.074 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.887 -11.787 -7.700 1.00 0.00 H new ATOM 572 N GLU A 40 8.998 -6.898 -2.512 1.00 0.00 N ATOM 573 CA GLU A 40 9.175 -7.896 -1.464 1.00 0.00 C ATOM 574 C GLU A 40 8.444 -7.481 -0.190 1.00 0.00 C ATOM 575 O GLU A 40 7.689 -8.263 0.389 1.00 0.00 O ATOM 576 CB GLU A 40 10.662 -8.099 -1.168 1.00 0.00 C ATOM 577 CG GLU A 40 11.418 -8.786 -2.293 1.00 0.00 C ATOM 578 CD GLU A 40 12.889 -8.973 -1.979 1.00 0.00 C ATOM 579 OE1 GLU A 40 13.201 -9.559 -0.921 1.00 0.00 O ATOM 580 OE2 GLU A 40 13.730 -8.533 -2.791 1.00 0.00 O ATOM 0 H GLU A 40 9.868 -6.522 -2.888 1.00 0.00 H new ATOM 0 HA GLU A 40 8.751 -8.836 -1.817 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.121 -7.130 -0.972 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.765 -8.690 -0.258 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.966 -9.758 -2.489 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.317 -8.198 -3.205 1.00 0.00 H new ATOM 587 N LYS A 41 8.675 -6.246 0.243 1.00 0.00 N ATOM 588 CA LYS A 41 8.040 -5.726 1.447 1.00 0.00 C ATOM 589 C LYS A 41 6.522 -5.704 1.296 1.00 0.00 C ATOM 590 O LYS A 41 5.793 -6.108 2.203 1.00 0.00 O ATOM 591 CB LYS A 41 8.552 -4.316 1.751 1.00 0.00 C ATOM 592 CG LYS A 41 9.931 -4.294 2.389 1.00 0.00 C ATOM 593 CD LYS A 41 9.875 -4.707 3.850 1.00 0.00 C ATOM 594 CE LYS A 41 11.107 -4.237 4.609 1.00 0.00 C ATOM 595 NZ LYS A 41 12.240 -5.193 4.472 1.00 0.00 N ATOM 0 H LYS A 41 9.298 -5.586 -0.223 1.00 0.00 H new ATOM 0 HA LYS A 41 8.296 -6.386 2.276 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.580 -3.741 0.825 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.846 -3.817 2.415 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.595 -4.965 1.845 1.00 0.00 H new ATOM 0 HG3 LYS A 41 10.354 -3.293 2.309 1.00 0.00 H new ATOM 0 HD2 LYS A 41 8.980 -4.291 4.313 1.00 0.00 H new ATOM 0 HD3 LYS A 41 9.795 -5.792 3.920 1.00 0.00 H new ATOM 0 HE2 LYS A 41 11.411 -3.258 4.238 1.00 0.00 H new ATOM 0 HE3 LYS A 41 10.860 -4.116 5.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 13.060 -4.837 5.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 11.959 -6.121 4.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 12.493 -5.290 3.468 1.00 0.00 H new ATOM 609 N ILE A 42 6.053 -5.232 0.146 1.00 0.00 N ATOM 610 CA ILE A 42 4.623 -5.161 -0.124 1.00 0.00 C ATOM 611 C ILE A 42 3.944 -6.499 0.151 1.00 0.00 C ATOM 612 O ILE A 42 2.856 -6.548 0.724 1.00 0.00 O ATOM 613 CB ILE A 42 4.344 -4.747 -1.581 1.00 0.00 C ATOM 614 CG1 ILE A 42 4.915 -3.355 -1.856 1.00 0.00 C ATOM 615 CG2 ILE A 42 2.850 -4.778 -1.864 1.00 0.00 C ATOM 616 CD1 ILE A 42 5.159 -3.081 -3.324 1.00 0.00 C ATOM 0 H ILE A 42 6.643 -4.893 -0.614 1.00 0.00 H new ATOM 0 HA ILE A 42 4.214 -4.404 0.545 1.00 0.00 H new ATOM 0 HB ILE A 42 4.834 -5.458 -2.246 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.228 -2.605 -1.464 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.853 -3.242 -1.313 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.669 -4.483 -2.898 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.470 -5.787 -1.703 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.338 -4.086 -1.195 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.564 -2.076 -3.444 1.00 0.00 H new ATOM 0 HD12 ILE A 42 5.870 -3.808 -3.717 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.219 -3.161 -3.870 1.00 0.00 H new ATOM 628 N GLU A 43 4.596 -7.582 -0.260 1.00 0.00 N ATOM 629 CA GLU A 43 4.056 -8.921 -0.057 1.00 0.00 C ATOM 630 C GLU A 43 3.719 -9.155 1.414 1.00 0.00 C ATOM 631 O GLU A 43 2.851 -9.963 1.742 1.00 0.00 O ATOM 632 CB GLU A 43 5.055 -9.977 -0.536 1.00 0.00 C ATOM 633 CG GLU A 43 5.257 -9.984 -2.042 1.00 0.00 C ATOM 634 CD GLU A 43 4.288 -10.905 -2.756 1.00 0.00 C ATOM 635 OE1 GLU A 43 4.239 -12.102 -2.404 1.00 0.00 O ATOM 636 OE2 GLU A 43 3.579 -10.430 -3.668 1.00 0.00 O ATOM 0 H GLU A 43 5.498 -7.558 -0.735 1.00 0.00 H new ATOM 0 HA GLU A 43 3.139 -9.007 -0.641 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.015 -9.804 -0.050 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.710 -10.961 -0.219 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.139 -8.971 -2.425 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.278 -10.293 -2.266 1.00 0.00 H new ATOM 643 N ALA A 44 4.413 -8.441 2.294 1.00 0.00 N ATOM 644 CA ALA A 44 4.187 -8.569 3.728 1.00 0.00 C ATOM 645 C ALA A 44 3.011 -7.708 4.178 1.00 0.00 C ATOM 646 O ALA A 44 2.009 -8.221 4.677 1.00 0.00 O ATOM 647 CB ALA A 44 5.445 -8.190 4.496 1.00 0.00 C ATOM 0 H ALA A 44 5.136 -7.768 2.039 1.00 0.00 H new ATOM 0 HA ALA A 44 3.944 -9.610 3.941 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.262 -8.290 5.566 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.262 -8.850 4.204 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.713 -7.158 4.269 1.00 0.00 H new ATOM 653 N VAL A 45 3.140 -6.397 3.998 1.00 0.00 N ATOM 654 CA VAL A 45 2.088 -5.466 4.385 1.00 0.00 C ATOM 655 C VAL A 45 0.742 -5.885 3.804 1.00 0.00 C ATOM 656 O VAL A 45 -0.311 -5.529 4.332 1.00 0.00 O ATOM 657 CB VAL A 45 2.410 -4.032 3.924 1.00 0.00 C ATOM 658 CG1 VAL A 45 2.253 -3.908 2.416 1.00 0.00 C ATOM 659 CG2 VAL A 45 1.522 -3.029 4.644 1.00 0.00 C ATOM 0 H VAL A 45 3.963 -5.956 3.587 1.00 0.00 H new ATOM 0 HA VAL A 45 2.032 -5.486 5.473 1.00 0.00 H new ATOM 0 HB VAL A 45 3.447 -3.812 4.177 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.485 -2.888 2.109 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.935 -4.600 1.921 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.227 -4.147 2.136 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.763 -2.021 4.306 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.477 -3.245 4.424 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.689 -3.101 5.719 1.00 0.00 H new ATOM 669 N ALA A 46 0.785 -6.644 2.714 1.00 0.00 N ATOM 670 CA ALA A 46 -0.431 -7.114 2.062 1.00 0.00 C ATOM 671 C ALA A 46 -0.998 -8.337 2.774 1.00 0.00 C ATOM 672 O ALA A 46 -2.204 -8.431 3.005 1.00 0.00 O ATOM 673 CB ALA A 46 -0.157 -7.432 0.600 1.00 0.00 C ATOM 0 H ALA A 46 1.649 -6.947 2.264 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.174 -6.318 2.116 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.074 -7.782 0.126 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.194 -6.534 0.092 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.605 -8.208 0.533 1.00 0.00 H new ATOM 679 N THR A 47 -0.121 -9.274 3.120 1.00 0.00 N ATOM 680 CA THR A 47 -0.534 -10.493 3.804 1.00 0.00 C ATOM 681 C THR A 47 -0.925 -10.206 5.250 1.00 0.00 C ATOM 682 O THR A 47 -1.663 -10.974 5.866 1.00 0.00 O ATOM 683 CB THR A 47 0.583 -11.553 3.787 1.00 0.00 C ATOM 684 OG1 THR A 47 0.044 -12.838 4.118 1.00 0.00 O ATOM 685 CG2 THR A 47 1.687 -11.193 4.769 1.00 0.00 C ATOM 0 H THR A 47 0.881 -9.212 2.938 1.00 0.00 H new ATOM 0 HA THR A 47 -1.399 -10.880 3.266 1.00 0.00 H new ATOM 0 HB THR A 47 1.008 -11.584 2.784 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.760 -13.507 4.104 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.464 -11.957 4.739 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.115 -10.228 4.497 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.274 -11.136 5.776 1.00 0.00 H new ATOM 693 N GLU A 48 -0.425 -9.096 5.784 1.00 0.00 N ATOM 694 CA GLU A 48 -0.723 -8.710 7.158 1.00 0.00 C ATOM 695 C GLU A 48 -2.117 -8.099 7.261 1.00 0.00 C ATOM 696 O GLU A 48 -2.849 -8.351 8.219 1.00 0.00 O ATOM 697 CB GLU A 48 0.321 -7.715 7.669 1.00 0.00 C ATOM 698 CG GLU A 48 -0.102 -6.983 8.932 1.00 0.00 C ATOM 699 CD GLU A 48 -0.687 -7.913 9.977 1.00 0.00 C ATOM 700 OE1 GLU A 48 -0.290 -9.097 10.005 1.00 0.00 O ATOM 701 OE2 GLU A 48 -1.541 -7.458 10.766 1.00 0.00 O ATOM 0 H GLU A 48 0.187 -8.449 5.287 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.692 -9.608 7.776 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.253 -8.246 7.862 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.527 -6.984 6.887 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.760 -6.465 9.353 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.838 -6.221 8.676 1.00 0.00 H new ATOM 708 N LEU A 49 -2.478 -7.293 6.269 1.00 0.00 N ATOM 709 CA LEU A 49 -3.785 -6.644 6.247 1.00 0.00 C ATOM 710 C LEU A 49 -4.822 -7.532 5.567 1.00 0.00 C ATOM 711 O LEU A 49 -6.008 -7.207 5.537 1.00 0.00 O ATOM 712 CB LEU A 49 -3.696 -5.299 5.524 1.00 0.00 C ATOM 713 CG LEU A 49 -2.890 -4.209 6.232 1.00 0.00 C ATOM 714 CD1 LEU A 49 -2.631 -3.042 5.292 1.00 0.00 C ATOM 715 CD2 LEU A 49 -3.617 -3.737 7.483 1.00 0.00 C ATOM 0 H LEU A 49 -1.885 -7.073 5.469 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.097 -6.476 7.278 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.257 -5.466 4.540 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.708 -4.928 5.363 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.929 -4.629 6.530 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.056 -2.276 5.813 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.069 -3.391 4.425 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.581 -2.622 4.963 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.030 -2.961 7.974 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.592 -3.334 7.207 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.751 -4.577 8.164 1.00 0.00 H new ATOM 727 N ASN A 50 -4.366 -8.656 5.024 1.00 0.00 N ATOM 728 CA ASN A 50 -5.256 -9.593 4.346 1.00 0.00 C ATOM 729 C ASN A 50 -5.834 -8.972 3.078 1.00 0.00 C ATOM 730 O ASN A 50 -7.008 -9.164 2.759 1.00 0.00 O ATOM 731 CB ASN A 50 -6.389 -10.020 5.280 1.00 0.00 C ATOM 732 CG ASN A 50 -7.213 -11.157 4.707 1.00 0.00 C ATOM 733 OD1 ASN A 50 -6.704 -11.993 3.961 1.00 0.00 O ATOM 734 ND2 ASN A 50 -8.494 -11.192 5.055 1.00 0.00 N ATOM 0 H ASN A 50 -3.387 -8.940 5.040 1.00 0.00 H new ATOM 0 HA ASN A 50 -4.674 -10.472 4.067 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -5.970 -10.326 6.239 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.038 -9.166 5.473 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -9.099 -11.933 4.701 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -8.873 -10.478 5.676 1.00 0.00 H new ATOM 741 N VAL A 51 -5.002 -8.227 2.357 1.00 0.00 N ATOM 742 CA VAL A 51 -5.430 -7.579 1.123 1.00 0.00 C ATOM 743 C VAL A 51 -4.495 -7.924 -0.031 1.00 0.00 C ATOM 744 O VAL A 51 -3.278 -7.986 0.140 1.00 0.00 O ATOM 745 CB VAL A 51 -5.487 -6.048 1.283 1.00 0.00 C ATOM 746 CG1 VAL A 51 -6.488 -5.661 2.361 1.00 0.00 C ATOM 747 CG2 VAL A 51 -4.107 -5.495 1.602 1.00 0.00 C ATOM 0 H VAL A 51 -4.028 -8.057 2.606 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.430 -7.951 0.901 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.819 -5.613 0.340 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.515 -4.576 2.460 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -7.478 -6.025 2.086 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.190 -6.105 3.311 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -4.165 -4.412 1.712 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.745 -5.935 2.531 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.420 -5.741 0.792 1.00 0.00 H new ATOM 757 N ASP A 52 -5.073 -8.147 -1.207 1.00 0.00 N ATOM 758 CA ASP A 52 -4.292 -8.484 -2.391 1.00 0.00 C ATOM 759 C ASP A 52 -3.120 -7.522 -2.561 1.00 0.00 C ATOM 760 O ASP A 52 -3.294 -6.303 -2.516 1.00 0.00 O ATOM 761 CB ASP A 52 -5.177 -8.455 -3.638 1.00 0.00 C ATOM 762 CG ASP A 52 -4.507 -9.092 -4.839 1.00 0.00 C ATOM 763 OD1 ASP A 52 -4.494 -10.338 -4.920 1.00 0.00 O ATOM 764 OD2 ASP A 52 -3.993 -8.345 -5.698 1.00 0.00 O ATOM 0 H ASP A 52 -6.080 -8.100 -1.365 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.896 -9.491 -2.260 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.112 -8.975 -3.429 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.433 -7.422 -3.874 1.00 0.00 H new ATOM 769 N CYS A 53 -1.929 -8.076 -2.756 1.00 0.00 N ATOM 770 CA CYS A 53 -0.728 -7.267 -2.931 1.00 0.00 C ATOM 771 C CYS A 53 -1.005 -6.073 -3.839 1.00 0.00 C ATOM 772 O CYS A 53 -0.731 -4.929 -3.476 1.00 0.00 O ATOM 773 CB CYS A 53 0.402 -8.115 -3.515 1.00 0.00 C ATOM 774 SG CYS A 53 0.769 -9.610 -2.567 1.00 0.00 S ATOM 0 H CYS A 53 -1.769 -9.083 -2.797 1.00 0.00 H new ATOM 0 HA CYS A 53 -0.425 -6.894 -1.953 1.00 0.00 H new ATOM 0 HB2 CYS A 53 0.139 -8.399 -4.534 1.00 0.00 H new ATOM 0 HB3 CYS A 53 1.304 -7.506 -3.577 1.00 0.00 H new ATOM 0 HG CYS A 53 1.899 -10.112 -2.968 1.00 0.00 H new ATOM 780 N GLU A 54 -1.550 -6.347 -5.020 1.00 0.00 N ATOM 781 CA GLU A 54 -1.861 -5.295 -5.980 1.00 0.00 C ATOM 782 C GLU A 54 -2.472 -4.084 -5.281 1.00 0.00 C ATOM 783 O GLU A 54 -2.097 -2.943 -5.552 1.00 0.00 O ATOM 784 CB GLU A 54 -2.821 -5.818 -7.050 1.00 0.00 C ATOM 785 CG GLU A 54 -3.115 -4.810 -8.149 1.00 0.00 C ATOM 786 CD GLU A 54 -3.441 -5.471 -9.475 1.00 0.00 C ATOM 787 OE1 GLU A 54 -2.520 -6.039 -10.097 1.00 0.00 O ATOM 788 OE2 GLU A 54 -4.618 -5.419 -9.889 1.00 0.00 O ATOM 0 H GLU A 54 -1.785 -7.288 -5.335 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.930 -4.987 -6.457 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.398 -6.718 -7.497 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.758 -6.109 -6.575 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.952 -4.181 -7.845 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.253 -4.155 -8.276 1.00 0.00 H new ATOM 795 N ILE A 55 -3.415 -4.342 -4.381 1.00 0.00 N ATOM 796 CA ILE A 55 -4.078 -3.274 -3.643 1.00 0.00 C ATOM 797 C ILE A 55 -3.062 -2.316 -3.030 1.00 0.00 C ATOM 798 O ILE A 55 -3.259 -1.101 -3.030 1.00 0.00 O ATOM 799 CB ILE A 55 -4.975 -3.836 -2.524 1.00 0.00 C ATOM 800 CG1 ILE A 55 -6.121 -4.655 -3.123 1.00 0.00 C ATOM 801 CG2 ILE A 55 -5.519 -2.705 -1.663 1.00 0.00 C ATOM 802 CD1 ILE A 55 -6.906 -5.438 -2.093 1.00 0.00 C ATOM 0 H ILE A 55 -3.737 -5.281 -4.145 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.698 -2.734 -4.359 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.376 -4.492 -1.892 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -6.798 -3.985 -3.652 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.716 -5.346 -3.862 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -6.151 -3.118 -0.877 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.690 -2.159 -1.213 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.106 -2.027 -2.282 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -7.702 -5.995 -2.588 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.241 -6.134 -1.581 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.341 -4.751 -1.367 1.00 0.00 H new ATOM 814 N VAL A 56 -1.971 -2.871 -2.511 1.00 0.00 N ATOM 815 CA VAL A 56 -0.922 -2.066 -1.898 1.00 0.00 C ATOM 816 C VAL A 56 -0.044 -1.409 -2.957 1.00 0.00 C ATOM 817 O VAL A 56 0.043 -0.183 -3.032 1.00 0.00 O ATOM 818 CB VAL A 56 -0.035 -2.915 -0.967 1.00 0.00 C ATOM 819 CG1 VAL A 56 1.095 -2.074 -0.393 1.00 0.00 C ATOM 820 CG2 VAL A 56 -0.869 -3.532 0.146 1.00 0.00 C ATOM 0 H VAL A 56 -1.791 -3.875 -2.503 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.418 -1.293 -1.311 1.00 0.00 H new ATOM 0 HB VAL A 56 0.406 -3.723 -1.551 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.711 -2.690 0.262 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.708 -1.684 -1.206 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.677 -1.244 0.177 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.227 -4.128 0.794 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.339 -2.741 0.730 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.639 -4.170 -0.287 1.00 0.00 H new ATOM 830 N ARG A 57 0.605 -2.232 -3.774 1.00 0.00 N ATOM 831 CA ARG A 57 1.477 -1.731 -4.829 1.00 0.00 C ATOM 832 C ARG A 57 0.821 -0.569 -5.570 1.00 0.00 C ATOM 833 O ARG A 57 1.490 0.384 -5.969 1.00 0.00 O ATOM 834 CB ARG A 57 1.817 -2.851 -5.814 1.00 0.00 C ATOM 835 CG ARG A 57 3.177 -2.689 -6.474 1.00 0.00 C ATOM 836 CD ARG A 57 3.790 -4.036 -6.824 1.00 0.00 C ATOM 837 NE ARG A 57 4.655 -3.955 -7.998 1.00 0.00 N ATOM 838 CZ ARG A 57 4.210 -3.692 -9.222 1.00 0.00 C ATOM 839 NH1 ARG A 57 2.917 -3.486 -9.431 1.00 0.00 N ATOM 840 NH2 ARG A 57 5.059 -3.635 -10.240 1.00 0.00 N ATOM 0 H ARG A 57 0.543 -3.249 -3.725 1.00 0.00 H new ATOM 0 HA ARG A 57 2.396 -1.372 -4.366 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.789 -3.806 -5.289 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.050 -2.889 -6.587 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.075 -2.089 -7.378 1.00 0.00 H new ATOM 0 HG3 ARG A 57 3.845 -2.147 -5.805 1.00 0.00 H new ATOM 0 HD2 ARG A 57 4.365 -4.404 -5.975 1.00 0.00 H new ATOM 0 HD3 ARG A 57 2.995 -4.759 -7.008 1.00 0.00 H new ATOM 0 HE ARG A 57 5.655 -4.109 -7.871 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.261 -3.529 -8.651 1.00 0.00 H new ATOM 0 HH12 ARG A 57 2.578 -3.284 -10.372 1.00 0.00 H new ATOM 0 HH21 ARG A 57 6.054 -3.793 -10.083 1.00 0.00 H new ATOM 0 HH22 ARG A 57 4.716 -3.433 -11.179 1.00 0.00 H new ATOM 854 N THR A 58 -0.493 -0.656 -5.751 1.00 0.00 N ATOM 855 CA THR A 58 -1.239 0.386 -6.446 1.00 0.00 C ATOM 856 C THR A 58 -1.393 1.626 -5.573 1.00 0.00 C ATOM 857 O THR A 58 -1.220 2.751 -6.041 1.00 0.00 O ATOM 858 CB THR A 58 -2.636 -0.109 -6.866 1.00 0.00 C ATOM 859 OG1 THR A 58 -2.518 -1.296 -7.658 1.00 0.00 O ATOM 860 CG2 THR A 58 -3.374 0.962 -7.655 1.00 0.00 C ATOM 0 H THR A 58 -1.063 -1.437 -5.426 1.00 0.00 H new ATOM 0 HA THR A 58 -0.669 0.642 -7.339 1.00 0.00 H new ATOM 0 HB THR A 58 -3.205 -0.331 -5.963 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.368 -2.067 -7.072 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.358 0.590 -7.941 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.488 1.854 -7.039 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.805 1.210 -8.551 1.00 0.00 H new ATOM 868 N TRP A 59 -1.718 1.413 -4.303 1.00 0.00 N ATOM 869 CA TRP A 59 -1.894 2.516 -3.364 1.00 0.00 C ATOM 870 C TRP A 59 -0.615 3.335 -3.240 1.00 0.00 C ATOM 871 O TRP A 59 -0.659 4.563 -3.158 1.00 0.00 O ATOM 872 CB TRP A 59 -2.308 1.982 -1.991 1.00 0.00 C ATOM 873 CG TRP A 59 -2.204 3.005 -0.901 1.00 0.00 C ATOM 874 CD1 TRP A 59 -3.198 3.824 -0.448 1.00 0.00 C ATOM 875 CD2 TRP A 59 -1.040 3.319 -0.128 1.00 0.00 C ATOM 876 NE1 TRP A 59 -2.723 4.628 0.560 1.00 0.00 N ATOM 877 CE2 TRP A 59 -1.402 4.337 0.775 1.00 0.00 C ATOM 878 CE3 TRP A 59 0.272 2.838 -0.110 1.00 0.00 C ATOM 879 CZ2 TRP A 59 -0.498 4.881 1.684 1.00 0.00 C ATOM 880 CZ3 TRP A 59 1.167 3.379 0.793 1.00 0.00 C ATOM 881 CH2 TRP A 59 0.779 4.391 1.680 1.00 0.00 C ATOM 0 H TRP A 59 -1.865 0.488 -3.900 1.00 0.00 H new ATOM 0 HA TRP A 59 -2.682 3.164 -3.747 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -3.335 1.621 -2.044 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.682 1.126 -1.738 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -4.209 3.838 -0.826 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -3.266 5.328 1.066 1.00 0.00 H new ATOM 0 HE3 TRP A 59 0.581 2.058 -0.790 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -0.795 5.662 2.368 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 2.184 3.015 0.815 1.00 0.00 H new ATOM 0 HH2 TRP A 59 1.502 4.792 2.374 1.00 0.00 H new ATOM 892 N ILE A 60 0.524 2.650 -3.229 1.00 0.00 N ATOM 893 CA ILE A 60 1.815 3.316 -3.116 1.00 0.00 C ATOM 894 C ILE A 60 1.950 4.430 -4.148 1.00 0.00 C ATOM 895 O ILE A 60 2.062 5.604 -3.799 1.00 0.00 O ATOM 896 CB ILE A 60 2.978 2.322 -3.295 1.00 0.00 C ATOM 897 CG1 ILE A 60 2.956 1.273 -2.182 1.00 0.00 C ATOM 898 CG2 ILE A 60 4.308 3.061 -3.308 1.00 0.00 C ATOM 899 CD1 ILE A 60 3.990 0.183 -2.358 1.00 0.00 C ATOM 0 H ILE A 60 0.578 1.634 -3.297 1.00 0.00 H new ATOM 0 HA ILE A 60 1.864 3.744 -2.115 1.00 0.00 H new ATOM 0 HB ILE A 60 2.858 1.812 -4.251 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.121 1.767 -1.225 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.966 0.820 -2.141 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.121 2.346 -3.435 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.320 3.774 -4.132 1.00 0.00 H new ATOM 0 HG23 ILE A 60 4.438 3.593 -2.366 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.916 -0.525 -1.533 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.813 -0.337 -3.299 1.00 0.00 H new ATOM 0 HD13 ILE A 60 4.986 0.625 -2.369 1.00 0.00 H new ATOM 911 N GLY A 61 1.938 4.053 -5.424 1.00 0.00 N ATOM 912 CA GLY A 61 2.058 5.033 -6.488 1.00 0.00 C ATOM 913 C GLY A 61 1.057 6.163 -6.351 1.00 0.00 C ATOM 914 O GLY A 61 1.399 7.330 -6.540 1.00 0.00 O ATOM 0 H GLY A 61 1.847 3.087 -5.739 1.00 0.00 H new ATOM 0 HA2 GLY A 61 3.068 5.444 -6.487 1.00 0.00 H new ATOM 0 HA3 GLY A 61 1.915 4.540 -7.450 1.00 0.00 H new ATOM 918 N ASN A 62 -0.183 5.817 -6.023 1.00 0.00 N ATOM 919 CA ASN A 62 -1.238 6.812 -5.864 1.00 0.00 C ATOM 920 C ASN A 62 -0.746 7.998 -5.040 1.00 0.00 C ATOM 921 O ASN A 62 -0.997 9.153 -5.385 1.00 0.00 O ATOM 922 CB ASN A 62 -2.463 6.184 -5.196 1.00 0.00 C ATOM 923 CG ASN A 62 -3.089 5.094 -6.043 1.00 0.00 C ATOM 924 OD1 ASN A 62 -2.486 4.615 -7.004 1.00 0.00 O ATOM 925 ND2 ASN A 62 -4.306 4.697 -5.691 1.00 0.00 N ATOM 0 H ASN A 62 -0.483 4.855 -5.862 1.00 0.00 H new ATOM 0 HA ASN A 62 -1.518 7.172 -6.854 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.174 5.769 -4.230 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -3.204 6.959 -5.001 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -4.779 3.967 -6.224 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -4.768 5.122 -4.887 1.00 0.00 H new ATOM 932 N ARG A 63 -0.045 7.704 -3.951 1.00 0.00 N ATOM 933 CA ARG A 63 0.482 8.746 -3.077 1.00 0.00 C ATOM 934 C ARG A 63 1.505 9.607 -3.813 1.00 0.00 C ATOM 935 O ARG A 63 1.368 10.828 -3.881 1.00 0.00 O ATOM 936 CB ARG A 63 1.122 8.125 -1.834 1.00 0.00 C ATOM 937 CG ARG A 63 1.417 9.130 -0.733 1.00 0.00 C ATOM 938 CD ARG A 63 0.243 9.268 0.224 1.00 0.00 C ATOM 939 NE ARG A 63 0.334 8.330 1.340 1.00 0.00 N ATOM 940 CZ ARG A 63 -0.295 8.502 2.497 1.00 0.00 C ATOM 941 NH1 ARG A 63 -1.056 9.570 2.690 1.00 0.00 N ATOM 942 NH2 ARG A 63 -0.163 7.604 3.465 1.00 0.00 N ATOM 0 H ARG A 63 0.172 6.753 -3.652 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.349 9.381 -2.770 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.459 7.354 -1.442 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.050 7.632 -2.122 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.303 8.817 -0.181 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.643 10.100 -1.175 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.207 10.287 0.609 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -0.688 9.098 -0.317 1.00 0.00 H new ATOM 0 HE ARG A 63 0.912 7.498 1.224 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.160 10.263 1.949 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.538 9.699 3.580 1.00 0.00 H new ATOM 0 HH21 ARG A 63 0.422 6.781 3.321 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -0.646 7.737 4.353 1.00 0.00 H new ATOM 956 N ARG A 64 2.529 8.961 -4.360 1.00 0.00 N ATOM 957 CA ARG A 64 3.576 9.667 -5.088 1.00 0.00 C ATOM 958 C ARG A 64 2.977 10.717 -6.020 1.00 0.00 C ATOM 959 O ARG A 64 3.467 11.844 -6.098 1.00 0.00 O ATOM 960 CB ARG A 64 4.423 8.679 -5.893 1.00 0.00 C ATOM 961 CG ARG A 64 5.511 8.003 -5.076 1.00 0.00 C ATOM 962 CD ARG A 64 5.859 6.633 -5.637 1.00 0.00 C ATOM 963 NE ARG A 64 7.253 6.277 -5.386 1.00 0.00 N ATOM 964 CZ ARG A 64 8.260 6.653 -6.167 1.00 0.00 C ATOM 965 NH1 ARG A 64 8.028 7.394 -7.242 1.00 0.00 N ATOM 966 NH2 ARG A 64 9.501 6.290 -5.873 1.00 0.00 N ATOM 0 H ARG A 64 2.656 7.950 -4.313 1.00 0.00 H new ATOM 0 HA ARG A 64 4.212 10.172 -4.361 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.771 7.915 -6.316 1.00 0.00 H new ATOM 0 HB3 ARG A 64 4.883 9.205 -6.730 1.00 0.00 H new ATOM 0 HG2 ARG A 64 6.402 8.630 -5.066 1.00 0.00 H new ATOM 0 HG3 ARG A 64 5.181 7.901 -4.042 1.00 0.00 H new ATOM 0 HD2 ARG A 64 5.207 5.882 -5.191 1.00 0.00 H new ATOM 0 HD3 ARG A 64 5.670 6.622 -6.710 1.00 0.00 H new ATOM 0 HE ARG A 64 7.465 5.709 -4.566 1.00 0.00 H new ATOM 0 HH11 ARG A 64 7.075 7.676 -7.471 1.00 0.00 H new ATOM 0 HH12 ARG A 64 8.803 7.682 -7.840 1.00 0.00 H new ATOM 0 HH21 ARG A 64 9.684 5.721 -5.046 1.00 0.00 H new ATOM 0 HH22 ARG A 64 10.273 6.579 -6.474 1.00 0.00 H new