USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 585 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 14 THR OG1 : rot 180:sc= -1.01 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.652 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -158:sc= -0.0155 (180deg=-0.233) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 23 MET CE :methyl 144:sc= -6.35! (180deg=-10.1!) USER MOD Single : A 26 SER OG : rot 170:sc= -0.346 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= -0.661 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -1.07 K(o=-1.1,f=-2.9!) USER MOD Single : A 65 SER OG : rot -175:sc= -1.48! USER MOD Single : A 70 SER OG : rot 180:sc= 0.0164 USER MOD Single : A 75 SER OG : rot -170:sc= -0.0469 USER MOD Single : A 76 GLN : amide:sc= -4.93 K(o=-4.9,f=-17!) USER MOD Single : A 83 MET CE :methyl -128:sc= -7.37! (180deg=-13!) USER MOD Single : A 84 THR OG1 : rot 83:sc= -0.0331! USER MOD Single : A 86 THR OG1 : rot -66:sc= -3.52! USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 74:sc= 0.641 USER MOD Single : A 91 THR OG1 : rot -179:sc= -2.61! USER MOD ----------------------------------------------------------------- ATOM 153 N GLU A 11 -4.078 -5.472 -7.565 1.00 0.00 N ATOM 154 CA GLU A 11 -3.929 -4.467 -8.604 1.00 0.00 C ATOM 155 C GLU A 11 -2.982 -3.358 -8.139 1.00 0.00 C ATOM 156 O GLU A 11 -2.643 -3.282 -6.959 1.00 0.00 O ATOM 157 CB GLU A 11 -5.289 -3.895 -9.010 1.00 0.00 C ATOM 158 CG GLU A 11 -5.656 -4.314 -10.435 1.00 0.00 C ATOM 159 CD GLU A 11 -6.551 -3.266 -11.101 1.00 0.00 C ATOM 160 OE1 GLU A 11 -7.774 -3.325 -10.854 1.00 0.00 O ATOM 161 OE2 GLU A 11 -5.990 -2.430 -11.842 1.00 0.00 O ATOM 0 HA GLU A 11 -3.494 -4.942 -9.483 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.055 -4.242 -8.316 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.265 -2.807 -8.941 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.748 -4.449 -11.023 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.169 -5.276 -10.415 1.00 0.00 H new ATOM 168 N ILE A 12 -2.586 -2.525 -9.090 1.00 0.00 N ATOM 169 CA ILE A 12 -1.687 -1.423 -8.793 1.00 0.00 C ATOM 170 C ILE A 12 -2.508 -0.186 -8.425 1.00 0.00 C ATOM 171 O ILE A 12 -3.152 0.414 -9.284 1.00 0.00 O ATOM 172 CB ILE A 12 -0.717 -1.196 -9.953 1.00 0.00 C ATOM 173 CG1 ILE A 12 0.477 -0.347 -9.511 1.00 0.00 C ATOM 174 CG2 ILE A 12 -1.437 -0.588 -11.158 1.00 0.00 C ATOM 175 CD1 ILE A 12 1.712 -0.655 -10.359 1.00 0.00 C ATOM 0 H ILE A 12 -2.871 -2.591 -10.067 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.065 -1.660 -7.930 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.326 -2.164 -10.266 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.227 0.711 -9.596 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.696 -0.539 -8.461 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.725 -0.437 -11.969 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.226 -1.263 -11.489 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.874 0.370 -10.875 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.546 -0.038 -10.024 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.973 -1.708 -10.252 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.498 -0.439 -11.406 1.00 0.00 H new ATOM 187 N ILE A 13 -2.459 0.159 -7.146 1.00 0.00 N ATOM 188 CA ILE A 13 -3.191 1.316 -6.655 1.00 0.00 C ATOM 189 C ILE A 13 -2.267 2.535 -6.655 1.00 0.00 C ATOM 190 O ILE A 13 -1.052 2.399 -6.512 1.00 0.00 O ATOM 191 CB ILE A 13 -3.811 1.014 -5.290 1.00 0.00 C ATOM 192 CG1 ILE A 13 -4.217 -0.458 -5.184 1.00 0.00 C ATOM 193 CG2 ILE A 13 -4.985 1.954 -5.002 1.00 0.00 C ATOM 194 CD1 ILE A 13 -5.079 -0.877 -6.376 1.00 0.00 C ATOM 0 H ILE A 13 -1.925 -0.341 -6.436 1.00 0.00 H new ATOM 0 HA ILE A 13 -4.026 1.549 -7.315 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.056 1.195 -4.525 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -3.325 -1.082 -5.139 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -4.768 -0.621 -4.258 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.408 1.719 -4.026 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.634 2.986 -5.006 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -5.749 1.827 -5.769 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -5.353 -1.927 -6.275 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -5.982 -0.267 -6.404 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -4.517 -0.736 -7.299 1.00 0.00 H new ATOM 206 N THR A 14 -2.878 3.699 -6.818 1.00 0.00 N ATOM 207 CA THR A 14 -2.126 4.942 -6.840 1.00 0.00 C ATOM 208 C THR A 14 -2.865 6.026 -6.052 1.00 0.00 C ATOM 209 O THR A 14 -3.974 6.415 -6.417 1.00 0.00 O ATOM 210 CB THR A 14 -1.874 5.318 -8.300 1.00 0.00 C ATOM 211 OG1 THR A 14 -1.279 6.612 -8.230 1.00 0.00 O ATOM 212 CG2 THR A 14 -3.172 5.547 -9.079 1.00 0.00 C ATOM 0 H THR A 14 -3.885 3.808 -6.936 1.00 0.00 H new ATOM 0 HA THR A 14 -1.160 4.828 -6.348 1.00 0.00 H new ATOM 0 HB THR A 14 -1.295 4.530 -8.782 1.00 0.00 H new ATOM 0 HG1 THR A 14 -1.081 6.931 -9.135 1.00 0.00 H new ATOM 0 HG21 THR A 14 -2.936 5.811 -10.110 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.770 4.636 -9.066 1.00 0.00 H new ATOM 0 HG23 THR A 14 -3.736 6.357 -8.617 1.00 0.00 H new ATOM 220 N VAL A 15 -2.222 6.483 -4.988 1.00 0.00 N ATOM 221 CA VAL A 15 -2.804 7.513 -4.146 1.00 0.00 C ATOM 222 C VAL A 15 -1.990 8.803 -4.288 1.00 0.00 C ATOM 223 O VAL A 15 -0.782 8.755 -4.515 1.00 0.00 O ATOM 224 CB VAL A 15 -2.895 7.020 -2.702 1.00 0.00 C ATOM 225 CG1 VAL A 15 -4.220 7.439 -2.060 1.00 0.00 C ATOM 226 CG2 VAL A 15 -2.705 5.503 -2.628 1.00 0.00 C ATOM 0 H VAL A 15 -1.302 6.158 -4.690 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.823 7.735 -4.464 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.088 7.487 -2.138 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.258 7.075 -1.033 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.298 8.526 -2.063 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.049 7.014 -2.626 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.774 5.178 -1.590 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.480 5.010 -3.215 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.725 5.239 -3.026 1.00 0.00 H new ATOM 236 N THR A 16 -2.685 9.922 -4.148 1.00 0.00 N ATOM 237 CA THR A 16 -2.042 11.220 -4.258 1.00 0.00 C ATOM 238 C THR A 16 -2.318 12.058 -3.008 1.00 0.00 C ATOM 239 O THR A 16 -3.374 11.931 -2.390 1.00 0.00 O ATOM 240 CB THR A 16 -2.526 11.880 -5.550 1.00 0.00 C ATOM 241 OG1 THR A 16 -1.932 11.096 -6.583 1.00 0.00 O ATOM 242 CG2 THR A 16 -1.932 13.276 -5.754 1.00 0.00 C ATOM 0 H THR A 16 -3.687 9.957 -3.959 1.00 0.00 H new ATOM 0 HA THR A 16 -0.958 11.121 -4.313 1.00 0.00 H new ATOM 0 HB THR A 16 -3.614 11.947 -5.538 1.00 0.00 H new ATOM 0 HG1 THR A 16 -2.195 11.453 -7.457 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.308 13.699 -6.685 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.219 13.919 -4.922 1.00 0.00 H new ATOM 0 HG23 THR A 16 -0.845 13.206 -5.800 1.00 0.00 H new ATOM 250 N LEU A 17 -1.349 12.898 -2.673 1.00 0.00 N ATOM 251 CA LEU A 17 -1.474 13.756 -1.508 1.00 0.00 C ATOM 252 C LEU A 17 -2.397 14.931 -1.842 1.00 0.00 C ATOM 253 O LEU A 17 -1.983 15.883 -2.499 1.00 0.00 O ATOM 254 CB LEU A 17 -0.093 14.185 -1.008 1.00 0.00 C ATOM 255 CG LEU A 17 0.588 13.233 -0.020 1.00 0.00 C ATOM 256 CD1 LEU A 17 1.061 13.985 1.226 1.00 0.00 C ATOM 257 CD2 LEU A 17 -0.330 12.061 0.331 1.00 0.00 C ATOM 0 H LEU A 17 -0.475 13.002 -3.188 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.933 13.212 -0.683 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.561 14.311 -1.871 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.187 15.162 -0.534 1.00 0.00 H new ATOM 0 HG LEU A 17 1.473 12.816 -0.500 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.541 13.287 1.912 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.774 14.757 0.936 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.206 14.447 1.719 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.177 11.400 1.034 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.246 12.439 0.785 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.576 11.507 -0.575 1.00 0.00 H new ATOM 269 N LYS A 18 -3.631 14.822 -1.372 1.00 0.00 N ATOM 270 CA LYS A 18 -4.618 15.862 -1.612 1.00 0.00 C ATOM 271 C LYS A 18 -4.533 16.905 -0.498 1.00 0.00 C ATOM 272 O LYS A 18 -4.439 18.103 -0.770 1.00 0.00 O ATOM 273 CB LYS A 18 -6.010 15.251 -1.778 1.00 0.00 C ATOM 274 CG LYS A 18 -6.988 16.267 -2.375 1.00 0.00 C ATOM 275 CD LYS A 18 -8.364 16.158 -1.716 1.00 0.00 C ATOM 276 CE LYS A 18 -8.661 17.390 -0.857 1.00 0.00 C ATOM 277 NZ LYS A 18 -8.983 18.552 -1.715 1.00 0.00 N ATOM 0 H LYS A 18 -3.970 14.030 -0.826 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.408 16.378 -2.549 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -5.952 14.375 -2.423 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.379 14.911 -0.811 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -6.596 17.275 -2.242 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -7.081 16.100 -3.448 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.131 16.052 -2.483 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.405 15.261 -1.098 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.496 17.182 -0.188 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -7.800 17.620 -0.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -9.182 19.380 -1.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -8.175 18.759 -2.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -9.819 18.334 -2.295 1.00 0.00 H new ATOM 291 N LYS A 19 -4.568 16.416 0.733 1.00 0.00 N ATOM 292 CA LYS A 19 -4.495 17.294 1.890 1.00 0.00 C ATOM 293 C LYS A 19 -3.028 17.514 2.265 1.00 0.00 C ATOM 294 O LYS A 19 -2.726 18.300 3.163 1.00 0.00 O ATOM 295 CB LYS A 19 -5.346 16.740 3.035 1.00 0.00 C ATOM 296 CG LYS A 19 -5.336 17.691 4.232 1.00 0.00 C ATOM 297 CD LYS A 19 -6.712 17.744 4.903 1.00 0.00 C ATOM 298 CE LYS A 19 -7.531 18.926 4.380 1.00 0.00 C ATOM 299 NZ LYS A 19 -6.986 20.202 4.895 1.00 0.00 N ATOM 0 H LYS A 19 -4.646 15.423 0.955 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.915 18.272 1.655 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -6.370 16.590 2.693 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.965 15.764 3.337 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.588 17.364 4.954 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -5.048 18.690 3.905 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -7.248 16.814 4.715 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.591 17.830 5.983 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -7.518 18.931 3.290 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -8.572 18.819 4.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.723 20.934 4.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.673 20.074 5.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.178 20.495 4.310 1.00 0.00 H new ATOM 313 N GLN A 20 -2.156 16.807 1.562 1.00 0.00 N ATOM 314 CA GLN A 20 -0.730 16.917 1.810 1.00 0.00 C ATOM 315 C GLN A 20 -0.428 16.662 3.289 1.00 0.00 C ATOM 316 O GLN A 20 0.414 17.337 3.880 1.00 0.00 O ATOM 317 CB GLN A 20 -0.199 18.283 1.370 1.00 0.00 C ATOM 318 CG GLN A 20 -0.068 18.356 -0.152 1.00 0.00 C ATOM 319 CD GLN A 20 0.490 19.712 -0.589 1.00 0.00 C ATOM 320 OE1 GLN A 20 -0.235 20.665 -0.820 1.00 0.00 O ATOM 321 NE2 GLN A 20 1.816 19.744 -0.691 1.00 0.00 N ATOM 0 H GLN A 20 -2.411 16.155 0.820 1.00 0.00 H new ATOM 0 HA GLN A 20 -0.219 16.158 1.218 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.870 19.068 1.719 1.00 0.00 H new ATOM 0 HB3 GLN A 20 0.772 18.466 1.831 1.00 0.00 H new ATOM 0 HG2 GLN A 20 0.587 17.559 -0.503 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -1.042 18.194 -0.613 1.00 0.00 H new ATOM 0 HE21 GLN A 20 2.364 18.909 -0.483 1.00 0.00 H new ATOM 0 HE22 GLN A 20 2.285 20.603 -0.978 1.00 0.00 H new ATOM 330 N ASN A 21 -1.130 15.683 3.843 1.00 0.00 N ATOM 331 CA ASN A 21 -0.947 15.330 5.239 1.00 0.00 C ATOM 332 C ASN A 21 0.114 14.234 5.350 1.00 0.00 C ATOM 333 O ASN A 21 0.006 13.342 6.192 1.00 0.00 O ATOM 334 CB ASN A 21 -2.245 14.795 5.847 1.00 0.00 C ATOM 335 CG ASN A 21 -2.614 15.565 7.117 1.00 0.00 C ATOM 336 OD1 ASN A 21 -3.614 16.261 7.184 1.00 0.00 O ATOM 337 ND2 ASN A 21 -1.753 15.403 8.118 1.00 0.00 N ATOM 0 H ASN A 21 -1.826 15.124 3.349 1.00 0.00 H new ATOM 0 HA ASN A 21 -0.641 16.228 5.776 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.053 14.878 5.120 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -2.133 13.736 6.079 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -1.911 15.876 9.008 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -0.935 14.806 7.996 1.00 0.00 H new ATOM 344 N GLY A 22 1.115 14.332 4.487 1.00 0.00 N ATOM 345 CA GLY A 22 2.195 13.360 4.477 1.00 0.00 C ATOM 346 C GLY A 22 1.752 12.057 3.806 1.00 0.00 C ATOM 347 O GLY A 22 2.407 11.578 2.881 1.00 0.00 O ATOM 0 H GLY A 22 1.201 15.071 3.789 1.00 0.00 H new ATOM 0 HA2 GLY A 22 3.055 13.772 3.949 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.516 13.157 5.499 1.00 0.00 H new ATOM 351 N MET A 23 0.643 11.522 4.296 1.00 0.00 N ATOM 352 CA MET A 23 0.106 10.286 3.757 1.00 0.00 C ATOM 353 C MET A 23 -0.948 9.691 4.692 1.00 0.00 C ATOM 354 O MET A 23 -2.146 9.840 4.458 1.00 0.00 O ATOM 355 CB MET A 23 1.240 9.279 3.559 1.00 0.00 C ATOM 356 CG MET A 23 1.404 8.919 2.082 1.00 0.00 C ATOM 357 SD MET A 23 3.055 9.314 1.534 1.00 0.00 S ATOM 358 CE MET A 23 3.871 7.760 1.861 1.00 0.00 C ATOM 0 H MET A 23 0.102 11.923 5.062 1.00 0.00 H new ATOM 0 HA MET A 23 -0.368 10.506 2.800 1.00 0.00 H new ATOM 0 HB2 MET A 23 2.172 9.696 3.941 1.00 0.00 H new ATOM 0 HB3 MET A 23 1.035 8.377 4.136 1.00 0.00 H new ATOM 0 HG2 MET A 23 1.208 7.857 1.935 1.00 0.00 H new ATOM 0 HG3 MET A 23 0.674 9.464 1.484 1.00 0.00 H new ATOM 0 HE1 MET A 23 4.612 7.568 1.085 1.00 0.00 H new ATOM 0 HE2 MET A 23 4.365 7.806 2.832 1.00 0.00 H new ATOM 0 HE3 MET A 23 3.135 6.956 1.866 1.00 0.00 H new ATOM 368 N GLY A 24 -0.464 9.028 5.732 1.00 0.00 N ATOM 369 CA GLY A 24 -1.349 8.410 6.705 1.00 0.00 C ATOM 370 C GLY A 24 -1.757 7.005 6.259 1.00 0.00 C ATOM 371 O GLY A 24 -2.943 6.714 6.118 1.00 0.00 O ATOM 0 H GLY A 24 0.531 8.905 5.922 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.851 8.358 7.673 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.238 9.026 6.836 1.00 0.00 H new ATOM 375 N LEU A 25 -0.750 6.171 6.048 1.00 0.00 N ATOM 376 CA LEU A 25 -0.988 4.802 5.621 1.00 0.00 C ATOM 377 C LEU A 25 -0.314 3.841 6.603 1.00 0.00 C ATOM 378 O LEU A 25 0.505 4.257 7.421 1.00 0.00 O ATOM 379 CB LEU A 25 -0.545 4.608 4.170 1.00 0.00 C ATOM 380 CG LEU A 25 -1.615 4.851 3.103 1.00 0.00 C ATOM 381 CD1 LEU A 25 -1.403 3.936 1.896 1.00 0.00 C ATOM 382 CD2 LEU A 25 -3.019 4.704 3.694 1.00 0.00 C ATOM 0 H LEU A 25 0.233 6.416 6.165 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.055 4.579 5.637 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.293 5.277 3.974 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.173 3.590 4.058 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.519 5.877 2.749 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.177 4.129 1.153 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.424 4.131 1.459 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.457 2.895 2.215 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.762 4.881 2.916 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.143 3.696 4.091 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.154 5.429 4.496 1.00 0.00 H new ATOM 394 N SER A 26 -0.685 2.574 6.490 1.00 0.00 N ATOM 395 CA SER A 26 -0.128 1.551 7.357 1.00 0.00 C ATOM 396 C SER A 26 -0.046 0.218 6.611 1.00 0.00 C ATOM 397 O SER A 26 -1.061 -0.298 6.142 1.00 0.00 O ATOM 398 CB SER A 26 -0.959 1.395 8.632 1.00 0.00 C ATOM 399 OG SER A 26 -0.167 0.977 9.740 1.00 0.00 O ATOM 0 H SER A 26 -1.365 2.233 5.811 1.00 0.00 H new ATOM 0 HA SER A 26 0.876 1.860 7.646 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.441 2.344 8.869 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.753 0.669 8.460 1.00 0.00 H new ATOM 0 HG SER A 26 -0.695 1.044 10.563 1.00 0.00 H new ATOM 405 N ILE A 27 1.169 -0.302 6.522 1.00 0.00 N ATOM 406 CA ILE A 27 1.395 -1.565 5.838 1.00 0.00 C ATOM 407 C ILE A 27 2.402 -2.396 6.635 1.00 0.00 C ATOM 408 O ILE A 27 2.955 -1.926 7.627 1.00 0.00 O ATOM 409 CB ILE A 27 1.807 -1.323 4.386 1.00 0.00 C ATOM 410 CG1 ILE A 27 3.327 -1.195 4.262 1.00 0.00 C ATOM 411 CG2 ILE A 27 1.082 -0.107 3.805 1.00 0.00 C ATOM 412 CD1 ILE A 27 3.879 -2.195 3.244 1.00 0.00 C ATOM 0 H ILE A 27 2.008 0.128 6.912 1.00 0.00 H new ATOM 0 HA ILE A 27 0.472 -2.143 5.788 1.00 0.00 H new ATOM 0 HB ILE A 27 1.506 -2.190 3.797 1.00 0.00 H new ATOM 0 HG12 ILE A 27 3.587 -0.181 3.959 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.791 -1.366 5.234 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.393 0.043 2.771 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.006 -0.275 3.839 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.330 0.778 4.390 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.961 -2.084 3.175 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.638 -3.209 3.563 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.431 -2.006 2.268 1.00 0.00 H new ATOM 424 N VAL A 28 2.613 -3.619 6.168 1.00 0.00 N ATOM 425 CA VAL A 28 3.544 -4.520 6.823 1.00 0.00 C ATOM 426 C VAL A 28 4.111 -5.498 5.792 1.00 0.00 C ATOM 427 O VAL A 28 3.635 -5.558 4.660 1.00 0.00 O ATOM 428 CB VAL A 28 2.858 -5.220 7.998 1.00 0.00 C ATOM 429 CG1 VAL A 28 2.121 -6.477 7.532 1.00 0.00 C ATOM 430 CG2 VAL A 28 3.863 -5.549 9.103 1.00 0.00 C ATOM 0 H VAL A 28 2.154 -4.006 5.343 1.00 0.00 H new ATOM 0 HA VAL A 28 4.384 -3.964 7.240 1.00 0.00 H new ATOM 0 HB VAL A 28 2.119 -4.534 8.413 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.642 -6.956 8.386 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.363 -6.203 6.798 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.832 -7.169 7.080 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.349 -6.046 9.926 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.636 -6.208 8.707 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.321 -4.628 9.464 1.00 0.00 H new ATOM 440 N ALA A 29 5.120 -6.242 6.223 1.00 0.00 N ATOM 441 CA ALA A 29 5.756 -7.215 5.351 1.00 0.00 C ATOM 442 C ALA A 29 6.134 -8.454 6.167 1.00 0.00 C ATOM 443 O ALA A 29 6.481 -8.344 7.342 1.00 0.00 O ATOM 444 CB ALA A 29 6.968 -6.576 4.669 1.00 0.00 C ATOM 0 H ALA A 29 5.512 -6.190 7.163 1.00 0.00 H new ATOM 0 HA ALA A 29 5.070 -7.532 4.566 1.00 0.00 H new ATOM 0 HB1 ALA A 29 7.445 -7.306 4.015 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.644 -5.718 4.080 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.680 -6.248 5.426 1.00 0.00 H new ATOM 450 N ALA A 30 6.054 -9.601 5.510 1.00 0.00 N ATOM 451 CA ALA A 30 6.385 -10.860 6.159 1.00 0.00 C ATOM 452 C ALA A 30 7.501 -11.554 5.380 1.00 0.00 C ATOM 453 O ALA A 30 7.621 -11.376 4.169 1.00 0.00 O ATOM 454 CB ALA A 30 5.125 -11.723 6.268 1.00 0.00 C ATOM 0 H ALA A 30 5.765 -9.686 4.535 1.00 0.00 H new ATOM 0 HA ALA A 30 6.751 -10.686 7.171 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.371 -12.667 6.754 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.373 -11.197 6.857 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.732 -11.920 5.271 1.00 0.00 H new ATOM 576 N GLY A 39 5.438 -11.843 2.157 1.00 0.00 N ATOM 577 CA GLY A 39 4.048 -11.436 2.051 1.00 0.00 C ATOM 578 C GLY A 39 3.838 -10.043 2.650 1.00 0.00 C ATOM 579 O GLY A 39 4.109 -9.824 3.830 1.00 0.00 O ATOM 0 HA2 GLY A 39 3.744 -11.435 1.004 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.414 -12.157 2.567 1.00 0.00 H new ATOM 583 N ILE A 40 3.358 -9.139 1.810 1.00 0.00 N ATOM 584 CA ILE A 40 3.109 -7.774 2.242 1.00 0.00 C ATOM 585 C ILE A 40 1.601 -7.548 2.363 1.00 0.00 C ATOM 586 O ILE A 40 0.820 -8.127 1.609 1.00 0.00 O ATOM 587 CB ILE A 40 3.805 -6.781 1.308 1.00 0.00 C ATOM 588 CG1 ILE A 40 4.886 -7.476 0.475 1.00 0.00 C ATOM 589 CG2 ILE A 40 4.363 -5.590 2.093 1.00 0.00 C ATOM 590 CD1 ILE A 40 5.406 -6.552 -0.627 1.00 0.00 C ATOM 0 H ILE A 40 3.135 -9.324 0.832 1.00 0.00 H new ATOM 0 HA ILE A 40 3.538 -7.604 3.230 1.00 0.00 H new ATOM 0 HB ILE A 40 3.064 -6.390 0.611 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.710 -7.777 1.121 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.480 -8.385 0.031 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.853 -4.899 1.407 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.548 -5.077 2.604 1.00 0.00 H new ATOM 0 HG23 ILE A 40 5.086 -5.945 2.828 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.173 -7.069 -1.204 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.584 -6.272 -1.285 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.833 -5.655 -0.178 1.00 0.00 H new ATOM 602 N TYR A 41 1.235 -6.705 3.318 1.00 0.00 N ATOM 603 CA TYR A 41 -0.167 -6.398 3.548 1.00 0.00 C ATOM 604 C TYR A 41 -0.333 -4.974 4.086 1.00 0.00 C ATOM 605 O TYR A 41 0.637 -4.353 4.520 1.00 0.00 O ATOM 606 CB TYR A 41 -0.648 -7.389 4.607 1.00 0.00 C ATOM 607 CG TYR A 41 -0.376 -8.854 4.257 1.00 0.00 C ATOM 608 CD1 TYR A 41 -1.067 -9.457 3.226 1.00 0.00 C ATOM 609 CD2 TYR A 41 0.559 -9.573 4.973 1.00 0.00 C ATOM 610 CE1 TYR A 41 -0.812 -10.836 2.896 1.00 0.00 C ATOM 611 CE2 TYR A 41 0.815 -10.951 4.644 1.00 0.00 C ATOM 612 CZ TYR A 41 0.117 -11.515 3.621 1.00 0.00 C ATOM 613 OH TYR A 41 0.359 -12.816 3.311 1.00 0.00 O ATOM 0 H TYR A 41 1.885 -6.225 3.941 1.00 0.00 H new ATOM 0 HA TYR A 41 -0.734 -6.472 2.620 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -0.163 -7.156 5.555 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -1.719 -7.254 4.756 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -1.800 -8.895 2.666 1.00 0.00 H new ATOM 0 HD2 TYR A 41 1.099 -9.102 5.781 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -1.346 -11.319 2.091 1.00 0.00 H new ATOM 0 HE2 TYR A 41 1.545 -11.524 5.197 1.00 0.00 H new ATOM 0 HH TYR A 41 1.047 -13.173 3.911 1.00 0.00 H new ATOM 623 N VAL A 42 -1.568 -4.500 4.038 1.00 0.00 N ATOM 624 CA VAL A 42 -1.875 -3.161 4.515 1.00 0.00 C ATOM 625 C VAL A 42 -2.570 -3.257 5.876 1.00 0.00 C ATOM 626 O VAL A 42 -3.589 -3.931 6.010 1.00 0.00 O ATOM 627 CB VAL A 42 -2.704 -2.411 3.472 1.00 0.00 C ATOM 628 CG1 VAL A 42 -3.414 -1.208 4.097 1.00 0.00 C ATOM 629 CG2 VAL A 42 -1.837 -1.980 2.287 1.00 0.00 C ATOM 0 H VAL A 42 -2.369 -5.018 3.676 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.960 -2.586 4.656 1.00 0.00 H new ATOM 0 HB VAL A 42 -3.467 -3.094 3.098 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.996 -0.692 3.334 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.078 -1.550 4.891 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.674 -0.524 4.512 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.452 -1.449 1.560 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.041 -1.323 2.638 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.399 -2.861 1.817 1.00 0.00 H new ATOM 639 N LYS A 43 -1.988 -2.571 6.850 1.00 0.00 N ATOM 640 CA LYS A 43 -2.538 -2.569 8.195 1.00 0.00 C ATOM 641 C LYS A 43 -3.799 -1.703 8.225 1.00 0.00 C ATOM 642 O LYS A 43 -4.804 -2.083 8.825 1.00 0.00 O ATOM 643 CB LYS A 43 -1.474 -2.143 9.208 1.00 0.00 C ATOM 644 CG LYS A 43 -2.032 -2.171 10.633 1.00 0.00 C ATOM 645 CD LYS A 43 -0.999 -1.652 11.636 1.00 0.00 C ATOM 646 CE LYS A 43 -0.246 -2.808 12.295 1.00 0.00 C ATOM 647 NZ LYS A 43 -0.734 -3.023 13.676 1.00 0.00 N ATOM 0 H LYS A 43 -1.142 -2.013 6.734 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.837 -3.576 8.486 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.613 -2.807 9.138 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.122 -1.139 8.971 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.934 -1.562 10.686 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.319 -3.189 10.895 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.292 -0.995 11.129 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.497 -1.055 12.400 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.380 -3.718 11.710 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.822 -2.593 12.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.213 -3.811 14.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.584 -2.159 14.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.749 -3.250 13.654 1.00 0.00 H new ATOM 661 N SER A 44 -3.706 -0.557 7.568 1.00 0.00 N ATOM 662 CA SER A 44 -4.826 0.367 7.513 1.00 0.00 C ATOM 663 C SER A 44 -4.316 1.799 7.343 1.00 0.00 C ATOM 664 O SER A 44 -3.110 2.038 7.351 1.00 0.00 O ATOM 665 CB SER A 44 -5.694 0.257 8.767 1.00 0.00 C ATOM 666 OG SER A 44 -6.381 1.473 9.050 1.00 0.00 O ATOM 0 H SER A 44 -2.872 -0.247 7.069 1.00 0.00 H new ATOM 0 HA SER A 44 -5.443 0.104 6.654 1.00 0.00 H new ATOM 0 HB2 SER A 44 -6.419 -0.547 8.637 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.069 -0.012 9.618 1.00 0.00 H new ATOM 0 HG SER A 44 -6.925 1.361 9.857 1.00 0.00 H new ATOM 672 N VAL A 45 -5.261 2.717 7.195 1.00 0.00 N ATOM 673 CA VAL A 45 -4.923 4.119 7.024 1.00 0.00 C ATOM 674 C VAL A 45 -4.790 4.777 8.398 1.00 0.00 C ATOM 675 O VAL A 45 -5.657 4.615 9.255 1.00 0.00 O ATOM 676 CB VAL A 45 -5.960 4.803 6.131 1.00 0.00 C ATOM 677 CG1 VAL A 45 -6.086 4.082 4.787 1.00 0.00 C ATOM 678 CG2 VAL A 45 -7.315 4.893 6.834 1.00 0.00 C ATOM 0 H VAL A 45 -6.261 2.516 7.190 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.962 4.222 6.519 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.616 5.819 5.936 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.829 4.588 4.171 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.123 4.093 4.276 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.395 3.050 4.955 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.034 5.383 6.177 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.668 3.890 7.074 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.211 5.470 7.753 1.00 0.00 H new ATOM 688 N VAL A 46 -3.697 5.508 8.567 1.00 0.00 N ATOM 689 CA VAL A 46 -3.440 6.192 9.822 1.00 0.00 C ATOM 690 C VAL A 46 -4.713 6.904 10.280 1.00 0.00 C ATOM 691 O VAL A 46 -4.900 7.143 11.472 1.00 0.00 O ATOM 692 CB VAL A 46 -2.247 7.139 9.667 1.00 0.00 C ATOM 693 CG1 VAL A 46 -2.233 8.188 10.781 1.00 0.00 C ATOM 694 CG2 VAL A 46 -0.931 6.362 9.627 1.00 0.00 C ATOM 0 H VAL A 46 -2.979 5.641 7.854 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.171 5.476 10.599 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.354 7.661 8.716 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.376 8.848 10.648 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.152 8.773 10.741 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.161 7.691 11.748 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.100 7.059 9.516 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.812 5.800 10.553 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.941 5.673 8.783 1.00 0.00 H new ATOM 704 N LYS A 47 -5.557 7.224 9.310 1.00 0.00 N ATOM 705 CA LYS A 47 -6.807 7.904 9.599 1.00 0.00 C ATOM 706 C LYS A 47 -6.529 9.386 9.858 1.00 0.00 C ATOM 707 O LYS A 47 -6.085 9.758 10.943 1.00 0.00 O ATOM 708 CB LYS A 47 -7.544 7.207 10.744 1.00 0.00 C ATOM 709 CG LYS A 47 -8.965 7.757 10.898 1.00 0.00 C ATOM 710 CD LYS A 47 -9.993 6.624 10.889 1.00 0.00 C ATOM 711 CE LYS A 47 -10.322 6.193 9.458 1.00 0.00 C ATOM 712 NZ LYS A 47 -10.816 4.799 9.437 1.00 0.00 N ATOM 0 H LYS A 47 -5.399 7.024 8.322 1.00 0.00 H new ATOM 0 HA LYS A 47 -7.477 7.851 8.741 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.584 6.134 10.556 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.993 7.347 11.674 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -9.043 8.317 11.830 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -9.179 8.454 10.088 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -9.606 5.773 11.449 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -10.903 6.950 11.393 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -11.075 6.858 9.036 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -9.434 6.280 8.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -11.034 4.523 8.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -10.085 4.166 9.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -11.676 4.727 10.017 1.00 0.00 H new ATOM 726 N GLY A 48 -6.802 10.192 8.842 1.00 0.00 N ATOM 727 CA GLY A 48 -6.587 11.626 8.946 1.00 0.00 C ATOM 728 C GLY A 48 -5.472 12.083 8.003 1.00 0.00 C ATOM 729 O GLY A 48 -4.986 13.208 8.108 1.00 0.00 O ATOM 0 H GLY A 48 -7.170 9.880 7.943 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -7.510 12.154 8.706 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -6.329 11.885 9.973 1.00 0.00 H new ATOM 733 N GLY A 49 -5.099 11.186 7.102 1.00 0.00 N ATOM 734 CA GLY A 49 -4.050 11.483 6.142 1.00 0.00 C ATOM 735 C GLY A 49 -4.642 11.984 4.822 1.00 0.00 C ATOM 736 O GLY A 49 -5.859 11.995 4.650 1.00 0.00 O ATOM 0 H GLY A 49 -5.504 10.254 7.017 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.378 12.237 6.553 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.453 10.589 5.961 1.00 0.00 H new ATOM 740 N ALA A 50 -3.752 12.385 3.926 1.00 0.00 N ATOM 741 CA ALA A 50 -4.172 12.886 2.627 1.00 0.00 C ATOM 742 C ALA A 50 -4.638 11.714 1.760 1.00 0.00 C ATOM 743 O ALA A 50 -5.776 11.694 1.297 1.00 0.00 O ATOM 744 CB ALA A 50 -3.023 13.665 1.986 1.00 0.00 C ATOM 0 H ALA A 50 -2.743 12.373 4.073 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.012 13.572 2.733 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.337 14.041 1.012 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.749 14.503 2.627 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.163 13.007 1.861 1.00 0.00 H new ATOM 750 N ALA A 51 -3.732 10.766 1.567 1.00 0.00 N ATOM 751 CA ALA A 51 -4.036 9.594 0.764 1.00 0.00 C ATOM 752 C ALA A 51 -4.909 8.637 1.576 1.00 0.00 C ATOM 753 O ALA A 51 -5.427 7.657 1.041 1.00 0.00 O ATOM 754 CB ALA A 51 -2.732 8.942 0.299 1.00 0.00 C ATOM 0 H ALA A 51 -2.788 10.786 1.953 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.597 9.875 -0.128 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.960 8.063 -0.303 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.162 9.654 -0.298 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.144 8.645 1.167 1.00 0.00 H new ATOM 760 N ASP A 52 -5.047 8.952 2.855 1.00 0.00 N ATOM 761 CA ASP A 52 -5.848 8.132 3.748 1.00 0.00 C ATOM 762 C ASP A 52 -7.327 8.470 3.553 1.00 0.00 C ATOM 763 O ASP A 52 -8.143 7.582 3.304 1.00 0.00 O ATOM 764 CB ASP A 52 -5.492 8.400 5.212 1.00 0.00 C ATOM 765 CG ASP A 52 -6.686 8.491 6.162 1.00 0.00 C ATOM 766 OD1 ASP A 52 -7.176 7.412 6.564 1.00 0.00 O ATOM 767 OD2 ASP A 52 -7.085 9.636 6.466 1.00 0.00 O ATOM 0 H ASP A 52 -4.617 9.765 3.295 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.649 7.086 3.514 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.830 7.607 5.560 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.930 9.332 5.269 1.00 0.00 H new ATOM 772 N VAL A 53 -7.629 9.754 3.671 1.00 0.00 N ATOM 773 CA VAL A 53 -8.996 10.220 3.512 1.00 0.00 C ATOM 774 C VAL A 53 -9.356 10.229 2.024 1.00 0.00 C ATOM 775 O VAL A 53 -10.503 9.976 1.659 1.00 0.00 O ATOM 776 CB VAL A 53 -9.164 11.590 4.174 1.00 0.00 C ATOM 777 CG1 VAL A 53 -10.586 12.119 3.987 1.00 0.00 C ATOM 778 CG2 VAL A 53 -8.792 11.528 5.656 1.00 0.00 C ATOM 0 H VAL A 53 -6.950 10.487 3.875 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.690 9.545 4.013 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.483 12.286 3.685 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -10.678 13.093 4.467 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -10.801 12.217 2.923 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -11.295 11.424 4.438 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -8.919 12.513 6.105 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -9.438 10.812 6.164 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -7.753 11.215 5.758 1.00 0.00 H new ATOM 788 N ASP A 54 -8.354 10.521 1.206 1.00 0.00 N ATOM 789 CA ASP A 54 -8.552 10.565 -0.231 1.00 0.00 C ATOM 790 C ASP A 54 -8.564 9.139 -0.785 1.00 0.00 C ATOM 791 O ASP A 54 -9.457 8.770 -1.546 1.00 0.00 O ATOM 792 CB ASP A 54 -7.419 11.329 -0.920 1.00 0.00 C ATOM 793 CG ASP A 54 -7.654 11.640 -2.399 1.00 0.00 C ATOM 794 OD1 ASP A 54 -8.843 11.722 -2.779 1.00 0.00 O ATOM 795 OD2 ASP A 54 -6.640 11.789 -3.116 1.00 0.00 O ATOM 0 H ASP A 54 -7.404 10.729 1.513 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.499 11.070 -0.425 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.258 12.267 -0.388 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.501 10.748 -0.828 1.00 0.00 H new ATOM 800 N GLY A 55 -7.561 8.372 -0.379 1.00 0.00 N ATOM 801 CA GLY A 55 -7.444 6.995 -0.825 1.00 0.00 C ATOM 802 C GLY A 55 -8.546 6.126 -0.216 1.00 0.00 C ATOM 803 O GLY A 55 -9.226 5.389 -0.928 1.00 0.00 O ATOM 0 H GLY A 55 -6.823 8.679 0.254 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -7.504 6.955 -1.913 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.468 6.600 -0.545 1.00 0.00 H new ATOM 807 N ARG A 56 -8.689 6.243 1.095 1.00 0.00 N ATOM 808 CA ARG A 56 -9.699 5.478 1.809 1.00 0.00 C ATOM 809 C ARG A 56 -9.526 3.984 1.532 1.00 0.00 C ATOM 810 O ARG A 56 -10.499 3.281 1.262 1.00 0.00 O ATOM 811 CB ARG A 56 -11.109 5.906 1.397 1.00 0.00 C ATOM 812 CG ARG A 56 -12.156 5.341 2.359 1.00 0.00 C ATOM 813 CD ARG A 56 -13.390 6.243 2.417 1.00 0.00 C ATOM 814 NE ARG A 56 -13.902 6.313 3.803 1.00 0.00 N ATOM 815 CZ ARG A 56 -14.883 7.133 4.204 1.00 0.00 C ATOM 816 NH1 ARG A 56 -15.465 7.960 3.323 1.00 0.00 N ATOM 817 NH2 ARG A 56 -15.283 7.128 5.481 1.00 0.00 N ATOM 0 H ARG A 56 -8.123 6.855 1.682 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.570 5.672 2.874 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -11.173 6.994 1.382 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -11.316 5.561 0.384 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -12.447 4.341 2.039 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -11.725 5.244 3.355 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -13.137 7.242 2.063 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -14.164 5.857 1.754 1.00 0.00 H new ATOM 0 HE ARG A 56 -13.481 5.697 4.499 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -15.161 7.964 2.349 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -16.212 8.585 3.627 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -14.841 6.499 6.151 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -16.030 7.753 5.784 1.00 0.00 H new ATOM 831 N LEU A 57 -8.279 3.539 1.606 1.00 0.00 N ATOM 832 CA LEU A 57 -7.967 2.141 1.367 1.00 0.00 C ATOM 833 C LEU A 57 -8.530 1.294 2.508 1.00 0.00 C ATOM 834 O LEU A 57 -8.871 1.819 3.567 1.00 0.00 O ATOM 835 CB LEU A 57 -6.463 1.957 1.150 1.00 0.00 C ATOM 836 CG LEU A 57 -5.862 2.700 -0.044 1.00 0.00 C ATOM 837 CD1 LEU A 57 -4.346 2.850 0.108 1.00 0.00 C ATOM 838 CD2 LEU A 57 -6.241 2.020 -1.361 1.00 0.00 C ATOM 0 H LEU A 57 -7.473 4.123 1.828 1.00 0.00 H new ATOM 0 HA LEU A 57 -8.444 1.797 0.449 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.944 2.280 2.052 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.261 0.893 1.029 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.284 3.705 -0.067 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.945 3.382 -0.755 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.125 3.412 1.016 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.887 1.863 0.172 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.801 2.569 -2.194 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.867 0.996 -1.363 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -7.326 2.010 -1.466 1.00 0.00 H new ATOM 850 N ALA A 58 -8.614 -0.005 2.255 1.00 0.00 N ATOM 851 CA ALA A 58 -9.132 -0.929 3.248 1.00 0.00 C ATOM 852 C ALA A 58 -7.962 -1.594 3.978 1.00 0.00 C ATOM 853 O ALA A 58 -6.829 -1.562 3.499 1.00 0.00 O ATOM 854 CB ALA A 58 -10.047 -1.948 2.568 1.00 0.00 C ATOM 0 H ALA A 58 -8.332 -0.438 1.376 1.00 0.00 H new ATOM 0 HA ALA A 58 -9.728 -0.399 3.991 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -10.436 -2.642 3.313 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.876 -1.429 2.088 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -9.482 -2.501 1.818 1.00 0.00 H new ATOM 860 N ALA A 59 -8.277 -2.179 5.125 1.00 0.00 N ATOM 861 CA ALA A 59 -7.268 -2.850 5.924 1.00 0.00 C ATOM 862 C ALA A 59 -7.226 -4.332 5.551 1.00 0.00 C ATOM 863 O ALA A 59 -8.236 -5.028 5.643 1.00 0.00 O ATOM 864 CB ALA A 59 -7.564 -2.632 7.411 1.00 0.00 C ATOM 0 H ALA A 59 -9.218 -2.201 5.519 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.282 -2.432 5.722 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.806 -3.136 8.011 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -7.551 -1.565 7.632 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.546 -3.040 7.650 1.00 0.00 H new ATOM 870 N GLY A 60 -6.048 -4.773 5.133 1.00 0.00 N ATOM 871 CA GLY A 60 -5.862 -6.160 4.744 1.00 0.00 C ATOM 872 C GLY A 60 -5.442 -6.266 3.275 1.00 0.00 C ATOM 873 O GLY A 60 -5.492 -7.345 2.690 1.00 0.00 O ATOM 0 H GLY A 60 -5.213 -4.193 5.055 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.103 -6.620 5.377 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.788 -6.713 4.902 1.00 0.00 H new ATOM 877 N ASP A 61 -5.036 -5.129 2.726 1.00 0.00 N ATOM 878 CA ASP A 61 -4.607 -5.081 1.340 1.00 0.00 C ATOM 879 C ASP A 61 -3.228 -5.736 1.213 1.00 0.00 C ATOM 880 O ASP A 61 -2.247 -5.235 1.760 1.00 0.00 O ATOM 881 CB ASP A 61 -4.489 -3.637 0.849 1.00 0.00 C ATOM 882 CG ASP A 61 -5.532 -2.673 1.424 1.00 0.00 C ATOM 883 OD1 ASP A 61 -6.660 -3.145 1.679 1.00 0.00 O ATOM 884 OD2 ASP A 61 -5.176 -1.488 1.593 1.00 0.00 O ATOM 0 H ASP A 61 -4.996 -4.236 3.217 1.00 0.00 H new ATOM 0 HA ASP A 61 -5.349 -5.607 0.740 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.495 -3.264 1.097 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.570 -3.630 -0.238 1.00 0.00 H new ATOM 889 N GLN A 62 -3.200 -6.845 0.489 1.00 0.00 N ATOM 890 CA GLN A 62 -1.959 -7.572 0.284 1.00 0.00 C ATOM 891 C GLN A 62 -1.063 -6.827 -0.709 1.00 0.00 C ATOM 892 O GLN A 62 -1.370 -6.763 -1.898 1.00 0.00 O ATOM 893 CB GLN A 62 -2.233 -9.001 -0.189 1.00 0.00 C ATOM 894 CG GLN A 62 -0.926 -9.761 -0.424 1.00 0.00 C ATOM 895 CD GLN A 62 -1.065 -10.745 -1.588 1.00 0.00 C ATOM 896 OE1 GLN A 62 -1.673 -10.461 -2.606 1.00 0.00 O ATOM 897 NE2 GLN A 62 -0.468 -11.916 -1.380 1.00 0.00 N ATOM 0 H GLN A 62 -4.016 -7.258 0.037 1.00 0.00 H new ATOM 0 HA GLN A 62 -1.436 -7.634 1.238 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -2.834 -9.525 0.554 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -2.815 -8.978 -1.110 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.123 -9.054 -0.634 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -0.647 -10.300 0.481 1.00 0.00 H new ATOM 0 HE21 GLN A 62 0.025 -12.089 -0.504 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -0.503 -12.641 -2.097 1.00 0.00 H new ATOM 906 N LEU A 63 0.023 -6.283 -0.183 1.00 0.00 N ATOM 907 CA LEU A 63 0.964 -5.545 -1.008 1.00 0.00 C ATOM 908 C LEU A 63 2.007 -6.511 -1.573 1.00 0.00 C ATOM 909 O LEU A 63 2.281 -7.551 -0.978 1.00 0.00 O ATOM 910 CB LEU A 63 1.568 -4.379 -0.222 1.00 0.00 C ATOM 911 CG LEU A 63 2.643 -3.567 -0.946 1.00 0.00 C ATOM 912 CD1 LEU A 63 2.130 -2.169 -1.297 1.00 0.00 C ATOM 913 CD2 LEU A 63 3.935 -3.513 -0.126 1.00 0.00 C ATOM 0 H LEU A 63 0.273 -6.338 0.804 1.00 0.00 H new ATOM 0 HA LEU A 63 0.452 -5.094 -1.858 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.762 -3.703 0.064 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.997 -4.772 0.700 1.00 0.00 H new ATOM 0 HG LEU A 63 2.877 -4.070 -1.884 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.914 -1.612 -1.811 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.259 -2.254 -1.947 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.851 -1.644 -0.383 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.683 -2.930 -0.663 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.735 -3.046 0.838 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.308 -4.525 0.032 1.00 0.00 H new ATOM 925 N LEU A 64 2.561 -6.132 -2.715 1.00 0.00 N ATOM 926 CA LEU A 64 3.568 -6.951 -3.368 1.00 0.00 C ATOM 927 C LEU A 64 4.616 -6.044 -4.017 1.00 0.00 C ATOM 928 O LEU A 64 5.811 -6.330 -3.960 1.00 0.00 O ATOM 929 CB LEU A 64 2.913 -7.930 -4.344 1.00 0.00 C ATOM 930 CG LEU A 64 2.059 -9.033 -3.715 1.00 0.00 C ATOM 931 CD1 LEU A 64 0.667 -9.077 -4.345 1.00 0.00 C ATOM 932 CD2 LEU A 64 2.768 -10.387 -3.797 1.00 0.00 C ATOM 0 H LEU A 64 2.331 -5.268 -3.205 1.00 0.00 H new ATOM 0 HA LEU A 64 4.089 -7.568 -2.636 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.288 -7.362 -5.033 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.697 -8.399 -4.938 1.00 0.00 H new ATOM 0 HG LEU A 64 1.926 -8.801 -2.658 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.082 -9.870 -3.879 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.168 -8.120 -4.192 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.757 -9.273 -5.413 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.141 -11.154 -3.343 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.951 -10.639 -4.841 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.718 -10.333 -3.265 1.00 0.00 H new ATOM 944 N SER A 65 4.129 -4.969 -4.620 1.00 0.00 N ATOM 945 CA SER A 65 5.008 -4.019 -5.280 1.00 0.00 C ATOM 946 C SER A 65 4.864 -2.640 -4.635 1.00 0.00 C ATOM 947 O SER A 65 3.953 -2.413 -3.842 1.00 0.00 O ATOM 948 CB SER A 65 4.708 -3.939 -6.778 1.00 0.00 C ATOM 949 OG SER A 65 5.332 -4.994 -7.504 1.00 0.00 O ATOM 0 H SER A 65 3.137 -4.735 -4.665 1.00 0.00 H new ATOM 0 HA SER A 65 6.035 -4.363 -5.162 1.00 0.00 H new ATOM 0 HB2 SER A 65 3.630 -3.979 -6.935 1.00 0.00 H new ATOM 0 HB3 SER A 65 5.051 -2.980 -7.166 1.00 0.00 H new ATOM 0 HG SER A 65 5.182 -4.864 -8.464 1.00 0.00 H new ATOM 955 N VAL A 66 5.780 -1.752 -5.000 1.00 0.00 N ATOM 956 CA VAL A 66 5.767 -0.401 -4.469 1.00 0.00 C ATOM 957 C VAL A 66 5.649 0.597 -5.621 1.00 0.00 C ATOM 958 O VAL A 66 5.494 0.201 -6.776 1.00 0.00 O ATOM 959 CB VAL A 66 7.005 -0.168 -3.601 1.00 0.00 C ATOM 960 CG1 VAL A 66 6.668 0.694 -2.383 1.00 0.00 C ATOM 961 CG2 VAL A 66 7.634 -1.497 -3.174 1.00 0.00 C ATOM 0 H VAL A 66 6.536 -1.944 -5.658 1.00 0.00 H new ATOM 0 HA VAL A 66 4.901 -0.254 -3.824 1.00 0.00 H new ATOM 0 HB VAL A 66 7.737 0.372 -4.202 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.566 0.844 -1.784 1.00 0.00 H new ATOM 0 HG12 VAL A 66 6.288 1.660 -2.715 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.910 0.193 -1.781 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.512 -1.303 -2.558 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.909 -2.075 -2.601 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.929 -2.061 -4.059 1.00 0.00 H new ATOM 971 N ASP A 67 5.726 1.871 -5.271 1.00 0.00 N ATOM 972 CA ASP A 67 5.630 2.928 -6.261 1.00 0.00 C ATOM 973 C ASP A 67 6.833 2.850 -7.203 1.00 0.00 C ATOM 974 O ASP A 67 7.968 3.076 -6.785 1.00 0.00 O ATOM 975 CB ASP A 67 5.637 4.308 -5.600 1.00 0.00 C ATOM 976 CG ASP A 67 5.554 5.490 -6.568 1.00 0.00 C ATOM 977 OD1 ASP A 67 5.579 5.227 -7.789 1.00 0.00 O ATOM 978 OD2 ASP A 67 5.469 6.631 -6.063 1.00 0.00 O ATOM 0 H ASP A 67 5.854 2.196 -4.313 1.00 0.00 H new ATOM 0 HA ASP A 67 4.695 2.794 -6.805 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.798 4.366 -4.907 1.00 0.00 H new ATOM 0 HB3 ASP A 67 6.547 4.406 -5.008 1.00 0.00 H new ATOM 983 N GLY A 68 6.546 2.529 -8.457 1.00 0.00 N ATOM 984 CA GLY A 68 7.591 2.419 -9.459 1.00 0.00 C ATOM 985 C GLY A 68 8.652 1.403 -9.035 1.00 0.00 C ATOM 986 O GLY A 68 9.733 1.346 -9.621 1.00 0.00 O ATOM 0 H GLY A 68 5.604 2.342 -8.801 1.00 0.00 H new ATOM 0 HA2 GLY A 68 7.156 2.119 -10.412 1.00 0.00 H new ATOM 0 HA3 GLY A 68 8.056 3.393 -9.613 1.00 0.00 H new ATOM 990 N ARG A 69 8.310 0.624 -8.019 1.00 0.00 N ATOM 991 CA ARG A 69 9.220 -0.387 -7.510 1.00 0.00 C ATOM 992 C ARG A 69 8.508 -1.737 -7.403 1.00 0.00 C ATOM 993 O ARG A 69 8.196 -2.193 -6.303 1.00 0.00 O ATOM 994 CB ARG A 69 9.764 0.006 -6.135 1.00 0.00 C ATOM 995 CG ARG A 69 11.141 0.659 -6.256 1.00 0.00 C ATOM 996 CD ARG A 69 12.194 -0.127 -5.472 1.00 0.00 C ATOM 997 NE ARG A 69 12.695 -1.253 -6.291 1.00 0.00 N ATOM 998 CZ ARG A 69 13.524 -1.114 -7.334 1.00 0.00 C ATOM 999 NH1 ARG A 69 13.947 0.106 -7.693 1.00 0.00 N ATOM 1000 NH2 ARG A 69 13.928 -2.192 -8.021 1.00 0.00 N ATOM 0 H ARG A 69 7.414 0.673 -7.534 1.00 0.00 H new ATOM 0 HA ARG A 69 10.053 -0.467 -8.209 1.00 0.00 H new ATOM 0 HB2 ARG A 69 9.072 0.695 -5.650 1.00 0.00 H new ATOM 0 HB3 ARG A 69 9.831 -0.878 -5.501 1.00 0.00 H new ATOM 0 HG2 ARG A 69 11.430 0.713 -7.306 1.00 0.00 H new ATOM 0 HG3 ARG A 69 11.095 1.683 -5.884 1.00 0.00 H new ATOM 0 HD2 ARG A 69 13.020 0.529 -5.196 1.00 0.00 H new ATOM 0 HD3 ARG A 69 11.763 -0.504 -4.544 1.00 0.00 H new ATOM 0 HE ARG A 69 12.390 -2.195 -6.046 1.00 0.00 H new ATOM 0 HH11 ARG A 69 13.638 0.927 -7.172 1.00 0.00 H new ATOM 0 HH12 ARG A 69 14.578 0.214 -8.487 1.00 0.00 H new ATOM 0 HH21 ARG A 69 13.604 -3.120 -7.750 1.00 0.00 H new ATOM 0 HH22 ARG A 69 14.559 -2.084 -8.815 1.00 0.00 H new ATOM 1014 N SER A 70 8.270 -2.338 -8.560 1.00 0.00 N ATOM 1015 CA SER A 70 7.601 -3.625 -8.611 1.00 0.00 C ATOM 1016 C SER A 70 8.449 -4.685 -7.905 1.00 0.00 C ATOM 1017 O SER A 70 9.553 -4.999 -8.350 1.00 0.00 O ATOM 1018 CB SER A 70 7.322 -4.045 -10.055 1.00 0.00 C ATOM 1019 OG SER A 70 8.382 -3.676 -10.933 1.00 0.00 O ATOM 0 H SER A 70 8.529 -1.956 -9.470 1.00 0.00 H new ATOM 0 HA SER A 70 6.644 -3.532 -8.097 1.00 0.00 H new ATOM 0 HB2 SER A 70 7.176 -5.124 -10.097 1.00 0.00 H new ATOM 0 HB3 SER A 70 6.394 -3.584 -10.394 1.00 0.00 H new ATOM 0 HG SER A 70 8.166 -3.963 -11.845 1.00 0.00 H new ATOM 1025 N LEU A 71 7.903 -5.206 -6.816 1.00 0.00 N ATOM 1026 CA LEU A 71 8.595 -6.224 -6.045 1.00 0.00 C ATOM 1027 C LEU A 71 7.967 -7.590 -6.328 1.00 0.00 C ATOM 1028 O LEU A 71 8.659 -8.606 -6.332 1.00 0.00 O ATOM 1029 CB LEU A 71 8.614 -5.851 -4.562 1.00 0.00 C ATOM 1030 CG LEU A 71 8.331 -4.384 -4.235 1.00 0.00 C ATOM 1031 CD1 LEU A 71 7.375 -4.259 -3.047 1.00 0.00 C ATOM 1032 CD2 LEU A 71 9.635 -3.611 -4.005 1.00 0.00 C ATOM 0 H LEU A 71 6.989 -4.942 -6.449 1.00 0.00 H new ATOM 0 HA LEU A 71 9.640 -6.286 -6.348 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.879 -6.466 -4.044 1.00 0.00 H new ATOM 0 HB3 LEU A 71 9.591 -6.111 -4.155 1.00 0.00 H new ATOM 0 HG LEU A 71 7.835 -3.934 -5.095 1.00 0.00 H new ATOM 0 HD11 LEU A 71 7.192 -3.205 -2.837 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.432 -4.751 -3.285 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.819 -4.732 -2.171 1.00 0.00 H new ATOM 0 HD21 LEU A 71 9.405 -2.571 -3.774 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.180 -4.056 -3.172 1.00 0.00 H new ATOM 0 HD23 LEU A 71 10.248 -3.656 -4.905 1.00 0.00 H new ATOM 1044 N VAL A 72 6.664 -7.568 -6.559 1.00 0.00 N ATOM 1045 CA VAL A 72 5.933 -8.792 -6.842 1.00 0.00 C ATOM 1046 C VAL A 72 5.658 -9.532 -5.532 1.00 0.00 C ATOM 1047 O VAL A 72 4.941 -10.532 -5.517 1.00 0.00 O ATOM 1048 CB VAL A 72 6.705 -9.639 -7.855 1.00 0.00 C ATOM 1049 CG1 VAL A 72 7.568 -8.758 -8.763 1.00 0.00 C ATOM 1050 CG2 VAL A 72 7.555 -10.698 -7.151 1.00 0.00 C ATOM 0 H VAL A 72 6.094 -6.722 -6.556 1.00 0.00 H new ATOM 0 HA VAL A 72 4.968 -8.564 -7.295 1.00 0.00 H new ATOM 0 HB VAL A 72 5.978 -10.156 -8.482 1.00 0.00 H new ATOM 0 HG11 VAL A 72 8.106 -9.385 -9.474 1.00 0.00 H new ATOM 0 HG12 VAL A 72 6.930 -8.060 -9.305 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.283 -8.201 -8.157 1.00 0.00 H new ATOM 0 HG21 VAL A 72 8.093 -11.286 -7.895 1.00 0.00 H new ATOM 0 HG22 VAL A 72 8.269 -10.210 -6.488 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.909 -11.354 -6.568 1.00 0.00 H new ATOM 1060 N GLY A 73 6.241 -9.013 -4.461 1.00 0.00 N ATOM 1061 CA GLY A 73 6.068 -9.612 -3.149 1.00 0.00 C ATOM 1062 C GLY A 73 7.377 -9.588 -2.358 1.00 0.00 C ATOM 1063 O GLY A 73 7.892 -10.637 -1.974 1.00 0.00 O ATOM 0 H GLY A 73 6.834 -8.183 -4.476 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.296 -9.074 -2.598 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.723 -10.640 -3.257 1.00 0.00 H new ATOM 1067 N LEU A 74 7.879 -8.382 -2.139 1.00 0.00 N ATOM 1068 CA LEU A 74 9.118 -8.208 -1.402 1.00 0.00 C ATOM 1069 C LEU A 74 8.810 -7.613 -0.026 1.00 0.00 C ATOM 1070 O LEU A 74 7.670 -7.240 0.250 1.00 0.00 O ATOM 1071 CB LEU A 74 10.116 -7.385 -2.217 1.00 0.00 C ATOM 1072 CG LEU A 74 10.625 -8.033 -3.507 1.00 0.00 C ATOM 1073 CD1 LEU A 74 11.702 -7.170 -4.167 1.00 0.00 C ATOM 1074 CD2 LEU A 74 11.116 -9.460 -3.247 1.00 0.00 C ATOM 0 H LEU A 74 7.449 -7.515 -2.460 1.00 0.00 H new ATOM 0 HA LEU A 74 9.598 -9.172 -1.233 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.650 -6.433 -2.471 1.00 0.00 H new ATOM 0 HB3 LEU A 74 10.974 -7.160 -1.584 1.00 0.00 H new ATOM 0 HG LEU A 74 9.792 -8.100 -4.207 1.00 0.00 H new ATOM 0 HD11 LEU A 74 12.046 -7.654 -5.081 1.00 0.00 H new ATOM 0 HD12 LEU A 74 11.287 -6.191 -4.408 1.00 0.00 H new ATOM 0 HD13 LEU A 74 12.542 -7.049 -3.482 1.00 0.00 H new ATOM 0 HD21 LEU A 74 11.472 -9.898 -4.179 1.00 0.00 H new ATOM 0 HD22 LEU A 74 11.930 -9.438 -2.522 1.00 0.00 H new ATOM 0 HD23 LEU A 74 10.296 -10.061 -2.854 1.00 0.00 H new ATOM 1086 N SER A 75 9.844 -7.545 0.799 1.00 0.00 N ATOM 1087 CA SER A 75 9.697 -7.001 2.138 1.00 0.00 C ATOM 1088 C SER A 75 9.573 -5.478 2.074 1.00 0.00 C ATOM 1089 O SER A 75 9.899 -4.867 1.058 1.00 0.00 O ATOM 1090 CB SER A 75 10.876 -7.402 3.027 1.00 0.00 C ATOM 1091 OG SER A 75 12.044 -7.695 2.265 1.00 0.00 O ATOM 0 H SER A 75 10.787 -7.857 0.566 1.00 0.00 H new ATOM 0 HA SER A 75 8.789 -7.414 2.577 1.00 0.00 H new ATOM 0 HB2 SER A 75 11.093 -6.595 3.727 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.602 -8.274 3.621 1.00 0.00 H new ATOM 0 HG SER A 75 12.723 -8.096 2.847 1.00 0.00 H new ATOM 1097 N GLN A 76 9.101 -4.909 3.174 1.00 0.00 N ATOM 1098 CA GLN A 76 8.930 -3.467 3.255 1.00 0.00 C ATOM 1099 C GLN A 76 10.293 -2.771 3.277 1.00 0.00 C ATOM 1100 O GLN A 76 10.376 -1.554 3.119 1.00 0.00 O ATOM 1101 CB GLN A 76 8.098 -3.082 4.481 1.00 0.00 C ATOM 1102 CG GLN A 76 8.957 -3.083 5.748 1.00 0.00 C ATOM 1103 CD GLN A 76 9.439 -4.497 6.081 1.00 0.00 C ATOM 1104 OE1 GLN A 76 10.291 -5.064 5.417 1.00 0.00 O ATOM 1105 NE2 GLN A 76 8.850 -5.031 7.147 1.00 0.00 N ATOM 0 H GLN A 76 8.832 -5.419 4.015 1.00 0.00 H new ATOM 0 HA GLN A 76 8.388 -3.134 2.370 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.662 -2.094 4.334 1.00 0.00 H new ATOM 0 HB3 GLN A 76 7.270 -3.782 4.598 1.00 0.00 H new ATOM 0 HG2 GLN A 76 9.815 -2.425 5.611 1.00 0.00 H new ATOM 0 HG3 GLN A 76 8.381 -2.685 6.583 1.00 0.00 H new ATOM 0 HE21 GLN A 76 8.144 -4.502 7.658 1.00 0.00 H new ATOM 0 HE22 GLN A 76 9.104 -5.970 7.453 1.00 0.00 H new ATOM 1114 N GLU A 77 11.328 -3.574 3.473 1.00 0.00 N ATOM 1115 CA GLU A 77 12.684 -3.051 3.517 1.00 0.00 C ATOM 1116 C GLU A 77 12.900 -2.041 2.389 1.00 0.00 C ATOM 1117 O GLU A 77 12.925 -0.834 2.626 1.00 0.00 O ATOM 1118 CB GLU A 77 13.712 -4.183 3.447 1.00 0.00 C ATOM 1119 CG GLU A 77 13.374 -5.294 4.441 1.00 0.00 C ATOM 1120 CD GLU A 77 14.568 -5.597 5.350 1.00 0.00 C ATOM 1121 OE1 GLU A 77 15.240 -4.622 5.747 1.00 0.00 O ATOM 1122 OE2 GLU A 77 14.781 -6.798 5.624 1.00 0.00 O ATOM 0 H GLU A 77 11.256 -4.583 3.603 1.00 0.00 H new ATOM 0 HA GLU A 77 12.824 -2.538 4.468 1.00 0.00 H new ATOM 0 HB2 GLU A 77 13.741 -4.591 2.437 1.00 0.00 H new ATOM 0 HB3 GLU A 77 14.706 -3.790 3.660 1.00 0.00 H new ATOM 0 HG2 GLU A 77 12.517 -4.997 5.046 1.00 0.00 H new ATOM 0 HG3 GLU A 77 13.086 -6.196 3.900 1.00 0.00 H new ATOM 1129 N ARG A 78 13.050 -2.572 1.184 1.00 0.00 N ATOM 1130 CA ARG A 78 13.263 -1.733 0.016 1.00 0.00 C ATOM 1131 C ARG A 78 12.069 -0.800 -0.191 1.00 0.00 C ATOM 1132 O ARG A 78 12.238 0.409 -0.338 1.00 0.00 O ATOM 1133 CB ARG A 78 13.466 -2.579 -1.241 1.00 0.00 C ATOM 1134 CG ARG A 78 14.639 -3.546 -1.069 1.00 0.00 C ATOM 1135 CD ARG A 78 14.154 -4.997 -1.043 1.00 0.00 C ATOM 1136 NE ARG A 78 15.074 -5.825 -0.233 1.00 0.00 N ATOM 1137 CZ ARG A 78 16.243 -6.307 -0.680 1.00 0.00 C ATOM 1138 NH1 ARG A 78 16.638 -6.047 -1.934 1.00 0.00 N ATOM 1139 NH2 ARG A 78 17.014 -7.048 0.125 1.00 0.00 N ATOM 0 H ARG A 78 13.028 -3.573 0.991 1.00 0.00 H new ATOM 0 HA ARG A 78 14.163 -1.143 0.191 1.00 0.00 H new ATOM 0 HB2 ARG A 78 12.557 -3.140 -1.457 1.00 0.00 H new ATOM 0 HB3 ARG A 78 13.649 -1.928 -2.096 1.00 0.00 H new ATOM 0 HG2 ARG A 78 15.349 -3.411 -1.885 1.00 0.00 H new ATOM 0 HG3 ARG A 78 15.169 -3.319 -0.144 1.00 0.00 H new ATOM 0 HD2 ARG A 78 13.147 -5.045 -0.627 1.00 0.00 H new ATOM 0 HD3 ARG A 78 14.098 -5.389 -2.059 1.00 0.00 H new ATOM 0 HE ARG A 78 14.802 -6.043 0.726 1.00 0.00 H new ATOM 0 HH11 ARG A 78 16.050 -5.483 -2.547 1.00 0.00 H new ATOM 0 HH12 ARG A 78 17.527 -6.413 -2.275 1.00 0.00 H new ATOM 0 HH21 ARG A 78 16.713 -7.246 1.079 1.00 0.00 H new ATOM 0 HH22 ARG A 78 17.903 -7.414 -0.216 1.00 0.00 H new ATOM 1153 N ALA A 79 10.886 -1.398 -0.195 1.00 0.00 N ATOM 1154 CA ALA A 79 9.663 -0.636 -0.384 1.00 0.00 C ATOM 1155 C ALA A 79 9.645 0.539 0.595 1.00 0.00 C ATOM 1156 O ALA A 79 10.065 1.644 0.253 1.00 0.00 O ATOM 1157 CB ALA A 79 8.455 -1.558 -0.211 1.00 0.00 C ATOM 0 H ALA A 79 10.749 -2.401 -0.070 1.00 0.00 H new ATOM 0 HA ALA A 79 9.617 -0.226 -1.393 1.00 0.00 H new ATOM 0 HB1 ALA A 79 7.538 -0.986 -0.353 1.00 0.00 H new ATOM 0 HB2 ALA A 79 8.501 -2.360 -0.948 1.00 0.00 H new ATOM 0 HB3 ALA A 79 8.465 -1.986 0.791 1.00 0.00 H new ATOM 1163 N ALA A 80 9.153 0.263 1.795 1.00 0.00 N ATOM 1164 CA ALA A 80 9.075 1.282 2.825 1.00 0.00 C ATOM 1165 C ALA A 80 9.809 2.539 2.351 1.00 0.00 C ATOM 1166 O ALA A 80 9.180 3.509 1.930 1.00 0.00 O ATOM 1167 CB ALA A 80 9.647 0.733 4.133 1.00 0.00 C ATOM 0 H ALA A 80 8.804 -0.654 2.075 1.00 0.00 H new ATOM 0 HA ALA A 80 8.037 1.557 3.013 1.00 0.00 H new ATOM 0 HB1 ALA A 80 9.588 1.499 4.906 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.073 -0.140 4.443 1.00 0.00 H new ATOM 0 HB3 ALA A 80 10.688 0.448 3.983 1.00 0.00 H new ATOM 1173 N GLU A 81 11.130 2.480 2.433 1.00 0.00 N ATOM 1174 CA GLU A 81 11.956 3.600 2.017 1.00 0.00 C ATOM 1175 C GLU A 81 11.393 4.232 0.743 1.00 0.00 C ATOM 1176 O GLU A 81 10.852 5.336 0.780 1.00 0.00 O ATOM 1177 CB GLU A 81 13.410 3.165 1.818 1.00 0.00 C ATOM 1178 CG GLU A 81 14.295 4.360 1.456 1.00 0.00 C ATOM 1179 CD GLU A 81 15.754 4.093 1.829 1.00 0.00 C ATOM 1180 OE1 GLU A 81 16.116 4.420 2.980 1.00 0.00 O ATOM 1181 OE2 GLU A 81 16.476 3.569 0.953 1.00 0.00 O ATOM 0 H GLU A 81 11.649 1.674 2.781 1.00 0.00 H new ATOM 0 HA GLU A 81 11.941 4.350 2.808 1.00 0.00 H new ATOM 0 HB2 GLU A 81 13.781 2.696 2.729 1.00 0.00 H new ATOM 0 HB3 GLU A 81 13.464 2.415 1.029 1.00 0.00 H new ATOM 0 HG2 GLU A 81 14.220 4.562 0.388 1.00 0.00 H new ATOM 0 HG3 GLU A 81 13.940 5.251 1.975 1.00 0.00 H new ATOM 1188 N LEU A 82 11.539 3.504 -0.354 1.00 0.00 N ATOM 1189 CA LEU A 82 11.050 3.978 -1.638 1.00 0.00 C ATOM 1190 C LEU A 82 9.522 3.923 -1.650 1.00 0.00 C ATOM 1191 O LEU A 82 8.900 4.062 -2.702 1.00 0.00 O ATOM 1192 CB LEU A 82 11.703 3.200 -2.781 1.00 0.00 C ATOM 1193 CG LEU A 82 11.883 3.961 -4.095 1.00 0.00 C ATOM 1194 CD1 LEU A 82 10.690 4.879 -4.367 1.00 0.00 C ATOM 1195 CD2 LEU A 82 13.208 4.726 -4.110 1.00 0.00 C ATOM 0 H LEU A 82 11.989 2.589 -0.381 1.00 0.00 H new ATOM 0 HA LEU A 82 11.332 5.020 -1.791 1.00 0.00 H new ATOM 0 HB2 LEU A 82 12.682 2.856 -2.447 1.00 0.00 H new ATOM 0 HB3 LEU A 82 11.103 2.312 -2.978 1.00 0.00 H new ATOM 0 HG LEU A 82 11.921 3.234 -4.906 1.00 0.00 H new ATOM 0 HD11 LEU A 82 10.845 5.408 -5.308 1.00 0.00 H new ATOM 0 HD12 LEU A 82 9.780 4.283 -4.431 1.00 0.00 H new ATOM 0 HD13 LEU A 82 10.594 5.601 -3.556 1.00 0.00 H new ATOM 0 HD21 LEU A 82 13.310 5.258 -5.056 1.00 0.00 H new ATOM 0 HD22 LEU A 82 13.225 5.441 -3.288 1.00 0.00 H new ATOM 0 HD23 LEU A 82 14.035 4.024 -3.997 1.00 0.00 H new ATOM 1207 N MET A 83 8.960 3.720 -0.467 1.00 0.00 N ATOM 1208 CA MET A 83 7.515 3.646 -0.328 1.00 0.00 C ATOM 1209 C MET A 83 6.996 4.746 0.600 1.00 0.00 C ATOM 1210 O MET A 83 5.787 4.913 0.754 1.00 0.00 O ATOM 1211 CB MET A 83 7.127 2.277 0.234 1.00 0.00 C ATOM 1212 CG MET A 83 5.653 1.970 -0.038 1.00 0.00 C ATOM 1213 SD MET A 83 5.327 0.238 0.244 1.00 0.00 S ATOM 1214 CE MET A 83 4.785 0.297 1.944 1.00 0.00 C ATOM 0 H MET A 83 9.479 3.605 0.404 1.00 0.00 H new ATOM 0 HA MET A 83 7.066 3.786 -1.311 1.00 0.00 H new ATOM 0 HB2 MET A 83 7.752 1.505 -0.215 1.00 0.00 H new ATOM 0 HB3 MET A 83 7.315 2.254 1.307 1.00 0.00 H new ATOM 0 HG2 MET A 83 5.021 2.577 0.610 1.00 0.00 H new ATOM 0 HG3 MET A 83 5.402 2.233 -1.066 1.00 0.00 H new ATOM 0 HE1 MET A 83 5.355 -0.422 2.533 1.00 0.00 H new ATOM 0 HE2 MET A 83 4.944 1.299 2.342 1.00 0.00 H new ATOM 0 HE3 MET A 83 3.725 0.049 1.997 1.00 0.00 H new ATOM 1224 N THR A 84 7.935 5.465 1.197 1.00 0.00 N ATOM 1225 CA THR A 84 7.587 6.544 2.105 1.00 0.00 C ATOM 1226 C THR A 84 7.850 7.900 1.449 1.00 0.00 C ATOM 1227 O THR A 84 6.988 8.777 1.459 1.00 0.00 O ATOM 1228 CB THR A 84 8.367 6.336 3.405 1.00 0.00 C ATOM 1229 OG1 THR A 84 8.369 4.923 3.586 1.00 0.00 O ATOM 1230 CG2 THR A 84 7.618 6.867 4.628 1.00 0.00 C ATOM 0 H THR A 84 8.937 5.321 1.069 1.00 0.00 H new ATOM 0 HA THR A 84 6.523 6.535 2.341 1.00 0.00 H new ATOM 0 HB THR A 84 9.336 6.830 3.330 1.00 0.00 H new ATOM 0 HG1 THR A 84 9.086 4.525 3.049 1.00 0.00 H new ATOM 0 HG21 THR A 84 8.215 6.694 5.524 1.00 0.00 H new ATOM 0 HG22 THR A 84 7.441 7.936 4.510 1.00 0.00 H new ATOM 0 HG23 THR A 84 6.663 6.349 4.723 1.00 0.00 H new ATOM 1238 N ARG A 85 9.047 8.032 0.895 1.00 0.00 N ATOM 1239 CA ARG A 85 9.435 9.265 0.235 1.00 0.00 C ATOM 1240 C ARG A 85 8.552 9.515 -0.989 1.00 0.00 C ATOM 1241 O ARG A 85 9.046 9.582 -2.114 1.00 0.00 O ATOM 1242 CB ARG A 85 10.899 9.221 -0.204 1.00 0.00 C ATOM 1243 CG ARG A 85 11.827 9.656 0.933 1.00 0.00 C ATOM 1244 CD ARG A 85 13.245 9.119 0.719 1.00 0.00 C ATOM 1245 NE ARG A 85 14.205 10.243 0.659 1.00 0.00 N ATOM 1246 CZ ARG A 85 15.532 10.104 0.780 1.00 0.00 C ATOM 1247 NH1 ARG A 85 16.065 8.888 0.968 1.00 0.00 N ATOM 1248 NH2 ARG A 85 16.328 11.181 0.712 1.00 0.00 N ATOM 0 H ARG A 85 9.761 7.303 0.890 1.00 0.00 H new ATOM 0 HA ARG A 85 9.307 10.076 0.952 1.00 0.00 H new ATOM 0 HB2 ARG A 85 11.157 8.211 -0.522 1.00 0.00 H new ATOM 0 HB3 ARG A 85 11.044 9.873 -1.066 1.00 0.00 H new ATOM 0 HG2 ARG A 85 11.851 10.744 0.991 1.00 0.00 H new ATOM 0 HG3 ARG A 85 11.437 9.294 1.884 1.00 0.00 H new ATOM 0 HD2 ARG A 85 13.514 8.443 1.531 1.00 0.00 H new ATOM 0 HD3 ARG A 85 13.289 8.542 -0.205 1.00 0.00 H new ATOM 0 HE ARG A 85 13.833 11.182 0.517 1.00 0.00 H new ATOM 0 HH11 ARG A 85 15.460 8.068 1.019 1.00 0.00 H new ATOM 0 HH12 ARG A 85 17.075 8.783 1.060 1.00 0.00 H new ATOM 0 HH21 ARG A 85 15.923 12.106 0.568 1.00 0.00 H new ATOM 0 HH22 ARG A 85 17.338 11.075 0.804 1.00 0.00 H new ATOM 1262 N THR A 86 7.259 9.644 -0.729 1.00 0.00 N ATOM 1263 CA THR A 86 6.301 9.884 -1.796 1.00 0.00 C ATOM 1264 C THR A 86 6.229 11.377 -2.123 1.00 0.00 C ATOM 1265 O THR A 86 6.375 11.770 -3.279 1.00 0.00 O ATOM 1266 CB THR A 86 4.957 9.290 -1.365 1.00 0.00 C ATOM 1267 OG1 THR A 86 4.800 8.146 -2.201 1.00 0.00 O ATOM 1268 CG2 THR A 86 3.775 10.188 -1.738 1.00 0.00 C ATOM 0 H THR A 86 6.852 9.587 0.205 1.00 0.00 H new ATOM 0 HA THR A 86 6.608 9.396 -2.721 1.00 0.00 H new ATOM 0 HB THR A 86 4.962 9.123 -0.288 1.00 0.00 H new ATOM 0 HG1 THR A 86 4.699 8.433 -3.133 1.00 0.00 H new ATOM 0 HG21 THR A 86 2.846 9.721 -1.410 1.00 0.00 H new ATOM 0 HG22 THR A 86 3.886 11.157 -1.251 1.00 0.00 H new ATOM 0 HG23 THR A 86 3.750 10.326 -2.819 1.00 0.00 H new ATOM 1276 N SER A 87 6.004 12.167 -1.084 1.00 0.00 N ATOM 1277 CA SER A 87 5.912 13.608 -1.246 1.00 0.00 C ATOM 1278 C SER A 87 5.264 13.943 -2.592 1.00 0.00 C ATOM 1279 O SER A 87 5.859 14.635 -3.415 1.00 0.00 O ATOM 1280 CB SER A 87 7.290 14.265 -1.143 1.00 0.00 C ATOM 1281 OG SER A 87 7.617 14.611 0.200 1.00 0.00 O ATOM 0 H SER A 87 5.883 11.837 -0.127 1.00 0.00 H new ATOM 0 HA SER A 87 5.291 14.003 -0.442 1.00 0.00 H new ATOM 0 HB2 SER A 87 8.046 13.586 -1.537 1.00 0.00 H new ATOM 0 HB3 SER A 87 7.312 15.161 -1.764 1.00 0.00 H new ATOM 0 HG SER A 87 8.504 15.026 0.224 1.00 0.00 H new ATOM 1287 N SER A 88 4.054 13.433 -2.774 1.00 0.00 N ATOM 1288 CA SER A 88 3.319 13.671 -4.003 1.00 0.00 C ATOM 1289 C SER A 88 2.240 12.602 -4.183 1.00 0.00 C ATOM 1290 O SER A 88 1.048 12.899 -4.102 1.00 0.00 O ATOM 1291 CB SER A 88 4.259 13.682 -5.212 1.00 0.00 C ATOM 1292 OG SER A 88 4.545 15.006 -5.654 1.00 0.00 O ATOM 0 H SER A 88 3.565 12.856 -2.090 1.00 0.00 H new ATOM 0 HA SER A 88 2.845 14.650 -3.934 1.00 0.00 H new ATOM 0 HB2 SER A 88 5.190 13.178 -4.952 1.00 0.00 H new ATOM 0 HB3 SER A 88 3.807 13.117 -6.028 1.00 0.00 H new ATOM 0 HG SER A 88 5.164 15.434 -5.026 1.00 0.00 H new ATOM 1298 N VAL A 89 2.694 11.381 -4.420 1.00 0.00 N ATOM 1299 CA VAL A 89 1.780 10.266 -4.611 1.00 0.00 C ATOM 1300 C VAL A 89 2.441 8.980 -4.110 1.00 0.00 C ATOM 1301 O VAL A 89 3.662 8.839 -4.174 1.00 0.00 O ATOM 1302 CB VAL A 89 1.351 10.187 -6.078 1.00 0.00 C ATOM 1303 CG1 VAL A 89 0.974 11.569 -6.615 1.00 0.00 C ATOM 1304 CG2 VAL A 89 2.442 9.543 -6.935 1.00 0.00 C ATOM 0 H VAL A 89 3.683 11.138 -4.484 1.00 0.00 H new ATOM 0 HA VAL A 89 0.870 10.412 -4.028 1.00 0.00 H new ATOM 0 HB VAL A 89 0.465 9.554 -6.134 1.00 0.00 H new ATOM 0 HG11 VAL A 89 0.673 11.484 -7.659 1.00 0.00 H new ATOM 0 HG12 VAL A 89 0.147 11.973 -6.031 1.00 0.00 H new ATOM 0 HG13 VAL A 89 1.833 12.236 -6.538 1.00 0.00 H new ATOM 0 HG21 VAL A 89 2.111 9.499 -7.973 1.00 0.00 H new ATOM 0 HG22 VAL A 89 3.354 10.137 -6.870 1.00 0.00 H new ATOM 0 HG23 VAL A 89 2.640 8.534 -6.574 1.00 0.00 H new ATOM 1314 N VAL A 90 1.605 8.073 -3.625 1.00 0.00 N ATOM 1315 CA VAL A 90 2.093 6.803 -3.114 1.00 0.00 C ATOM 1316 C VAL A 90 1.479 5.661 -3.929 1.00 0.00 C ATOM 1317 O VAL A 90 0.322 5.301 -3.723 1.00 0.00 O ATOM 1318 CB VAL A 90 1.802 6.694 -1.617 1.00 0.00 C ATOM 1319 CG1 VAL A 90 3.090 6.801 -0.799 1.00 0.00 C ATOM 1320 CG2 VAL A 90 0.784 7.750 -1.179 1.00 0.00 C ATOM 0 H VAL A 90 0.593 8.192 -3.575 1.00 0.00 H new ATOM 0 HA VAL A 90 3.175 6.737 -3.225 1.00 0.00 H new ATOM 0 HB VAL A 90 1.368 5.712 -1.430 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.855 6.720 0.262 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.769 5.997 -1.082 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.566 7.762 -0.993 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.594 7.651 -0.110 1.00 0.00 H new ATOM 0 HG22 VAL A 90 1.179 8.744 -1.387 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.147 7.607 -1.728 1.00 0.00 H new ATOM 1330 N THR A 91 2.282 5.125 -4.836 1.00 0.00 N ATOM 1331 CA THR A 91 1.832 4.033 -5.681 1.00 0.00 C ATOM 1332 C THR A 91 2.387 2.701 -5.170 1.00 0.00 C ATOM 1333 O THR A 91 3.561 2.609 -4.813 1.00 0.00 O ATOM 1334 CB THR A 91 2.242 4.349 -7.120 1.00 0.00 C ATOM 1335 OG1 THR A 91 2.987 5.559 -7.011 1.00 0.00 O ATOM 1336 CG2 THR A 91 1.047 4.725 -8.000 1.00 0.00 C ATOM 0 H THR A 91 3.242 5.427 -5.004 1.00 0.00 H new ATOM 0 HA THR A 91 0.747 3.931 -5.652 1.00 0.00 H new ATOM 0 HB THR A 91 2.752 3.487 -7.550 1.00 0.00 H new ATOM 0 HG1 THR A 91 3.280 5.844 -7.902 1.00 0.00 H new ATOM 0 HG21 THR A 91 1.393 4.940 -9.011 1.00 0.00 H new ATOM 0 HG22 THR A 91 0.340 3.896 -8.027 1.00 0.00 H new ATOM 0 HG23 THR A 91 0.556 5.607 -7.589 1.00 0.00 H new ATOM 1344 N LEU A 92 1.516 1.702 -5.152 1.00 0.00 N ATOM 1345 CA LEU A 92 1.903 0.380 -4.690 1.00 0.00 C ATOM 1346 C LEU A 92 0.874 -0.644 -5.172 1.00 0.00 C ATOM 1347 O LEU A 92 -0.282 -0.301 -5.417 1.00 0.00 O ATOM 1348 CB LEU A 92 2.109 0.381 -3.175 1.00 0.00 C ATOM 1349 CG LEU A 92 1.777 1.688 -2.453 1.00 0.00 C ATOM 1350 CD1 LEU A 92 1.135 1.415 -1.091 1.00 0.00 C ATOM 1351 CD2 LEU A 92 3.015 2.579 -2.335 1.00 0.00 C ATOM 0 H LEU A 92 0.544 1.782 -5.450 1.00 0.00 H new ATOM 0 HA LEU A 92 2.864 0.092 -5.117 1.00 0.00 H new ATOM 0 HB2 LEU A 92 1.499 -0.413 -2.745 1.00 0.00 H new ATOM 0 HB3 LEU A 92 3.150 0.130 -2.970 1.00 0.00 H new ATOM 0 HG LEU A 92 1.045 2.231 -3.050 1.00 0.00 H new ATOM 0 HD11 LEU A 92 0.909 2.361 -0.599 1.00 0.00 H new ATOM 0 HD12 LEU A 92 0.214 0.849 -1.230 1.00 0.00 H new ATOM 0 HD13 LEU A 92 1.824 0.840 -0.473 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.751 3.502 -1.818 1.00 0.00 H new ATOM 0 HD22 LEU A 92 3.788 2.056 -1.772 1.00 0.00 H new ATOM 0 HD23 LEU A 92 3.389 2.816 -3.331 1.00 0.00 H new ATOM 1363 N GLU A 93 1.331 -1.882 -5.295 1.00 0.00 N ATOM 1364 CA GLU A 93 0.463 -2.959 -5.742 1.00 0.00 C ATOM 1365 C GLU A 93 -0.112 -3.710 -4.540 1.00 0.00 C ATOM 1366 O GLU A 93 0.608 -4.426 -3.847 1.00 0.00 O ATOM 1367 CB GLU A 93 1.212 -3.912 -6.677 1.00 0.00 C ATOM 1368 CG GLU A 93 0.237 -4.829 -7.419 1.00 0.00 C ATOM 1369 CD GLU A 93 0.895 -5.440 -8.658 1.00 0.00 C ATOM 1370 OE1 GLU A 93 1.400 -4.649 -9.483 1.00 0.00 O ATOM 1371 OE2 GLU A 93 0.880 -6.687 -8.750 1.00 0.00 O ATOM 0 H GLU A 93 2.290 -2.163 -5.093 1.00 0.00 H new ATOM 0 HA GLU A 93 -0.364 -2.525 -6.304 1.00 0.00 H new ATOM 0 HB2 GLU A 93 1.796 -3.338 -7.396 1.00 0.00 H new ATOM 0 HB3 GLU A 93 1.916 -4.513 -6.102 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -0.100 -5.623 -6.753 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -0.647 -4.264 -7.714 1.00 0.00 H new ATOM 1378 N VAL A 94 -1.407 -3.520 -4.331 1.00 0.00 N ATOM 1379 CA VAL A 94 -2.089 -4.171 -3.226 1.00 0.00 C ATOM 1380 C VAL A 94 -3.217 -5.049 -3.773 1.00 0.00 C ATOM 1381 O VAL A 94 -3.541 -4.981 -4.957 1.00 0.00 O ATOM 1382 CB VAL A 94 -2.579 -3.124 -2.223 1.00 0.00 C ATOM 1383 CG1 VAL A 94 -1.424 -2.250 -1.736 1.00 0.00 C ATOM 1384 CG2 VAL A 94 -3.697 -2.271 -2.826 1.00 0.00 C ATOM 0 H VAL A 94 -2.001 -2.925 -4.908 1.00 0.00 H new ATOM 0 HA VAL A 94 -1.403 -4.823 -2.686 1.00 0.00 H new ATOM 0 HB VAL A 94 -2.987 -3.650 -1.360 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -1.799 -1.514 -1.024 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -0.674 -2.875 -1.251 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -0.973 -1.736 -2.585 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -4.028 -1.535 -2.094 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -3.325 -1.759 -3.713 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -4.535 -2.911 -3.101 1.00 0.00 H new ATOM 1394 N ALA A 95 -3.782 -5.853 -2.885 1.00 0.00 N ATOM 1395 CA ALA A 95 -4.866 -6.743 -3.263 1.00 0.00 C ATOM 1396 C ALA A 95 -5.937 -6.730 -2.170 1.00 0.00 C ATOM 1397 O ALA A 95 -5.687 -7.164 -1.048 1.00 0.00 O ATOM 1398 CB ALA A 95 -4.312 -8.144 -3.519 1.00 0.00 C ATOM 0 H ALA A 95 -3.509 -5.907 -1.904 1.00 0.00 H new ATOM 0 HA ALA A 95 -5.334 -6.404 -4.187 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -5.126 -8.811 -3.803 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -3.579 -8.104 -4.324 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -3.835 -8.518 -2.613 1.00 0.00 H new