USER MOD reduce.3.24.130724 H: found=0, std=0, add=250, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 253 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 84 GLN :FLIP amide:sc= -0.279 F(o=-1.1!,f=-0.28) USER MOD Single : A 90 LYS NZ :NH3+ 158:sc= -0.0554 (180deg=-0.721) USER MOD Single : A 91 MET CE :methyl -137:sc= 0 (180deg=-0.039) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 SER OG : rot 77:sc= 0.601 USER MOD Single : A 119 ASN : amide:sc= -0.0451 K(o=-0.045,f=-1.8!) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 CYS SG : rot 43:sc= 0.214 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 129 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 184 N GLU A 82 15.186 -13.135 -6.013 1.00 0.00 N ATOM 185 CA GLU A 82 15.902 -11.910 -5.691 1.00 0.00 C ATOM 186 C GLU A 82 14.912 -10.782 -5.411 1.00 0.00 C ATOM 187 O GLU A 82 15.071 -10.029 -4.449 1.00 0.00 O ATOM 188 CB GLU A 82 16.806 -11.517 -6.864 1.00 0.00 C ATOM 189 CG GLU A 82 17.687 -10.325 -6.472 1.00 0.00 C ATOM 190 CD GLU A 82 16.888 -9.024 -6.544 1.00 0.00 C ATOM 191 OE1 GLU A 82 15.955 -8.964 -7.327 1.00 0.00 O ATOM 192 OE2 GLU A 82 17.222 -8.109 -5.811 1.00 0.00 O ATOM 0 HA GLU A 82 16.511 -12.080 -4.803 1.00 0.00 H new ATOM 0 HB2 GLU A 82 17.431 -12.363 -7.151 1.00 0.00 H new ATOM 0 HB3 GLU A 82 16.198 -11.261 -7.732 1.00 0.00 H new ATOM 0 HG2 GLU A 82 18.073 -10.467 -5.462 1.00 0.00 H new ATOM 0 HG3 GLU A 82 18.548 -10.267 -7.137 1.00 0.00 H new ATOM 199 N GLU A 83 13.883 -10.680 -6.247 1.00 0.00 N ATOM 200 CA GLU A 83 12.869 -9.648 -6.070 1.00 0.00 C ATOM 201 C GLU A 83 12.101 -9.872 -4.769 1.00 0.00 C ATOM 202 O GLU A 83 11.819 -8.927 -4.033 1.00 0.00 O ATOM 203 CB GLU A 83 11.899 -9.655 -7.256 1.00 0.00 C ATOM 204 CG GLU A 83 10.874 -8.532 -7.086 1.00 0.00 C ATOM 205 CD GLU A 83 9.978 -8.454 -8.316 1.00 0.00 C ATOM 206 OE1 GLU A 83 10.188 -9.237 -9.228 1.00 0.00 O ATOM 207 OE2 GLU A 83 9.095 -7.612 -8.330 1.00 0.00 O ATOM 0 H GLU A 83 13.730 -11.294 -7.047 1.00 0.00 H new ATOM 0 HA GLU A 83 13.366 -8.679 -6.021 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.448 -9.522 -8.189 1.00 0.00 H new ATOM 0 HB3 GLU A 83 11.392 -10.618 -7.319 1.00 0.00 H new ATOM 0 HG2 GLU A 83 10.270 -8.711 -6.197 1.00 0.00 H new ATOM 0 HG3 GLU A 83 11.385 -7.581 -6.938 1.00 0.00 H new ATOM 214 N GLN A 84 11.763 -11.127 -4.492 1.00 0.00 N ATOM 215 CA GLN A 84 11.032 -11.463 -3.290 1.00 0.00 C ATOM 216 C GLN A 84 11.850 -11.127 -2.048 1.00 0.00 C ATOM 217 O GLN A 84 11.313 -10.637 -1.055 1.00 0.00 O ATOM 218 CB GLN A 84 10.702 -12.953 -3.300 1.00 0.00 C ATOM 219 CG GLN A 84 9.764 -13.255 -2.143 1.00 0.00 C ATOM 220 CD GLN A 84 9.405 -14.735 -2.128 1.00 0.00 C ATOM 221 OE1 GLN A 84 9.841 -15.513 -3.079 1.00 0.00 O flip ATOM 222 NE2 GLN A 84 8.701 -15.195 -1.229 1.00 0.00 N flip ATOM 0 H GLN A 84 11.987 -11.924 -5.088 1.00 0.00 H new ATOM 0 HA GLN A 84 10.112 -10.879 -3.264 1.00 0.00 H new ATOM 0 HB2 GLN A 84 10.236 -13.230 -4.246 1.00 0.00 H new ATOM 0 HB3 GLN A 84 11.615 -13.542 -3.210 1.00 0.00 H new ATOM 0 HG2 GLN A 84 10.237 -12.979 -1.201 1.00 0.00 H new ATOM 0 HG3 GLN A 84 8.859 -12.655 -2.233 1.00 0.00 H new ATOM 0 HE21 GLN A 84 8.360 -14.585 -0.485 1.00 0.00 H new ATOM 0 HE22 GLN A 84 8.458 -16.186 -1.228 1.00 0.00 H new ATOM 231 N PHE A 85 13.149 -11.396 -2.107 1.00 0.00 N ATOM 232 CA PHE A 85 14.023 -11.123 -0.974 1.00 0.00 C ATOM 233 C PHE A 85 14.018 -9.633 -0.651 1.00 0.00 C ATOM 234 O PHE A 85 13.853 -9.237 0.504 1.00 0.00 O ATOM 235 CB PHE A 85 15.448 -11.571 -1.300 1.00 0.00 C ATOM 236 CG PHE A 85 16.358 -11.241 -0.141 1.00 0.00 C ATOM 237 CD1 PHE A 85 16.358 -12.055 0.997 1.00 0.00 C ATOM 238 CD2 PHE A 85 17.201 -10.123 -0.203 1.00 0.00 C ATOM 239 CE1 PHE A 85 17.202 -11.755 2.072 1.00 0.00 C ATOM 240 CE2 PHE A 85 18.044 -9.823 0.873 1.00 0.00 C ATOM 241 CZ PHE A 85 18.044 -10.637 2.011 1.00 0.00 C ATOM 0 H PHE A 85 13.616 -11.799 -2.919 1.00 0.00 H new ATOM 0 HA PHE A 85 13.658 -11.675 -0.108 1.00 0.00 H new ATOM 0 HB2 PHE A 85 15.467 -12.643 -1.497 1.00 0.00 H new ATOM 0 HB3 PHE A 85 15.799 -11.074 -2.204 1.00 0.00 H new ATOM 0 HD1 PHE A 85 15.706 -12.915 1.046 1.00 0.00 H new ATOM 0 HD2 PHE A 85 17.200 -9.493 -1.081 1.00 0.00 H new ATOM 0 HE1 PHE A 85 17.204 -12.385 2.949 1.00 0.00 H new ATOM 0 HE2 PHE A 85 18.695 -8.963 0.825 1.00 0.00 H new ATOM 0 HZ PHE A 85 18.693 -10.404 2.842 1.00 0.00 H new ATOM 251 N ALA A 86 14.198 -8.810 -1.677 1.00 0.00 N ATOM 252 CA ALA A 86 14.204 -7.365 -1.487 1.00 0.00 C ATOM 253 C ALA A 86 12.852 -6.885 -0.965 1.00 0.00 C ATOM 254 O ALA A 86 12.783 -6.004 -0.108 1.00 0.00 O ATOM 255 CB ALA A 86 14.516 -6.664 -2.807 1.00 0.00 C ATOM 0 H ALA A 86 14.340 -9.114 -2.640 1.00 0.00 H new ATOM 0 HA ALA A 86 14.973 -7.120 -0.754 1.00 0.00 H new ATOM 0 HB1 ALA A 86 14.518 -5.585 -2.654 1.00 0.00 H new ATOM 0 HB2 ALA A 86 15.495 -6.982 -3.165 1.00 0.00 H new ATOM 0 HB3 ALA A 86 13.758 -6.924 -3.545 1.00 0.00 H new ATOM 261 N LEU A 87 11.778 -7.462 -1.494 1.00 0.00 N ATOM 262 CA LEU A 87 10.434 -7.078 -1.082 1.00 0.00 C ATOM 263 C LEU A 87 10.207 -7.444 0.386 1.00 0.00 C ATOM 264 O LEU A 87 9.567 -6.704 1.133 1.00 0.00 O ATOM 265 CB LEU A 87 9.392 -7.782 -1.976 1.00 0.00 C ATOM 266 CG LEU A 87 8.153 -6.887 -2.173 1.00 0.00 C ATOM 267 CD1 LEU A 87 7.589 -6.467 -0.806 1.00 0.00 C ATOM 268 CD2 LEU A 87 8.523 -5.628 -3.000 1.00 0.00 C ATOM 0 H LEU A 87 11.812 -8.193 -2.205 1.00 0.00 H new ATOM 0 HA LEU A 87 10.323 -5.999 -1.192 1.00 0.00 H new ATOM 0 HB2 LEU A 87 9.835 -8.017 -2.944 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.096 -8.728 -1.523 1.00 0.00 H new ATOM 0 HG LEU A 87 7.395 -7.452 -2.716 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.713 -5.835 -0.952 1.00 0.00 H new ATOM 0 HD12 LEU A 87 7.305 -7.355 -0.241 1.00 0.00 H new ATOM 0 HD13 LEU A 87 8.348 -5.913 -0.254 1.00 0.00 H new ATOM 0 HD21 LEU A 87 7.638 -5.006 -3.131 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.291 -5.060 -2.475 1.00 0.00 H new ATOM 0 HD23 LEU A 87 8.900 -5.932 -3.976 1.00 0.00 H new ATOM 280 N ALA A 88 10.738 -8.594 0.788 1.00 0.00 N ATOM 281 CA ALA A 88 10.588 -9.049 2.162 1.00 0.00 C ATOM 282 C ALA A 88 11.207 -8.038 3.119 1.00 0.00 C ATOM 283 O ALA A 88 10.640 -7.732 4.167 1.00 0.00 O ATOM 284 CB ALA A 88 11.275 -10.406 2.339 1.00 0.00 C ATOM 0 H ALA A 88 11.271 -9.222 0.187 1.00 0.00 H new ATOM 0 HA ALA A 88 9.526 -9.149 2.384 1.00 0.00 H new ATOM 0 HB1 ALA A 88 11.159 -10.741 3.370 1.00 0.00 H new ATOM 0 HB2 ALA A 88 10.820 -11.134 1.667 1.00 0.00 H new ATOM 0 HB3 ALA A 88 12.335 -10.310 2.106 1.00 0.00 H new ATOM 290 N LEU A 89 12.370 -7.518 2.745 1.00 0.00 N ATOM 291 CA LEU A 89 13.053 -6.534 3.576 1.00 0.00 C ATOM 292 C LEU A 89 12.225 -5.256 3.678 1.00 0.00 C ATOM 293 O LEU A 89 12.122 -4.654 4.748 1.00 0.00 O ATOM 294 CB LEU A 89 14.421 -6.210 2.971 1.00 0.00 C ATOM 295 CG LEU A 89 15.339 -7.437 3.070 1.00 0.00 C ATOM 296 CD1 LEU A 89 16.624 -7.163 2.285 1.00 0.00 C ATOM 297 CD2 LEU A 89 15.682 -7.734 4.546 1.00 0.00 C ATOM 0 H LEU A 89 12.856 -7.758 1.881 1.00 0.00 H new ATOM 0 HA LEU A 89 13.183 -6.950 4.575 1.00 0.00 H new ATOM 0 HB2 LEU A 89 14.306 -5.914 1.928 1.00 0.00 H new ATOM 0 HB3 LEU A 89 14.870 -5.366 3.495 1.00 0.00 H new ATOM 0 HG LEU A 89 14.827 -8.304 2.652 1.00 0.00 H new ATOM 0 HD11 LEU A 89 17.282 -8.030 2.350 1.00 0.00 H new ATOM 0 HD12 LEU A 89 16.378 -6.971 1.240 1.00 0.00 H new ATOM 0 HD13 LEU A 89 17.128 -6.292 2.705 1.00 0.00 H new ATOM 0 HD21 LEU A 89 16.333 -8.606 4.600 1.00 0.00 H new ATOM 0 HD22 LEU A 89 16.191 -6.874 4.981 1.00 0.00 H new ATOM 0 HD23 LEU A 89 14.764 -7.932 5.100 1.00 0.00 H new ATOM 309 N LYS A 90 11.633 -4.849 2.559 1.00 0.00 N ATOM 310 CA LYS A 90 10.812 -3.641 2.530 1.00 0.00 C ATOM 311 C LYS A 90 9.581 -3.797 3.421 1.00 0.00 C ATOM 312 O LYS A 90 9.196 -2.869 4.131 1.00 0.00 O ATOM 313 CB LYS A 90 10.369 -3.352 1.090 1.00 0.00 C ATOM 314 CG LYS A 90 11.572 -2.902 0.240 1.00 0.00 C ATOM 315 CD LYS A 90 11.810 -1.394 0.402 1.00 0.00 C ATOM 316 CE LYS A 90 13.008 -0.979 -0.452 1.00 0.00 C ATOM 317 NZ LYS A 90 12.724 -1.279 -1.885 1.00 0.00 N ATOM 0 H LYS A 90 11.705 -5.334 1.665 1.00 0.00 H new ATOM 0 HA LYS A 90 11.409 -2.810 2.906 1.00 0.00 H new ATOM 0 HB2 LYS A 90 9.921 -4.245 0.654 1.00 0.00 H new ATOM 0 HB3 LYS A 90 9.603 -2.577 1.087 1.00 0.00 H new ATOM 0 HG2 LYS A 90 12.464 -3.451 0.541 1.00 0.00 H new ATOM 0 HG3 LYS A 90 11.392 -3.137 -0.809 1.00 0.00 H new ATOM 0 HD2 LYS A 90 10.922 -0.839 0.098 1.00 0.00 H new ATOM 0 HD3 LYS A 90 11.994 -1.153 1.449 1.00 0.00 H new ATOM 0 HE2 LYS A 90 13.208 0.085 -0.325 1.00 0.00 H new ATOM 0 HE3 LYS A 90 13.902 -1.512 -0.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 13.329 -0.688 -2.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 12.920 -2.283 -2.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 11.725 -1.076 -2.091 1.00 0.00 H new ATOM 331 N MET A 91 8.973 -4.978 3.382 1.00 0.00 N ATOM 332 CA MET A 91 7.789 -5.243 4.193 1.00 0.00 C ATOM 333 C MET A 91 8.144 -5.174 5.676 1.00 0.00 C ATOM 334 O MET A 91 7.379 -4.647 6.485 1.00 0.00 O ATOM 335 CB MET A 91 7.224 -6.630 3.863 1.00 0.00 C ATOM 336 CG MET A 91 5.890 -6.837 4.595 1.00 0.00 C ATOM 337 SD MET A 91 4.642 -5.696 3.945 1.00 0.00 S ATOM 338 CE MET A 91 4.147 -6.676 2.503 1.00 0.00 C ATOM 0 H MET A 91 9.277 -5.761 2.803 1.00 0.00 H new ATOM 0 HA MET A 91 7.036 -4.487 3.969 1.00 0.00 H new ATOM 0 HB2 MET A 91 7.078 -6.726 2.787 1.00 0.00 H new ATOM 0 HB3 MET A 91 7.935 -7.402 4.158 1.00 0.00 H new ATOM 0 HG2 MET A 91 5.553 -7.866 4.470 1.00 0.00 H new ATOM 0 HG3 MET A 91 6.023 -6.672 5.664 1.00 0.00 H new ATOM 0 HE1 MET A 91 4.044 -6.022 1.637 1.00 0.00 H new ATOM 0 HE2 MET A 91 4.905 -7.432 2.299 1.00 0.00 H new ATOM 0 HE3 MET A 91 3.193 -7.164 2.705 1.00 0.00 H new ATOM 348 N SER A 92 9.305 -5.714 6.025 1.00 0.00 N ATOM 349 CA SER A 92 9.750 -5.711 7.412 1.00 0.00 C ATOM 350 C SER A 92 9.907 -4.283 7.920 1.00 0.00 C ATOM 351 O SER A 92 9.524 -3.970 9.048 1.00 0.00 O ATOM 352 CB SER A 92 11.082 -6.451 7.534 1.00 0.00 C ATOM 353 OG SER A 92 11.502 -6.439 8.892 1.00 0.00 O ATOM 0 H SER A 92 9.951 -6.157 5.372 1.00 0.00 H new ATOM 0 HA SER A 92 8.999 -6.218 8.018 1.00 0.00 H new ATOM 0 HB2 SER A 92 10.975 -7.477 7.183 1.00 0.00 H new ATOM 0 HB3 SER A 92 11.834 -5.976 6.904 1.00 0.00 H new ATOM 0 HG SER A 92 12.355 -6.914 8.975 1.00 0.00 H new ATOM 359 N GLU A 93 10.470 -3.417 7.085 1.00 0.00 N ATOM 360 CA GLU A 93 10.666 -2.022 7.469 1.00 0.00 C ATOM 361 C GLU A 93 9.324 -1.342 7.719 1.00 0.00 C ATOM 362 O GLU A 93 9.182 -0.551 8.650 1.00 0.00 O ATOM 363 CB GLU A 93 11.418 -1.281 6.363 1.00 0.00 C ATOM 364 CG GLU A 93 12.853 -1.802 6.280 1.00 0.00 C ATOM 365 CD GLU A 93 13.638 -1.363 7.512 1.00 0.00 C ATOM 366 OE1 GLU A 93 13.187 -0.451 8.184 1.00 0.00 O ATOM 367 OE2 GLU A 93 14.680 -1.946 7.764 1.00 0.00 O ATOM 0 H GLU A 93 10.796 -3.651 6.147 1.00 0.00 H new ATOM 0 HA GLU A 93 11.250 -1.994 8.389 1.00 0.00 H new ATOM 0 HB2 GLU A 93 10.913 -1.423 5.408 1.00 0.00 H new ATOM 0 HB3 GLU A 93 11.420 -0.210 6.566 1.00 0.00 H new ATOM 0 HG2 GLU A 93 12.850 -2.890 6.208 1.00 0.00 H new ATOM 0 HG3 GLU A 93 13.334 -1.424 5.378 1.00 0.00 H new ATOM 573 N GLU A 107 3.214 -17.303 2.380 1.00 0.00 N ATOM 574 CA GLU A 107 1.801 -17.410 2.044 1.00 0.00 C ATOM 575 C GLU A 107 1.554 -16.982 0.599 1.00 0.00 C ATOM 576 O GLU A 107 0.775 -17.612 -0.117 1.00 0.00 O ATOM 577 CB GLU A 107 0.974 -16.532 2.987 1.00 0.00 C ATOM 578 CG GLU A 107 -0.517 -16.706 2.682 1.00 0.00 C ATOM 579 CD GLU A 107 -1.347 -15.884 3.661 1.00 0.00 C ATOM 580 OE1 GLU A 107 -0.755 -15.222 4.498 1.00 0.00 O ATOM 581 OE2 GLU A 107 -2.561 -15.927 3.558 1.00 0.00 O ATOM 0 HA GLU A 107 1.500 -18.452 2.156 1.00 0.00 H new ATOM 0 HB2 GLU A 107 1.177 -16.803 4.023 1.00 0.00 H new ATOM 0 HB3 GLU A 107 1.259 -15.487 2.869 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -0.727 -16.391 1.660 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -0.791 -17.758 2.754 1.00 0.00 H new ATOM 588 N GLU A 108 2.213 -15.908 0.178 1.00 0.00 N ATOM 589 CA GLU A 108 2.042 -15.403 -1.184 1.00 0.00 C ATOM 590 C GLU A 108 2.513 -16.431 -2.205 1.00 0.00 C ATOM 591 O GLU A 108 1.856 -16.655 -3.221 1.00 0.00 O ATOM 592 CB GLU A 108 2.845 -14.115 -1.362 1.00 0.00 C ATOM 593 CG GLU A 108 2.229 -13.005 -0.511 1.00 0.00 C ATOM 594 CD GLU A 108 0.876 -12.599 -1.086 1.00 0.00 C ATOM 595 OE1 GLU A 108 0.620 -12.929 -2.233 1.00 0.00 O ATOM 596 OE2 GLU A 108 0.116 -11.965 -0.373 1.00 0.00 O ATOM 0 H GLU A 108 2.865 -15.373 0.752 1.00 0.00 H new ATOM 0 HA GLU A 108 0.982 -15.206 -1.345 1.00 0.00 H new ATOM 0 HB2 GLU A 108 3.882 -14.278 -1.070 1.00 0.00 H new ATOM 0 HB3 GLU A 108 2.852 -13.821 -2.412 1.00 0.00 H new ATOM 0 HG2 GLU A 108 2.109 -13.347 0.517 1.00 0.00 H new ATOM 0 HG3 GLU A 108 2.896 -12.143 -0.484 1.00 0.00 H new ATOM 603 N LEU A 109 3.645 -17.064 -1.924 1.00 0.00 N ATOM 604 CA LEU A 109 4.186 -18.079 -2.822 1.00 0.00 C ATOM 605 C LEU A 109 3.293 -19.314 -2.824 1.00 0.00 C ATOM 606 O LEU A 109 3.097 -19.946 -3.863 1.00 0.00 O ATOM 607 CB LEU A 109 5.618 -18.449 -2.391 1.00 0.00 C ATOM 608 CG LEU A 109 6.641 -17.542 -3.104 1.00 0.00 C ATOM 609 CD1 LEU A 109 6.714 -17.884 -4.611 1.00 0.00 C ATOM 610 CD2 LEU A 109 6.240 -16.064 -2.927 1.00 0.00 C ATOM 0 H LEU A 109 4.204 -16.895 -1.088 1.00 0.00 H new ATOM 0 HA LEU A 109 4.217 -17.677 -3.835 1.00 0.00 H new ATOM 0 HB2 LEU A 109 5.719 -18.344 -1.311 1.00 0.00 H new ATOM 0 HB3 LEU A 109 5.819 -19.493 -2.630 1.00 0.00 H new ATOM 0 HG LEU A 109 7.622 -17.709 -2.660 1.00 0.00 H new ATOM 0 HD11 LEU A 109 7.441 -17.233 -5.097 1.00 0.00 H new ATOM 0 HD12 LEU A 109 7.018 -18.924 -4.734 1.00 0.00 H new ATOM 0 HD13 LEU A 109 5.734 -17.736 -5.065 1.00 0.00 H new ATOM 0 HD21 LEU A 109 6.966 -15.427 -3.432 1.00 0.00 H new ATOM 0 HD22 LEU A 109 5.252 -15.901 -3.358 1.00 0.00 H new ATOM 0 HD23 LEU A 109 6.218 -15.818 -1.865 1.00 0.00 H new ATOM 622 N LEU A 110 2.753 -19.652 -1.662 1.00 0.00 N ATOM 623 CA LEU A 110 1.888 -20.816 -1.557 1.00 0.00 C ATOM 624 C LEU A 110 0.659 -20.635 -2.441 1.00 0.00 C ATOM 625 O LEU A 110 0.259 -21.549 -3.161 1.00 0.00 O ATOM 626 CB LEU A 110 1.457 -21.012 -0.098 1.00 0.00 C ATOM 627 CG LEU A 110 0.532 -22.232 0.030 1.00 0.00 C ATOM 628 CD1 LEU A 110 1.265 -23.503 -0.431 1.00 0.00 C ATOM 629 CD2 LEU A 110 0.116 -22.379 1.496 1.00 0.00 C ATOM 0 H LEU A 110 2.896 -19.144 -0.789 1.00 0.00 H new ATOM 0 HA LEU A 110 2.436 -21.697 -1.890 1.00 0.00 H new ATOM 0 HB2 LEU A 110 2.336 -21.147 0.532 1.00 0.00 H new ATOM 0 HB3 LEU A 110 0.943 -20.119 0.259 1.00 0.00 H new ATOM 0 HG LEU A 110 -0.349 -22.092 -0.597 1.00 0.00 H new ATOM 0 HD11 LEU A 110 0.600 -24.361 -0.336 1.00 0.00 H new ATOM 0 HD12 LEU A 110 1.567 -23.391 -1.472 1.00 0.00 H new ATOM 0 HD13 LEU A 110 2.149 -23.658 0.188 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -0.542 -23.242 1.603 1.00 0.00 H new ATOM 0 HD22 LEU A 110 1.003 -22.520 2.114 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -0.410 -21.480 1.817 1.00 0.00 H new ATOM 641 N ARG A 111 0.063 -19.449 -2.383 1.00 0.00 N ATOM 642 CA ARG A 111 -1.119 -19.168 -3.187 1.00 0.00 C ATOM 643 C ARG A 111 -0.796 -19.273 -4.675 1.00 0.00 C ATOM 644 O ARG A 111 -1.563 -19.848 -5.446 1.00 0.00 O ATOM 645 CB ARG A 111 -1.648 -17.768 -2.870 1.00 0.00 C ATOM 646 CG ARG A 111 -2.932 -17.513 -3.661 1.00 0.00 C ATOM 647 CD ARG A 111 -3.491 -16.141 -3.294 1.00 0.00 C ATOM 648 NE ARG A 111 -3.869 -16.119 -1.886 1.00 0.00 N ATOM 649 CZ ARG A 111 -5.027 -16.626 -1.479 1.00 0.00 C ATOM 650 NH1 ARG A 111 -5.844 -17.161 -2.344 1.00 0.00 N ATOM 651 NH2 ARG A 111 -5.346 -16.594 -0.214 1.00 0.00 N ATOM 0 H ARG A 111 0.375 -18.676 -1.795 1.00 0.00 H new ATOM 0 HA ARG A 111 -1.883 -19.906 -2.943 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -1.843 -17.675 -1.802 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -0.898 -17.019 -3.124 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -2.728 -17.560 -4.731 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -3.667 -18.288 -3.442 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -2.746 -15.370 -3.491 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -4.357 -15.913 -3.916 1.00 0.00 H new ATOM 0 HE ARG A 111 -3.234 -15.707 -1.202 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -5.593 -17.190 -3.332 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -6.734 -17.551 -2.032 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -4.706 -16.179 0.463 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -6.236 -16.984 0.098 1.00 0.00 H new ATOM 665 N LYS A 112 0.340 -18.712 -5.076 1.00 0.00 N ATOM 666 CA LYS A 112 0.740 -18.753 -6.477 1.00 0.00 C ATOM 667 C LYS A 112 0.952 -20.190 -6.935 1.00 0.00 C ATOM 668 O LYS A 112 0.563 -20.563 -8.040 1.00 0.00 O ATOM 669 CB LYS A 112 2.034 -17.962 -6.674 1.00 0.00 C ATOM 670 CG LYS A 112 1.756 -16.471 -6.481 1.00 0.00 C ATOM 671 CD LYS A 112 3.054 -15.684 -6.664 1.00 0.00 C ATOM 672 CE LYS A 112 2.779 -14.192 -6.477 1.00 0.00 C ATOM 673 NZ LYS A 112 4.048 -13.428 -6.647 1.00 0.00 N ATOM 0 H LYS A 112 0.993 -18.229 -4.459 1.00 0.00 H new ATOM 0 HA LYS A 112 -0.056 -18.307 -7.073 1.00 0.00 H new ATOM 0 HB2 LYS A 112 2.789 -18.297 -5.963 1.00 0.00 H new ATOM 0 HB3 LYS A 112 2.434 -18.142 -7.672 1.00 0.00 H new ATOM 0 HG2 LYS A 112 1.009 -16.133 -7.199 1.00 0.00 H new ATOM 0 HG3 LYS A 112 1.346 -16.292 -5.487 1.00 0.00 H new ATOM 0 HD2 LYS A 112 3.800 -16.020 -5.943 1.00 0.00 H new ATOM 0 HD3 LYS A 112 3.465 -15.867 -7.657 1.00 0.00 H new ATOM 0 HE2 LYS A 112 2.039 -13.854 -7.202 1.00 0.00 H new ATOM 0 HE3 LYS A 112 2.362 -14.009 -5.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 3.862 -12.413 -6.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 4.741 -13.744 -5.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 4.428 -13.593 -7.601 1.00 0.00 H new ATOM 687 N ALA A 113 1.566 -20.996 -6.076 1.00 0.00 N ATOM 688 CA ALA A 113 1.822 -22.392 -6.411 1.00 0.00 C ATOM 689 C ALA A 113 0.513 -23.137 -6.644 1.00 0.00 C ATOM 690 O ALA A 113 0.408 -23.959 -7.554 1.00 0.00 O ATOM 691 CB ALA A 113 2.598 -23.064 -5.280 1.00 0.00 C ATOM 0 H ALA A 113 1.893 -20.711 -5.153 1.00 0.00 H new ATOM 0 HA ALA A 113 2.412 -22.424 -7.327 1.00 0.00 H new ATOM 0 HB1 ALA A 113 2.786 -24.107 -5.537 1.00 0.00 H new ATOM 0 HB2 ALA A 113 3.548 -22.549 -5.135 1.00 0.00 H new ATOM 0 HB3 ALA A 113 2.015 -23.016 -4.360 1.00 0.00 H new ATOM 697 N ILE A 114 -0.484 -22.842 -5.818 1.00 0.00 N ATOM 698 CA ILE A 114 -1.784 -23.490 -5.943 1.00 0.00 C ATOM 699 C ILE A 114 -2.418 -23.145 -7.290 1.00 0.00 C ATOM 700 O ILE A 114 -2.962 -24.015 -7.970 1.00 0.00 O ATOM 701 CB ILE A 114 -2.706 -23.027 -4.801 1.00 0.00 C ATOM 702 CG1 ILE A 114 -2.199 -23.573 -3.444 1.00 0.00 C ATOM 703 CG2 ILE A 114 -4.139 -23.516 -5.061 1.00 0.00 C ATOM 704 CD1 ILE A 114 -2.636 -25.033 -3.216 1.00 0.00 C ATOM 0 H ILE A 114 -0.418 -22.163 -5.060 1.00 0.00 H new ATOM 0 HA ILE A 114 -1.648 -24.570 -5.883 1.00 0.00 H new ATOM 0 HB ILE A 114 -2.699 -21.938 -4.762 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -1.111 -23.510 -3.410 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -2.580 -22.949 -2.636 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -4.789 -23.186 -4.250 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -4.498 -23.105 -6.004 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -4.148 -24.605 -5.113 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -2.260 -25.379 -2.253 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -3.724 -25.092 -3.224 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -2.233 -25.662 -4.010 1.00 0.00 H new ATOM 716 N ALA A 115 -2.350 -21.873 -7.671 1.00 0.00 N ATOM 717 CA ALA A 115 -2.931 -21.440 -8.939 1.00 0.00 C ATOM 718 C ALA A 115 -2.263 -22.160 -10.105 1.00 0.00 C ATOM 719 O ALA A 115 -2.932 -22.608 -11.035 1.00 0.00 O ATOM 720 CB ALA A 115 -2.759 -19.927 -9.104 1.00 0.00 C ATOM 0 H ALA A 115 -1.905 -21.132 -7.129 1.00 0.00 H new ATOM 0 HA ALA A 115 -3.993 -21.685 -8.934 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -3.195 -19.613 -10.052 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -3.261 -19.412 -8.285 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -1.698 -19.678 -9.092 1.00 0.00 H new ATOM 726 N GLU A 116 -0.939 -22.281 -10.047 1.00 0.00 N ATOM 727 CA GLU A 116 -0.202 -22.966 -11.105 1.00 0.00 C ATOM 728 C GLU A 116 -0.572 -24.446 -11.146 1.00 0.00 C ATOM 729 O GLU A 116 -0.728 -25.025 -12.221 1.00 0.00 O ATOM 730 CB GLU A 116 1.309 -22.805 -10.882 1.00 0.00 C ATOM 731 CG GLU A 116 1.772 -21.431 -11.382 1.00 0.00 C ATOM 732 CD GLU A 116 1.107 -20.317 -10.580 1.00 0.00 C ATOM 733 OE1 GLU A 116 -0.088 -20.133 -10.740 1.00 0.00 O ATOM 734 OE2 GLU A 116 1.805 -19.661 -9.826 1.00 0.00 O ATOM 0 H GLU A 116 -0.361 -21.919 -9.289 1.00 0.00 H new ATOM 0 HA GLU A 116 -0.470 -22.517 -12.061 1.00 0.00 H new ATOM 0 HB2 GLU A 116 1.542 -22.912 -9.823 1.00 0.00 H new ATOM 0 HB3 GLU A 116 1.848 -23.593 -11.408 1.00 0.00 H new ATOM 0 HG2 GLU A 116 2.856 -21.352 -11.295 1.00 0.00 H new ATOM 0 HG3 GLU A 116 1.528 -21.321 -12.439 1.00 0.00 H new ATOM 741 N SER A 117 -0.706 -25.056 -9.972 1.00 0.00 N ATOM 742 CA SER A 117 -1.054 -26.470 -9.899 1.00 0.00 C ATOM 743 C SER A 117 -2.422 -26.719 -10.525 1.00 0.00 C ATOM 744 O SER A 117 -2.620 -27.701 -11.237 1.00 0.00 O ATOM 745 CB SER A 117 -1.065 -26.930 -8.441 1.00 0.00 C ATOM 746 OG SER A 117 0.255 -26.862 -7.918 1.00 0.00 O ATOM 0 H SER A 117 -0.581 -24.599 -9.069 1.00 0.00 H new ATOM 0 HA SER A 117 -0.306 -27.038 -10.453 1.00 0.00 H new ATOM 0 HB2 SER A 117 -1.734 -26.301 -7.854 1.00 0.00 H new ATOM 0 HB3 SER A 117 -1.444 -27.950 -8.372 1.00 0.00 H new ATOM 0 HG SER A 117 0.480 -25.930 -7.717 1.00 0.00 H new ATOM 771 N ASN A 119 -3.881 -24.742 -12.733 1.00 0.00 N ATOM 772 CA ASN A 119 -3.797 -24.391 -14.148 1.00 0.00 C ATOM 773 C ASN A 119 -2.975 -25.422 -14.913 1.00 0.00 C ATOM 774 O ASN A 119 -2.947 -25.417 -16.144 1.00 0.00 O ATOM 775 CB ASN A 119 -3.158 -23.008 -14.303 1.00 0.00 C ATOM 776 CG ASN A 119 -4.111 -21.935 -13.791 1.00 0.00 C ATOM 777 OD1 ASN A 119 -5.317 -22.168 -13.697 1.00 0.00 O ATOM 778 ND2 ASN A 119 -3.641 -20.767 -13.449 1.00 0.00 N ATOM 0 HA ASN A 119 -4.806 -24.376 -14.559 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -2.220 -22.967 -13.750 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -2.918 -22.824 -15.350 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -4.272 -20.045 -13.103 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -2.642 -20.576 -13.528 1.00 0.00 H new ATOM 785 N SER A 120 -2.308 -26.308 -14.181 1.00 0.00 N ATOM 786 CA SER A 120 -1.491 -27.338 -14.809 1.00 0.00 C ATOM 787 C SER A 120 -2.374 -28.272 -15.630 1.00 0.00 C ATOM 788 O SER A 120 -3.479 -28.616 -15.214 1.00 0.00 O ATOM 789 CB SER A 120 -0.742 -28.139 -13.741 1.00 0.00 C ATOM 790 OG SER A 120 0.030 -29.157 -14.369 1.00 0.00 O ATOM 0 H SER A 120 -2.317 -26.334 -13.161 1.00 0.00 H new ATOM 0 HA SER A 120 -0.766 -26.860 -15.467 1.00 0.00 H new ATOM 0 HB2 SER A 120 -0.094 -27.480 -13.164 1.00 0.00 H new ATOM 0 HB3 SER A 120 -1.449 -28.583 -13.041 1.00 0.00 H new ATOM 0 HG SER A 120 0.512 -29.670 -13.687 1.00 0.00 H new ATOM 796 N CYS A 121 -1.880 -28.673 -16.802 1.00 0.00 N ATOM 797 CA CYS A 121 -2.631 -29.567 -17.691 1.00 0.00 C ATOM 798 C CYS A 121 -1.880 -30.881 -17.867 1.00 0.00 C ATOM 799 O CYS A 121 -0.659 -30.926 -17.736 1.00 0.00 O ATOM 800 CB CYS A 121 -2.820 -28.897 -19.053 1.00 0.00 C ATOM 801 SG CYS A 121 -3.766 -27.367 -18.844 1.00 0.00 S ATOM 0 H CYS A 121 -0.966 -28.395 -17.159 1.00 0.00 H new ATOM 0 HA CYS A 121 -3.606 -29.771 -17.248 1.00 0.00 H new ATOM 0 HB2 CYS A 121 -1.851 -28.680 -19.502 1.00 0.00 H new ATOM 0 HB3 CYS A 121 -3.342 -29.570 -19.733 1.00 0.00 H new ATOM 0 HG CYS A 121 -3.334 -26.729 -17.797 1.00 0.00 H new ATOM 807 N ARG A 122 -2.615 -31.951 -18.148 1.00 0.00 N ATOM 808 CA ARG A 122 -1.994 -33.257 -18.319 1.00 0.00 C ATOM 809 C ARG A 122 -1.010 -33.243 -19.503 1.00 0.00 C ATOM 810 O ARG A 122 -1.386 -32.829 -20.599 1.00 0.00 O ATOM 811 CB ARG A 122 -3.073 -34.311 -18.578 1.00 0.00 C ATOM 812 CG ARG A 122 -2.421 -35.697 -18.575 1.00 0.00 C ATOM 813 CD ARG A 122 -3.489 -36.773 -18.761 1.00 0.00 C ATOM 814 NE ARG A 122 -2.883 -38.101 -18.717 1.00 0.00 N ATOM 815 CZ ARG A 122 -2.339 -38.652 -19.799 1.00 0.00 C ATOM 816 NH1 ARG A 122 -2.329 -38.001 -20.930 1.00 0.00 N ATOM 817 NH2 ARG A 122 -1.816 -39.846 -19.730 1.00 0.00 N ATOM 0 H ARG A 122 -3.629 -31.941 -18.261 1.00 0.00 H new ATOM 0 HA ARG A 122 -1.447 -33.498 -17.407 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -3.846 -34.256 -17.811 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -3.560 -34.125 -19.535 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -1.683 -35.763 -19.374 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -1.890 -35.857 -17.636 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -4.244 -36.684 -17.980 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -3.998 -36.629 -19.714 1.00 0.00 H new ATOM 0 HE ARG A 122 -2.877 -38.617 -17.837 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -2.739 -37.068 -20.985 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -1.912 -38.425 -21.759 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -1.824 -40.356 -18.847 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -1.399 -40.269 -20.559 1.00 0.00 H new ATOM 831 N PRO A 123 0.225 -33.697 -19.339 1.00 0.00 N ATOM 832 CA PRO A 123 1.212 -33.725 -20.472 1.00 0.00 C ATOM 833 C PRO A 123 0.666 -34.443 -21.711 1.00 0.00 C ATOM 834 O PRO A 123 -0.042 -35.443 -21.599 1.00 0.00 O ATOM 835 CB PRO A 123 2.398 -34.517 -19.892 1.00 0.00 C ATOM 836 CG PRO A 123 2.331 -34.282 -18.425 1.00 0.00 C ATOM 837 CD PRO A 123 0.845 -34.194 -18.085 1.00 0.00 C ATOM 0 HA PRO A 123 1.465 -32.719 -20.808 1.00 0.00 H new ATOM 0 HB2 PRO A 123 2.317 -35.578 -20.127 1.00 0.00 H new ATOM 0 HB3 PRO A 123 3.345 -34.170 -20.305 1.00 0.00 H new ATOM 0 HG2 PRO A 123 2.810 -35.093 -17.877 1.00 0.00 H new ATOM 0 HG3 PRO A 123 2.850 -33.363 -18.152 1.00 0.00 H new ATOM 0 HD2 PRO A 123 0.442 -35.165 -17.797 1.00 0.00 H new ATOM 0 HD3 PRO A 123 0.664 -33.514 -17.252 1.00 0.00 H new ATOM 845 N SER A 124 1.008 -33.925 -22.888 1.00 0.00 N ATOM 846 CA SER A 124 0.557 -34.523 -24.142 1.00 0.00 C ATOM 847 C SER A 124 1.101 -35.941 -24.283 1.00 0.00 C ATOM 848 O SER A 124 2.250 -36.215 -23.931 1.00 0.00 O ATOM 849 CB SER A 124 1.029 -33.678 -25.327 1.00 0.00 C ATOM 850 OG SER A 124 0.638 -34.310 -26.541 1.00 0.00 O ATOM 0 H SER A 124 1.593 -33.097 -23.000 1.00 0.00 H new ATOM 0 HA SER A 124 -0.532 -34.559 -24.133 1.00 0.00 H new ATOM 0 HB2 SER A 124 0.599 -32.678 -25.269 1.00 0.00 H new ATOM 0 HB3 SER A 124 2.112 -33.562 -25.297 1.00 0.00 H new ATOM 0 HG SER A 124 0.937 -33.770 -27.302 1.00 0.00 H new ATOM 856 N ASP A 125 0.270 -36.842 -24.797 1.00 0.00 N ATOM 857 CA ASP A 125 0.679 -38.230 -24.976 1.00 0.00 C ATOM 858 C ASP A 125 1.865 -38.319 -25.932 1.00 0.00 C ATOM 859 O ASP A 125 1.933 -37.590 -26.921 1.00 0.00 O ATOM 860 CB ASP A 125 -0.489 -39.047 -25.531 1.00 0.00 C ATOM 861 CG ASP A 125 -1.556 -39.225 -24.456 1.00 0.00 C ATOM 862 OD1 ASP A 125 -1.256 -38.970 -23.302 1.00 0.00 O ATOM 863 OD2 ASP A 125 -2.661 -39.611 -24.804 1.00 0.00 O ATOM 0 H ASP A 125 -0.684 -36.638 -25.095 1.00 0.00 H new ATOM 0 HA ASP A 125 0.977 -38.632 -24.008 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -0.915 -38.544 -26.399 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -0.135 -40.021 -25.869 1.00 0.00 H new ATOM 868 N ALA A 126 2.796 -39.218 -25.630 1.00 0.00 N ATOM 869 CA ALA A 126 3.976 -39.390 -26.470 1.00 0.00 C ATOM 870 C ALA A 126 3.572 -39.828 -27.874 1.00 0.00 C ATOM 871 O ALA A 126 4.182 -39.418 -28.861 1.00 0.00 O ATOM 872 CB ALA A 126 4.908 -40.436 -25.855 1.00 0.00 C ATOM 0 H ALA A 126 2.758 -39.834 -24.818 1.00 0.00 H new ATOM 0 HA ALA A 126 4.497 -38.435 -26.534 1.00 0.00 H new ATOM 0 HB1 ALA A 126 5.786 -40.558 -26.489 1.00 0.00 H new ATOM 0 HB2 ALA A 126 5.219 -40.108 -24.863 1.00 0.00 H new ATOM 0 HB3 ALA A 126 4.384 -41.388 -25.774 1.00 0.00 H new ATOM 878 N SER A 127 2.538 -40.661 -27.956 1.00 0.00 N ATOM 879 CA SER A 127 2.058 -41.149 -29.245 1.00 0.00 C ATOM 880 C SER A 127 1.132 -40.125 -29.892 1.00 0.00 C ATOM 881 O SER A 127 0.794 -40.237 -31.070 1.00 0.00 O ATOM 882 CB SER A 127 1.310 -42.468 -29.055 1.00 0.00 C ATOM 883 OG SER A 127 2.209 -43.453 -28.565 1.00 0.00 O ATOM 0 H SER A 127 2.019 -41.010 -27.150 1.00 0.00 H new ATOM 0 HA SER A 127 2.917 -41.309 -29.897 1.00 0.00 H new ATOM 0 HB2 SER A 127 0.484 -42.333 -28.356 1.00 0.00 H new ATOM 0 HB3 SER A 127 0.877 -42.793 -30.001 1.00 0.00 H new ATOM 0 HG SER A 127 1.731 -44.299 -28.441 1.00 0.00 H new ATOM 889 N ALA A 128 0.726 -39.127 -29.110 1.00 0.00 N ATOM 890 CA ALA A 128 -0.164 -38.079 -29.606 1.00 0.00 C ATOM 891 C ALA A 128 -1.602 -38.590 -29.675 1.00 0.00 C ATOM 892 O ALA A 128 -2.468 -37.954 -30.277 1.00 0.00 O ATOM 893 CB ALA A 128 0.297 -37.603 -30.995 1.00 0.00 C ATOM 0 H ALA A 128 0.998 -39.022 -28.133 1.00 0.00 H new ATOM 0 HA ALA A 128 -0.127 -37.237 -28.915 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -0.374 -36.822 -31.353 1.00 0.00 H new ATOM 0 HB2 ALA A 128 1.310 -37.207 -30.926 1.00 0.00 H new ATOM 0 HB3 ALA A 128 0.282 -38.442 -31.691 1.00 0.00 H new ATOM 899 N THR A 129 -1.845 -39.741 -29.055 1.00 0.00 N ATOM 900 CA THR A 129 -3.179 -40.331 -29.053 1.00 0.00 C ATOM 901 C THR A 129 -4.078 -39.624 -28.046 1.00 0.00 C ATOM 902 O THR A 129 -3.612 -39.146 -27.012 1.00 0.00 O ATOM 903 CB THR A 129 -3.091 -41.820 -28.706 1.00 0.00 C ATOM 904 OG1 THR A 129 -4.388 -42.396 -28.776 1.00 0.00 O ATOM 905 CG2 THR A 129 -2.532 -41.985 -27.292 1.00 0.00 C ATOM 0 H THR A 129 -1.141 -40.280 -28.551 1.00 0.00 H new ATOM 0 HA THR A 129 -3.608 -40.214 -30.048 1.00 0.00 H new ATOM 0 HB THR A 129 -2.431 -42.321 -29.414 1.00 0.00 H new ATOM 0 HG1 THR A 129 -4.335 -43.350 -28.556 1.00 0.00 H new ATOM 0 HG21 THR A 129 -2.470 -43.045 -27.047 1.00 0.00 H new ATOM 0 HG22 THR A 129 -1.538 -41.542 -27.240 1.00 0.00 H new ATOM 0 HG23 THR A 129 -3.189 -41.486 -26.580 1.00 0.00 H new