USER MOD reduce.3.24.130724 H: found=0, std=0, add=325, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 327 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 544 THR OG1 : rot -130:sc= -1.1 USER MOD Single : B 544 THR OG1 : rot 180:sc= -1.13 USER MOD ----------------------------------------------------------------- ATOM 98 N LEU A 543 11.730 16.122 -3.630 1.00 0.00 N ATOM 99 CA LEU A 543 11.245 15.513 -2.397 1.00 0.00 C ATOM 100 C LEU A 543 10.532 16.542 -1.525 1.00 0.00 C ATOM 101 O LEU A 543 11.104 17.570 -1.164 1.00 0.00 O ATOM 102 CB LEU A 543 12.406 14.888 -1.622 1.00 0.00 C ATOM 103 CG LEU A 543 12.029 14.096 -0.370 1.00 0.00 C ATOM 104 CD1 LEU A 543 11.732 15.037 0.788 1.00 0.00 C ATOM 105 CD2 LEU A 543 10.835 13.196 -0.648 1.00 0.00 C ATOM 0 HA LEU A 543 10.532 14.733 -2.663 1.00 0.00 H new ATOM 0 HB2 LEU A 543 12.951 14.227 -2.295 1.00 0.00 H new ATOM 0 HB3 LEU A 543 13.092 15.683 -1.331 1.00 0.00 H new ATOM 0 HG LEU A 543 12.875 13.468 -0.092 1.00 0.00 H new ATOM 0 HD11 LEU A 543 11.466 14.455 1.670 1.00 0.00 H new ATOM 0 HD12 LEU A 543 12.615 15.639 1.003 1.00 0.00 H new ATOM 0 HD13 LEU A 543 10.903 15.692 0.521 1.00 0.00 H new ATOM 0 HD21 LEU A 543 10.581 12.640 0.254 1.00 0.00 H new ATOM 0 HD22 LEU A 543 9.983 13.805 -0.951 1.00 0.00 H new ATOM 0 HD23 LEU A 543 11.084 12.497 -1.447 1.00 0.00 H new ATOM 117 N THR A 544 9.278 16.256 -1.187 1.00 0.00 N ATOM 118 CA THR A 544 8.487 17.154 -0.356 1.00 0.00 C ATOM 119 C THR A 544 7.641 16.376 0.646 1.00 0.00 C ATOM 120 O THR A 544 7.394 15.184 0.470 1.00 0.00 O ATOM 121 CB THR A 544 7.561 18.041 -1.211 1.00 0.00 C ATOM 122 OG1 THR A 544 6.248 17.473 -1.263 1.00 0.00 O ATOM 123 CG2 THR A 544 8.109 18.192 -2.622 1.00 0.00 C ATOM 0 H THR A 544 8.789 15.409 -1.477 1.00 0.00 H new ATOM 0 HA THR A 544 9.192 17.788 0.182 1.00 0.00 H new ATOM 0 HB THR A 544 7.511 19.027 -0.749 1.00 0.00 H new ATOM 0 HG1 THR A 544 5.948 17.428 -2.195 1.00 0.00 H new ATOM 0 HG21 THR A 544 7.439 18.822 -3.207 1.00 0.00 H new ATOM 0 HG22 THR A 544 9.096 18.652 -2.582 1.00 0.00 H new ATOM 0 HG23 THR A 544 8.185 17.210 -3.090 1.00 0.00 H new ATOM 131 N GLY A 545 7.201 17.059 1.698 1.00 0.00 N ATOM 132 CA GLY A 545 6.388 16.416 2.713 1.00 0.00 C ATOM 133 C GLY A 545 5.217 15.657 2.121 1.00 0.00 C ATOM 134 O GLY A 545 4.950 14.517 2.502 1.00 0.00 O ATOM 0 H GLY A 545 7.393 18.047 1.865 1.00 0.00 H new ATOM 0 HA2 GLY A 545 7.008 15.730 3.290 1.00 0.00 H new ATOM 0 HA3 GLY A 545 6.015 17.169 3.407 1.00 0.00 H new ATOM 138 N GLY A 546 4.513 16.290 1.188 1.00 0.00 N ATOM 139 CA GLY A 546 3.371 15.652 0.560 1.00 0.00 C ATOM 140 C GLY A 546 3.751 14.390 -0.190 1.00 0.00 C ATOM 141 O GLY A 546 2.965 13.446 -0.267 1.00 0.00 O ATOM 0 H GLY A 546 4.713 17.233 0.856 1.00 0.00 H new ATOM 0 HA2 GLY A 546 2.630 15.409 1.322 1.00 0.00 H new ATOM 0 HA3 GLY A 546 2.901 16.353 -0.130 1.00 0.00 H new ATOM 145 N GLU A 547 4.959 14.374 -0.744 1.00 0.00 N ATOM 146 CA GLU A 547 5.440 13.219 -1.493 1.00 0.00 C ATOM 147 C GLU A 547 5.659 12.025 -0.569 1.00 0.00 C ATOM 148 O GLU A 547 5.331 10.890 -0.916 1.00 0.00 O ATOM 149 CB GLU A 547 6.742 13.561 -2.220 1.00 0.00 C ATOM 150 CG GLU A 547 6.729 14.930 -2.881 1.00 0.00 C ATOM 151 CD GLU A 547 7.571 14.978 -4.142 1.00 0.00 C ATOM 152 OE1 GLU A 547 8.787 15.237 -4.033 1.00 0.00 O ATOM 153 OE2 GLU A 547 7.012 14.755 -5.237 1.00 0.00 O ATOM 0 H GLU A 547 5.622 15.147 -0.688 1.00 0.00 H new ATOM 0 HA GLU A 547 4.681 12.953 -2.229 1.00 0.00 H new ATOM 0 HB2 GLU A 547 7.567 13.518 -1.509 1.00 0.00 H new ATOM 0 HB3 GLU A 547 6.935 12.802 -2.979 1.00 0.00 H new ATOM 0 HG2 GLU A 547 5.702 15.202 -3.124 1.00 0.00 H new ATOM 0 HG3 GLU A 547 7.097 15.674 -2.174 1.00 0.00 H new ATOM 160 N ILE A 548 6.218 12.289 0.607 1.00 0.00 N ATOM 161 CA ILE A 548 6.481 11.237 1.580 1.00 0.00 C ATOM 162 C ILE A 548 5.181 10.647 2.117 1.00 0.00 C ATOM 163 O ILE A 548 4.962 9.437 2.054 1.00 0.00 O ATOM 164 CB ILE A 548 7.321 11.759 2.762 1.00 0.00 C ATOM 165 CG1 ILE A 548 8.756 12.037 2.311 1.00 0.00 C ATOM 166 CG2 ILE A 548 7.303 10.758 3.907 1.00 0.00 C ATOM 167 CD1 ILE A 548 9.052 13.506 2.108 1.00 0.00 C ATOM 0 H ILE A 548 6.497 13.222 0.909 1.00 0.00 H new ATOM 0 HA ILE A 548 7.043 10.461 1.060 1.00 0.00 H new ATOM 0 HB ILE A 548 6.884 12.693 3.116 1.00 0.00 H new ATOM 0 HG12 ILE A 548 9.446 11.635 3.053 1.00 0.00 H new ATOM 0 HG13 ILE A 548 8.945 11.505 1.379 1.00 0.00 H new ATOM 0 HG21 ILE A 548 7.901 11.141 4.734 1.00 0.00 H new ATOM 0 HG22 ILE A 548 6.277 10.605 4.241 1.00 0.00 H new ATOM 0 HG23 ILE A 548 7.719 9.809 3.568 1.00 0.00 H new ATOM 0 HD11 ILE A 548 10.087 13.628 1.789 1.00 0.00 H new ATOM 0 HD12 ILE A 548 8.387 13.909 1.344 1.00 0.00 H new ATOM 0 HD13 ILE A 548 8.896 14.041 3.044 1.00 0.00 H new ATOM 179 N VAL A 549 4.319 11.510 2.646 1.00 0.00 N ATOM 180 CA VAL A 549 3.039 11.077 3.191 1.00 0.00 C ATOM 181 C VAL A 549 2.195 10.383 2.127 1.00 0.00 C ATOM 182 O VAL A 549 1.410 9.486 2.431 1.00 0.00 O ATOM 183 CB VAL A 549 2.244 12.262 3.769 1.00 0.00 C ATOM 184 CG1 VAL A 549 3.149 13.158 4.601 1.00 0.00 C ATOM 185 CG2 VAL A 549 1.579 13.053 2.652 1.00 0.00 C ATOM 0 H VAL A 549 4.485 12.514 2.708 1.00 0.00 H new ATOM 0 HA VAL A 549 3.259 10.372 3.993 1.00 0.00 H new ATOM 0 HB VAL A 549 1.463 11.869 4.420 1.00 0.00 H new ATOM 0 HG11 VAL A 549 2.569 13.990 5.001 1.00 0.00 H new ATOM 0 HG12 VAL A 549 3.574 12.583 5.424 1.00 0.00 H new ATOM 0 HG13 VAL A 549 3.954 13.544 3.975 1.00 0.00 H new ATOM 0 HG21 VAL A 549 1.021 13.887 3.079 1.00 0.00 H new ATOM 0 HG22 VAL A 549 2.341 13.436 1.973 1.00 0.00 H new ATOM 0 HG23 VAL A 549 0.897 12.404 2.103 1.00 0.00 H new ATOM 195 N ALA A 550 2.362 10.807 0.879 1.00 0.00 N ATOM 196 CA ALA A 550 1.618 10.225 -0.231 1.00 0.00 C ATOM 197 C ALA A 550 2.049 8.785 -0.486 1.00 0.00 C ATOM 198 O ALA A 550 1.212 7.891 -0.622 1.00 0.00 O ATOM 199 CB ALA A 550 1.802 11.063 -1.488 1.00 0.00 C ATOM 0 H ALA A 550 3.006 11.551 0.611 1.00 0.00 H new ATOM 0 HA ALA A 550 0.561 10.219 0.037 1.00 0.00 H new ATOM 0 HB1 ALA A 550 1.241 10.616 -2.309 1.00 0.00 H new ATOM 0 HB2 ALA A 550 1.438 12.074 -1.308 1.00 0.00 H new ATOM 0 HB3 ALA A 550 2.860 11.099 -1.749 1.00 0.00 H new ATOM 205 N VAL A 551 3.358 8.566 -0.551 1.00 0.00 N ATOM 206 CA VAL A 551 3.900 7.234 -0.789 1.00 0.00 C ATOM 207 C VAL A 551 3.452 6.257 0.292 1.00 0.00 C ATOM 208 O VAL A 551 2.976 5.160 -0.006 1.00 0.00 O ATOM 209 CB VAL A 551 5.439 7.254 -0.841 1.00 0.00 C ATOM 210 CG1 VAL A 551 5.992 5.837 -0.846 1.00 0.00 C ATOM 211 CG2 VAL A 551 5.920 8.027 -2.061 1.00 0.00 C ATOM 0 H VAL A 551 4.063 9.295 -0.442 1.00 0.00 H new ATOM 0 HA VAL A 551 3.516 6.905 -1.755 1.00 0.00 H new ATOM 0 HB VAL A 551 5.809 7.759 0.051 1.00 0.00 H new ATOM 0 HG11 VAL A 551 7.081 5.871 -0.883 1.00 0.00 H new ATOM 0 HG12 VAL A 551 5.676 5.320 0.060 1.00 0.00 H new ATOM 0 HG13 VAL A 551 5.616 5.303 -1.719 1.00 0.00 H new ATOM 0 HG21 VAL A 551 7.010 8.031 -2.083 1.00 0.00 H new ATOM 0 HG22 VAL A 551 5.541 7.551 -2.966 1.00 0.00 H new ATOM 0 HG23 VAL A 551 5.554 9.052 -2.010 1.00 0.00 H new ATOM 221 N ILE A 552 3.607 6.662 1.548 1.00 0.00 N ATOM 222 CA ILE A 552 3.217 5.822 2.674 1.00 0.00 C ATOM 223 C ILE A 552 1.712 5.576 2.681 1.00 0.00 C ATOM 224 O ILE A 552 1.245 4.529 3.130 1.00 0.00 O ATOM 225 CB ILE A 552 3.629 6.454 4.017 1.00 0.00 C ATOM 226 CG1 ILE A 552 3.209 5.553 5.180 1.00 0.00 C ATOM 227 CG2 ILE A 552 3.013 7.838 4.162 1.00 0.00 C ATOM 228 CD1 ILE A 552 3.653 6.066 6.531 1.00 0.00 C ATOM 0 H ILE A 552 4.000 7.566 1.811 1.00 0.00 H new ATOM 0 HA ILE A 552 3.737 4.872 2.554 1.00 0.00 H new ATOM 0 HB ILE A 552 4.714 6.557 4.036 1.00 0.00 H new ATOM 0 HG12 ILE A 552 2.124 5.452 5.177 1.00 0.00 H new ATOM 0 HG13 ILE A 552 3.622 4.556 5.025 1.00 0.00 H new ATOM 0 HG21 ILE A 552 3.313 8.272 5.116 1.00 0.00 H new ATOM 0 HG22 ILE A 552 3.357 8.477 3.349 1.00 0.00 H new ATOM 0 HG23 ILE A 552 1.927 7.758 4.126 1.00 0.00 H new ATOM 0 HD11 ILE A 552 3.321 5.378 7.309 1.00 0.00 H new ATOM 0 HD12 ILE A 552 4.740 6.141 6.553 1.00 0.00 H new ATOM 0 HD13 ILE A 552 3.218 7.050 6.707 1.00 0.00 H new ATOM 240 N PHE A 553 0.957 6.548 2.179 1.00 0.00 N ATOM 241 CA PHE A 553 -0.496 6.437 2.127 1.00 0.00 C ATOM 242 C PHE A 553 -0.922 5.313 1.186 1.00 0.00 C ATOM 243 O PHE A 553 -1.695 4.433 1.562 1.00 0.00 O ATOM 244 CB PHE A 553 -1.114 7.760 1.671 1.00 0.00 C ATOM 245 CG PHE A 553 -2.563 7.903 2.038 1.00 0.00 C ATOM 246 CD1 PHE A 553 -3.513 7.043 1.511 1.00 0.00 C ATOM 247 CD2 PHE A 553 -2.975 8.897 2.911 1.00 0.00 C ATOM 248 CE1 PHE A 553 -4.847 7.173 1.847 1.00 0.00 C ATOM 249 CE2 PHE A 553 -4.308 9.032 3.251 1.00 0.00 C ATOM 250 CZ PHE A 553 -5.246 8.169 2.718 1.00 0.00 C ATOM 0 H PHE A 553 1.327 7.421 1.803 1.00 0.00 H new ATOM 0 HA PHE A 553 -0.854 6.203 3.130 1.00 0.00 H new ATOM 0 HB2 PHE A 553 -0.553 8.585 2.111 1.00 0.00 H new ATOM 0 HB3 PHE A 553 -1.011 7.846 0.589 1.00 0.00 H new ATOM 0 HD1 PHE A 553 -3.207 6.262 0.830 1.00 0.00 H new ATOM 0 HD2 PHE A 553 -2.246 9.574 3.331 1.00 0.00 H new ATOM 0 HE1 PHE A 553 -5.578 6.496 1.429 1.00 0.00 H new ATOM 0 HE2 PHE A 553 -4.616 9.811 3.933 1.00 0.00 H new ATOM 0 HZ PHE A 553 -6.288 8.272 2.981 1.00 0.00 H new ATOM 260 N GLY A 554 -0.412 5.351 -0.042 1.00 0.00 N ATOM 261 CA GLY A 554 -0.751 4.332 -1.018 1.00 0.00 C ATOM 262 C GLY A 554 -0.039 3.020 -0.757 1.00 0.00 C ATOM 263 O GLY A 554 -0.548 1.951 -1.094 1.00 0.00 O ATOM 0 H GLY A 554 0.230 6.069 -0.378 1.00 0.00 H new ATOM 0 HA2 GLY A 554 -1.828 4.166 -1.006 1.00 0.00 H new ATOM 0 HA3 GLY A 554 -0.494 4.689 -2.015 1.00 0.00 H new ATOM 267 N LEU A 555 1.144 3.101 -0.158 1.00 0.00 N ATOM 268 CA LEU A 555 1.930 1.909 0.147 1.00 0.00 C ATOM 269 C LEU A 555 1.302 1.120 1.291 1.00 0.00 C ATOM 270 O LEU A 555 1.227 -0.108 1.245 1.00 0.00 O ATOM 271 CB LEU A 555 3.364 2.299 0.507 1.00 0.00 C ATOM 272 CG LEU A 555 4.177 1.247 1.263 1.00 0.00 C ATOM 273 CD1 LEU A 555 4.313 -0.020 0.433 1.00 0.00 C ATOM 274 CD2 LEU A 555 5.546 1.794 1.633 1.00 0.00 C ATOM 0 H LEU A 555 1.580 3.978 0.126 1.00 0.00 H new ATOM 0 HA LEU A 555 1.944 1.276 -0.740 1.00 0.00 H new ATOM 0 HB2 LEU A 555 3.894 2.546 -0.413 1.00 0.00 H new ATOM 0 HB3 LEU A 555 3.332 3.206 1.110 1.00 0.00 H new ATOM 0 HG LEU A 555 3.647 0.999 2.183 1.00 0.00 H new ATOM 0 HD11 LEU A 555 4.894 -0.757 0.987 1.00 0.00 H new ATOM 0 HD12 LEU A 555 3.323 -0.424 0.221 1.00 0.00 H new ATOM 0 HD13 LEU A 555 4.819 0.212 -0.504 1.00 0.00 H new ATOM 0 HD21 LEU A 555 6.110 1.031 2.170 1.00 0.00 H new ATOM 0 HD22 LEU A 555 6.084 2.072 0.727 1.00 0.00 H new ATOM 0 HD23 LEU A 555 5.428 2.672 2.268 1.00 0.00 H new ATOM 286 N LEU A 556 0.851 1.834 2.317 1.00 0.00 N ATOM 287 CA LEU A 556 0.227 1.201 3.473 1.00 0.00 C ATOM 288 C LEU A 556 -1.133 0.616 3.106 1.00 0.00 C ATOM 289 O LEU A 556 -1.374 -0.579 3.280 1.00 0.00 O ATOM 290 CB LEU A 556 0.071 2.213 4.610 1.00 0.00 C ATOM 291 CG LEU A 556 1.326 2.491 5.438 1.00 0.00 C ATOM 292 CD1 LEU A 556 1.036 3.526 6.515 1.00 0.00 C ATOM 293 CD2 LEU A 556 1.852 1.205 6.059 1.00 0.00 C ATOM 0 H LEU A 556 0.906 2.851 2.371 1.00 0.00 H new ATOM 0 HA LEU A 556 0.873 0.388 3.804 1.00 0.00 H new ATOM 0 HB2 LEU A 556 -0.276 3.155 4.186 1.00 0.00 H new ATOM 0 HB3 LEU A 556 -0.711 1.858 5.281 1.00 0.00 H new ATOM 0 HG LEU A 556 2.094 2.891 4.776 1.00 0.00 H new ATOM 0 HD11 LEU A 556 1.940 3.711 7.094 1.00 0.00 H new ATOM 0 HD12 LEU A 556 0.707 4.455 6.048 1.00 0.00 H new ATOM 0 HD13 LEU A 556 0.252 3.155 7.175 1.00 0.00 H new ATOM 0 HD21 LEU A 556 2.745 1.423 6.644 1.00 0.00 H new ATOM 0 HD22 LEU A 556 1.089 0.775 6.708 1.00 0.00 H new ATOM 0 HD23 LEU A 556 2.099 0.495 5.270 1.00 0.00 H new ATOM 305 N LEU A 557 -2.018 1.466 2.597 1.00 0.00 N ATOM 306 CA LEU A 557 -3.354 1.034 2.202 1.00 0.00 C ATOM 307 C LEU A 557 -3.290 0.089 1.007 1.00 0.00 C ATOM 308 O LEU A 557 -4.175 -0.743 0.812 1.00 0.00 O ATOM 309 CB LEU A 557 -4.224 2.246 1.863 1.00 0.00 C ATOM 310 CG LEU A 557 -4.831 2.990 3.054 1.00 0.00 C ATOM 311 CD1 LEU A 557 -5.659 4.173 2.576 1.00 0.00 C ATOM 312 CD2 LEU A 557 -5.679 2.048 3.896 1.00 0.00 C ATOM 0 H LEU A 557 -1.835 2.458 2.448 1.00 0.00 H new ATOM 0 HA LEU A 557 -3.799 0.499 3.041 1.00 0.00 H new ATOM 0 HB2 LEU A 557 -3.623 2.950 1.288 1.00 0.00 H new ATOM 0 HB3 LEU A 557 -5.035 1.916 1.214 1.00 0.00 H new ATOM 0 HG LEU A 557 -4.019 3.367 3.675 1.00 0.00 H new ATOM 0 HD11 LEU A 557 -6.084 4.691 3.436 1.00 0.00 H new ATOM 0 HD12 LEU A 557 -5.024 4.859 2.016 1.00 0.00 H new ATOM 0 HD13 LEU A 557 -6.464 3.817 1.933 1.00 0.00 H new ATOM 0 HD21 LEU A 557 -6.103 2.595 4.739 1.00 0.00 H new ATOM 0 HD22 LEU A 557 -6.485 1.640 3.286 1.00 0.00 H new ATOM 0 HD23 LEU A 557 -5.058 1.233 4.268 1.00 0.00 H new ATOM 324 N GLY A 558 -2.236 0.223 0.209 1.00 0.00 N ATOM 325 CA GLY A 558 -2.074 -0.627 -0.956 1.00 0.00 C ATOM 326 C GLY A 558 -1.841 -2.079 -0.588 1.00 0.00 C ATOM 327 O GLY A 558 -2.602 -2.958 -0.992 1.00 0.00 O ATOM 0 H GLY A 558 -1.491 0.905 0.348 1.00 0.00 H new ATOM 0 HA2 GLY A 558 -2.963 -0.553 -1.582 1.00 0.00 H new ATOM 0 HA3 GLY A 558 -1.234 -0.267 -1.550 1.00 0.00 H new ATOM 331 N ALA A 559 -0.787 -2.332 0.181 1.00 0.00 N ATOM 332 CA ALA A 559 -0.456 -3.686 0.604 1.00 0.00 C ATOM 333 C ALA A 559 -1.474 -4.210 1.612 1.00 0.00 C ATOM 334 O ALA A 559 -1.923 -5.352 1.518 1.00 0.00 O ATOM 335 CB ALA A 559 0.945 -3.727 1.195 1.00 0.00 C ATOM 0 H ALA A 559 -0.147 -1.615 0.524 1.00 0.00 H new ATOM 0 HA ALA A 559 -0.487 -4.332 -0.273 1.00 0.00 H new ATOM 0 HB1 ALA A 559 1.179 -4.745 1.507 1.00 0.00 H new ATOM 0 HB2 ALA A 559 1.666 -3.403 0.445 1.00 0.00 H new ATOM 0 HB3 ALA A 559 0.996 -3.063 2.058 1.00 0.00 H new ATOM 341 N ALA A 560 -1.834 -3.368 2.574 1.00 0.00 N ATOM 342 CA ALA A 560 -2.799 -3.746 3.598 1.00 0.00 C ATOM 343 C ALA A 560 -4.073 -4.302 2.973 1.00 0.00 C ATOM 344 O ALA A 560 -4.451 -5.449 3.223 1.00 0.00 O ATOM 345 CB ALA A 560 -3.122 -2.554 4.486 1.00 0.00 C ATOM 0 H ALA A 560 -1.472 -2.419 2.666 1.00 0.00 H new ATOM 0 HA ALA A 560 -2.353 -4.530 4.210 1.00 0.00 H new ATOM 0 HB1 ALA A 560 -3.844 -2.852 5.246 1.00 0.00 H new ATOM 0 HB2 ALA A 560 -2.210 -2.203 4.969 1.00 0.00 H new ATOM 0 HB3 ALA A 560 -3.543 -1.752 3.880 1.00 0.00 H new ATOM 351 N LEU A 561 -4.732 -3.486 2.159 1.00 0.00 N ATOM 352 CA LEU A 561 -5.966 -3.896 1.497 1.00 0.00 C ATOM 353 C LEU A 561 -5.739 -5.139 0.643 1.00 0.00 C ATOM 354 O LEU A 561 -6.529 -6.083 0.678 1.00 0.00 O ATOM 355 CB LEU A 561 -6.506 -2.758 0.628 1.00 0.00 C ATOM 356 CG LEU A 561 -7.860 -3.005 -0.037 1.00 0.00 C ATOM 357 CD1 LEU A 561 -8.950 -3.162 1.013 1.00 0.00 C ATOM 358 CD2 LEU A 561 -8.198 -1.872 -0.995 1.00 0.00 C ATOM 0 H LEU A 561 -4.433 -2.536 1.941 1.00 0.00 H new ATOM 0 HA LEU A 561 -6.699 -4.135 2.267 1.00 0.00 H new ATOM 0 HB2 LEU A 561 -6.585 -1.863 1.245 1.00 0.00 H new ATOM 0 HB3 LEU A 561 -5.775 -2.545 -0.151 1.00 0.00 H new ATOM 0 HG LEU A 561 -7.799 -3.931 -0.609 1.00 0.00 H new ATOM 0 HD11 LEU A 561 -9.907 -3.337 0.521 1.00 0.00 H new ATOM 0 HD12 LEU A 561 -8.714 -4.008 1.659 1.00 0.00 H new ATOM 0 HD13 LEU A 561 -9.011 -2.254 1.613 1.00 0.00 H new ATOM 0 HD21 LEU A 561 -9.165 -2.065 -1.459 1.00 0.00 H new ATOM 0 HD22 LEU A 561 -8.240 -0.931 -0.446 1.00 0.00 H new ATOM 0 HD23 LEU A 561 -7.431 -1.807 -1.767 1.00 0.00 H new ATOM 370 N LEU A 562 -4.652 -5.135 -0.121 1.00 0.00 N ATOM 371 CA LEU A 562 -4.317 -6.263 -0.983 1.00 0.00 C ATOM 372 C LEU A 562 -4.326 -7.570 -0.196 1.00 0.00 C ATOM 373 O LEU A 562 -5.076 -8.493 -0.514 1.00 0.00 O ATOM 374 CB LEU A 562 -2.947 -6.049 -1.627 1.00 0.00 C ATOM 375 CG LEU A 562 -2.415 -7.208 -2.473 1.00 0.00 C ATOM 376 CD1 LEU A 562 -2.785 -7.014 -3.935 1.00 0.00 C ATOM 377 CD2 LEU A 562 -0.907 -7.335 -2.315 1.00 0.00 C ATOM 0 H LEU A 562 -3.987 -4.362 -0.161 1.00 0.00 H new ATOM 0 HA LEU A 562 -5.072 -6.328 -1.767 1.00 0.00 H new ATOM 0 HB2 LEU A 562 -2.998 -5.160 -2.256 1.00 0.00 H new ATOM 0 HB3 LEU A 562 -2.225 -5.840 -0.837 1.00 0.00 H new ATOM 0 HG LEU A 562 -2.876 -8.131 -2.122 1.00 0.00 H new ATOM 0 HD11 LEU A 562 -2.399 -7.847 -4.522 1.00 0.00 H new ATOM 0 HD12 LEU A 562 -3.870 -6.973 -4.033 1.00 0.00 H new ATOM 0 HD13 LEU A 562 -2.352 -6.082 -4.299 1.00 0.00 H new ATOM 0 HD21 LEU A 562 -0.546 -8.164 -2.924 1.00 0.00 H new ATOM 0 HD22 LEU A 562 -0.428 -6.411 -2.640 1.00 0.00 H new ATOM 0 HD23 LEU A 562 -0.665 -7.521 -1.269 1.00 0.00 H new ATOM 389 N LEU A 563 -3.488 -7.640 0.832 1.00 0.00 N ATOM 390 CA LEU A 563 -3.399 -8.833 1.667 1.00 0.00 C ATOM 391 C LEU A 563 -4.779 -9.258 2.158 1.00 0.00 C ATOM 392 O LEU A 563 -5.112 -10.443 2.158 1.00 0.00 O ATOM 393 CB LEU A 563 -2.477 -8.577 2.861 1.00 0.00 C ATOM 394 CG LEU A 563 -1.911 -9.819 3.550 1.00 0.00 C ATOM 395 CD1 LEU A 563 -0.594 -10.231 2.910 1.00 0.00 C ATOM 396 CD2 LEU A 563 -1.727 -9.565 5.039 1.00 0.00 C ATOM 0 H LEU A 563 -2.860 -6.885 1.108 1.00 0.00 H new ATOM 0 HA LEU A 563 -2.984 -9.639 1.062 1.00 0.00 H new ATOM 0 HB2 LEU A 563 -1.643 -7.961 2.525 1.00 0.00 H new ATOM 0 HB3 LEU A 563 -3.026 -7.994 3.600 1.00 0.00 H new ATOM 0 HG LEU A 563 -2.622 -10.636 3.426 1.00 0.00 H new ATOM 0 HD11 LEU A 563 -0.206 -11.117 3.413 1.00 0.00 H new ATOM 0 HD12 LEU A 563 -0.756 -10.455 1.856 1.00 0.00 H new ATOM 0 HD13 LEU A 563 0.125 -9.417 3.002 1.00 0.00 H new ATOM 0 HD21 LEU A 563 -1.323 -10.459 5.514 1.00 0.00 H new ATOM 0 HD22 LEU A 563 -1.036 -8.734 5.184 1.00 0.00 H new ATOM 0 HD23 LEU A 563 -2.689 -9.319 5.488 1.00 0.00 H new ATOM 408 N GLY A 564 -5.580 -8.282 2.574 1.00 0.00 N ATOM 409 CA GLY A 564 -6.916 -8.575 3.060 1.00 0.00 C ATOM 410 C GLY A 564 -7.743 -9.347 2.052 1.00 0.00 C ATOM 411 O GLY A 564 -8.399 -10.329 2.400 1.00 0.00 O ATOM 0 H GLY A 564 -5.328 -7.294 2.583 1.00 0.00 H new ATOM 0 HA2 GLY A 564 -6.845 -9.150 3.984 1.00 0.00 H new ATOM 0 HA3 GLY A 564 -7.424 -7.642 3.303 1.00 0.00 H new ATOM 673 N GLY B 542 -4.309 20.774 -0.677 1.00 0.00 N ATOM 674 CA GLY B 542 -3.821 19.526 -0.119 1.00 0.00 C ATOM 675 C GLY B 542 -3.583 18.471 -1.181 1.00 0.00 C ATOM 676 O GLY B 542 -3.517 17.279 -0.878 1.00 0.00 O ATOM 0 HA2 GLY B 542 -2.892 19.711 0.420 1.00 0.00 H new ATOM 0 HA3 GLY B 542 -4.541 19.150 0.608 1.00 0.00 H new ATOM 680 N LEU B 543 -3.453 18.909 -2.429 1.00 0.00 N ATOM 681 CA LEU B 543 -3.221 17.993 -3.540 1.00 0.00 C ATOM 682 C LEU B 543 -2.229 18.584 -4.536 1.00 0.00 C ATOM 683 O LEU B 543 -2.433 19.681 -5.057 1.00 0.00 O ATOM 684 CB LEU B 543 -4.540 17.673 -4.247 1.00 0.00 C ATOM 685 CG LEU B 543 -4.470 16.625 -5.357 1.00 0.00 C ATOM 686 CD1 LEU B 543 -3.907 17.233 -6.631 1.00 0.00 C ATOM 687 CD2 LEU B 543 -3.630 15.435 -4.914 1.00 0.00 C ATOM 0 H LEU B 543 -3.504 19.892 -2.696 1.00 0.00 H new ATOM 0 HA LEU B 543 -2.798 17.073 -3.137 1.00 0.00 H new ATOM 0 HB2 LEU B 543 -5.257 17.334 -3.499 1.00 0.00 H new ATOM 0 HB3 LEU B 543 -4.935 18.596 -4.671 1.00 0.00 H new ATOM 0 HG LEU B 543 -5.481 16.274 -5.564 1.00 0.00 H new ATOM 0 HD11 LEU B 543 -3.865 16.472 -7.410 1.00 0.00 H new ATOM 0 HD12 LEU B 543 -4.548 18.051 -6.958 1.00 0.00 H new ATOM 0 HD13 LEU B 543 -2.903 17.613 -6.440 1.00 0.00 H new ATOM 0 HD21 LEU B 543 -3.591 14.698 -5.717 1.00 0.00 H new ATOM 0 HD22 LEU B 543 -2.620 15.770 -4.679 1.00 0.00 H new ATOM 0 HD23 LEU B 543 -4.077 14.983 -4.029 1.00 0.00 H new ATOM 699 N THR B 544 -1.151 17.850 -4.796 1.00 0.00 N ATOM 700 CA THR B 544 -0.127 18.301 -5.730 1.00 0.00 C ATOM 701 C THR B 544 0.373 17.150 -6.596 1.00 0.00 C ATOM 702 O THR B 544 0.206 15.981 -6.249 1.00 0.00 O ATOM 703 CB THR B 544 1.069 18.930 -4.991 1.00 0.00 C ATOM 704 OG1 THR B 544 2.110 17.960 -4.830 1.00 0.00 O ATOM 705 CG2 THR B 544 0.646 19.458 -3.628 1.00 0.00 C ATOM 0 H THR B 544 -0.965 16.941 -4.373 1.00 0.00 H new ATOM 0 HA THR B 544 -0.589 19.056 -6.366 1.00 0.00 H new ATOM 0 HB THR B 544 1.439 19.764 -5.587 1.00 0.00 H new ATOM 0 HG1 THR B 544 2.867 18.368 -4.361 1.00 0.00 H new ATOM 0 HG21 THR B 544 1.507 19.898 -3.125 1.00 0.00 H new ATOM 0 HG22 THR B 544 -0.126 20.217 -3.755 1.00 0.00 H new ATOM 0 HG23 THR B 544 0.253 18.638 -3.026 1.00 0.00 H new ATOM 713 N GLY B 545 0.989 17.488 -7.725 1.00 0.00 N ATOM 714 CA GLY B 545 1.505 16.471 -8.622 1.00 0.00 C ATOM 715 C GLY B 545 2.361 15.445 -7.906 1.00 0.00 C ATOM 716 O GLY B 545 2.208 14.243 -8.115 1.00 0.00 O ATOM 0 H GLY B 545 1.140 18.448 -8.034 1.00 0.00 H new ATOM 0 HA2 GLY B 545 0.672 15.966 -9.111 1.00 0.00 H new ATOM 0 HA3 GLY B 545 2.094 16.947 -9.406 1.00 0.00 H new ATOM 720 N GLY B 546 3.268 15.923 -7.058 1.00 0.00 N ATOM 721 CA GLY B 546 4.140 15.025 -6.322 1.00 0.00 C ATOM 722 C GLY B 546 3.371 14.089 -5.410 1.00 0.00 C ATOM 723 O GLY B 546 3.790 12.954 -5.183 1.00 0.00 O ATOM 0 H GLY B 546 3.414 16.914 -6.868 1.00 0.00 H new ATOM 0 HA2 GLY B 546 4.730 14.438 -7.026 1.00 0.00 H new ATOM 0 HA3 GLY B 546 4.842 15.611 -5.728 1.00 0.00 H new ATOM 727 N GLU B 547 2.247 14.565 -4.886 1.00 0.00 N ATOM 728 CA GLU B 547 1.421 13.762 -3.992 1.00 0.00 C ATOM 729 C GLU B 547 0.779 12.600 -4.742 1.00 0.00 C ATOM 730 O GLU B 547 0.706 11.482 -4.230 1.00 0.00 O ATOM 731 CB GLU B 547 0.338 14.629 -3.347 1.00 0.00 C ATOM 732 CG GLU B 547 0.839 15.985 -2.880 1.00 0.00 C ATOM 733 CD GLU B 547 0.106 16.489 -1.653 1.00 0.00 C ATOM 734 OE1 GLU B 547 -0.946 17.143 -1.819 1.00 0.00 O ATOM 735 OE2 GLU B 547 0.581 16.231 -0.528 1.00 0.00 O ATOM 0 H GLU B 547 1.887 15.502 -5.065 1.00 0.00 H new ATOM 0 HA GLU B 547 2.064 13.356 -3.211 1.00 0.00 H new ATOM 0 HB2 GLU B 547 -0.471 14.777 -4.063 1.00 0.00 H new ATOM 0 HB3 GLU B 547 -0.084 14.095 -2.496 1.00 0.00 H new ATOM 0 HG2 GLU B 547 1.904 15.918 -2.660 1.00 0.00 H new ATOM 0 HG3 GLU B 547 0.726 16.708 -3.688 1.00 0.00 H new ATOM 742 N ILE B 548 0.315 12.871 -5.958 1.00 0.00 N ATOM 743 CA ILE B 548 -0.321 11.848 -6.778 1.00 0.00 C ATOM 744 C ILE B 548 0.682 10.780 -7.199 1.00 0.00 C ATOM 745 O ILE B 548 0.476 9.590 -6.958 1.00 0.00 O ATOM 746 CB ILE B 548 -0.964 12.457 -8.038 1.00 0.00 C ATOM 747 CG1 ILE B 548 -2.204 13.272 -7.661 1.00 0.00 C ATOM 748 CG2 ILE B 548 -1.325 11.362 -9.030 1.00 0.00 C ATOM 749 CD1 ILE B 548 -1.973 14.767 -7.681 1.00 0.00 C ATOM 0 H ILE B 548 0.368 13.790 -6.396 1.00 0.00 H new ATOM 0 HA ILE B 548 -1.099 11.392 -6.167 1.00 0.00 H new ATOM 0 HB ILE B 548 -0.243 13.124 -8.510 1.00 0.00 H new ATOM 0 HG12 ILE B 548 -3.013 13.028 -8.350 1.00 0.00 H new ATOM 0 HG13 ILE B 548 -2.534 12.977 -6.665 1.00 0.00 H new ATOM 0 HG21 ILE B 548 -1.778 11.808 -9.915 1.00 0.00 H new ATOM 0 HG22 ILE B 548 -0.424 10.820 -9.318 1.00 0.00 H new ATOM 0 HG23 ILE B 548 -2.032 10.672 -8.569 1.00 0.00 H new ATOM 0 HD11 ILE B 548 -2.893 15.281 -7.404 1.00 0.00 H new ATOM 0 HD12 ILE B 548 -1.186 15.023 -6.971 1.00 0.00 H new ATOM 0 HD13 ILE B 548 -1.672 15.075 -8.682 1.00 0.00 H new ATOM 761 N VAL B 549 1.771 11.212 -7.827 1.00 0.00 N ATOM 762 CA VAL B 549 2.807 10.293 -8.280 1.00 0.00 C ATOM 763 C VAL B 549 3.390 9.504 -7.112 1.00 0.00 C ATOM 764 O VAL B 549 3.807 8.357 -7.271 1.00 0.00 O ATOM 765 CB VAL B 549 3.946 11.041 -8.998 1.00 0.00 C ATOM 766 CG1 VAL B 549 3.382 12.072 -9.964 1.00 0.00 C ATOM 767 CG2 VAL B 549 4.873 11.697 -7.987 1.00 0.00 C ATOM 0 H VAL B 549 1.958 12.193 -8.033 1.00 0.00 H new ATOM 0 HA VAL B 549 2.335 9.605 -8.981 1.00 0.00 H new ATOM 0 HB VAL B 549 4.526 10.319 -9.573 1.00 0.00 H new ATOM 0 HG11 VAL B 549 4.201 12.590 -10.462 1.00 0.00 H new ATOM 0 HG12 VAL B 549 2.763 11.572 -10.709 1.00 0.00 H new ATOM 0 HG13 VAL B 549 2.777 12.793 -9.414 1.00 0.00 H new ATOM 0 HG21 VAL B 549 5.672 12.221 -8.512 1.00 0.00 H new ATOM 0 HG22 VAL B 549 4.309 12.408 -7.383 1.00 0.00 H new ATOM 0 HG23 VAL B 549 5.304 10.933 -7.340 1.00 0.00 H new ATOM 777 N ALA B 550 3.416 10.127 -5.939 1.00 0.00 N ATOM 778 CA ALA B 550 3.945 9.483 -4.744 1.00 0.00 C ATOM 779 C ALA B 550 3.053 8.328 -4.301 1.00 0.00 C ATOM 780 O ALA B 550 3.534 7.231 -4.022 1.00 0.00 O ATOM 781 CB ALA B 550 4.095 10.498 -3.619 1.00 0.00 C ATOM 0 H ALA B 550 3.077 11.077 -5.791 1.00 0.00 H new ATOM 0 HA ALA B 550 4.927 9.077 -4.986 1.00 0.00 H new ATOM 0 HB1 ALA B 550 4.491 10.003 -2.733 1.00 0.00 H new ATOM 0 HB2 ALA B 550 4.779 11.287 -3.930 1.00 0.00 H new ATOM 0 HB3 ALA B 550 3.122 10.932 -3.388 1.00 0.00 H new ATOM 787 N VAL B 551 1.750 8.585 -4.239 1.00 0.00 N ATOM 788 CA VAL B 551 0.789 7.566 -3.830 1.00 0.00 C ATOM 789 C VAL B 551 0.845 6.356 -4.756 1.00 0.00 C ATOM 790 O VAL B 551 0.928 5.216 -4.300 1.00 0.00 O ATOM 791 CB VAL B 551 -0.647 8.122 -3.816 1.00 0.00 C ATOM 792 CG1 VAL B 551 -1.653 6.998 -3.621 1.00 0.00 C ATOM 793 CG2 VAL B 551 -0.797 9.178 -2.730 1.00 0.00 C ATOM 0 H VAL B 551 1.336 9.489 -4.466 1.00 0.00 H new ATOM 0 HA VAL B 551 1.062 7.260 -2.820 1.00 0.00 H new ATOM 0 HB VAL B 551 -0.847 8.592 -4.779 1.00 0.00 H new ATOM 0 HG11 VAL B 551 -2.662 7.410 -3.614 1.00 0.00 H new ATOM 0 HG12 VAL B 551 -1.560 6.281 -4.436 1.00 0.00 H new ATOM 0 HG13 VAL B 551 -1.459 6.497 -2.673 1.00 0.00 H new ATOM 0 HG21 VAL B 551 -1.818 9.561 -2.733 1.00 0.00 H new ATOM 0 HG22 VAL B 551 -0.579 8.734 -1.759 1.00 0.00 H new ATOM 0 HG23 VAL B 551 -0.102 9.996 -2.919 1.00 0.00 H new ATOM 803 N ILE B 552 0.798 6.613 -6.060 1.00 0.00 N ATOM 804 CA ILE B 552 0.845 5.545 -7.051 1.00 0.00 C ATOM 805 C ILE B 552 2.172 4.797 -6.992 1.00 0.00 C ATOM 806 O ILE B 552 2.239 3.604 -7.286 1.00 0.00 O ATOM 807 CB ILE B 552 0.638 6.090 -8.476 1.00 0.00 C ATOM 808 CG1 ILE B 552 0.693 4.950 -9.494 1.00 0.00 C ATOM 809 CG2 ILE B 552 1.686 7.145 -8.796 1.00 0.00 C ATOM 810 CD1 ILE B 552 0.413 5.392 -10.913 1.00 0.00 C ATOM 0 H ILE B 552 0.727 7.551 -6.454 1.00 0.00 H new ATOM 0 HA ILE B 552 0.033 4.858 -6.812 1.00 0.00 H new ATOM 0 HB ILE B 552 -0.346 6.555 -8.533 1.00 0.00 H new ATOM 0 HG12 ILE B 552 1.679 4.486 -9.455 1.00 0.00 H new ATOM 0 HG13 ILE B 552 -0.031 4.186 -9.211 1.00 0.00 H new ATOM 0 HG21 ILE B 552 1.527 7.521 -9.807 1.00 0.00 H new ATOM 0 HG22 ILE B 552 1.603 7.967 -8.086 1.00 0.00 H new ATOM 0 HG23 ILE B 552 2.680 6.704 -8.725 1.00 0.00 H new ATOM 0 HD11 ILE B 552 0.469 4.532 -11.580 1.00 0.00 H new ATOM 0 HD12 ILE B 552 -0.584 5.829 -10.968 1.00 0.00 H new ATOM 0 HD13 ILE B 552 1.152 6.134 -11.215 1.00 0.00 H new ATOM 822 N PHE B 553 3.228 5.506 -6.606 1.00 0.00 N ATOM 823 CA PHE B 553 4.554 4.910 -6.507 1.00 0.00 C ATOM 824 C PHE B 553 4.593 3.848 -5.414 1.00 0.00 C ATOM 825 O PHE B 553 4.990 2.708 -5.654 1.00 0.00 O ATOM 826 CB PHE B 553 5.602 5.989 -6.222 1.00 0.00 C ATOM 827 CG PHE B 553 7.002 5.574 -6.576 1.00 0.00 C ATOM 828 CD1 PHE B 553 7.617 4.528 -5.909 1.00 0.00 C ATOM 829 CD2 PHE B 553 7.701 6.230 -7.576 1.00 0.00 C ATOM 830 CE1 PHE B 553 8.906 4.145 -6.232 1.00 0.00 C ATOM 831 CE2 PHE B 553 8.989 5.851 -7.904 1.00 0.00 C ATOM 832 CZ PHE B 553 9.592 4.806 -7.231 1.00 0.00 C ATOM 0 H PHE B 553 3.190 6.494 -6.357 1.00 0.00 H new ATOM 0 HA PHE B 553 4.782 4.434 -7.461 1.00 0.00 H new ATOM 0 HB2 PHE B 553 5.346 6.889 -6.781 1.00 0.00 H new ATOM 0 HB3 PHE B 553 5.565 6.249 -5.164 1.00 0.00 H new ATOM 0 HD1 PHE B 553 7.084 4.006 -5.128 1.00 0.00 H new ATOM 0 HD2 PHE B 553 7.234 7.047 -8.106 1.00 0.00 H new ATOM 0 HE1 PHE B 553 9.376 3.329 -5.703 1.00 0.00 H new ATOM 0 HE2 PHE B 553 9.523 6.371 -8.685 1.00 0.00 H new ATOM 0 HZ PHE B 553 10.598 4.507 -7.486 1.00 0.00 H new ATOM 842 N GLY B 554 4.179 4.230 -4.210 1.00 0.00 N ATOM 843 CA GLY B 554 4.174 3.299 -3.096 1.00 0.00 C ATOM 844 C GLY B 554 3.052 2.285 -3.194 1.00 0.00 C ATOM 845 O GLY B 554 3.184 1.155 -2.722 1.00 0.00 O ATOM 0 H GLY B 554 3.847 5.168 -3.986 1.00 0.00 H new ATOM 0 HA2 GLY B 554 5.130 2.776 -3.059 1.00 0.00 H new ATOM 0 HA3 GLY B 554 4.078 3.854 -2.163 1.00 0.00 H new ATOM 849 N LEU B 555 1.944 2.687 -3.806 1.00 0.00 N ATOM 850 CA LEU B 555 0.792 1.805 -3.963 1.00 0.00 C ATOM 851 C LEU B 555 1.088 0.698 -4.970 1.00 0.00 C ATOM 852 O LEU B 555 0.796 -0.473 -4.725 1.00 0.00 O ATOM 853 CB LEU B 555 -0.431 2.606 -4.411 1.00 0.00 C ATOM 854 CG LEU B 555 -1.569 1.799 -5.037 1.00 0.00 C ATOM 855 CD1 LEU B 555 -2.110 0.781 -4.045 1.00 0.00 C ATOM 856 CD2 LEU B 555 -2.679 2.724 -5.515 1.00 0.00 C ATOM 0 H LEU B 555 1.818 3.619 -4.202 1.00 0.00 H new ATOM 0 HA LEU B 555 0.582 1.345 -2.997 1.00 0.00 H new ATOM 0 HB2 LEU B 555 -0.825 3.143 -3.548 1.00 0.00 H new ATOM 0 HB3 LEU B 555 -0.105 3.356 -5.132 1.00 0.00 H new ATOM 0 HG LEU B 555 -1.176 1.261 -5.900 1.00 0.00 H new ATOM 0 HD11 LEU B 555 -2.919 0.216 -4.508 1.00 0.00 H new ATOM 0 HD12 LEU B 555 -1.312 0.098 -3.752 1.00 0.00 H new ATOM 0 HD13 LEU B 555 -2.487 1.298 -3.163 1.00 0.00 H new ATOM 0 HD21 LEU B 555 -3.480 2.132 -5.958 1.00 0.00 H new ATOM 0 HD22 LEU B 555 -3.070 3.290 -4.670 1.00 0.00 H new ATOM 0 HD23 LEU B 555 -2.282 3.413 -6.261 1.00 0.00 H new ATOM 868 N LEU B 556 1.669 1.077 -6.103 1.00 0.00 N ATOM 869 CA LEU B 556 2.005 0.116 -7.148 1.00 0.00 C ATOM 870 C LEU B 556 3.087 -0.850 -6.673 1.00 0.00 C ATOM 871 O LEU B 556 2.893 -2.066 -6.676 1.00 0.00 O ATOM 872 CB LEU B 556 2.476 0.846 -8.407 1.00 0.00 C ATOM 873 CG LEU B 556 1.377 1.440 -9.289 1.00 0.00 C ATOM 874 CD1 LEU B 556 1.982 2.143 -10.495 1.00 0.00 C ATOM 875 CD2 LEU B 556 0.405 0.356 -9.733 1.00 0.00 C ATOM 0 H LEU B 556 1.917 2.042 -6.321 1.00 0.00 H new ATOM 0 HA LEU B 556 1.108 -0.458 -7.381 1.00 0.00 H new ATOM 0 HB2 LEU B 556 3.148 1.650 -8.107 1.00 0.00 H new ATOM 0 HB3 LEU B 556 3.061 0.150 -9.009 1.00 0.00 H new ATOM 0 HG LEU B 556 0.826 2.176 -8.704 1.00 0.00 H new ATOM 0 HD11 LEU B 556 1.185 2.559 -11.111 1.00 0.00 H new ATOM 0 HD12 LEU B 556 2.637 2.946 -10.157 1.00 0.00 H new ATOM 0 HD13 LEU B 556 2.558 1.428 -11.082 1.00 0.00 H new ATOM 0 HD21 LEU B 556 -0.370 0.797 -10.360 1.00 0.00 H new ATOM 0 HD22 LEU B 556 0.942 -0.404 -10.301 1.00 0.00 H new ATOM 0 HD23 LEU B 556 -0.054 -0.102 -8.857 1.00 0.00 H new ATOM 887 N LEU B 557 4.224 -0.300 -6.261 1.00 0.00 N ATOM 888 CA LEU B 557 5.335 -1.111 -5.779 1.00 0.00 C ATOM 889 C LEU B 557 4.967 -1.826 -4.483 1.00 0.00 C ATOM 890 O LEU B 557 5.526 -2.873 -4.158 1.00 0.00 O ATOM 891 CB LEU B 557 6.572 -0.238 -5.559 1.00 0.00 C ATOM 892 CG LEU B 557 7.382 0.105 -6.808 1.00 0.00 C ATOM 893 CD1 LEU B 557 8.575 0.978 -6.449 1.00 0.00 C ATOM 894 CD2 LEU B 557 7.841 -1.164 -7.512 1.00 0.00 C ATOM 0 H LEU B 557 4.400 0.705 -6.251 1.00 0.00 H new ATOM 0 HA LEU B 557 5.558 -1.863 -6.536 1.00 0.00 H new ATOM 0 HB2 LEU B 557 6.256 0.693 -5.088 1.00 0.00 H new ATOM 0 HB3 LEU B 557 7.229 -0.745 -4.852 1.00 0.00 H new ATOM 0 HG LEU B 557 6.741 0.664 -7.490 1.00 0.00 H new ATOM 0 HD11 LEU B 557 9.140 1.212 -7.352 1.00 0.00 H new ATOM 0 HD12 LEU B 557 8.224 1.903 -5.991 1.00 0.00 H new ATOM 0 HD13 LEU B 557 9.217 0.446 -5.747 1.00 0.00 H new ATOM 0 HD21 LEU B 557 8.416 -0.900 -8.399 1.00 0.00 H new ATOM 0 HD22 LEU B 557 8.464 -1.750 -6.836 1.00 0.00 H new ATOM 0 HD23 LEU B 557 6.971 -1.752 -7.805 1.00 0.00 H new ATOM 906 N GLY B 558 4.018 -1.255 -3.747 1.00 0.00 N ATOM 907 CA GLY B 558 3.589 -1.853 -2.497 1.00 0.00 C ATOM 908 C GLY B 558 2.914 -3.196 -2.698 1.00 0.00 C ATOM 909 O GLY B 558 3.416 -4.223 -2.243 1.00 0.00 O ATOM 0 H GLY B 558 3.539 -0.389 -3.995 1.00 0.00 H new ATOM 0 HA2 GLY B 558 4.452 -1.978 -1.843 1.00 0.00 H new ATOM 0 HA3 GLY B 558 2.901 -1.176 -1.991 1.00 0.00 H new ATOM 913 N ALA B 559 1.772 -3.187 -3.377 1.00 0.00 N ATOM 914 CA ALA B 559 1.029 -4.414 -3.636 1.00 0.00 C ATOM 915 C ALA B 559 1.812 -5.347 -4.555 1.00 0.00 C ATOM 916 O ALA B 559 1.851 -6.557 -4.338 1.00 0.00 O ATOM 917 CB ALA B 559 -0.328 -4.090 -4.244 1.00 0.00 C ATOM 0 H ALA B 559 1.341 -2.344 -3.757 1.00 0.00 H new ATOM 0 HA ALA B 559 0.878 -4.925 -2.685 1.00 0.00 H new ATOM 0 HB1 ALA B 559 -0.873 -5.015 -4.432 1.00 0.00 H new ATOM 0 HB2 ALA B 559 -0.897 -3.468 -3.553 1.00 0.00 H new ATOM 0 HB3 ALA B 559 -0.188 -3.554 -5.183 1.00 0.00 H new ATOM 923 N ALA B 560 2.434 -4.775 -5.580 1.00 0.00 N ATOM 924 CA ALA B 560 3.216 -5.555 -6.531 1.00 0.00 C ATOM 925 C ALA B 560 4.211 -6.459 -5.811 1.00 0.00 C ATOM 926 O ALA B 560 4.169 -7.682 -5.951 1.00 0.00 O ATOM 927 CB ALA B 560 3.943 -4.634 -7.499 1.00 0.00 C ATOM 0 H ALA B 560 2.412 -3.774 -5.773 1.00 0.00 H new ATOM 0 HA ALA B 560 2.530 -6.188 -7.095 1.00 0.00 H new ATOM 0 HB1 ALA B 560 4.523 -5.231 -8.203 1.00 0.00 H new ATOM 0 HB2 ALA B 560 3.216 -4.033 -8.045 1.00 0.00 H new ATOM 0 HB3 ALA B 560 4.612 -3.977 -6.943 1.00 0.00 H new ATOM 933 N LEU B 561 5.106 -5.851 -5.041 1.00 0.00 N ATOM 934 CA LEU B 561 6.113 -6.602 -4.299 1.00 0.00 C ATOM 935 C LEU B 561 5.458 -7.588 -3.337 1.00 0.00 C ATOM 936 O LEU B 561 5.923 -8.718 -3.178 1.00 0.00 O ATOM 937 CB LEU B 561 7.022 -5.645 -3.526 1.00 0.00 C ATOM 938 CG LEU B 561 8.401 -6.189 -3.146 1.00 0.00 C ATOM 939 CD1 LEU B 561 9.262 -5.089 -2.545 1.00 0.00 C ATOM 940 CD2 LEU B 561 8.266 -7.353 -2.177 1.00 0.00 C ATOM 0 H LEU B 561 5.155 -4.840 -4.914 1.00 0.00 H new ATOM 0 HA LEU B 561 6.712 -7.165 -5.014 1.00 0.00 H new ATOM 0 HB2 LEU B 561 7.161 -4.745 -4.124 1.00 0.00 H new ATOM 0 HB3 LEU B 561 6.508 -5.345 -2.613 1.00 0.00 H new ATOM 0 HG LEU B 561 8.890 -6.550 -4.051 1.00 0.00 H new ATOM 0 HD11 LEU B 561 10.239 -5.495 -2.281 1.00 0.00 H new ATOM 0 HD12 LEU B 561 9.387 -4.287 -3.272 1.00 0.00 H new ATOM 0 HD13 LEU B 561 8.778 -4.696 -1.651 1.00 0.00 H new ATOM 0 HD21 LEU B 561 9.256 -7.727 -1.918 1.00 0.00 H new ATOM 0 HD22 LEU B 561 7.757 -7.017 -1.274 1.00 0.00 H new ATOM 0 HD23 LEU B 561 7.688 -8.150 -2.644 1.00 0.00 H new ATOM 952 N LEU B 562 4.376 -7.155 -2.700 1.00 0.00 N ATOM 953 CA LEU B 562 3.654 -8.000 -1.755 1.00 0.00 C ATOM 954 C LEU B 562 3.192 -9.291 -2.423 1.00 0.00 C ATOM 955 O LEU B 562 3.573 -10.387 -2.011 1.00 0.00 O ATOM 956 CB LEU B 562 2.452 -7.249 -1.183 1.00 0.00 C ATOM 957 CG LEU B 562 1.922 -7.752 0.160 1.00 0.00 C ATOM 958 CD1 LEU B 562 0.779 -6.875 0.646 1.00 0.00 C ATOM 959 CD2 LEU B 562 1.473 -9.202 0.047 1.00 0.00 C ATOM 0 H LEU B 562 3.979 -6.223 -2.821 1.00 0.00 H new ATOM 0 HA LEU B 562 4.333 -8.256 -0.942 1.00 0.00 H new ATOM 0 HB2 LEU B 562 2.724 -6.199 -1.073 1.00 0.00 H new ATOM 0 HB3 LEU B 562 1.641 -7.294 -1.910 1.00 0.00 H new ATOM 0 HG LEU B 562 2.730 -7.698 0.890 1.00 0.00 H new ATOM 0 HD11 LEU B 562 0.415 -7.249 1.603 1.00 0.00 H new ATOM 0 HD12 LEU B 562 1.132 -5.851 0.767 1.00 0.00 H new ATOM 0 HD13 LEU B 562 -0.031 -6.896 -0.083 1.00 0.00 H new ATOM 0 HD21 LEU B 562 1.099 -9.543 1.012 1.00 0.00 H new ATOM 0 HD22 LEU B 562 0.681 -9.281 -0.698 1.00 0.00 H new ATOM 0 HD23 LEU B 562 2.317 -9.822 -0.255 1.00 0.00 H new