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= -1.05 USER MOD Single : B 544 THR OG1 : rot 180:sc= -1.05 USER MOD ----------------------------------------------------------------- ATOM 98 N LEU A 543 11.463 16.408 -3.665 1.00 0.00 N ATOM 99 CA LEU A 543 11.061 15.779 -2.412 1.00 0.00 C ATOM 100 C LEU A 543 10.329 16.772 -1.515 1.00 0.00 C ATOM 101 O LEU A 543 10.865 17.825 -1.168 1.00 0.00 O ATOM 102 CB LEU A 543 12.285 15.221 -1.684 1.00 0.00 C ATOM 103 CG LEU A 543 12.003 14.435 -0.402 1.00 0.00 C ATOM 104 CD1 LEU A 543 11.707 15.381 0.751 1.00 0.00 C ATOM 105 CD2 LEU A 543 10.846 13.469 -0.614 1.00 0.00 C ATOM 0 HA LEU A 543 10.381 14.960 -2.646 1.00 0.00 H new ATOM 0 HB2 LEU A 543 12.828 14.573 -2.372 1.00 0.00 H new ATOM 0 HB3 LEU A 543 12.947 16.051 -1.439 1.00 0.00 H new ATOM 0 HG LEU A 543 12.892 13.857 -0.149 1.00 0.00 H new ATOM 0 HD11 LEU A 543 11.509 14.803 1.654 1.00 0.00 H new ATOM 0 HD12 LEU A 543 12.566 16.032 0.917 1.00 0.00 H new ATOM 0 HD13 LEU A 543 10.834 15.987 0.509 1.00 0.00 H new ATOM 0 HD21 LEU A 543 10.659 12.918 0.308 1.00 0.00 H new ATOM 0 HD22 LEU A 543 9.952 14.027 -0.891 1.00 0.00 H new ATOM 0 HD23 LEU A 543 11.098 12.769 -1.411 1.00 0.00 H new ATOM 117 N THR A 544 9.101 16.429 -1.138 1.00 0.00 N ATOM 118 CA THR A 544 8.296 17.289 -0.280 1.00 0.00 C ATOM 119 C THR A 544 7.495 16.468 0.723 1.00 0.00 C ATOM 120 O THR A 544 7.275 15.273 0.529 1.00 0.00 O ATOM 121 CB THR A 544 7.329 18.158 -1.105 1.00 0.00 C ATOM 122 OG1 THR A 544 6.031 17.553 -1.136 1.00 0.00 O ATOM 123 CG2 THR A 544 7.843 18.341 -2.525 1.00 0.00 C ATOM 0 H THR A 544 8.642 15.561 -1.414 1.00 0.00 H new ATOM 0 HA THR A 544 8.988 17.938 0.256 1.00 0.00 H new ATOM 0 HB THR A 544 7.261 19.137 -0.631 1.00 0.00 H new ATOM 0 HG1 THR A 544 5.713 17.509 -2.062 1.00 0.00 H new ATOM 0 HG21 THR A 544 7.143 18.958 -3.089 1.00 0.00 H new ATOM 0 HG22 THR A 544 8.818 18.829 -2.499 1.00 0.00 H new ATOM 0 HG23 THR A 544 7.937 17.367 -3.006 1.00 0.00 H new ATOM 131 N GLY A 545 7.058 17.117 1.798 1.00 0.00 N ATOM 132 CA GLY A 545 6.283 16.432 2.816 1.00 0.00 C ATOM 133 C GLY A 545 5.117 15.657 2.234 1.00 0.00 C ATOM 134 O GLY A 545 4.881 14.508 2.602 1.00 0.00 O ATOM 0 H GLY A 545 7.227 18.106 1.982 1.00 0.00 H new ATOM 0 HA2 GLY A 545 6.932 15.749 3.364 1.00 0.00 H new ATOM 0 HA3 GLY A 545 5.908 17.161 3.535 1.00 0.00 H new ATOM 138 N GLY A 546 4.384 16.290 1.323 1.00 0.00 N ATOM 139 CA GLY A 546 3.244 15.639 0.705 1.00 0.00 C ATOM 140 C GLY A 546 3.636 14.399 -0.073 1.00 0.00 C ATOM 141 O GLY A 546 2.868 13.442 -0.155 1.00 0.00 O ATOM 0 H GLY A 546 4.560 17.242 1.002 1.00 0.00 H new ATOM 0 HA2 GLY A 546 2.523 15.368 1.476 1.00 0.00 H new ATOM 0 HA3 GLY A 546 2.747 16.342 0.036 1.00 0.00 H new ATOM 145 N GLU A 547 4.836 14.416 -0.647 1.00 0.00 N ATOM 146 CA GLU A 547 5.326 13.285 -1.425 1.00 0.00 C ATOM 147 C GLU A 547 5.587 12.080 -0.526 1.00 0.00 C ATOM 148 O GLU A 547 5.257 10.947 -0.879 1.00 0.00 O ATOM 149 CB GLU A 547 6.608 13.667 -2.169 1.00 0.00 C ATOM 150 CG GLU A 547 6.557 15.049 -2.800 1.00 0.00 C ATOM 151 CD GLU A 547 7.380 15.142 -4.070 1.00 0.00 C ATOM 152 OE1 GLU A 547 8.592 15.425 -3.970 1.00 0.00 O ATOM 153 OE2 GLU A 547 6.813 14.932 -5.162 1.00 0.00 O ATOM 0 H GLU A 547 5.485 15.200 -0.587 1.00 0.00 H new ATOM 0 HA GLU A 547 4.559 13.016 -2.151 1.00 0.00 H new ATOM 0 HB2 GLU A 547 7.447 13.625 -1.475 1.00 0.00 H new ATOM 0 HB3 GLU A 547 6.800 12.928 -2.947 1.00 0.00 H new ATOM 0 HG2 GLU A 547 5.521 15.304 -3.024 1.00 0.00 H new ATOM 0 HG3 GLU A 547 6.919 15.785 -2.082 1.00 0.00 H new ATOM 160 N ILE A 548 6.182 12.332 0.635 1.00 0.00 N ATOM 161 CA ILE A 548 6.488 11.269 1.583 1.00 0.00 C ATOM 162 C ILE A 548 5.212 10.639 2.133 1.00 0.00 C ATOM 163 O ILE A 548 5.019 9.427 2.048 1.00 0.00 O ATOM 164 CB ILE A 548 7.337 11.789 2.758 1.00 0.00 C ATOM 165 CG1 ILE A 548 8.754 12.119 2.286 1.00 0.00 C ATOM 166 CG2 ILE A 548 7.372 10.763 3.881 1.00 0.00 C ATOM 167 CD1 ILE A 548 9.000 13.600 2.102 1.00 0.00 C ATOM 0 H ILE A 548 6.462 13.264 0.941 1.00 0.00 H new ATOM 0 HA ILE A 548 7.058 10.516 1.039 1.00 0.00 H new ATOM 0 HB ILE A 548 6.880 12.702 3.140 1.00 0.00 H new ATOM 0 HG12 ILE A 548 9.470 11.727 3.009 1.00 0.00 H new ATOM 0 HG13 ILE A 548 8.942 11.608 1.342 1.00 0.00 H new ATOM 0 HG21 ILE A 548 7.976 11.145 4.704 1.00 0.00 H new ATOM 0 HG22 ILE A 548 6.358 10.573 4.232 1.00 0.00 H new ATOM 0 HG23 ILE A 548 7.808 9.834 3.512 1.00 0.00 H new ATOM 0 HD11 ILE A 548 10.025 13.760 1.766 1.00 0.00 H new ATOM 0 HD12 ILE A 548 8.309 13.994 1.357 1.00 0.00 H new ATOM 0 HD13 ILE A 548 8.844 14.115 3.050 1.00 0.00 H new ATOM 179 N VAL A 549 4.341 11.473 2.694 1.00 0.00 N ATOM 180 CA VAL A 549 3.082 10.999 3.255 1.00 0.00 C ATOM 181 C VAL A 549 2.236 10.302 2.194 1.00 0.00 C ATOM 182 O VAL A 549 1.476 9.382 2.497 1.00 0.00 O ATOM 183 CB VAL A 549 2.268 12.155 3.866 1.00 0.00 C ATOM 184 CG1 VAL A 549 3.164 13.053 4.705 1.00 0.00 C ATOM 185 CG2 VAL A 549 1.574 12.954 2.772 1.00 0.00 C ATOM 0 H VAL A 549 4.485 12.480 2.772 1.00 0.00 H new ATOM 0 HA VAL A 549 3.334 10.287 4.041 1.00 0.00 H new ATOM 0 HB VAL A 549 1.503 11.733 4.518 1.00 0.00 H new ATOM 0 HG11 VAL A 549 2.572 13.864 5.129 1.00 0.00 H new ATOM 0 HG12 VAL A 549 3.611 12.471 5.511 1.00 0.00 H new ATOM 0 HG13 VAL A 549 3.952 13.469 4.078 1.00 0.00 H new ATOM 0 HG21 VAL A 549 1.003 13.767 3.221 1.00 0.00 H new ATOM 0 HG22 VAL A 549 2.321 13.367 2.094 1.00 0.00 H new ATOM 0 HG23 VAL A 549 0.900 12.302 2.217 1.00 0.00 H new ATOM 195 N ALA A 550 2.374 10.746 0.950 1.00 0.00 N ATOM 196 CA ALA A 550 1.625 10.164 -0.157 1.00 0.00 C ATOM 197 C ALA A 550 2.076 8.734 -0.433 1.00 0.00 C ATOM 198 O ALA A 550 1.255 7.824 -0.545 1.00 0.00 O ATOM 199 CB ALA A 550 1.778 11.019 -1.406 1.00 0.00 C ATOM 0 H ALA A 550 2.998 11.507 0.683 1.00 0.00 H new ATOM 0 HA ALA A 550 0.572 10.137 0.124 1.00 0.00 H new ATOM 0 HB1 ALA A 550 1.213 10.572 -2.224 1.00 0.00 H new ATOM 0 HB2 ALA A 550 1.399 12.022 -1.209 1.00 0.00 H new ATOM 0 HB3 ALA A 550 2.831 11.076 -1.681 1.00 0.00 H new ATOM 205 N VAL A 551 3.386 8.542 -0.542 1.00 0.00 N ATOM 206 CA VAL A 551 3.947 7.223 -0.805 1.00 0.00 C ATOM 207 C VAL A 551 3.547 6.230 0.280 1.00 0.00 C ATOM 208 O VAL A 551 3.093 5.123 -0.013 1.00 0.00 O ATOM 209 CB VAL A 551 5.484 7.274 -0.898 1.00 0.00 C ATOM 210 CG1 VAL A 551 6.066 5.869 -0.887 1.00 0.00 C ATOM 211 CG2 VAL A 551 5.916 8.030 -2.145 1.00 0.00 C ATOM 0 H VAL A 551 4.080 9.284 -0.452 1.00 0.00 H new ATOM 0 HA VAL A 551 3.544 6.893 -1.762 1.00 0.00 H new ATOM 0 HB VAL A 551 5.867 7.806 -0.027 1.00 0.00 H new ATOM 0 HG11 VAL A 551 7.153 5.925 -0.953 1.00 0.00 H new ATOM 0 HG12 VAL A 551 5.784 5.366 0.038 1.00 0.00 H new ATOM 0 HG13 VAL A 551 5.679 5.308 -1.738 1.00 0.00 H new ATOM 0 HG21 VAL A 551 7.005 8.057 -2.195 1.00 0.00 H new ATOM 0 HG22 VAL A 551 5.524 7.527 -3.029 1.00 0.00 H new ATOM 0 HG23 VAL A 551 5.529 9.048 -2.105 1.00 0.00 H new ATOM 221 N ILE A 552 3.719 6.632 1.535 1.00 0.00 N ATOM 222 CA ILE A 552 3.374 5.778 2.665 1.00 0.00 C ATOM 223 C ILE A 552 1.875 5.501 2.707 1.00 0.00 C ATOM 224 O ILE A 552 1.441 4.451 3.181 1.00 0.00 O ATOM 225 CB ILE A 552 3.805 6.411 4.001 1.00 0.00 C ATOM 226 CG1 ILE A 552 3.528 5.449 5.158 1.00 0.00 C ATOM 227 CG2 ILE A 552 3.085 7.732 4.219 1.00 0.00 C ATOM 228 CD1 ILE A 552 3.946 5.991 6.507 1.00 0.00 C ATOM 0 H ILE A 552 4.095 7.544 1.795 1.00 0.00 H new ATOM 0 HA ILE A 552 3.911 4.840 2.527 1.00 0.00 H new ATOM 0 HB ILE A 552 4.877 6.607 3.964 1.00 0.00 H new ATOM 0 HG12 ILE A 552 2.463 5.219 5.182 1.00 0.00 H new ATOM 0 HG13 ILE A 552 4.052 4.511 4.974 1.00 0.00 H new ATOM 0 HG21 ILE A 552 3.401 8.166 5.168 1.00 0.00 H new ATOM 0 HG22 ILE A 552 3.328 8.417 3.407 1.00 0.00 H new ATOM 0 HG23 ILE A 552 2.009 7.561 4.239 1.00 0.00 H new ATOM 0 HD11 ILE A 552 3.720 5.257 7.280 1.00 0.00 H new ATOM 0 HD12 ILE A 552 5.017 6.194 6.501 1.00 0.00 H new ATOM 0 HD13 ILE A 552 3.403 6.913 6.713 1.00 0.00 H new ATOM 240 N PHE A 553 1.089 6.448 2.206 1.00 0.00 N ATOM 241 CA PHE A 553 -0.362 6.307 2.186 1.00 0.00 C ATOM 242 C PHE A 553 -0.785 5.176 1.253 1.00 0.00 C ATOM 243 O PHE A 553 -1.505 4.263 1.651 1.00 0.00 O ATOM 244 CB PHE A 553 -1.018 7.617 1.749 1.00 0.00 C ATOM 245 CG PHE A 553 -2.463 7.727 2.145 1.00 0.00 C ATOM 246 CD1 PHE A 553 -3.402 6.843 1.639 1.00 0.00 C ATOM 247 CD2 PHE A 553 -2.881 8.714 3.022 1.00 0.00 C ATOM 248 CE1 PHE A 553 -4.732 6.941 2.002 1.00 0.00 C ATOM 249 CE2 PHE A 553 -4.210 8.816 3.390 1.00 0.00 C ATOM 250 CZ PHE A 553 -5.137 7.929 2.878 1.00 0.00 C ATOM 0 H PHE A 553 1.433 7.322 1.808 1.00 0.00 H new ATOM 0 HA PHE A 553 -0.692 6.064 3.196 1.00 0.00 H new ATOM 0 HB2 PHE A 553 -0.467 8.452 2.182 1.00 0.00 H new ATOM 0 HB3 PHE A 553 -0.939 7.710 0.666 1.00 0.00 H new ATOM 0 HD1 PHE A 553 -3.091 6.069 0.953 1.00 0.00 H new ATOM 0 HD2 PHE A 553 -2.161 9.412 3.423 1.00 0.00 H new ATOM 0 HE1 PHE A 553 -5.454 6.245 1.601 1.00 0.00 H new ATOM 0 HE2 PHE A 553 -4.523 9.588 4.077 1.00 0.00 H new ATOM 0 HZ PHE A 553 -6.176 8.008 3.162 1.00 0.00 H new ATOM 260 N GLY A 554 -0.330 5.246 0.005 1.00 0.00 N ATOM 261 CA GLY A 554 -0.672 4.224 -0.968 1.00 0.00 C ATOM 262 C GLY A 554 0.074 2.927 -0.731 1.00 0.00 C ATOM 263 O GLY A 554 -0.399 1.853 -1.104 1.00 0.00 O ATOM 0 H GLY A 554 0.269 5.992 -0.349 1.00 0.00 H new ATOM 0 HA2 GLY A 554 -1.745 4.035 -0.930 1.00 0.00 H new ATOM 0 HA3 GLY A 554 -0.448 4.591 -1.970 1.00 0.00 H new ATOM 267 N LEU A 555 1.245 3.024 -0.109 1.00 0.00 N ATOM 268 CA LEU A 555 2.060 1.848 0.177 1.00 0.00 C ATOM 269 C LEU A 555 1.407 0.981 1.249 1.00 0.00 C ATOM 270 O LEU A 555 1.231 -0.225 1.067 1.00 0.00 O ATOM 271 CB LEU A 555 3.459 2.269 0.627 1.00 0.00 C ATOM 272 CG LEU A 555 4.282 1.202 1.351 1.00 0.00 C ATOM 273 CD1 LEU A 555 4.456 -0.025 0.469 1.00 0.00 C ATOM 274 CD2 LEU A 555 5.635 1.762 1.762 1.00 0.00 C ATOM 0 H LEU A 555 1.651 3.905 0.207 1.00 0.00 H new ATOM 0 HA LEU A 555 2.142 1.262 -0.738 1.00 0.00 H new ATOM 0 HB2 LEU A 555 4.017 2.597 -0.250 1.00 0.00 H new ATOM 0 HB3 LEU A 555 3.363 3.133 1.285 1.00 0.00 H new ATOM 0 HG LEU A 555 3.746 0.904 2.252 1.00 0.00 H new ATOM 0 HD11 LEU A 555 5.044 -0.774 1.000 1.00 0.00 H new ATOM 0 HD12 LEU A 555 3.478 -0.438 0.224 1.00 0.00 H new ATOM 0 HD13 LEU A 555 4.971 0.257 -0.449 1.00 0.00 H new ATOM 0 HD21 LEU A 555 6.208 0.990 2.276 1.00 0.00 H new ATOM 0 HD22 LEU A 555 6.179 2.087 0.875 1.00 0.00 H new ATOM 0 HD23 LEU A 555 5.490 2.611 2.430 1.00 0.00 H new ATOM 286 N LEU A 556 1.049 1.602 2.368 1.00 0.00 N ATOM 287 CA LEU A 556 0.414 0.888 3.469 1.00 0.00 C ATOM 288 C LEU A 556 -0.977 0.402 3.074 1.00 0.00 C ATOM 289 O LEU A 556 -1.271 -0.793 3.139 1.00 0.00 O ATOM 290 CB LEU A 556 0.319 1.791 4.700 1.00 0.00 C ATOM 291 CG LEU A 556 1.566 1.854 5.584 1.00 0.00 C ATOM 292 CD1 LEU A 556 2.818 1.989 4.731 1.00 0.00 C ATOM 293 CD2 LEU A 556 1.463 3.008 6.570 1.00 0.00 C ATOM 0 H LEU A 556 1.188 2.598 2.536 1.00 0.00 H new ATOM 0 HA LEU A 556 1.028 0.020 3.708 1.00 0.00 H new ATOM 0 HB2 LEU A 556 0.083 2.802 4.367 1.00 0.00 H new ATOM 0 HB3 LEU A 556 -0.518 1.452 5.311 1.00 0.00 H new ATOM 0 HG LEU A 556 1.635 0.925 6.150 1.00 0.00 H new ATOM 0 HD11 LEU A 556 3.695 2.032 5.377 1.00 0.00 H new ATOM 0 HD12 LEU A 556 2.899 1.130 4.066 1.00 0.00 H new ATOM 0 HD13 LEU A 556 2.758 2.902 4.139 1.00 0.00 H new ATOM 0 HD21 LEU A 556 2.359 3.037 7.191 1.00 0.00 H new ATOM 0 HD22 LEU A 556 1.369 3.946 6.023 1.00 0.00 H new ATOM 0 HD23 LEU A 556 0.587 2.868 7.204 1.00 0.00 H new ATOM 305 N LEU A 557 -1.828 1.334 2.660 1.00 0.00 N ATOM 306 CA LEU A 557 -3.188 1.001 2.251 1.00 0.00 C ATOM 307 C LEU A 557 -3.181 0.074 1.039 1.00 0.00 C ATOM 308 O LEU A 557 -4.106 -0.712 0.840 1.00 0.00 O ATOM 309 CB LEU A 557 -3.971 2.274 1.927 1.00 0.00 C ATOM 310 CG LEU A 557 -4.532 3.040 3.126 1.00 0.00 C ATOM 311 CD1 LEU A 557 -3.448 3.891 3.770 1.00 0.00 C ATOM 312 CD2 LEU A 557 -5.711 3.904 2.703 1.00 0.00 C ATOM 0 H LEU A 557 -1.600 2.326 2.599 1.00 0.00 H new ATOM 0 HA LEU A 557 -3.673 0.484 3.079 1.00 0.00 H new ATOM 0 HB2 LEU A 557 -3.320 2.944 1.365 1.00 0.00 H new ATOM 0 HB3 LEU A 557 -4.800 2.010 1.270 1.00 0.00 H new ATOM 0 HG LEU A 557 -4.883 2.317 3.863 1.00 0.00 H new ATOM 0 HD11 LEU A 557 -3.865 4.429 4.621 1.00 0.00 H new ATOM 0 HD12 LEU A 557 -2.635 3.249 4.109 1.00 0.00 H new ATOM 0 HD13 LEU A 557 -3.066 4.606 3.041 1.00 0.00 H new ATOM 0 HD21 LEU A 557 -6.097 4.442 3.569 1.00 0.00 H new ATOM 0 HD22 LEU A 557 -5.386 4.619 1.947 1.00 0.00 H new ATOM 0 HD23 LEU A 557 -6.496 3.271 2.289 1.00 0.00 H new ATOM 324 N GLY A 558 -2.127 0.169 0.234 1.00 0.00 N ATOM 325 CA GLY A 558 -2.017 -0.668 -0.946 1.00 0.00 C ATOM 326 C GLY A 558 -1.877 -2.138 -0.604 1.00 0.00 C ATOM 327 O GLY A 558 -2.728 -2.950 -0.967 1.00 0.00 O ATOM 0 H GLY A 558 -1.347 0.811 0.378 1.00 0.00 H new ATOM 0 HA2 GLY A 558 -2.898 -0.526 -1.572 1.00 0.00 H new ATOM 0 HA3 GLY A 558 -1.155 -0.351 -1.533 1.00 0.00 H new ATOM 331 N ALA A 559 -0.799 -2.481 0.095 1.00 0.00 N ATOM 332 CA ALA A 559 -0.552 -3.863 0.486 1.00 0.00 C ATOM 333 C ALA A 559 -1.586 -4.341 1.499 1.00 0.00 C ATOM 334 O ALA A 559 -2.071 -5.469 1.420 1.00 0.00 O ATOM 335 CB ALA A 559 0.853 -4.006 1.055 1.00 0.00 C ATOM 0 H ALA A 559 -0.084 -1.821 0.401 1.00 0.00 H new ATOM 0 HA ALA A 559 -0.639 -4.488 -0.403 1.00 0.00 H new ATOM 0 HB1 ALA A 559 1.025 -5.043 1.343 1.00 0.00 H new ATOM 0 HB2 ALA A 559 1.583 -3.713 0.300 1.00 0.00 H new ATOM 0 HB3 ALA A 559 0.958 -3.364 1.930 1.00 0.00 H new ATOM 341 N ALA A 560 -1.920 -3.476 2.451 1.00 0.00 N ATOM 342 CA ALA A 560 -2.899 -3.810 3.478 1.00 0.00 C ATOM 343 C ALA A 560 -4.184 -4.346 2.859 1.00 0.00 C ATOM 344 O ALA A 560 -4.591 -5.477 3.129 1.00 0.00 O ATOM 345 CB ALA A 560 -3.195 -2.592 4.341 1.00 0.00 C ATOM 0 H ALA A 560 -1.527 -2.538 2.532 1.00 0.00 H new ATOM 0 HA ALA A 560 -2.476 -4.593 4.107 1.00 0.00 H new ATOM 0 HB1 ALA A 560 -3.928 -2.856 5.104 1.00 0.00 H new ATOM 0 HB2 ALA A 560 -2.277 -2.255 4.821 1.00 0.00 H new ATOM 0 HB3 ALA A 560 -3.593 -1.792 3.717 1.00 0.00 H new ATOM 351 N LEU A 561 -4.819 -3.529 2.026 1.00 0.00 N ATOM 352 CA LEU A 561 -6.062 -3.922 1.368 1.00 0.00 C ATOM 353 C LEU A 561 -5.849 -5.156 0.497 1.00 0.00 C ATOM 354 O LEU A 561 -6.703 -6.041 0.436 1.00 0.00 O ATOM 355 CB LEU A 561 -6.597 -2.769 0.517 1.00 0.00 C ATOM 356 CG LEU A 561 -7.932 -3.018 -0.186 1.00 0.00 C ATOM 357 CD1 LEU A 561 -8.998 -3.420 0.820 1.00 0.00 C ATOM 358 CD2 LEU A 561 -8.365 -1.782 -0.961 1.00 0.00 C ATOM 0 H LEU A 561 -4.495 -2.591 1.790 1.00 0.00 H new ATOM 0 HA LEU A 561 -6.793 -4.166 2.139 1.00 0.00 H new ATOM 0 HB2 LEU A 561 -6.703 -1.892 1.155 1.00 0.00 H new ATOM 0 HB3 LEU A 561 -5.851 -2.525 -0.239 1.00 0.00 H new ATOM 0 HG LEU A 561 -7.802 -3.838 -0.892 1.00 0.00 H new ATOM 0 HD11 LEU A 561 -9.941 -3.593 0.301 1.00 0.00 H new ATOM 0 HD12 LEU A 561 -8.691 -4.333 1.330 1.00 0.00 H new ATOM 0 HD13 LEU A 561 -9.127 -2.622 1.551 1.00 0.00 H new ATOM 0 HD21 LEU A 561 -9.317 -1.977 -1.455 1.00 0.00 H new ATOM 0 HD22 LEU A 561 -8.478 -0.943 -0.274 1.00 0.00 H new ATOM 0 HD23 LEU A 561 -7.611 -1.539 -1.710 1.00 0.00 H new ATOM 370 N LEU A 562 -4.704 -5.209 -0.176 1.00 0.00 N ATOM 371 CA LEU A 562 -4.377 -6.335 -1.042 1.00 0.00 C ATOM 372 C LEU A 562 -4.389 -7.646 -0.260 1.00 0.00 C ATOM 373 O LEU A 562 -5.147 -8.563 -0.579 1.00 0.00 O ATOM 374 CB LEU A 562 -3.006 -6.128 -1.687 1.00 0.00 C ATOM 375 CG LEU A 562 -2.749 -6.898 -2.983 1.00 0.00 C ATOM 376 CD1 LEU A 562 -1.393 -6.530 -3.564 1.00 0.00 C ATOM 377 CD2 LEU A 562 -2.838 -8.397 -2.738 1.00 0.00 C ATOM 0 H LEU A 562 -3.987 -4.485 -0.138 1.00 0.00 H new ATOM 0 HA LEU A 562 -5.135 -6.391 -1.823 1.00 0.00 H new ATOM 0 HB2 LEU A 562 -2.879 -5.064 -1.889 1.00 0.00 H new ATOM 0 HB3 LEU A 562 -2.241 -6.409 -0.964 1.00 0.00 H new ATOM 0 HG LEU A 562 -3.517 -6.621 -3.706 1.00 0.00 H new ATOM 0 HD11 LEU A 562 -1.228 -7.088 -4.486 1.00 0.00 H new ATOM 0 HD12 LEU A 562 -1.366 -5.461 -3.777 1.00 0.00 H new ATOM 0 HD13 LEU A 562 -0.611 -6.776 -2.846 1.00 0.00 H new ATOM 0 HD21 LEU A 562 -2.653 -8.930 -3.671 1.00 0.00 H new ATOM 0 HD22 LEU A 562 -2.093 -8.690 -1.999 1.00 0.00 H new ATOM 0 HD23 LEU A 562 -3.833 -8.647 -2.369 1.00 0.00 H new ATOM 389 N LEU A 563 -3.549 -7.725 0.764 1.00 0.00 N ATOM 390 CA LEU A 563 -3.465 -8.922 1.594 1.00 0.00 C ATOM 391 C LEU A 563 -4.841 -9.319 2.118 1.00 0.00 C ATOM 392 O LEU A 563 -5.164 -10.503 2.209 1.00 0.00 O ATOM 393 CB LEU A 563 -2.508 -8.690 2.765 1.00 0.00 C ATOM 394 CG LEU A 563 -2.065 -9.939 3.528 1.00 0.00 C ATOM 395 CD1 LEU A 563 -0.784 -10.502 2.930 1.00 0.00 C ATOM 396 CD2 LEU A 563 -1.871 -9.621 5.003 1.00 0.00 C ATOM 0 H LEU A 563 -2.916 -6.975 1.041 1.00 0.00 H new ATOM 0 HA LEU A 563 -3.083 -9.735 0.977 1.00 0.00 H new ATOM 0 HB2 LEU A 563 -1.619 -8.185 2.387 1.00 0.00 H new ATOM 0 HB3 LEU A 563 -2.986 -8.009 3.469 1.00 0.00 H new ATOM 0 HG LEU A 563 -2.847 -10.693 3.439 1.00 0.00 H new ATOM 0 HD11 LEU A 563 -0.483 -11.390 3.485 1.00 0.00 H new ATOM 0 HD12 LEU A 563 -0.955 -10.767 1.887 1.00 0.00 H new ATOM 0 HD13 LEU A 563 0.005 -9.753 2.989 1.00 0.00 H new ATOM 0 HD21 LEU A 563 -1.556 -10.521 5.531 1.00 0.00 H new ATOM 0 HD22 LEU A 563 -1.108 -8.850 5.112 1.00 0.00 H new ATOM 0 HD23 LEU A 563 -2.810 -9.263 5.425 1.00 0.00 H new ATOM 408 N GLY A 564 -5.649 -8.320 2.461 1.00 0.00 N ATOM 409 CA GLY A 564 -6.981 -8.586 2.970 1.00 0.00 C ATOM 410 C GLY A 564 -7.835 -9.360 1.985 1.00 0.00 C ATOM 411 O GLY A 564 -8.449 -10.365 2.343 1.00 0.00 O ATOM 0 H GLY A 564 -5.405 -7.332 2.395 1.00 0.00 H new ATOM 0 HA2 GLY A 564 -6.905 -9.148 3.901 1.00 0.00 H new ATOM 0 HA3 GLY A 564 -7.471 -7.642 3.207 1.00 0.00 H new ATOM 673 N GLY B 542 -4.092 20.754 -0.480 1.00 0.00 N ATOM 674 CA GLY B 542 -4.122 19.384 -0.002 1.00 0.00 C ATOM 675 C GLY B 542 -3.987 18.375 -1.126 1.00 0.00 C ATOM 676 O GLY B 542 -4.299 17.196 -0.952 1.00 0.00 O ATOM 0 HA2 GLY B 542 -3.315 19.235 0.715 1.00 0.00 H new ATOM 0 HA3 GLY B 542 -5.057 19.208 0.530 1.00 0.00 H new ATOM 680 N LEU B 543 -3.524 18.838 -2.281 1.00 0.00 N ATOM 681 CA LEU B 543 -3.351 17.968 -3.439 1.00 0.00 C ATOM 682 C LEU B 543 -2.357 18.570 -4.429 1.00 0.00 C ATOM 683 O LEU B 543 -2.545 19.687 -4.913 1.00 0.00 O ATOM 684 CB LEU B 543 -4.694 17.731 -4.130 1.00 0.00 C ATOM 685 CG LEU B 543 -4.685 16.738 -5.293 1.00 0.00 C ATOM 686 CD1 LEU B 543 -4.123 17.390 -6.547 1.00 0.00 C ATOM 687 CD2 LEU B 543 -3.884 15.497 -4.929 1.00 0.00 C ATOM 0 H LEU B 543 -3.262 19.811 -2.441 1.00 0.00 H new ATOM 0 HA LEU B 543 -2.956 17.014 -3.089 1.00 0.00 H new ATOM 0 HB2 LEU B 543 -5.407 17.379 -3.384 1.00 0.00 H new ATOM 0 HB3 LEU B 543 -5.064 18.688 -4.498 1.00 0.00 H new ATOM 0 HG LEU B 543 -5.712 16.435 -5.495 1.00 0.00 H new ATOM 0 HD11 LEU B 543 -4.124 16.669 -7.364 1.00 0.00 H new ATOM 0 HD12 LEU B 543 -4.739 18.247 -6.819 1.00 0.00 H new ATOM 0 HD13 LEU B 543 -3.102 17.722 -6.358 1.00 0.00 H new ATOM 0 HD21 LEU B 543 -3.889 14.802 -5.768 1.00 0.00 H new ATOM 0 HD22 LEU B 543 -2.857 15.781 -4.699 1.00 0.00 H new ATOM 0 HD23 LEU B 543 -4.331 15.018 -4.058 1.00 0.00 H new ATOM 699 N THR B 544 -1.299 17.822 -4.726 1.00 0.00 N ATOM 700 CA THR B 544 -0.277 18.281 -5.659 1.00 0.00 C ATOM 701 C THR B 544 0.223 17.137 -6.534 1.00 0.00 C ATOM 702 O THR B 544 0.066 15.966 -6.190 1.00 0.00 O ATOM 703 CB THR B 544 0.920 18.905 -4.917 1.00 0.00 C ATOM 704 OG1 THR B 544 1.969 17.940 -4.780 1.00 0.00 O ATOM 705 CG2 THR B 544 0.503 19.407 -3.542 1.00 0.00 C ATOM 0 H THR B 544 -1.127 16.896 -4.334 1.00 0.00 H new ATOM 0 HA THR B 544 -0.742 19.040 -6.289 1.00 0.00 H new ATOM 0 HB THR B 544 1.280 19.752 -5.502 1.00 0.00 H new ATOM 0 HG1 THR B 544 2.727 18.345 -4.309 1.00 0.00 H new ATOM 0 HG21 THR B 544 1.365 19.843 -3.037 1.00 0.00 H new ATOM 0 HG22 THR B 544 -0.275 20.163 -3.651 1.00 0.00 H new ATOM 0 HG23 THR B 544 0.120 18.575 -2.952 1.00 0.00 H new ATOM 713 N GLY B 545 0.826 17.484 -7.666 1.00 0.00 N ATOM 714 CA GLY B 545 1.340 16.474 -8.572 1.00 0.00 C ATOM 715 C GLY B 545 2.217 15.456 -7.869 1.00 0.00 C ATOM 716 O GLY B 545 2.085 14.253 -8.091 1.00 0.00 O ATOM 0 H GLY B 545 0.968 18.447 -7.972 1.00 0.00 H new ATOM 0 HA2 GLY B 545 0.506 15.961 -9.051 1.00 0.00 H new ATOM 0 HA3 GLY B 545 1.913 16.958 -9.363 1.00 0.00 H new ATOM 720 N GLY B 546 3.118 15.940 -7.019 1.00 0.00 N ATOM 721 CA GLY B 546 4.008 15.051 -6.296 1.00 0.00 C ATOM 722 C GLY B 546 3.260 14.098 -5.384 1.00 0.00 C ATOM 723 O GLY B 546 3.698 12.968 -5.166 1.00 0.00 O ATOM 0 H GLY B 546 3.247 16.932 -6.819 1.00 0.00 H new ATOM 0 HA2 GLY B 546 4.601 14.477 -7.008 1.00 0.00 H new ATOM 0 HA3 GLY B 546 4.706 15.643 -5.704 1.00 0.00 H new ATOM 727 N GLU B 547 2.132 14.555 -4.850 1.00 0.00 N ATOM 728 CA GLU B 547 1.325 13.734 -3.955 1.00 0.00 C ATOM 729 C GLU B 547 0.693 12.566 -4.708 1.00 0.00 C ATOM 730 O GLU B 547 0.650 11.442 -4.208 1.00 0.00 O ATOM 731 CB GLU B 547 0.234 14.580 -3.295 1.00 0.00 C ATOM 732 CG GLU B 547 0.716 15.947 -2.842 1.00 0.00 C ATOM 733 CD GLU B 547 -0.021 16.448 -1.615 1.00 0.00 C ATOM 734 OE1 GLU B 547 -1.096 17.064 -1.779 1.00 0.00 O ATOM 735 OE2 GLU B 547 0.475 16.223 -0.491 1.00 0.00 O ATOM 0 H GLU B 547 1.757 15.488 -5.021 1.00 0.00 H new ATOM 0 HA GLU B 547 1.981 13.333 -3.182 1.00 0.00 H new ATOM 0 HB2 GLU B 547 -0.589 14.709 -3.998 1.00 0.00 H new ATOM 0 HB3 GLU B 547 -0.162 14.040 -2.435 1.00 0.00 H new ATOM 0 HG2 GLU B 547 1.783 15.899 -2.626 1.00 0.00 H new ATOM 0 HG3 GLU B 547 0.588 16.661 -3.655 1.00 0.00 H new ATOM 742 N ILE B 548 0.205 12.843 -5.912 1.00 0.00 N ATOM 743 CA ILE B 548 -0.424 11.816 -6.735 1.00 0.00 C ATOM 744 C ILE B 548 0.589 10.762 -7.168 1.00 0.00 C ATOM 745 O ILE B 548 0.399 9.569 -6.929 1.00 0.00 O ATOM 746 CB ILE B 548 -1.083 12.424 -7.987 1.00 0.00 C ATOM 747 CG1 ILE B 548 -2.327 13.225 -7.598 1.00 0.00 C ATOM 748 CG2 ILE B 548 -1.441 11.329 -8.981 1.00 0.00 C ATOM 749 CD1 ILE B 548 -2.105 14.721 -7.593 1.00 0.00 C ATOM 0 H ILE B 548 0.233 13.769 -6.340 1.00 0.00 H new ATOM 0 HA ILE B 548 -1.193 11.347 -6.121 1.00 0.00 H new ATOM 0 HB ILE B 548 -0.372 13.101 -8.461 1.00 0.00 H new ATOM 0 HG12 ILE B 548 -3.134 12.988 -8.292 1.00 0.00 H new ATOM 0 HG13 ILE B 548 -2.656 12.911 -6.607 1.00 0.00 H new ATOM 0 HG21 ILE B 548 -1.906 11.774 -9.861 1.00 0.00 H new ATOM 0 HG22 ILE B 548 -0.537 10.797 -9.278 1.00 0.00 H new ATOM 0 HG23 ILE B 548 -2.137 10.630 -8.517 1.00 0.00 H new ATOM 0 HD11 ILE B 548 -3.029 15.225 -7.308 1.00 0.00 H new ATOM 0 HD12 ILE B 548 -1.321 14.970 -6.878 1.00 0.00 H new ATOM 0 HD13 ILE B 548 -1.806 15.048 -8.589 1.00 0.00 H new ATOM 761 N VAL B 549 1.666 11.210 -7.804 1.00 0.00 N ATOM 762 CA VAL B 549 2.712 10.306 -8.268 1.00 0.00 C ATOM 763 C VAL B 549 3.306 9.512 -7.110 1.00 0.00 C ATOM 764 O VAL B 549 3.739 8.374 -7.282 1.00 0.00 O ATOM 765 CB VAL B 549 3.839 11.072 -8.984 1.00 0.00 C ATOM 766 CG1 VAL B 549 3.261 12.097 -9.948 1.00 0.00 C ATOM 767 CG2 VAL B 549 4.756 11.740 -7.971 1.00 0.00 C ATOM 0 H VAL B 549 1.838 12.194 -8.010 1.00 0.00 H new ATOM 0 HA VAL B 549 2.246 9.618 -8.974 1.00 0.00 H new ATOM 0 HB VAL B 549 4.429 10.359 -9.560 1.00 0.00 H new ATOM 0 HG11 VAL B 549 4.073 12.628 -10.444 1.00 0.00 H new ATOM 0 HG12 VAL B 549 2.649 11.590 -10.694 1.00 0.00 H new ATOM 0 HG13 VAL B 549 2.646 12.808 -9.397 1.00 0.00 H new ATOM 0 HG21 VAL B 549 5.547 12.277 -8.495 1.00 0.00 H new ATOM 0 HG22 VAL B 549 4.181 12.441 -7.366 1.00 0.00 H new ATOM 0 HG23 VAL B 549 5.199 10.982 -7.325 1.00 0.00 H new ATOM 777 N ALA B 550 3.324 10.124 -5.930 1.00 0.00 N ATOM 778 CA ALA B 550 3.864 9.473 -4.742 1.00 0.00 C ATOM 779 C ALA B 550 2.984 8.305 -4.308 1.00 0.00 C ATOM 780 O ALA B 550 3.477 7.204 -4.059 1.00 0.00 O ATOM 781 CB ALA B 550 4.004 10.480 -3.608 1.00 0.00 C ATOM 0 H ALA B 550 2.972 11.068 -5.771 1.00 0.00 H new ATOM 0 HA ALA B 550 4.850 9.079 -4.989 1.00 0.00 H new ATOM 0 HB1 ALA B 550 4.408 9.982 -2.727 1.00 0.00 H new ATOM 0 HB2 ALA B 550 4.678 11.280 -3.913 1.00 0.00 H new ATOM 0 HB3 ALA B 550 3.026 10.900 -3.371 1.00 0.00 H new ATOM 787 N VAL B 551 1.681 8.551 -4.220 1.00 0.00 N ATOM 788 CA VAL B 551 0.734 7.519 -3.818 1.00 0.00 C ATOM 789 C VAL B 551 0.799 6.317 -4.754 1.00 0.00 C ATOM 790 O VAL B 551 0.880 5.173 -4.307 1.00 0.00 O ATOM 791 CB VAL B 551 -0.708 8.059 -3.793 1.00 0.00 C ATOM 792 CG1 VAL B 551 -1.703 6.921 -3.625 1.00 0.00 C ATOM 793 CG2 VAL B 551 -0.872 9.088 -2.684 1.00 0.00 C ATOM 0 H VAL B 551 1.257 9.457 -4.422 1.00 0.00 H new ATOM 0 HA VAL B 551 1.015 7.207 -2.812 1.00 0.00 H new ATOM 0 HB VAL B 551 -0.910 8.548 -4.746 1.00 0.00 H new ATOM 0 HG11 VAL B 551 -2.716 7.323 -3.610 1.00 0.00 H new ATOM 0 HG12 VAL B 551 -1.602 6.223 -4.456 1.00 0.00 H new ATOM 0 HG13 VAL B 551 -1.505 6.400 -2.688 1.00 0.00 H new ATOM 0 HG21 VAL B 551 -1.897 9.459 -2.681 1.00 0.00 H new ATOM 0 HG22 VAL B 551 -0.651 8.625 -1.722 1.00 0.00 H new ATOM 0 HG23 VAL B 551 -0.186 9.918 -2.853 1.00 0.00 H new ATOM 803 N ILE B 552 0.762 6.586 -6.055 1.00 0.00 N ATOM 804 CA ILE B 552 0.819 5.527 -7.054 1.00 0.00 C ATOM 805 C ILE B 552 2.160 4.804 -7.014 1.00 0.00 C ATOM 806 O ILE B 552 2.248 3.617 -7.331 1.00 0.00 O ATOM 807 CB ILE B 552 0.590 6.080 -8.474 1.00 0.00 C ATOM 808 CG1 ILE B 552 0.646 4.947 -9.501 1.00 0.00 C ATOM 809 CG2 ILE B 552 1.621 7.150 -8.799 1.00 0.00 C ATOM 810 CD1 ILE B 552 0.357 5.399 -10.915 1.00 0.00 C ATOM 0 H ILE B 552 0.693 7.528 -6.441 1.00 0.00 H new ATOM 0 HA ILE B 552 0.022 4.823 -6.813 1.00 0.00 H new ATOM 0 HB ILE B 552 -0.400 6.534 -8.516 1.00 0.00 H new ATOM 0 HG12 ILE B 552 1.634 4.488 -9.470 1.00 0.00 H new ATOM 0 HG13 ILE B 552 -0.073 4.177 -9.220 1.00 0.00 H new ATOM 0 HG21 ILE B 552 1.446 7.530 -9.805 1.00 0.00 H new ATOM 0 HG22 ILE B 552 1.536 7.967 -8.082 1.00 0.00 H new ATOM 0 HG23 ILE B 552 2.621 6.721 -8.743 1.00 0.00 H new ATOM 0 HD11 ILE B 552 0.414 4.544 -11.589 1.00 0.00 H new ATOM 0 HD12 ILE B 552 -0.642 5.832 -10.962 1.00 0.00 H new ATOM 0 HD13 ILE B 552 1.091 6.147 -11.215 1.00 0.00 H new ATOM 822 N PHE B 553 3.204 5.525 -6.620 1.00 0.00 N ATOM 823 CA PHE B 553 4.542 4.952 -6.537 1.00 0.00 C ATOM 824 C PHE B 553 4.602 3.865 -5.468 1.00 0.00 C ATOM 825 O PHE B 553 5.038 2.745 -5.729 1.00 0.00 O ATOM 826 CB PHE B 553 5.570 6.043 -6.228 1.00 0.00 C ATOM 827 CG PHE B 553 6.981 5.650 -6.562 1.00 0.00 C ATOM 828 CD1 PHE B 553 7.601 4.610 -5.890 1.00 0.00 C ATOM 829 CD2 PHE B 553 7.685 6.321 -7.548 1.00 0.00 C ATOM 830 CE1 PHE B 553 8.899 4.246 -6.195 1.00 0.00 C ATOM 831 CE2 PHE B 553 8.983 5.960 -7.858 1.00 0.00 C ATOM 832 CZ PHE B 553 9.591 4.922 -7.179 1.00 0.00 C ATOM 0 H PHE B 553 3.149 6.508 -6.353 1.00 0.00 H new ATOM 0 HA PHE B 553 4.778 4.503 -7.502 1.00 0.00 H new ATOM 0 HB2 PHE B 553 5.311 6.943 -6.785 1.00 0.00 H new ATOM 0 HB3 PHE B 553 5.513 6.296 -5.169 1.00 0.00 H new ATOM 0 HD1 PHE B 553 7.064 4.077 -5.119 1.00 0.00 H new ATOM 0 HD2 PHE B 553 7.215 7.135 -8.080 1.00 0.00 H new ATOM 0 HE1 PHE B 553 9.371 3.433 -5.664 1.00 0.00 H new ATOM 0 HE2 PHE B 553 9.521 6.489 -8.630 1.00 0.00 H new ATOM 0 HZ PHE B 553 10.606 4.640 -7.418 1.00 0.00 H new ATOM 842 N GLY B 554 4.162 4.206 -4.260 1.00 0.00 N ATOM 843 CA GLY B 554 4.175 3.249 -3.169 1.00 0.00 C ATOM 844 C GLY B 554 3.052 2.236 -3.272 1.00 0.00 C ATOM 845 O GLY B 554 3.180 1.105 -2.803 1.00 0.00 O ATOM 0 H GLY B 554 3.797 5.127 -4.018 1.00 0.00 H new ATOM 0 HA2 GLY B 554 5.132 2.726 -3.160 1.00 0.00 H new ATOM 0 HA3 GLY B 554 4.094 3.782 -2.222 1.00 0.00 H new ATOM 849 N LEU B 555 1.946 2.641 -3.887 1.00 0.00 N ATOM 850 CA LEU B 555 0.795 1.761 -4.049 1.00 0.00 C ATOM 851 C LEU B 555 1.081 0.674 -5.081 1.00 0.00 C ATOM 852 O LEU B 555 0.680 -0.478 -4.912 1.00 0.00 O ATOM 853 CB LEU B 555 -0.435 2.569 -4.470 1.00 0.00 C ATOM 854 CG LEU B 555 -1.584 1.771 -5.088 1.00 0.00 C ATOM 855 CD1 LEU B 555 -2.126 0.759 -4.091 1.00 0.00 C ATOM 856 CD2 LEU B 555 -2.689 2.705 -5.558 1.00 0.00 C ATOM 0 H LEU B 555 1.823 3.573 -4.282 1.00 0.00 H new ATOM 0 HA LEU B 555 0.597 1.283 -3.090 1.00 0.00 H new ATOM 0 HB2 LEU B 555 -0.815 3.096 -3.595 1.00 0.00 H new ATOM 0 HB3 LEU B 555 -0.119 3.327 -5.187 1.00 0.00 H new ATOM 0 HG LEU B 555 -1.202 1.229 -5.953 1.00 0.00 H new ATOM 0 HD11 LEU B 555 -2.943 0.200 -4.548 1.00 0.00 H new ATOM 0 HD12 LEU B 555 -1.332 0.070 -3.803 1.00 0.00 H new ATOM 0 HD13 LEU B 555 -2.493 1.280 -3.207 1.00 0.00 H new ATOM 0 HD21 LEU B 555 -3.498 2.120 -5.995 1.00 0.00 H new ATOM 0 HD22 LEU B 555 -3.070 3.274 -4.710 1.00 0.00 H new ATOM 0 HD23 LEU B 555 -2.292 3.391 -6.306 1.00 0.00 H new ATOM 868 N LEU B 556 1.776 1.049 -6.149 1.00 0.00 N ATOM 869 CA LEU B 556 2.118 0.106 -7.208 1.00 0.00 C ATOM 870 C LEU B 556 3.221 -0.845 -6.755 1.00 0.00 C ATOM 871 O LEU B 556 3.055 -2.065 -6.785 1.00 0.00 O ATOM 872 CB LEU B 556 2.561 0.858 -8.464 1.00 0.00 C ATOM 873 CG LEU B 556 1.441 1.420 -9.340 1.00 0.00 C ATOM 874 CD1 LEU B 556 2.019 2.162 -10.535 1.00 0.00 C ATOM 875 CD2 LEU B 556 0.514 0.305 -9.801 1.00 0.00 C ATOM 0 H LEU B 556 2.114 1.999 -6.305 1.00 0.00 H new ATOM 0 HA LEU B 556 1.229 -0.482 -7.438 1.00 0.00 H new ATOM 0 HB2 LEU B 556 3.206 1.682 -8.161 1.00 0.00 H new ATOM 0 HB3 LEU B 556 3.167 0.185 -9.071 1.00 0.00 H new ATOM 0 HG LEU B 556 0.861 2.126 -8.746 1.00 0.00 H new ATOM 0 HD11 LEU B 556 1.207 2.555 -11.147 1.00 0.00 H new ATOM 0 HD12 LEU B 556 2.641 2.986 -10.185 1.00 0.00 H new ATOM 0 HD13 LEU B 556 2.624 1.478 -11.130 1.00 0.00 H new ATOM 0 HD21 LEU B 556 -0.277 0.723 -10.423 1.00 0.00 H new ATOM 0 HD22 LEU B 556 1.082 -0.425 -10.378 1.00 0.00 H new ATOM 0 HD23 LEU B 556 0.072 -0.183 -8.932 1.00 0.00 H new ATOM 887 N LEU B 557 4.347 -0.279 -6.334 1.00 0.00 N ATOM 888 CA LEU B 557 5.479 -1.076 -5.873 1.00 0.00 C ATOM 889 C LEU B 557 5.134 -1.814 -4.583 1.00 0.00 C ATOM 890 O LEU B 557 5.666 -2.889 -4.310 1.00 0.00 O ATOM 891 CB LEU B 557 6.700 -0.182 -5.651 1.00 0.00 C ATOM 892 CG LEU B 557 7.494 0.192 -6.903 1.00 0.00 C ATOM 893 CD1 LEU B 557 8.670 1.086 -6.543 1.00 0.00 C ATOM 894 CD2 LEU B 557 7.974 -1.059 -7.625 1.00 0.00 C ATOM 0 H LEU B 557 4.501 0.729 -6.302 1.00 0.00 H new ATOM 0 HA LEU B 557 5.711 -1.813 -6.642 1.00 0.00 H new ATOM 0 HB2 LEU B 557 6.369 0.737 -5.167 1.00 0.00 H new ATOM 0 HB3 LEU B 557 7.372 -0.685 -4.956 1.00 0.00 H new ATOM 0 HG LEU B 557 6.836 0.745 -7.574 1.00 0.00 H new ATOM 0 HD11 LEU B 557 9.223 1.341 -7.447 1.00 0.00 H new ATOM 0 HD12 LEU B 557 8.303 1.998 -6.072 1.00 0.00 H new ATOM 0 HD13 LEU B 557 9.328 0.560 -5.851 1.00 0.00 H new ATOM 0 HD21 LEU B 557 8.537 -0.773 -8.513 1.00 0.00 H new ATOM 0 HD22 LEU B 557 8.614 -1.639 -6.961 1.00 0.00 H new ATOM 0 HD23 LEU B 557 7.115 -1.662 -7.919 1.00 0.00 H new ATOM 906 N GLY B 558 4.237 -1.230 -3.794 1.00 0.00 N ATOM 907 CA GLY B 558 3.835 -1.847 -2.544 1.00 0.00 C ATOM 908 C GLY B 558 3.034 -3.117 -2.756 1.00 0.00 C ATOM 909 O GLY B 558 3.385 -4.175 -2.235 1.00 0.00 O ATOM 0 H GLY B 558 3.782 -0.340 -3.999 1.00 0.00 H new ATOM 0 HA2 GLY B 558 4.722 -2.075 -1.953 1.00 0.00 H new ATOM 0 HA3 GLY B 558 3.241 -1.138 -1.967 1.00 0.00 H new ATOM 913 N ALA B 559 1.954 -3.011 -3.521 1.00 0.00 N ATOM 914 CA ALA B 559 1.100 -4.160 -3.801 1.00 0.00 C ATOM 915 C ALA B 559 1.812 -5.167 -4.698 1.00 0.00 C ATOM 916 O ALA B 559 1.727 -6.375 -4.480 1.00 0.00 O ATOM 917 CB ALA B 559 -0.203 -3.706 -4.443 1.00 0.00 C ATOM 0 H ALA B 559 1.649 -2.142 -3.959 1.00 0.00 H new ATOM 0 HA ALA B 559 0.873 -4.652 -2.855 1.00 0.00 H new ATOM 0 HB1 ALA B 559 -0.830 -4.574 -4.646 1.00 0.00 H new ATOM 0 HB2 ALA B 559 -0.726 -3.031 -3.766 1.00 0.00 H new ATOM 0 HB3 ALA B 559 0.013 -3.188 -5.377 1.00 0.00 H new ATOM 923 N ALA B 560 2.513 -4.661 -5.708 1.00 0.00 N ATOM 924 CA ALA B 560 3.240 -5.516 -6.637 1.00 0.00 C ATOM 925 C ALA B 560 4.210 -6.432 -5.897 1.00 0.00 C ATOM 926 O ALA B 560 4.110 -7.656 -5.980 1.00 0.00 O ATOM 927 CB ALA B 560 3.985 -4.671 -7.660 1.00 0.00 C ATOM 0 H ALA B 560 2.592 -3.663 -5.903 1.00 0.00 H new ATOM 0 HA ALA B 560 2.516 -6.142 -7.158 1.00 0.00 H new ATOM 0 HB1 ALA B 560 4.524 -5.323 -8.348 1.00 0.00 H new ATOM 0 HB2 ALA B 560 3.273 -4.064 -8.219 1.00 0.00 H new ATOM 0 HB3 ALA B 560 4.693 -4.020 -7.148 1.00 0.00 H new ATOM 933 N LEU B 561 5.148 -5.831 -5.174 1.00 0.00 N ATOM 934 CA LEU B 561 6.136 -6.592 -4.418 1.00 0.00 C ATOM 935 C LEU B 561 5.459 -7.526 -3.421 1.00 0.00 C ATOM 936 O LEU B 561 5.884 -8.667 -3.235 1.00 0.00 O ATOM 937 CB LEU B 561 7.087 -5.644 -3.683 1.00 0.00 C ATOM 938 CG LEU B 561 8.208 -6.307 -2.881 1.00 0.00 C ATOM 939 CD1 LEU B 561 9.148 -7.066 -3.804 1.00 0.00 C ATOM 940 CD2 LEU B 561 8.973 -5.267 -2.076 1.00 0.00 C ATOM 0 H LEU B 561 5.245 -4.819 -5.095 1.00 0.00 H new ATOM 0 HA LEU B 561 6.708 -7.196 -5.122 1.00 0.00 H new ATOM 0 HB2 LEU B 561 7.538 -4.974 -4.415 1.00 0.00 H new ATOM 0 HB3 LEU B 561 6.499 -5.025 -3.005 1.00 0.00 H new ATOM 0 HG LEU B 561 7.761 -7.019 -2.187 1.00 0.00 H new ATOM 0 HD11 LEU B 561 9.939 -7.531 -3.216 1.00 0.00 H new ATOM 0 HD12 LEU B 561 8.591 -7.837 -4.337 1.00 0.00 H new ATOM 0 HD13 LEU B 561 9.589 -6.375 -4.523 1.00 0.00 H new ATOM 0 HD21 LEU B 561 9.767 -5.756 -1.511 1.00 0.00 H new ATOM 0 HD22 LEU B 561 9.409 -4.532 -2.752 1.00 0.00 H new ATOM 0 HD23 LEU B 561 8.292 -4.767 -1.387 1.00 0.00 H new ATOM 952 N LEU B 562 4.403 -7.036 -2.782 1.00 0.00 N ATOM 953 CA LEU B 562 3.664 -7.827 -1.804 1.00 0.00 C ATOM 954 C LEU B 562 3.155 -9.124 -2.427 1.00 0.00 C ATOM 955 O LEU B 562 3.354 -10.208 -1.877 1.00 0.00 O ATOM 956 CB LEU B 562 2.489 -7.020 -1.248 1.00 0.00 C ATOM 957 CG LEU B 562 1.561 -7.762 -0.286 1.00 0.00 C ATOM 958 CD1 LEU B 562 2.001 -7.546 1.154 1.00 0.00 C ATOM 959 CD2 LEU B 562 0.121 -7.309 -0.480 1.00 0.00 C ATOM 0 H LEU B 562 4.039 -6.094 -2.923 1.00 0.00 H new ATOM 0 HA LEU B 562 4.342 -8.078 -0.988 1.00 0.00 H new ATOM 0 HB2 LEU B 562 2.886 -6.144 -0.735 1.00 0.00 H new ATOM 0 HB3 LEU B 562 1.895 -6.656 -2.086 1.00 0.00 H new ATOM 0 HG LEU B 562 1.618 -8.828 -0.505 1.00 0.00 H new ATOM 0 HD11 LEU B 562 1.329 -8.082 1.824 1.00 0.00 H new ATOM 0 HD12 LEU B 562 3.017 -7.920 1.284 1.00 0.00 H new ATOM 0 HD13 LEU B 562 1.973 -6.482 1.387 1.00 0.00 H new ATOM 0 HD21 LEU B 562 -0.526 -7.847 0.213 1.00 0.00 H new ATOM 0 HD22 LEU B 562 0.047 -6.239 -0.288 1.00 0.00 H new ATOM 0 HD23 LEU B 562 -0.191 -7.516 -1.504 1.00 0.00 H new