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= -1.14 USER MOD Single : B 544 THR OG1 : rot 180:sc= -1.06 USER MOD ----------------------------------------------------------------- ATOM 98 N LEU A 543 11.515 16.370 -3.445 1.00 0.00 N ATOM 99 CA LEU A 543 11.082 15.721 -2.212 1.00 0.00 C ATOM 100 C LEU A 543 10.346 16.705 -1.308 1.00 0.00 C ATOM 101 O LEU A 543 10.886 17.747 -0.934 1.00 0.00 O ATOM 102 CB LEU A 543 12.285 15.135 -1.471 1.00 0.00 C ATOM 103 CG LEU A 543 11.970 14.328 -0.211 1.00 0.00 C ATOM 104 CD1 LEU A 543 11.666 15.255 0.954 1.00 0.00 C ATOM 105 CD2 LEU A 543 10.805 13.382 -0.461 1.00 0.00 C ATOM 0 HA LEU A 543 10.397 14.915 -2.476 1.00 0.00 H new ATOM 0 HB2 LEU A 543 12.834 14.494 -2.161 1.00 0.00 H new ATOM 0 HB3 LEU A 543 12.951 15.953 -1.197 1.00 0.00 H new ATOM 0 HG LEU A 543 12.847 13.733 0.045 1.00 0.00 H new ATOM 0 HD11 LEU A 543 11.444 14.663 1.842 1.00 0.00 H new ATOM 0 HD12 LEU A 543 12.530 15.891 1.148 1.00 0.00 H new ATOM 0 HD13 LEU A 543 10.805 15.877 0.709 1.00 0.00 H new ATOM 0 HD21 LEU A 543 10.595 12.816 0.446 1.00 0.00 H new ATOM 0 HD22 LEU A 543 9.923 13.957 -0.742 1.00 0.00 H new ATOM 0 HD23 LEU A 543 11.061 12.694 -1.267 1.00 0.00 H new ATOM 117 N THR A 544 9.108 16.367 -0.960 1.00 0.00 N ATOM 118 CA THR A 544 8.297 17.221 -0.099 1.00 0.00 C ATOM 119 C THR A 544 7.471 16.390 0.876 1.00 0.00 C ATOM 120 O THR A 544 7.244 15.201 0.657 1.00 0.00 O ATOM 121 CB THR A 544 7.351 18.113 -0.925 1.00 0.00 C ATOM 122 OG1 THR A 544 6.050 17.519 -0.991 1.00 0.00 O ATOM 123 CG2 THR A 544 7.892 18.319 -2.332 1.00 0.00 C ATOM 0 H THR A 544 8.645 15.509 -1.260 1.00 0.00 H new ATOM 0 HA THR A 544 8.986 17.854 0.460 1.00 0.00 H new ATOM 0 HB THR A 544 7.282 19.084 -0.434 1.00 0.00 H new ATOM 0 HG1 THR A 544 5.748 17.495 -1.923 1.00 0.00 H new ATOM 0 HG21 THR A 544 7.207 18.952 -2.896 1.00 0.00 H new ATOM 0 HG22 THR A 544 8.869 18.799 -2.279 1.00 0.00 H new ATOM 0 HG23 THR A 544 7.988 17.354 -2.830 1.00 0.00 H new ATOM 131 N GLY A 545 7.024 17.025 1.956 1.00 0.00 N ATOM 132 CA GLY A 545 6.228 16.329 2.949 1.00 0.00 C ATOM 133 C GLY A 545 5.065 15.573 2.335 1.00 0.00 C ATOM 134 O GLY A 545 4.812 14.422 2.682 1.00 0.00 O ATOM 0 H GLY A 545 7.199 18.009 2.160 1.00 0.00 H new ATOM 0 HA2 GLY A 545 6.863 15.631 3.495 1.00 0.00 H new ATOM 0 HA3 GLY A 545 5.847 17.048 3.674 1.00 0.00 H new ATOM 138 N GLY A 546 4.355 16.226 1.420 1.00 0.00 N ATOM 139 CA GLY A 546 3.220 15.594 0.772 1.00 0.00 C ATOM 140 C GLY A 546 3.616 14.366 -0.022 1.00 0.00 C ATOM 141 O GLY A 546 2.842 13.417 -0.135 1.00 0.00 O ATOM 0 H GLY A 546 4.545 17.181 1.116 1.00 0.00 H new ATOM 0 HA2 GLY A 546 2.485 15.314 1.526 1.00 0.00 H new ATOM 0 HA3 GLY A 546 2.738 16.312 0.108 1.00 0.00 H new ATOM 145 N GLU A 547 4.826 14.385 -0.574 1.00 0.00 N ATOM 146 CA GLU A 547 5.321 13.263 -1.364 1.00 0.00 C ATOM 147 C GLU A 547 5.562 12.041 -0.484 1.00 0.00 C ATOM 148 O GLU A 547 5.246 10.915 -0.867 1.00 0.00 O ATOM 149 CB GLU A 547 6.615 13.650 -2.083 1.00 0.00 C ATOM 150 CG GLU A 547 6.583 15.044 -2.686 1.00 0.00 C ATOM 151 CD GLU A 547 7.425 15.155 -3.943 1.00 0.00 C ATOM 152 OE1 GLU A 547 8.638 15.425 -3.821 1.00 0.00 O ATOM 153 OE2 GLU A 547 6.871 14.973 -5.047 1.00 0.00 O ATOM 0 H GLU A 547 5.480 15.163 -0.489 1.00 0.00 H new ATOM 0 HA GLU A 547 4.562 13.011 -2.105 1.00 0.00 H new ATOM 0 HB2 GLU A 547 7.445 13.587 -1.379 1.00 0.00 H new ATOM 0 HB3 GLU A 547 6.812 12.926 -2.873 1.00 0.00 H new ATOM 0 HG2 GLU A 547 5.552 15.312 -2.919 1.00 0.00 H new ATOM 0 HG3 GLU A 547 6.940 15.763 -1.949 1.00 0.00 H new ATOM 160 N ILE A 548 6.122 12.272 0.699 1.00 0.00 N ATOM 161 CA ILE A 548 6.403 11.191 1.634 1.00 0.00 C ATOM 162 C ILE A 548 5.115 10.566 2.157 1.00 0.00 C ATOM 163 O ILE A 548 4.905 9.358 2.040 1.00 0.00 O ATOM 164 CB ILE A 548 7.243 11.684 2.828 1.00 0.00 C ATOM 165 CG1 ILE A 548 8.669 12.008 2.377 1.00 0.00 C ATOM 166 CG2 ILE A 548 7.256 10.638 3.934 1.00 0.00 C ATOM 167 CD1 ILE A 548 8.933 13.489 2.227 1.00 0.00 C ATOM 0 H ILE A 548 6.390 13.198 1.032 1.00 0.00 H new ATOM 0 HA ILE A 548 6.971 10.440 1.085 1.00 0.00 H new ATOM 0 HB ILE A 548 6.791 12.595 3.221 1.00 0.00 H new ATOM 0 HG12 ILE A 548 9.373 11.593 3.099 1.00 0.00 H new ATOM 0 HG13 ILE A 548 8.861 11.515 1.424 1.00 0.00 H new ATOM 0 HG21 ILE A 548 7.853 11.000 4.771 1.00 0.00 H new ATOM 0 HG22 ILE A 548 6.236 10.451 4.270 1.00 0.00 H new ATOM 0 HG23 ILE A 548 7.688 9.712 3.554 1.00 0.00 H new ATOM 0 HD11 ILE A 548 9.963 13.644 1.905 1.00 0.00 H new ATOM 0 HD12 ILE A 548 8.254 13.906 1.484 1.00 0.00 H new ATOM 0 HD13 ILE A 548 8.773 13.986 3.184 1.00 0.00 H new ATOM 179 N VAL A 549 4.253 11.396 2.735 1.00 0.00 N ATOM 180 CA VAL A 549 2.982 10.927 3.274 1.00 0.00 C ATOM 181 C VAL A 549 2.154 10.230 2.200 1.00 0.00 C ATOM 182 O VAL A 549 1.410 9.292 2.487 1.00 0.00 O ATOM 183 CB VAL A 549 2.160 12.087 3.867 1.00 0.00 C ATOM 184 CG1 VAL A 549 3.040 12.976 4.732 1.00 0.00 C ATOM 185 CG2 VAL A 549 1.499 12.893 2.759 1.00 0.00 C ATOM 0 H VAL A 549 4.412 12.398 2.842 1.00 0.00 H new ATOM 0 HA VAL A 549 3.218 10.217 4.067 1.00 0.00 H new ATOM 0 HB VAL A 549 1.375 11.669 4.497 1.00 0.00 H new ATOM 0 HG11 VAL A 549 2.443 13.790 5.143 1.00 0.00 H new ATOM 0 HG12 VAL A 549 3.461 12.388 5.547 1.00 0.00 H new ATOM 0 HG13 VAL A 549 3.848 13.388 4.127 1.00 0.00 H new ATOM 0 HG21 VAL A 549 0.923 13.708 3.196 1.00 0.00 H new ATOM 0 HG22 VAL A 549 2.265 13.303 2.101 1.00 0.00 H new ATOM 0 HG23 VAL A 549 0.835 12.246 2.185 1.00 0.00 H new ATOM 195 N ALA A 550 2.289 10.694 0.962 1.00 0.00 N ATOM 196 CA ALA A 550 1.554 10.113 -0.155 1.00 0.00 C ATOM 197 C ALA A 550 2.001 8.680 -0.419 1.00 0.00 C ATOM 198 O ALA A 550 1.176 7.774 -0.539 1.00 0.00 O ATOM 199 CB ALA A 550 1.736 10.963 -1.404 1.00 0.00 C ATOM 0 H ALA A 550 2.900 11.470 0.707 1.00 0.00 H new ATOM 0 HA ALA A 550 0.496 10.094 0.108 1.00 0.00 H new ATOM 0 HB1 ALA A 550 1.182 10.518 -2.231 1.00 0.00 H new ATOM 0 HB2 ALA A 550 1.362 11.970 -1.217 1.00 0.00 H new ATOM 0 HB3 ALA A 550 2.794 11.011 -1.660 1.00 0.00 H new ATOM 205 N VAL A 551 3.312 8.480 -0.510 1.00 0.00 N ATOM 206 CA VAL A 551 3.868 7.156 -0.761 1.00 0.00 C ATOM 207 C VAL A 551 3.438 6.167 0.318 1.00 0.00 C ATOM 208 O VAL A 551 2.947 5.080 0.016 1.00 0.00 O ATOM 209 CB VAL A 551 5.406 7.195 -0.822 1.00 0.00 C ATOM 210 CG1 VAL A 551 5.978 5.786 -0.828 1.00 0.00 C ATOM 211 CG2 VAL A 551 5.871 7.974 -2.044 1.00 0.00 C ATOM 0 H VAL A 551 4.009 9.219 -0.414 1.00 0.00 H new ATOM 0 HA VAL A 551 3.482 6.828 -1.726 1.00 0.00 H new ATOM 0 HB VAL A 551 5.774 7.705 0.068 1.00 0.00 H new ATOM 0 HG11 VAL A 551 7.066 5.835 -0.871 1.00 0.00 H new ATOM 0 HG12 VAL A 551 5.674 5.266 0.081 1.00 0.00 H new ATOM 0 HG13 VAL A 551 5.604 5.245 -1.698 1.00 0.00 H new ATOM 0 HG21 VAL A 551 6.961 7.992 -2.071 1.00 0.00 H new ATOM 0 HG22 VAL A 551 5.493 7.494 -2.947 1.00 0.00 H new ATOM 0 HG23 VAL A 551 5.493 8.995 -1.990 1.00 0.00 H new ATOM 221 N ILE A 552 3.628 6.552 1.575 1.00 0.00 N ATOM 222 CA ILE A 552 3.258 5.700 2.698 1.00 0.00 C ATOM 223 C ILE A 552 1.754 5.448 2.726 1.00 0.00 C ATOM 224 O ILE A 552 1.295 4.423 3.229 1.00 0.00 O ATOM 225 CB ILE A 552 3.687 6.320 4.041 1.00 0.00 C ATOM 226 CG1 ILE A 552 3.340 5.380 5.197 1.00 0.00 C ATOM 227 CG2 ILE A 552 3.024 7.676 4.234 1.00 0.00 C ATOM 228 CD1 ILE A 552 3.717 5.928 6.556 1.00 0.00 C ATOM 0 H ILE A 552 4.036 7.448 1.841 1.00 0.00 H new ATOM 0 HA ILE A 552 3.780 4.753 2.560 1.00 0.00 H new ATOM 0 HB ILE A 552 4.767 6.465 4.029 1.00 0.00 H new ATOM 0 HG12 ILE A 552 2.269 5.177 5.180 1.00 0.00 H new ATOM 0 HG13 ILE A 552 3.848 4.427 5.045 1.00 0.00 H new ATOM 0 HG21 ILE A 552 3.337 8.102 5.187 1.00 0.00 H new ATOM 0 HG22 ILE A 552 3.319 8.344 3.424 1.00 0.00 H new ATOM 0 HG23 ILE A 552 1.941 7.555 4.229 1.00 0.00 H new ATOM 0 HD11 ILE A 552 3.442 5.209 7.327 1.00 0.00 H new ATOM 0 HD12 ILE A 552 4.792 6.105 6.592 1.00 0.00 H new ATOM 0 HD13 ILE A 552 3.189 6.866 6.729 1.00 0.00 H new ATOM 240 N PHE A 553 0.992 6.388 2.178 1.00 0.00 N ATOM 241 CA PHE A 553 -0.461 6.268 2.138 1.00 0.00 C ATOM 242 C PHE A 553 -0.886 5.125 1.222 1.00 0.00 C ATOM 243 O PHE A 553 -1.605 4.217 1.637 1.00 0.00 O ATOM 244 CB PHE A 553 -1.089 7.580 1.663 1.00 0.00 C ATOM 245 CG PHE A 553 -2.537 7.721 2.037 1.00 0.00 C ATOM 246 CD1 PHE A 553 -3.502 6.928 1.436 1.00 0.00 C ATOM 247 CD2 PHE A 553 -2.933 8.646 2.990 1.00 0.00 C ATOM 248 CE1 PHE A 553 -4.835 7.056 1.778 1.00 0.00 C ATOM 249 CE2 PHE A 553 -4.265 8.779 3.336 1.00 0.00 C ATOM 250 CZ PHE A 553 -5.216 7.982 2.731 1.00 0.00 C ATOM 0 H PHE A 553 1.356 7.242 1.755 1.00 0.00 H new ATOM 0 HA PHE A 553 -0.812 6.051 3.147 1.00 0.00 H new ATOM 0 HB2 PHE A 553 -0.530 8.415 2.085 1.00 0.00 H new ATOM 0 HB3 PHE A 553 -0.994 7.648 0.579 1.00 0.00 H new ATOM 0 HD1 PHE A 553 -3.209 6.202 0.692 1.00 0.00 H new ATOM 0 HD2 PHE A 553 -2.193 9.270 3.468 1.00 0.00 H new ATOM 0 HE1 PHE A 553 -5.578 6.434 1.301 1.00 0.00 H new ATOM 0 HE2 PHE A 553 -4.561 9.505 4.078 1.00 0.00 H new ATOM 0 HZ PHE A 553 -6.257 8.082 3.002 1.00 0.00 H new ATOM 260 N GLY A 554 -0.437 5.177 -0.028 1.00 0.00 N ATOM 261 CA GLY A 554 -0.782 4.142 -0.984 1.00 0.00 C ATOM 262 C GLY A 554 -0.004 2.860 -0.757 1.00 0.00 C ATOM 263 O GLY A 554 -0.450 1.779 -1.143 1.00 0.00 O ATOM 0 H GLY A 554 0.160 5.918 -0.396 1.00 0.00 H new ATOM 0 HA2 GLY A 554 -1.850 3.932 -0.918 1.00 0.00 H new ATOM 0 HA3 GLY A 554 -0.590 4.506 -1.994 1.00 0.00 H new ATOM 267 N LEU A 555 1.161 2.981 -0.131 1.00 0.00 N ATOM 268 CA LEU A 555 2.004 1.823 0.146 1.00 0.00 C ATOM 269 C LEU A 555 1.399 0.961 1.249 1.00 0.00 C ATOM 270 O LEU A 555 1.222 -0.247 1.081 1.00 0.00 O ATOM 271 CB LEU A 555 3.408 2.275 0.548 1.00 0.00 C ATOM 272 CG LEU A 555 4.264 1.238 1.277 1.00 0.00 C ATOM 273 CD1 LEU A 555 4.476 0.011 0.402 1.00 0.00 C ATOM 274 CD2 LEU A 555 5.599 1.841 1.687 1.00 0.00 C ATOM 0 H LEU A 555 1.544 3.869 0.194 1.00 0.00 H new ATOM 0 HA LEU A 555 2.068 1.225 -0.763 1.00 0.00 H new ATOM 0 HB2 LEU A 555 3.939 2.587 -0.351 1.00 0.00 H new ATOM 0 HB3 LEU A 555 3.316 3.154 1.186 1.00 0.00 H new ATOM 0 HG LEU A 555 3.736 0.929 2.179 1.00 0.00 H new ATOM 0 HD11 LEU A 555 5.087 -0.716 0.937 1.00 0.00 H new ATOM 0 HD12 LEU A 555 3.511 -0.434 0.160 1.00 0.00 H new ATOM 0 HD13 LEU A 555 4.982 0.303 -0.518 1.00 0.00 H new ATOM 0 HD21 LEU A 555 6.195 1.089 2.204 1.00 0.00 H new ATOM 0 HD22 LEU A 555 6.133 2.179 0.799 1.00 0.00 H new ATOM 0 HD23 LEU A 555 5.427 2.688 2.352 1.00 0.00 H new ATOM 286 N LEU A 556 1.082 1.588 2.376 1.00 0.00 N ATOM 287 CA LEU A 556 0.494 0.879 3.507 1.00 0.00 C ATOM 288 C LEU A 556 -0.899 0.362 3.162 1.00 0.00 C ATOM 289 O LEU A 556 -1.183 -0.828 3.302 1.00 0.00 O ATOM 290 CB LEU A 556 0.421 1.797 4.728 1.00 0.00 C ATOM 291 CG LEU A 556 1.695 1.901 5.567 1.00 0.00 C ATOM 292 CD1 LEU A 556 2.913 2.056 4.671 1.00 0.00 C ATOM 293 CD2 LEU A 556 1.597 3.063 6.544 1.00 0.00 C ATOM 0 H LEU A 556 1.222 2.586 2.531 1.00 0.00 H new ATOM 0 HA LEU A 556 1.131 0.025 3.739 1.00 0.00 H new ATOM 0 HB2 LEU A 556 0.150 2.797 4.390 1.00 0.00 H new ATOM 0 HB3 LEU A 556 -0.387 1.448 5.372 1.00 0.00 H new ATOM 0 HG LEU A 556 1.806 0.980 6.140 1.00 0.00 H new ATOM 0 HD11 LEU A 556 3.810 2.128 5.286 1.00 0.00 H new ATOM 0 HD12 LEU A 556 2.993 1.191 4.013 1.00 0.00 H new ATOM 0 HD13 LEU A 556 2.810 2.960 4.071 1.00 0.00 H new ATOM 0 HD21 LEU A 556 2.513 3.122 7.133 1.00 0.00 H new ATOM 0 HD22 LEU A 556 1.461 3.993 5.991 1.00 0.00 H new ATOM 0 HD23 LEU A 556 0.747 2.909 7.209 1.00 0.00 H new ATOM 305 N LEU A 557 -1.762 1.263 2.708 1.00 0.00 N ATOM 306 CA LEU A 557 -3.126 0.897 2.338 1.00 0.00 C ATOM 307 C LEU A 557 -3.135 -0.005 1.109 1.00 0.00 C ATOM 308 O LEU A 557 -4.064 -0.785 0.905 1.00 0.00 O ATOM 309 CB LEU A 557 -3.956 2.154 2.070 1.00 0.00 C ATOM 310 CG LEU A 557 -4.357 2.970 3.298 1.00 0.00 C ATOM 311 CD1 LEU A 557 -5.262 4.126 2.900 1.00 0.00 C ATOM 312 CD2 LEU A 557 -5.043 2.083 4.327 1.00 0.00 C ATOM 0 H LEU A 557 -1.543 2.252 2.587 1.00 0.00 H new ATOM 0 HA LEU A 557 -3.567 0.348 3.170 1.00 0.00 H new ATOM 0 HB2 LEU A 557 -3.392 2.801 1.398 1.00 0.00 H new ATOM 0 HB3 LEU A 557 -4.863 1.860 1.542 1.00 0.00 H new ATOM 0 HG LEU A 557 -3.453 3.382 3.747 1.00 0.00 H new ATOM 0 HD11 LEU A 557 -5.537 4.695 3.788 1.00 0.00 H new ATOM 0 HD12 LEU A 557 -4.736 4.776 2.201 1.00 0.00 H new ATOM 0 HD13 LEU A 557 -6.163 3.736 2.426 1.00 0.00 H new ATOM 0 HD21 LEU A 557 -5.322 2.681 5.195 1.00 0.00 H new ATOM 0 HD22 LEU A 557 -5.938 1.642 3.888 1.00 0.00 H new ATOM 0 HD23 LEU A 557 -4.362 1.290 4.636 1.00 0.00 H new ATOM 324 N GLY A 558 -2.090 0.104 0.293 1.00 0.00 N ATOM 325 CA GLY A 558 -1.996 -0.709 -0.905 1.00 0.00 C ATOM 326 C GLY A 558 -1.838 -2.183 -0.593 1.00 0.00 C ATOM 327 O GLY A 558 -2.701 -2.992 -0.935 1.00 0.00 O ATOM 0 H GLY A 558 -1.307 0.741 0.441 1.00 0.00 H new ATOM 0 HA2 GLY A 558 -2.890 -0.563 -1.511 1.00 0.00 H new ATOM 0 HA3 GLY A 558 -1.148 -0.374 -1.502 1.00 0.00 H new ATOM 331 N ALA A 559 -0.734 -2.535 0.057 1.00 0.00 N ATOM 332 CA ALA A 559 -0.466 -3.922 0.414 1.00 0.00 C ATOM 333 C ALA A 559 -1.485 -4.435 1.427 1.00 0.00 C ATOM 334 O ALA A 559 -1.976 -5.557 1.314 1.00 0.00 O ATOM 335 CB ALA A 559 0.945 -4.064 0.964 1.00 0.00 C ATOM 0 H ALA A 559 -0.010 -1.878 0.347 1.00 0.00 H new ATOM 0 HA ALA A 559 -0.554 -4.526 -0.489 1.00 0.00 H new ATOM 0 HB1 ALA A 559 1.130 -5.106 1.226 1.00 0.00 H new ATOM 0 HB2 ALA A 559 1.664 -3.747 0.208 1.00 0.00 H new ATOM 0 HB3 ALA A 559 1.054 -3.442 1.852 1.00 0.00 H new ATOM 341 N ALA A 560 -1.798 -3.605 2.416 1.00 0.00 N ATOM 342 CA ALA A 560 -2.759 -3.973 3.448 1.00 0.00 C ATOM 343 C ALA A 560 -4.058 -4.481 2.832 1.00 0.00 C ATOM 344 O ALA A 560 -4.469 -5.616 3.074 1.00 0.00 O ATOM 345 CB ALA A 560 -3.033 -2.787 4.362 1.00 0.00 C ATOM 0 H ALA A 560 -1.400 -2.672 2.524 1.00 0.00 H new ATOM 0 HA ALA A 560 -2.328 -4.781 4.040 1.00 0.00 H new ATOM 0 HB1 ALA A 560 -3.753 -3.076 5.128 1.00 0.00 H new ATOM 0 HB2 ALA A 560 -2.104 -2.472 4.837 1.00 0.00 H new ATOM 0 HB3 ALA A 560 -3.439 -1.962 3.776 1.00 0.00 H new ATOM 351 N LEU A 561 -4.701 -3.633 2.037 1.00 0.00 N ATOM 352 CA LEU A 561 -5.955 -3.996 1.386 1.00 0.00 C ATOM 353 C LEU A 561 -5.771 -5.218 0.493 1.00 0.00 C ATOM 354 O LEU A 561 -6.654 -6.072 0.401 1.00 0.00 O ATOM 355 CB LEU A 561 -6.482 -2.821 0.559 1.00 0.00 C ATOM 356 CG LEU A 561 -7.893 -2.981 -0.009 1.00 0.00 C ATOM 357 CD1 LEU A 561 -8.896 -3.215 1.110 1.00 0.00 C ATOM 358 CD2 LEU A 561 -8.279 -1.757 -0.827 1.00 0.00 C ATOM 0 H LEU A 561 -4.375 -2.689 1.828 1.00 0.00 H new ATOM 0 HA LEU A 561 -6.681 -4.241 2.162 1.00 0.00 H new ATOM 0 HB2 LEU A 561 -6.461 -1.926 1.181 1.00 0.00 H new ATOM 0 HB3 LEU A 561 -5.795 -2.649 -0.270 1.00 0.00 H new ATOM 0 HG LEU A 561 -7.904 -3.851 -0.666 1.00 0.00 H new ATOM 0 HD11 LEU A 561 -9.894 -3.326 0.687 1.00 0.00 H new ATOM 0 HD12 LEU A 561 -8.629 -4.121 1.654 1.00 0.00 H new ATOM 0 HD13 LEU A 561 -8.884 -2.365 1.793 1.00 0.00 H new ATOM 0 HD21 LEU A 561 -9.286 -1.887 -1.224 1.00 0.00 H new ATOM 0 HD22 LEU A 561 -8.251 -0.871 -0.192 1.00 0.00 H new ATOM 0 HD23 LEU A 561 -7.577 -1.634 -1.652 1.00 0.00 H new ATOM 370 N LEU A 562 -4.618 -5.298 -0.163 1.00 0.00 N ATOM 371 CA LEU A 562 -4.316 -6.419 -1.047 1.00 0.00 C ATOM 372 C LEU A 562 -4.316 -7.735 -0.278 1.00 0.00 C ATOM 373 O LEU A 562 -5.083 -8.648 -0.589 1.00 0.00 O ATOM 374 CB LEU A 562 -2.960 -6.209 -1.723 1.00 0.00 C ATOM 375 CG LEU A 562 -2.738 -6.968 -3.032 1.00 0.00 C ATOM 376 CD1 LEU A 562 -1.384 -6.616 -3.629 1.00 0.00 C ATOM 377 CD2 LEU A 562 -2.849 -8.468 -2.805 1.00 0.00 C ATOM 0 H LEU A 562 -3.877 -4.600 -0.099 1.00 0.00 H new ATOM 0 HA LEU A 562 -5.092 -6.467 -1.811 1.00 0.00 H new ATOM 0 HB2 LEU A 562 -2.835 -5.144 -1.918 1.00 0.00 H new ATOM 0 HB3 LEU A 562 -2.178 -6.499 -1.021 1.00 0.00 H new ATOM 0 HG LEU A 562 -3.513 -6.670 -3.738 1.00 0.00 H new ATOM 0 HD11 LEU A 562 -1.243 -7.165 -4.560 1.00 0.00 H new ATOM 0 HD12 LEU A 562 -1.342 -5.545 -3.829 1.00 0.00 H new ATOM 0 HD13 LEU A 562 -0.595 -6.885 -2.926 1.00 0.00 H new ATOM 0 HD21 LEU A 562 -2.688 -8.991 -3.747 1.00 0.00 H new ATOM 0 HD22 LEU A 562 -2.097 -8.783 -2.082 1.00 0.00 H new ATOM 0 HD23 LEU A 562 -3.842 -8.706 -2.423 1.00 0.00 H new ATOM 389 N LEU A 563 -3.456 -7.826 0.729 1.00 0.00 N ATOM 390 CA LEU A 563 -3.358 -9.031 1.546 1.00 0.00 C ATOM 391 C LEU A 563 -4.716 -9.406 2.128 1.00 0.00 C ATOM 392 O LEU A 563 -5.059 -10.584 2.223 1.00 0.00 O ATOM 393 CB LEU A 563 -2.345 -8.825 2.674 1.00 0.00 C ATOM 394 CG LEU A 563 -1.891 -10.089 3.407 1.00 0.00 C ATOM 395 CD1 LEU A 563 -0.550 -10.564 2.871 1.00 0.00 C ATOM 396 CD2 LEU A 563 -1.809 -9.836 4.905 1.00 0.00 C ATOM 0 H LEU A 563 -2.816 -7.080 1.000 1.00 0.00 H new ATOM 0 HA LEU A 563 -3.020 -9.847 0.907 1.00 0.00 H new ATOM 0 HB2 LEU A 563 -1.465 -8.333 2.260 1.00 0.00 H new ATOM 0 HB3 LEU A 563 -2.778 -8.141 3.404 1.00 0.00 H new ATOM 0 HG LEU A 563 -2.628 -10.873 3.231 1.00 0.00 H new ATOM 0 HD11 LEU A 563 -0.243 -11.464 3.404 1.00 0.00 H new ATOM 0 HD12 LEU A 563 -0.641 -10.786 1.808 1.00 0.00 H new ATOM 0 HD13 LEU A 563 0.197 -9.784 3.016 1.00 0.00 H new ATOM 0 HD21 LEU A 563 -1.485 -10.746 5.410 1.00 0.00 H new ATOM 0 HD22 LEU A 563 -1.093 -9.037 5.100 1.00 0.00 H new ATOM 0 HD23 LEU A 563 -2.790 -9.543 5.279 1.00 0.00 H new ATOM 408 N GLY A 564 -5.488 -8.395 2.516 1.00 0.00 N ATOM 409 CA GLY A 564 -6.801 -8.638 3.083 1.00 0.00 C ATOM 410 C GLY A 564 -7.710 -9.397 2.136 1.00 0.00 C ATOM 411 O GLY A 564 -8.089 -10.536 2.408 1.00 0.00 O ATOM 0 H GLY A 564 -5.227 -7.411 2.447 1.00 0.00 H new ATOM 0 HA2 GLY A 564 -6.695 -9.202 4.010 1.00 0.00 H new ATOM 0 HA3 GLY A 564 -7.264 -7.686 3.341 1.00 0.00 H new ATOM 673 N GLY B 542 -3.983 20.752 -0.446 1.00 0.00 N ATOM 674 CA GLY B 542 -3.813 19.399 0.050 1.00 0.00 C ATOM 675 C GLY B 542 -3.587 18.398 -1.066 1.00 0.00 C ATOM 676 O GLY B 542 -3.471 17.196 -0.817 1.00 0.00 O ATOM 0 HA2 GLY B 542 -2.967 19.370 0.737 1.00 0.00 H new ATOM 0 HA3 GLY B 542 -4.696 19.110 0.620 1.00 0.00 H new ATOM 680 N LEU B 543 -3.525 18.890 -2.298 1.00 0.00 N ATOM 681 CA LEU B 543 -3.313 18.030 -3.457 1.00 0.00 C ATOM 682 C LEU B 543 -2.294 18.643 -4.411 1.00 0.00 C ATOM 683 O LEU B 543 -2.462 19.772 -4.875 1.00 0.00 O ATOM 684 CB LEU B 543 -4.635 17.791 -4.188 1.00 0.00 C ATOM 685 CG LEU B 543 -4.575 16.853 -5.394 1.00 0.00 C ATOM 686 CD1 LEU B 543 -3.998 17.574 -6.602 1.00 0.00 C ATOM 687 CD2 LEU B 543 -3.752 15.616 -5.066 1.00 0.00 C ATOM 0 H LEU B 543 -3.619 19.881 -2.521 1.00 0.00 H new ATOM 0 HA LEU B 543 -2.923 17.075 -3.104 1.00 0.00 H new ATOM 0 HB2 LEU B 543 -5.354 17.388 -3.475 1.00 0.00 H new ATOM 0 HB3 LEU B 543 -5.022 18.754 -4.521 1.00 0.00 H new ATOM 0 HG LEU B 543 -5.590 16.537 -5.636 1.00 0.00 H new ATOM 0 HD11 LEU B 543 -3.963 16.891 -7.451 1.00 0.00 H new ATOM 0 HD12 LEU B 543 -4.627 18.429 -6.850 1.00 0.00 H new ATOM 0 HD13 LEU B 543 -2.990 17.919 -6.372 1.00 0.00 H new ATOM 0 HD21 LEU B 543 -3.720 14.959 -5.935 1.00 0.00 H new ATOM 0 HD22 LEU B 543 -2.738 15.914 -4.798 1.00 0.00 H new ATOM 0 HD23 LEU B 543 -4.208 15.087 -4.229 1.00 0.00 H new ATOM 699 N THR B 544 -1.237 17.892 -4.702 1.00 0.00 N ATOM 700 CA THR B 544 -0.190 18.361 -5.603 1.00 0.00 C ATOM 701 C THR B 544 0.328 17.229 -6.481 1.00 0.00 C ATOM 702 O THR B 544 0.163 16.054 -6.156 1.00 0.00 O ATOM 703 CB THR B 544 0.989 18.972 -4.823 1.00 0.00 C ATOM 704 OG1 THR B 544 2.032 18.002 -4.672 1.00 0.00 O ATOM 705 CG2 THR B 544 0.540 19.457 -3.453 1.00 0.00 C ATOM 0 H THR B 544 -1.083 16.956 -4.327 1.00 0.00 H new ATOM 0 HA THR B 544 -0.637 19.130 -6.234 1.00 0.00 H new ATOM 0 HB THR B 544 1.365 19.825 -5.388 1.00 0.00 H new ATOM 0 HG1 THR B 544 2.779 18.399 -4.176 1.00 0.00 H new ATOM 0 HG21 THR B 544 1.390 19.884 -2.922 1.00 0.00 H new ATOM 0 HG22 THR B 544 -0.233 20.216 -3.571 1.00 0.00 H new ATOM 0 HG23 THR B 544 0.140 18.618 -2.883 1.00 0.00 H new ATOM 713 N GLY B 545 0.956 17.590 -7.596 1.00 0.00 N ATOM 714 CA GLY B 545 1.490 16.591 -8.504 1.00 0.00 C ATOM 715 C GLY B 545 2.344 15.561 -7.794 1.00 0.00 C ATOM 716 O GLY B 545 2.210 14.361 -8.033 1.00 0.00 O ATOM 0 H GLY B 545 1.105 18.556 -7.887 1.00 0.00 H new ATOM 0 HA2 GLY B 545 0.667 16.088 -9.011 1.00 0.00 H new ATOM 0 HA3 GLY B 545 2.085 17.084 -9.273 1.00 0.00 H new ATOM 720 N GLY B 546 3.230 16.029 -6.919 1.00 0.00 N ATOM 721 CA GLY B 546 4.099 15.126 -6.187 1.00 0.00 C ATOM 722 C GLY B 546 3.326 14.161 -5.310 1.00 0.00 C ATOM 723 O GLY B 546 3.754 13.027 -5.099 1.00 0.00 O ATOM 0 H GLY B 546 3.361 17.018 -6.704 1.00 0.00 H new ATOM 0 HA2 GLY B 546 4.709 14.562 -6.893 1.00 0.00 H new ATOM 0 HA3 GLY B 546 4.783 15.707 -5.568 1.00 0.00 H new ATOM 727 N GLU B 547 2.185 14.612 -4.798 1.00 0.00 N ATOM 728 CA GLU B 547 1.353 13.780 -3.937 1.00 0.00 C ATOM 729 C GLU B 547 0.738 12.627 -4.724 1.00 0.00 C ATOM 730 O GLU B 547 0.682 11.494 -4.244 1.00 0.00 O ATOM 731 CB GLU B 547 0.248 14.619 -3.293 1.00 0.00 C ATOM 732 CG GLU B 547 0.722 15.979 -2.805 1.00 0.00 C ATOM 733 CD GLU B 547 -0.048 16.464 -1.592 1.00 0.00 C ATOM 734 OE1 GLU B 547 0.367 16.145 -0.458 1.00 0.00 O ATOM 735 OE2 GLU B 547 -1.067 17.163 -1.777 1.00 0.00 O ATOM 0 H GLU B 547 1.816 15.548 -4.964 1.00 0.00 H new ATOM 0 HA GLU B 547 1.987 13.365 -3.154 1.00 0.00 H new ATOM 0 HB2 GLU B 547 -0.556 14.761 -4.015 1.00 0.00 H new ATOM 0 HB3 GLU B 547 -0.173 14.067 -2.452 1.00 0.00 H new ATOM 0 HG2 GLU B 547 1.782 15.923 -2.559 1.00 0.00 H new ATOM 0 HG3 GLU B 547 0.619 16.706 -3.611 1.00 0.00 H new ATOM 742 N ILE B 548 0.278 12.924 -5.935 1.00 0.00 N ATOM 743 CA ILE B 548 -0.332 11.912 -6.789 1.00 0.00 C ATOM 744 C ILE B 548 0.688 10.861 -7.211 1.00 0.00 C ATOM 745 O ILE B 548 0.488 9.665 -6.997 1.00 0.00 O ATOM 746 CB ILE B 548 -0.956 12.541 -8.049 1.00 0.00 C ATOM 747 CG1 ILE B 548 -2.206 13.343 -7.679 1.00 0.00 C ATOM 748 CG2 ILE B 548 -1.293 11.463 -9.067 1.00 0.00 C ATOM 749 CD1 ILE B 548 -1.980 14.838 -7.658 1.00 0.00 C ATOM 0 H ILE B 548 0.316 13.857 -6.347 1.00 0.00 H new ATOM 0 HA ILE B 548 -1.118 11.436 -6.203 1.00 0.00 H new ATOM 0 HB ILE B 548 -0.231 13.221 -8.496 1.00 0.00 H new ATOM 0 HG12 ILE B 548 -2.999 13.114 -8.391 1.00 0.00 H new ATOM 0 HG13 ILE B 548 -2.556 13.023 -6.698 1.00 0.00 H new ATOM 0 HG21 ILE B 548 -1.733 11.923 -9.952 1.00 0.00 H new ATOM 0 HG22 ILE B 548 -0.384 10.931 -9.348 1.00 0.00 H new ATOM 0 HG23 ILE B 548 -2.004 10.761 -8.631 1.00 0.00 H new ATOM 0 HD11 ILE B 548 -2.908 15.342 -7.388 1.00 0.00 H new ATOM 0 HD12 ILE B 548 -1.210 15.079 -6.926 1.00 0.00 H new ATOM 0 HD13 ILE B 548 -1.659 15.171 -8.645 1.00 0.00 H new ATOM 761 N VAL B 549 1.784 11.315 -7.811 1.00 0.00 N ATOM 762 CA VAL B 549 2.839 10.414 -8.261 1.00 0.00 C ATOM 763 C VAL B 549 3.403 9.605 -7.099 1.00 0.00 C ATOM 764 O VAL B 549 3.823 8.461 -7.272 1.00 0.00 O ATOM 765 CB VAL B 549 3.985 11.186 -8.939 1.00 0.00 C ATOM 766 CG1 VAL B 549 3.433 12.226 -9.902 1.00 0.00 C ATOM 767 CG2 VAL B 549 4.880 11.837 -7.894 1.00 0.00 C ATOM 0 H VAL B 549 1.965 12.302 -7.997 1.00 0.00 H new ATOM 0 HA VAL B 549 2.389 9.737 -8.987 1.00 0.00 H new ATOM 0 HB VAL B 549 4.587 10.480 -9.511 1.00 0.00 H new ATOM 0 HG11 VAL B 549 4.258 12.761 -10.371 1.00 0.00 H new ATOM 0 HG12 VAL B 549 2.838 11.731 -10.670 1.00 0.00 H new ATOM 0 HG13 VAL B 549 2.807 12.931 -9.356 1.00 0.00 H new ATOM 0 HG21 VAL B 549 5.685 12.379 -8.391 1.00 0.00 H new ATOM 0 HG22 VAL B 549 4.292 12.531 -7.293 1.00 0.00 H new ATOM 0 HG23 VAL B 549 5.304 11.068 -7.249 1.00 0.00 H new ATOM 777 N ALA B 550 3.409 10.206 -5.914 1.00 0.00 N ATOM 778 CA ALA B 550 3.920 9.540 -4.722 1.00 0.00 C ATOM 779 C ALA B 550 3.035 8.360 -4.331 1.00 0.00 C ATOM 780 O ALA B 550 3.524 7.251 -4.113 1.00 0.00 O ATOM 781 CB ALA B 550 4.024 10.528 -3.570 1.00 0.00 C ATOM 0 H ALA B 550 3.066 11.153 -5.754 1.00 0.00 H new ATOM 0 HA ALA B 550 4.915 9.156 -4.948 1.00 0.00 H new ATOM 0 HB1 ALA B 550 4.407 10.018 -2.686 1.00 0.00 H new ATOM 0 HB2 ALA B 550 4.702 11.336 -3.844 1.00 0.00 H new ATOM 0 HB3 ALA B 550 3.038 10.939 -3.353 1.00 0.00 H new ATOM 787 N VAL B 551 1.733 8.607 -4.243 1.00 0.00 N ATOM 788 CA VAL B 551 0.779 7.565 -3.879 1.00 0.00 C ATOM 789 C VAL B 551 0.861 6.385 -4.840 1.00 0.00 C ATOM 790 O VAL B 551 0.958 5.232 -4.419 1.00 0.00 O ATOM 791 CB VAL B 551 -0.663 8.104 -3.864 1.00 0.00 C ATOM 792 CG1 VAL B 551 -1.659 6.958 -3.764 1.00 0.00 C ATOM 793 CG2 VAL B 551 -0.853 9.089 -2.721 1.00 0.00 C ATOM 0 H VAL B 551 1.313 9.520 -4.419 1.00 0.00 H new ATOM 0 HA VAL B 551 1.043 7.231 -2.876 1.00 0.00 H new ATOM 0 HB VAL B 551 -0.845 8.632 -4.800 1.00 0.00 H new ATOM 0 HG11 VAL B 551 -2.673 7.357 -3.755 1.00 0.00 H new ATOM 0 HG12 VAL B 551 -1.538 6.295 -4.621 1.00 0.00 H new ATOM 0 HG13 VAL B 551 -1.480 6.400 -2.845 1.00 0.00 H new ATOM 0 HG21 VAL B 551 -1.878 9.459 -2.726 1.00 0.00 H new ATOM 0 HG22 VAL B 551 -0.653 8.589 -1.773 1.00 0.00 H new ATOM 0 HG23 VAL B 551 -0.165 9.925 -2.843 1.00 0.00 H new ATOM 803 N ILE B 552 0.821 6.681 -6.136 1.00 0.00 N ATOM 804 CA ILE B 552 0.893 5.644 -7.158 1.00 0.00 C ATOM 805 C ILE B 552 2.230 4.914 -7.107 1.00 0.00 C ATOM 806 O ILE B 552 2.322 3.739 -7.465 1.00 0.00 O ATOM 807 CB ILE B 552 0.693 6.230 -8.568 1.00 0.00 C ATOM 808 CG1 ILE B 552 0.664 5.110 -9.610 1.00 0.00 C ATOM 809 CG2 ILE B 552 1.795 7.229 -8.887 1.00 0.00 C ATOM 810 CD1 ILE B 552 0.454 5.604 -11.023 1.00 0.00 C ATOM 0 H ILE B 552 0.739 7.630 -6.502 1.00 0.00 H new ATOM 0 HA ILE B 552 0.089 4.938 -6.949 1.00 0.00 H new ATOM 0 HB ILE B 552 -0.263 6.752 -8.596 1.00 0.00 H new ATOM 0 HG12 ILE B 552 1.602 4.557 -9.563 1.00 0.00 H new ATOM 0 HG13 ILE B 552 -0.132 4.410 -9.357 1.00 0.00 H new ATOM 0 HG21 ILE B 552 1.640 7.635 -9.887 1.00 0.00 H new ATOM 0 HG22 ILE B 552 1.773 8.040 -8.159 1.00 0.00 H new ATOM 0 HG23 ILE B 552 2.763 6.729 -8.844 1.00 0.00 H new ATOM 0 HD11 ILE B 552 0.445 4.756 -11.707 1.00 0.00 H new ATOM 0 HD12 ILE B 552 -0.498 6.132 -11.086 1.00 0.00 H new ATOM 0 HD13 ILE B 552 1.263 6.281 -11.296 1.00 0.00 H new ATOM 822 N PHE B 553 3.266 5.616 -6.661 1.00 0.00 N ATOM 823 CA PHE B 553 4.600 5.034 -6.563 1.00 0.00 C ATOM 824 C PHE B 553 4.631 3.919 -5.522 1.00 0.00 C ATOM 825 O PHE B 553 5.045 2.797 -5.810 1.00 0.00 O ATOM 826 CB PHE B 553 5.624 6.112 -6.203 1.00 0.00 C ATOM 827 CG PHE B 553 7.037 5.733 -6.543 1.00 0.00 C ATOM 828 CD1 PHE B 553 7.674 4.706 -5.865 1.00 0.00 C ATOM 829 CD2 PHE B 553 7.728 6.403 -7.540 1.00 0.00 C ATOM 830 CE1 PHE B 553 8.975 4.355 -6.175 1.00 0.00 C ATOM 831 CE2 PHE B 553 9.028 6.056 -7.854 1.00 0.00 C ATOM 832 CZ PHE B 553 9.652 5.031 -7.172 1.00 0.00 C ATOM 0 H PHE B 553 3.208 6.589 -6.361 1.00 0.00 H new ATOM 0 HA PHE B 553 4.856 4.609 -7.533 1.00 0.00 H new ATOM 0 HB2 PHE B 553 5.368 7.034 -6.725 1.00 0.00 H new ATOM 0 HB3 PHE B 553 5.559 6.321 -5.135 1.00 0.00 H new ATOM 0 HD1 PHE B 553 7.148 4.174 -5.086 1.00 0.00 H new ATOM 0 HD2 PHE B 553 7.245 7.205 -8.078 1.00 0.00 H new ATOM 0 HE1 PHE B 553 9.461 3.554 -5.639 1.00 0.00 H new ATOM 0 HE2 PHE B 553 9.556 6.587 -8.633 1.00 0.00 H new ATOM 0 HZ PHE B 553 10.668 4.758 -7.417 1.00 0.00 H new ATOM 842 N GLY B 554 4.190 4.238 -4.308 1.00 0.00 N ATOM 843 CA GLY B 554 4.177 3.254 -3.242 1.00 0.00 C ATOM 844 C GLY B 554 3.020 2.282 -3.363 1.00 0.00 C ATOM 845 O GLY B 554 3.078 1.169 -2.842 1.00 0.00 O ATOM 0 H GLY B 554 3.842 5.160 -4.045 1.00 0.00 H new ATOM 0 HA2 GLY B 554 5.115 2.700 -3.252 1.00 0.00 H new ATOM 0 HA3 GLY B 554 4.119 3.765 -2.281 1.00 0.00 H new ATOM 849 N LEU B 555 1.966 2.704 -4.053 1.00 0.00 N ATOM 850 CA LEU B 555 0.789 1.864 -4.241 1.00 0.00 C ATOM 851 C LEU B 555 1.067 0.752 -5.246 1.00 0.00 C ATOM 852 O LEU B 555 0.737 -0.411 -5.011 1.00 0.00 O ATOM 853 CB LEU B 555 -0.395 2.709 -4.713 1.00 0.00 C ATOM 854 CG LEU B 555 -1.556 1.943 -5.350 1.00 0.00 C ATOM 855 CD1 LEU B 555 -2.151 0.955 -4.359 1.00 0.00 C ATOM 856 CD2 LEU B 555 -2.621 2.908 -5.850 1.00 0.00 C ATOM 0 H LEU B 555 1.903 3.623 -4.491 1.00 0.00 H new ATOM 0 HA LEU B 555 0.543 1.408 -3.282 1.00 0.00 H new ATOM 0 HB2 LEU B 555 -0.780 3.268 -3.860 1.00 0.00 H new ATOM 0 HB3 LEU B 555 -0.029 3.440 -5.434 1.00 0.00 H new ATOM 0 HG LEU B 555 -1.173 1.383 -6.203 1.00 0.00 H new ATOM 0 HD11 LEU B 555 -2.975 0.419 -4.830 1.00 0.00 H new ATOM 0 HD12 LEU B 555 -1.385 0.243 -4.050 1.00 0.00 H new ATOM 0 HD13 LEU B 555 -2.520 1.493 -3.486 1.00 0.00 H new ATOM 0 HD21 LEU B 555 -3.439 2.346 -6.300 1.00 0.00 H new ATOM 0 HD22 LEU B 555 -3.001 3.495 -5.014 1.00 0.00 H new ATOM 0 HD23 LEU B 555 -2.187 3.575 -6.595 1.00 0.00 H new ATOM 868 N LEU B 556 1.680 1.115 -6.367 1.00 0.00 N ATOM 869 CA LEU B 556 2.007 0.148 -7.410 1.00 0.00 C ATOM 870 C LEU B 556 3.140 -0.770 -6.964 1.00 0.00 C ATOM 871 O LEU B 556 3.024 -1.995 -7.033 1.00 0.00 O ATOM 872 CB LEU B 556 2.398 0.871 -8.699 1.00 0.00 C ATOM 873 CG LEU B 556 1.244 1.309 -9.601 1.00 0.00 C ATOM 874 CD1 LEU B 556 0.764 0.147 -10.456 1.00 0.00 C ATOM 875 CD2 LEU B 556 0.099 1.868 -8.768 1.00 0.00 C ATOM 0 H LEU B 556 1.961 2.073 -6.578 1.00 0.00 H new ATOM 0 HA LEU B 556 1.123 -0.461 -7.597 1.00 0.00 H new ATOM 0 HB2 LEU B 556 2.980 1.753 -8.434 1.00 0.00 H new ATOM 0 HB3 LEU B 556 3.054 0.217 -9.274 1.00 0.00 H new ATOM 0 HG LEU B 556 1.604 2.096 -10.263 1.00 0.00 H new ATOM 0 HD11 LEU B 556 -0.058 0.478 -11.091 1.00 0.00 H new ATOM 0 HD12 LEU B 556 1.584 -0.209 -11.079 1.00 0.00 H new ATOM 0 HD13 LEU B 556 0.421 -0.662 -9.811 1.00 0.00 H new ATOM 0 HD21 LEU B 556 -0.714 2.175 -9.426 1.00 0.00 H new ATOM 0 HD22 LEU B 556 -0.260 1.101 -8.082 1.00 0.00 H new ATOM 0 HD23 LEU B 556 0.450 2.729 -8.199 1.00 0.00 H new ATOM 887 N LEU B 557 4.234 -0.172 -6.506 1.00 0.00 N ATOM 888 CA LEU B 557 5.389 -0.937 -6.046 1.00 0.00 C ATOM 889 C LEU B 557 5.075 -1.666 -4.743 1.00 0.00 C ATOM 890 O LEU B 557 5.638 -2.722 -4.460 1.00 0.00 O ATOM 891 CB LEU B 557 6.591 -0.013 -5.850 1.00 0.00 C ATOM 892 CG LEU B 557 7.360 0.366 -7.116 1.00 0.00 C ATOM 893 CD1 LEU B 557 8.537 1.269 -6.777 1.00 0.00 C ATOM 894 CD2 LEU B 557 7.836 -0.883 -7.844 1.00 0.00 C ATOM 0 H LEU B 557 4.346 0.840 -6.443 1.00 0.00 H new ATOM 0 HA LEU B 557 5.629 -1.679 -6.807 1.00 0.00 H new ATOM 0 HB2 LEU B 557 6.245 0.903 -5.371 1.00 0.00 H new ATOM 0 HB3 LEU B 557 7.284 -0.493 -5.158 1.00 0.00 H new ATOM 0 HG LEU B 557 6.687 0.914 -7.776 1.00 0.00 H new ATOM 0 HD11 LEU B 557 9.072 1.528 -7.691 1.00 0.00 H new ATOM 0 HD12 LEU B 557 8.172 2.179 -6.300 1.00 0.00 H new ATOM 0 HD13 LEU B 557 9.211 0.748 -6.097 1.00 0.00 H new ATOM 0 HD21 LEU B 557 8.381 -0.595 -8.743 1.00 0.00 H new ATOM 0 HD22 LEU B 557 8.492 -1.458 -7.190 1.00 0.00 H new ATOM 0 HD23 LEU B 557 6.976 -1.492 -8.121 1.00 0.00 H new ATOM 906 N GLY B 558 4.170 -1.094 -3.954 1.00 0.00 N ATOM 907 CA GLY B 558 3.795 -1.704 -2.692 1.00 0.00 C ATOM 908 C GLY B 558 3.066 -3.020 -2.877 1.00 0.00 C ATOM 909 O GLY B 558 3.489 -4.050 -2.352 1.00 0.00 O ATOM 0 H GLY B 558 3.690 -0.219 -4.167 1.00 0.00 H new ATOM 0 HA2 GLY B 558 4.690 -1.869 -2.092 1.00 0.00 H new ATOM 0 HA3 GLY B 558 3.160 -1.016 -2.134 1.00 0.00 H new ATOM 913 N ALA B 559 1.969 -2.987 -3.625 1.00 0.00 N ATOM 914 CA ALA B 559 1.179 -4.185 -3.879 1.00 0.00 C ATOM 915 C ALA B 559 1.946 -5.171 -4.755 1.00 0.00 C ATOM 916 O ALA B 559 1.932 -6.376 -4.507 1.00 0.00 O ATOM 917 CB ALA B 559 -0.146 -3.817 -4.529 1.00 0.00 C ATOM 0 H ALA B 559 1.606 -2.142 -4.067 1.00 0.00 H new ATOM 0 HA ALA B 559 0.978 -4.668 -2.923 1.00 0.00 H new ATOM 0 HB1 ALA B 559 -0.725 -4.722 -4.713 1.00 0.00 H new ATOM 0 HB2 ALA B 559 -0.705 -3.157 -3.866 1.00 0.00 H new ATOM 0 HB3 ALA B 559 0.041 -3.308 -5.475 1.00 0.00 H new ATOM 923 N ALA B 560 2.611 -4.651 -5.780 1.00 0.00 N ATOM 924 CA ALA B 560 3.383 -5.485 -6.692 1.00 0.00 C ATOM 925 C ALA B 560 4.357 -6.377 -5.929 1.00 0.00 C ATOM 926 O ALA B 560 4.295 -7.604 -6.023 1.00 0.00 O ATOM 927 CB ALA B 560 4.132 -4.619 -7.694 1.00 0.00 C ATOM 0 H ALA B 560 2.631 -3.655 -6.000 1.00 0.00 H new ATOM 0 HA ALA B 560 2.688 -6.128 -7.232 1.00 0.00 H new ATOM 0 HB1 ALA B 560 4.704 -5.256 -8.369 1.00 0.00 H new ATOM 0 HB2 ALA B 560 3.419 -4.029 -8.269 1.00 0.00 H new ATOM 0 HB3 ALA B 560 4.810 -3.951 -7.163 1.00 0.00 H new ATOM 933 N LEU B 561 5.256 -5.754 -5.175 1.00 0.00 N ATOM 934 CA LEU B 561 6.244 -6.493 -4.395 1.00 0.00 C ATOM 935 C LEU B 561 5.564 -7.456 -3.427 1.00 0.00 C ATOM 936 O LEU B 561 5.972 -8.609 -3.294 1.00 0.00 O ATOM 937 CB LEU B 561 7.140 -5.523 -3.623 1.00 0.00 C ATOM 938 CG LEU B 561 8.436 -6.109 -3.063 1.00 0.00 C ATOM 939 CD1 LEU B 561 9.317 -6.627 -4.189 1.00 0.00 C ATOM 940 CD2 LEU B 561 9.180 -5.068 -2.238 1.00 0.00 C ATOM 0 H LEU B 561 5.322 -4.740 -5.087 1.00 0.00 H new ATOM 0 HA LEU B 561 6.856 -7.074 -5.085 1.00 0.00 H new ATOM 0 HB2 LEU B 561 7.395 -4.693 -4.281 1.00 0.00 H new ATOM 0 HB3 LEU B 561 6.565 -5.108 -2.795 1.00 0.00 H new ATOM 0 HG LEU B 561 8.182 -6.946 -2.412 1.00 0.00 H new ATOM 0 HD11 LEU B 561 10.235 -7.040 -3.772 1.00 0.00 H new ATOM 0 HD12 LEU B 561 8.786 -7.404 -4.738 1.00 0.00 H new ATOM 0 HD13 LEU B 561 9.562 -5.808 -4.865 1.00 0.00 H new ATOM 0 HD21 LEU B 561 10.100 -5.503 -1.847 1.00 0.00 H new ATOM 0 HD22 LEU B 561 9.422 -4.211 -2.866 1.00 0.00 H new ATOM 0 HD23 LEU B 561 8.551 -4.744 -1.409 1.00 0.00 H new ATOM 952 N LEU B 562 4.524 -6.975 -2.754 1.00 0.00 N ATOM 953 CA LEU B 562 3.786 -7.794 -1.800 1.00 0.00 C ATOM 954 C LEU B 562 3.323 -9.097 -2.444 1.00 0.00 C ATOM 955 O LEU B 562 3.694 -10.186 -2.004 1.00 0.00 O ATOM 956 CB LEU B 562 2.581 -7.022 -1.261 1.00 0.00 C ATOM 957 CG LEU B 562 1.645 -7.799 -0.334 1.00 0.00 C ATOM 958 CD1 LEU B 562 2.067 -7.629 1.117 1.00 0.00 C ATOM 959 CD2 LEU B 562 0.205 -7.349 -0.530 1.00 0.00 C ATOM 0 H LEU B 562 4.173 -6.022 -2.852 1.00 0.00 H new ATOM 0 HA LEU B 562 4.454 -8.036 -0.974 1.00 0.00 H new ATOM 0 HB2 LEU B 562 2.946 -6.146 -0.724 1.00 0.00 H new ATOM 0 HB3 LEU B 562 2.000 -6.657 -2.108 1.00 0.00 H new ATOM 0 HG LEU B 562 1.711 -8.857 -0.587 1.00 0.00 H new ATOM 0 HD11 LEU B 562 1.389 -8.189 1.761 1.00 0.00 H new ATOM 0 HD12 LEU B 562 3.083 -8.003 1.247 1.00 0.00 H new ATOM 0 HD13 LEU B 562 2.032 -6.573 1.385 1.00 0.00 H new ATOM 0 HD21 LEU B 562 -0.446 -7.913 0.138 1.00 0.00 H new ATOM 0 HD22 LEU B 562 0.122 -6.286 -0.305 1.00 0.00 H new ATOM 0 HD23 LEU B 562 -0.094 -7.526 -1.563 1.00 0.00 H new