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= -1.09 USER MOD Single : B 544 THR OG1 : rot 180:sc= -1.13 USER MOD ----------------------------------------------------------------- ATOM 98 N LEU A 543 11.742 16.069 -3.653 1.00 0.00 N ATOM 99 CA LEU A 543 11.302 15.452 -2.407 1.00 0.00 C ATOM 100 C LEU A 543 10.602 16.470 -1.512 1.00 0.00 C ATOM 101 O LEU A 543 11.175 17.502 -1.160 1.00 0.00 O ATOM 102 CB LEU A 543 12.494 14.842 -1.668 1.00 0.00 C ATOM 103 CG LEU A 543 12.168 14.063 -0.393 1.00 0.00 C ATOM 104 CD1 LEU A 543 11.900 15.017 0.761 1.00 0.00 C ATOM 105 CD2 LEU A 543 10.972 13.148 -0.619 1.00 0.00 C ATOM 0 HA LEU A 543 10.592 14.663 -2.653 1.00 0.00 H new ATOM 0 HB2 LEU A 543 13.018 14.175 -2.353 1.00 0.00 H new ATOM 0 HB3 LEU A 543 13.186 15.644 -1.412 1.00 0.00 H new ATOM 0 HG LEU A 543 13.029 13.447 -0.136 1.00 0.00 H new ATOM 0 HD11 LEU A 543 11.670 14.445 1.660 1.00 0.00 H new ATOM 0 HD12 LEU A 543 12.783 15.631 0.938 1.00 0.00 H new ATOM 0 HD13 LEU A 543 11.055 15.659 0.513 1.00 0.00 H new ATOM 0 HD21 LEU A 543 10.754 12.601 0.298 1.00 0.00 H new ATOM 0 HD22 LEU A 543 10.105 13.745 -0.900 1.00 0.00 H new ATOM 0 HD23 LEU A 543 11.200 12.441 -1.417 1.00 0.00 H new ATOM 117 N THR A 544 9.358 16.173 -1.147 1.00 0.00 N ATOM 118 CA THR A 544 8.580 17.062 -0.292 1.00 0.00 C ATOM 119 C THR A 544 7.741 16.270 0.704 1.00 0.00 C ATOM 120 O THR A 544 7.477 15.084 0.505 1.00 0.00 O ATOM 121 CB THR A 544 7.652 17.968 -1.123 1.00 0.00 C ATOM 122 OG1 THR A 544 6.333 17.412 -1.165 1.00 0.00 O ATOM 123 CG2 THR A 544 8.183 18.135 -2.539 1.00 0.00 C ATOM 0 H THR A 544 8.868 15.324 -1.430 1.00 0.00 H new ATOM 0 HA THR A 544 9.292 17.684 0.251 1.00 0.00 H new ATOM 0 HB THR A 544 7.618 18.948 -0.647 1.00 0.00 H new ATOM 0 HG1 THR A 544 6.020 17.381 -2.093 1.00 0.00 H new ATOM 0 HG21 THR A 544 7.511 18.779 -3.106 1.00 0.00 H new ATOM 0 HG22 THR A 544 9.175 18.586 -2.505 1.00 0.00 H new ATOM 0 HG23 THR A 544 8.245 17.160 -3.022 1.00 0.00 H new ATOM 131 N GLY A 545 7.322 16.934 1.777 1.00 0.00 N ATOM 132 CA GLY A 545 6.515 16.276 2.788 1.00 0.00 C ATOM 133 C GLY A 545 5.326 15.545 2.196 1.00 0.00 C ATOM 134 O GLY A 545 5.044 14.405 2.560 1.00 0.00 O ATOM 0 H GLY A 545 7.527 17.916 1.964 1.00 0.00 H new ATOM 0 HA2 GLY A 545 7.135 15.569 3.339 1.00 0.00 H new ATOM 0 HA3 GLY A 545 6.162 17.017 3.505 1.00 0.00 H new ATOM 138 N GLY A 546 4.624 16.206 1.279 1.00 0.00 N ATOM 139 CA GLY A 546 3.465 15.597 0.652 1.00 0.00 C ATOM 140 C GLY A 546 3.818 14.344 -0.126 1.00 0.00 C ATOM 141 O GLY A 546 3.015 13.416 -0.215 1.00 0.00 O ATOM 0 H GLY A 546 4.837 17.151 0.960 1.00 0.00 H new ATOM 0 HA2 GLY A 546 2.729 15.350 1.417 1.00 0.00 H new ATOM 0 HA3 GLY A 546 2.998 16.318 -0.019 1.00 0.00 H new ATOM 145 N GLU A 547 5.021 14.319 -0.691 1.00 0.00 N ATOM 146 CA GLU A 547 5.476 13.172 -1.466 1.00 0.00 C ATOM 147 C GLU A 547 5.690 11.957 -0.567 1.00 0.00 C ATOM 148 O GLU A 547 5.338 10.835 -0.929 1.00 0.00 O ATOM 149 CB GLU A 547 6.773 13.509 -2.204 1.00 0.00 C ATOM 150 CG GLU A 547 6.776 14.894 -2.828 1.00 0.00 C ATOM 151 CD GLU A 547 7.608 14.962 -4.094 1.00 0.00 C ATOM 152 OE1 GLU A 547 8.830 15.197 -3.988 1.00 0.00 O ATOM 153 OE2 GLU A 547 7.038 14.782 -5.189 1.00 0.00 O ATOM 0 H GLU A 547 5.697 15.080 -0.626 1.00 0.00 H new ATOM 0 HA GLU A 547 4.703 12.930 -2.196 1.00 0.00 H new ATOM 0 HB2 GLU A 547 7.608 13.432 -1.508 1.00 0.00 H new ATOM 0 HB3 GLU A 547 6.940 12.767 -2.985 1.00 0.00 H new ATOM 0 HG2 GLU A 547 5.751 15.188 -3.055 1.00 0.00 H new ATOM 0 HG3 GLU A 547 7.162 15.613 -2.105 1.00 0.00 H new ATOM 160 N ILE A 548 6.271 12.192 0.605 1.00 0.00 N ATOM 161 CA ILE A 548 6.531 11.118 1.556 1.00 0.00 C ATOM 162 C ILE A 548 5.231 10.533 2.095 1.00 0.00 C ATOM 163 O ILE A 548 4.993 9.329 2.004 1.00 0.00 O ATOM 164 CB ILE A 548 7.389 11.608 2.737 1.00 0.00 C ATOM 165 CG1 ILE A 548 8.823 11.880 2.276 1.00 0.00 C ATOM 166 CG2 ILE A 548 7.374 10.585 3.862 1.00 0.00 C ATOM 167 CD1 ILE A 548 9.128 13.350 2.089 1.00 0.00 C ATOM 0 H ILE A 548 6.570 13.115 0.918 1.00 0.00 H new ATOM 0 HA ILE A 548 7.077 10.345 1.016 1.00 0.00 H new ATOM 0 HB ILE A 548 6.966 12.539 3.113 1.00 0.00 H new ATOM 0 HG12 ILE A 548 9.516 11.463 3.007 1.00 0.00 H new ATOM 0 HG13 ILE A 548 8.999 11.358 1.335 1.00 0.00 H new ATOM 0 HG21 ILE A 548 7.985 10.945 4.690 1.00 0.00 H new ATOM 0 HG22 ILE A 548 6.350 10.436 4.205 1.00 0.00 H new ATOM 0 HG23 ILE A 548 7.776 9.639 3.499 1.00 0.00 H new ATOM 0 HD11 ILE A 548 10.161 13.469 1.762 1.00 0.00 H new ATOM 0 HD12 ILE A 548 8.459 13.768 1.337 1.00 0.00 H new ATOM 0 HD13 ILE A 548 8.984 13.874 3.034 1.00 0.00 H new ATOM 179 N VAL A 549 4.388 11.395 2.657 1.00 0.00 N ATOM 180 CA VAL A 549 3.109 10.967 3.209 1.00 0.00 C ATOM 181 C VAL A 549 2.252 10.288 2.146 1.00 0.00 C ATOM 182 O VAL A 549 1.459 9.397 2.448 1.00 0.00 O ATOM 183 CB VAL A 549 2.327 12.153 3.803 1.00 0.00 C ATOM 184 CG1 VAL A 549 3.243 13.027 4.645 1.00 0.00 C ATOM 185 CG2 VAL A 549 1.669 12.964 2.697 1.00 0.00 C ATOM 0 H VAL A 549 4.569 12.395 2.741 1.00 0.00 H new ATOM 0 HA VAL A 549 3.330 10.255 4.004 1.00 0.00 H new ATOM 0 HB VAL A 549 1.542 11.762 4.450 1.00 0.00 H new ATOM 0 HG11 VAL A 549 2.673 13.860 5.057 1.00 0.00 H new ATOM 0 HG12 VAL A 549 3.662 12.436 5.459 1.00 0.00 H new ATOM 0 HG13 VAL A 549 4.051 13.412 4.023 1.00 0.00 H new ATOM 0 HG21 VAL A 549 1.121 13.798 3.135 1.00 0.00 H new ATOM 0 HG22 VAL A 549 2.434 13.347 2.022 1.00 0.00 H new ATOM 0 HG23 VAL A 549 0.980 12.329 2.141 1.00 0.00 H new ATOM 195 N ALA A 550 2.417 10.717 0.898 1.00 0.00 N ATOM 196 CA ALA A 550 1.660 10.150 -0.211 1.00 0.00 C ATOM 197 C ALA A 550 2.080 8.709 -0.481 1.00 0.00 C ATOM 198 O ALA A 550 1.238 7.819 -0.607 1.00 0.00 O ATOM 199 CB ALA A 550 1.840 10.998 -1.461 1.00 0.00 C ATOM 0 H ALA A 550 3.068 11.455 0.631 1.00 0.00 H new ATOM 0 HA ALA A 550 0.605 10.148 0.064 1.00 0.00 H new ATOM 0 HB1 ALA A 550 1.269 10.563 -2.281 1.00 0.00 H new ATOM 0 HB2 ALA A 550 1.484 12.010 -1.268 1.00 0.00 H new ATOM 0 HB3 ALA A 550 2.896 11.030 -1.730 1.00 0.00 H new ATOM 205 N VAL A 551 3.386 8.486 -0.573 1.00 0.00 N ATOM 206 CA VAL A 551 3.918 7.152 -0.829 1.00 0.00 C ATOM 207 C VAL A 551 3.474 6.168 0.246 1.00 0.00 C ATOM 208 O VAL A 551 3.000 5.073 -0.056 1.00 0.00 O ATOM 209 CB VAL A 551 5.456 7.165 -0.896 1.00 0.00 C ATOM 210 CG1 VAL A 551 6.002 5.744 -0.925 1.00 0.00 C ATOM 211 CG2 VAL A 551 5.932 7.952 -2.108 1.00 0.00 C ATOM 0 H VAL A 551 4.096 9.211 -0.474 1.00 0.00 H new ATOM 0 HA VAL A 551 3.523 6.833 -1.794 1.00 0.00 H new ATOM 0 HB VAL A 551 5.836 7.657 -0.001 1.00 0.00 H new ATOM 0 HG11 VAL A 551 7.091 5.773 -0.972 1.00 0.00 H new ATOM 0 HG12 VAL A 551 5.692 5.217 -0.023 1.00 0.00 H new ATOM 0 HG13 VAL A 551 5.615 5.223 -1.801 1.00 0.00 H new ATOM 0 HG21 VAL A 551 7.022 7.950 -2.138 1.00 0.00 H new ATOM 0 HG22 VAL A 551 5.543 7.492 -3.016 1.00 0.00 H new ATOM 0 HG23 VAL A 551 5.573 8.979 -2.039 1.00 0.00 H new ATOM 221 N ILE A 552 3.632 6.565 1.505 1.00 0.00 N ATOM 222 CA ILE A 552 3.247 5.717 2.627 1.00 0.00 C ATOM 223 C ILE A 552 1.740 5.485 2.647 1.00 0.00 C ATOM 224 O ILE A 552 1.269 4.438 3.091 1.00 0.00 O ATOM 225 CB ILE A 552 3.678 6.332 3.972 1.00 0.00 C ATOM 226 CG1 ILE A 552 3.267 5.421 5.129 1.00 0.00 C ATOM 227 CG2 ILE A 552 3.072 7.718 4.139 1.00 0.00 C ATOM 228 CD1 ILE A 552 3.723 5.920 6.483 1.00 0.00 C ATOM 0 H ILE A 552 4.024 7.468 1.773 1.00 0.00 H new ATOM 0 HA ILE A 552 3.758 4.764 2.493 1.00 0.00 H new ATOM 0 HB ILE A 552 4.764 6.429 3.980 1.00 0.00 H new ATOM 0 HG12 ILE A 552 2.182 5.321 5.134 1.00 0.00 H new ATOM 0 HG13 ILE A 552 3.678 4.426 4.960 1.00 0.00 H new ATOM 0 HG21 ILE A 552 3.386 8.140 5.094 1.00 0.00 H new ATOM 0 HG22 ILE A 552 3.411 8.363 3.329 1.00 0.00 H new ATOM 0 HG23 ILE A 552 1.985 7.645 4.114 1.00 0.00 H new ATOM 0 HD11 ILE A 552 3.396 5.224 7.256 1.00 0.00 H new ATOM 0 HD12 ILE A 552 4.810 5.993 6.497 1.00 0.00 H new ATOM 0 HD13 ILE A 552 3.291 6.903 6.673 1.00 0.00 H new ATOM 240 N PHE A 553 0.989 6.467 2.162 1.00 0.00 N ATOM 241 CA PHE A 553 -0.467 6.369 2.123 1.00 0.00 C ATOM 242 C PHE A 553 -0.911 5.246 1.191 1.00 0.00 C ATOM 243 O PHE A 553 -1.694 4.379 1.577 1.00 0.00 O ATOM 244 CB PHE A 553 -1.075 7.696 1.667 1.00 0.00 C ATOM 245 CG PHE A 553 -2.521 7.853 2.042 1.00 0.00 C ATOM 246 CD1 PHE A 553 -3.482 7.002 1.522 1.00 0.00 C ATOM 247 CD2 PHE A 553 -2.919 8.851 2.917 1.00 0.00 C ATOM 248 CE1 PHE A 553 -4.813 7.144 1.865 1.00 0.00 C ATOM 249 CE2 PHE A 553 -4.249 8.998 3.264 1.00 0.00 C ATOM 250 CZ PHE A 553 -5.197 8.143 2.738 1.00 0.00 C ATOM 0 H PHE A 553 1.363 7.340 1.790 1.00 0.00 H new ATOM 0 HA PHE A 553 -0.819 6.142 3.129 1.00 0.00 H new ATOM 0 HB2 PHE A 553 -0.504 8.516 2.102 1.00 0.00 H new ATOM 0 HB3 PHE A 553 -0.978 7.778 0.584 1.00 0.00 H new ATOM 0 HD1 PHE A 553 -3.188 6.218 0.840 1.00 0.00 H new ATOM 0 HD2 PHE A 553 -2.182 9.522 3.333 1.00 0.00 H new ATOM 0 HE1 PHE A 553 -5.552 6.474 1.451 1.00 0.00 H new ATOM 0 HE2 PHE A 553 -4.546 9.781 3.946 1.00 0.00 H new ATOM 0 HZ PHE A 553 -6.237 8.255 3.009 1.00 0.00 H new ATOM 260 N GLY A 554 -0.406 5.269 -0.038 1.00 0.00 N ATOM 261 CA GLY A 554 -0.762 4.248 -1.007 1.00 0.00 C ATOM 262 C GLY A 554 -0.050 2.935 -0.752 1.00 0.00 C ATOM 263 O GLY A 554 -0.565 1.866 -1.086 1.00 0.00 O ATOM 0 H GLY A 554 0.244 5.977 -0.381 1.00 0.00 H new ATOM 0 HA2 GLY A 554 -1.839 4.085 -0.980 1.00 0.00 H new ATOM 0 HA3 GLY A 554 -0.519 4.601 -2.009 1.00 0.00 H new ATOM 267 N LEU A 555 1.138 3.011 -0.164 1.00 0.00 N ATOM 268 CA LEU A 555 1.924 1.819 0.133 1.00 0.00 C ATOM 269 C LEU A 555 1.307 1.034 1.287 1.00 0.00 C ATOM 270 O LEU A 555 1.260 -0.197 1.258 1.00 0.00 O ATOM 271 CB LEU A 555 3.364 2.205 0.477 1.00 0.00 C ATOM 272 CG LEU A 555 4.179 1.153 1.230 1.00 0.00 C ATOM 273 CD1 LEU A 555 4.316 -0.113 0.399 1.00 0.00 C ATOM 274 CD2 LEU A 555 5.549 1.703 1.597 1.00 0.00 C ATOM 0 H LEU A 555 1.579 3.887 0.117 1.00 0.00 H new ATOM 0 HA LEU A 555 1.926 1.186 -0.754 1.00 0.00 H new ATOM 0 HB2 LEU A 555 3.886 2.445 -0.449 1.00 0.00 H new ATOM 0 HB3 LEU A 555 3.342 3.116 1.076 1.00 0.00 H new ATOM 0 HG LEU A 555 3.651 0.903 2.150 1.00 0.00 H new ATOM 0 HD11 LEU A 555 4.899 -0.850 0.952 1.00 0.00 H new ATOM 0 HD12 LEU A 555 3.326 -0.518 0.187 1.00 0.00 H new ATOM 0 HD13 LEU A 555 4.821 0.120 -0.539 1.00 0.00 H new ATOM 0 HD21 LEU A 555 6.115 0.941 2.132 1.00 0.00 H new ATOM 0 HD22 LEU A 555 6.084 1.982 0.689 1.00 0.00 H new ATOM 0 HD23 LEU A 555 5.430 2.580 2.233 1.00 0.00 H new ATOM 286 N LEU A 556 0.832 1.752 2.298 1.00 0.00 N ATOM 287 CA LEU A 556 0.216 1.124 3.460 1.00 0.00 C ATOM 288 C LEU A 556 -1.156 0.555 3.109 1.00 0.00 C ATOM 289 O LEU A 556 -1.409 -0.637 3.285 1.00 0.00 O ATOM 290 CB LEU A 556 0.085 2.133 4.602 1.00 0.00 C ATOM 291 CG LEU A 556 1.349 2.386 5.423 1.00 0.00 C ATOM 292 CD1 LEU A 556 1.086 3.422 6.504 1.00 0.00 C ATOM 293 CD2 LEU A 556 1.855 1.088 6.037 1.00 0.00 C ATOM 0 H LEU A 556 0.862 2.771 2.336 1.00 0.00 H new ATOM 0 HA LEU A 556 0.858 0.304 3.781 1.00 0.00 H new ATOM 0 HB2 LEU A 556 -0.249 3.083 4.184 1.00 0.00 H new ATOM 0 HB3 LEU A 556 -0.699 1.788 5.276 1.00 0.00 H new ATOM 0 HG LEU A 556 2.119 2.774 4.757 1.00 0.00 H new ATOM 0 HD11 LEU A 556 1.998 3.589 7.078 1.00 0.00 H new ATOM 0 HD12 LEU A 556 0.772 4.358 6.042 1.00 0.00 H new ATOM 0 HD13 LEU A 556 0.300 3.063 7.168 1.00 0.00 H new ATOM 0 HD21 LEU A 556 2.755 1.287 6.618 1.00 0.00 H new ATOM 0 HD22 LEU A 556 1.088 0.670 6.689 1.00 0.00 H new ATOM 0 HD23 LEU A 556 2.085 0.376 5.244 1.00 0.00 H new ATOM 305 N LEU A 557 -2.035 1.416 2.609 1.00 0.00 N ATOM 306 CA LEU A 557 -3.382 1.000 2.230 1.00 0.00 C ATOM 307 C LEU A 557 -3.342 0.057 1.031 1.00 0.00 C ATOM 308 O LEU A 557 -4.240 -0.762 0.843 1.00 0.00 O ATOM 309 CB LEU A 557 -4.242 2.222 1.903 1.00 0.00 C ATOM 310 CG LEU A 557 -4.827 2.970 3.102 1.00 0.00 C ATOM 311 CD1 LEU A 557 -5.644 4.165 2.638 1.00 0.00 C ATOM 312 CD2 LEU A 557 -5.677 2.036 3.951 1.00 0.00 C ATOM 0 H LEU A 557 -1.840 2.406 2.456 1.00 0.00 H new ATOM 0 HA LEU A 557 -3.823 0.469 3.074 1.00 0.00 H new ATOM 0 HB2 LEU A 557 -3.640 2.921 1.323 1.00 0.00 H new ATOM 0 HB3 LEU A 557 -5.064 1.902 1.263 1.00 0.00 H new ATOM 0 HG LEU A 557 -4.003 3.336 3.715 1.00 0.00 H new ATOM 0 HD11 LEU A 557 -6.052 4.685 3.505 1.00 0.00 H new ATOM 0 HD12 LEU A 557 -5.006 4.845 2.074 1.00 0.00 H new ATOM 0 HD13 LEU A 557 -6.461 3.823 2.002 1.00 0.00 H new ATOM 0 HD21 LEU A 557 -6.085 2.586 4.799 1.00 0.00 H new ATOM 0 HD22 LEU A 557 -6.494 1.640 3.349 1.00 0.00 H new ATOM 0 HD23 LEU A 557 -5.061 1.213 4.314 1.00 0.00 H new ATOM 324 N GLY A 558 -2.293 0.179 0.222 1.00 0.00 N ATOM 325 CA GLY A 558 -2.156 -0.670 -0.946 1.00 0.00 C ATOM 326 C GLY A 558 -1.881 -2.116 -0.584 1.00 0.00 C ATOM 327 O GLY A 558 -2.626 -3.014 -0.976 1.00 0.00 O ATOM 0 H GLY A 558 -1.537 0.850 0.355 1.00 0.00 H new ATOM 0 HA2 GLY A 558 -3.068 -0.615 -1.540 1.00 0.00 H new ATOM 0 HA3 GLY A 558 -1.345 -0.295 -1.571 1.00 0.00 H new ATOM 331 N ALA A 559 -0.807 -2.343 0.165 1.00 0.00 N ATOM 332 CA ALA A 559 -0.436 -3.691 0.581 1.00 0.00 C ATOM 333 C ALA A 559 -1.434 -4.248 1.590 1.00 0.00 C ATOM 334 O ALA A 559 -1.820 -5.414 1.516 1.00 0.00 O ATOM 335 CB ALA A 559 0.969 -3.694 1.167 1.00 0.00 C ATOM 0 H ALA A 559 -0.178 -1.611 0.496 1.00 0.00 H new ATOM 0 HA ALA A 559 -0.452 -4.334 -0.299 1.00 0.00 H new ATOM 0 HB1 ALA A 559 1.233 -4.706 1.473 1.00 0.00 H new ATOM 0 HB2 ALA A 559 1.677 -3.346 0.415 1.00 0.00 H new ATOM 0 HB3 ALA A 559 1.004 -3.032 2.032 1.00 0.00 H new ATOM 341 N ALA A 560 -1.847 -3.407 2.533 1.00 0.00 N ATOM 342 CA ALA A 560 -2.801 -3.816 3.556 1.00 0.00 C ATOM 343 C ALA A 560 -4.077 -4.367 2.929 1.00 0.00 C ATOM 344 O ALA A 560 -4.446 -5.520 3.156 1.00 0.00 O ATOM 345 CB ALA A 560 -3.124 -2.647 4.474 1.00 0.00 C ATOM 0 H ALA A 560 -1.536 -2.439 2.609 1.00 0.00 H new ATOM 0 HA ALA A 560 -2.345 -4.611 4.145 1.00 0.00 H new ATOM 0 HB1 ALA A 560 -3.838 -2.967 5.233 1.00 0.00 H new ATOM 0 HB2 ALA A 560 -2.211 -2.301 4.958 1.00 0.00 H new ATOM 0 HB3 ALA A 560 -3.556 -1.834 3.890 1.00 0.00 H new ATOM 351 N LEU A 561 -4.749 -3.536 2.139 1.00 0.00 N ATOM 352 CA LEU A 561 -5.985 -3.940 1.477 1.00 0.00 C ATOM 353 C LEU A 561 -5.757 -5.163 0.595 1.00 0.00 C ATOM 354 O LEU A 561 -6.595 -6.063 0.533 1.00 0.00 O ATOM 355 CB LEU A 561 -6.538 -2.787 0.638 1.00 0.00 C ATOM 356 CG LEU A 561 -7.999 -2.913 0.204 1.00 0.00 C ATOM 357 CD1 LEU A 561 -8.911 -3.002 1.418 1.00 0.00 C ATOM 358 CD2 LEU A 561 -8.396 -1.739 -0.679 1.00 0.00 C ATOM 0 H LEU A 561 -4.459 -2.578 1.941 1.00 0.00 H new ATOM 0 HA LEU A 561 -6.711 -4.202 2.247 1.00 0.00 H new ATOM 0 HB2 LEU A 561 -6.427 -1.864 1.207 1.00 0.00 H new ATOM 0 HB3 LEU A 561 -5.922 -2.686 -0.255 1.00 0.00 H new ATOM 0 HG LEU A 561 -8.108 -3.830 -0.375 1.00 0.00 H new ATOM 0 HD11 LEU A 561 -9.946 -3.091 1.089 1.00 0.00 H new ATOM 0 HD12 LEU A 561 -8.642 -3.876 2.012 1.00 0.00 H new ATOM 0 HD13 LEU A 561 -8.799 -2.103 2.024 1.00 0.00 H new ATOM 0 HD21 LEU A 561 -9.439 -1.845 -0.978 1.00 0.00 H new ATOM 0 HD22 LEU A 561 -8.270 -0.809 -0.125 1.00 0.00 H new ATOM 0 HD23 LEU A 561 -7.764 -1.721 -1.567 1.00 0.00 H new ATOM 370 N LEU A 562 -4.616 -5.189 -0.086 1.00 0.00 N ATOM 371 CA LEU A 562 -4.276 -6.303 -0.966 1.00 0.00 C ATOM 372 C LEU A 562 -4.265 -7.619 -0.195 1.00 0.00 C ATOM 373 O LEU A 562 -4.877 -8.602 -0.617 1.00 0.00 O ATOM 374 CB LEU A 562 -2.911 -6.067 -1.614 1.00 0.00 C ATOM 375 CG LEU A 562 -2.372 -7.208 -2.478 1.00 0.00 C ATOM 376 CD1 LEU A 562 -2.752 -6.999 -3.936 1.00 0.00 C ATOM 377 CD2 LEU A 562 -0.862 -7.322 -2.330 1.00 0.00 C ATOM 0 H LEU A 562 -3.911 -4.453 -0.046 1.00 0.00 H new ATOM 0 HA LEU A 562 -5.035 -6.365 -1.746 1.00 0.00 H new ATOM 0 HB2 LEU A 562 -2.974 -5.170 -2.230 1.00 0.00 H new ATOM 0 HB3 LEU A 562 -2.187 -5.862 -0.825 1.00 0.00 H new ATOM 0 HG LEU A 562 -2.822 -8.140 -2.136 1.00 0.00 H new ATOM 0 HD11 LEU A 562 -2.360 -7.821 -4.536 1.00 0.00 H new ATOM 0 HD12 LEU A 562 -3.838 -6.968 -4.028 1.00 0.00 H new ATOM 0 HD13 LEU A 562 -2.331 -6.058 -4.290 1.00 0.00 H new ATOM 0 HD21 LEU A 562 -0.496 -8.139 -2.952 1.00 0.00 H new ATOM 0 HD22 LEU A 562 -0.394 -6.389 -2.644 1.00 0.00 H new ATOM 0 HD23 LEU A 562 -0.612 -7.520 -1.288 1.00 0.00 H new ATOM 389 N LEU A 563 -3.567 -7.632 0.935 1.00 0.00 N ATOM 390 CA LEU A 563 -3.478 -8.829 1.765 1.00 0.00 C ATOM 391 C LEU A 563 -4.863 -9.283 2.216 1.00 0.00 C ATOM 392 O LEU A 563 -5.210 -10.457 2.101 1.00 0.00 O ATOM 393 CB LEU A 563 -2.595 -8.561 2.985 1.00 0.00 C ATOM 394 CG LEU A 563 -2.020 -9.796 3.680 1.00 0.00 C ATOM 395 CD1 LEU A 563 -0.551 -9.971 3.328 1.00 0.00 C ATOM 396 CD2 LEU A 563 -2.200 -9.691 5.188 1.00 0.00 C ATOM 0 H LEU A 563 -3.055 -6.828 1.298 1.00 0.00 H new ATOM 0 HA LEU A 563 -3.032 -9.624 1.168 1.00 0.00 H new ATOM 0 HB2 LEU A 563 -1.767 -7.923 2.676 1.00 0.00 H new ATOM 0 HB3 LEU A 563 -3.177 -7.997 3.713 1.00 0.00 H new ATOM 0 HG LEU A 563 -2.564 -10.673 3.329 1.00 0.00 H new ATOM 0 HD11 LEU A 563 -0.159 -10.855 3.832 1.00 0.00 H new ATOM 0 HD12 LEU A 563 -0.447 -10.092 2.250 1.00 0.00 H new ATOM 0 HD13 LEU A 563 0.008 -9.092 3.650 1.00 0.00 H new ATOM 0 HD21 LEU A 563 -1.785 -10.578 5.667 1.00 0.00 H new ATOM 0 HD22 LEU A 563 -1.682 -8.805 5.555 1.00 0.00 H new ATOM 0 HD23 LEU A 563 -3.262 -9.615 5.423 1.00 0.00 H new ATOM 408 N GLY A 564 -5.652 -8.342 2.728 1.00 0.00 N ATOM 409 CA GLY A 564 -6.991 -8.666 3.186 1.00 0.00 C ATOM 410 C GLY A 564 -7.808 -9.382 2.129 1.00 0.00 C ATOM 411 O GLY A 564 -8.208 -10.531 2.318 1.00 0.00 O ATOM 0 H GLY A 564 -5.388 -7.362 2.834 1.00 0.00 H new ATOM 0 HA2 GLY A 564 -6.926 -9.292 4.076 1.00 0.00 H new ATOM 0 HA3 GLY A 564 -7.504 -7.749 3.478 1.00 0.00 H new ATOM 673 N GLY B 542 -3.650 20.984 -0.496 1.00 0.00 N ATOM 674 CA GLY B 542 -3.724 19.619 -0.012 1.00 0.00 C ATOM 675 C GLY B 542 -3.624 18.600 -1.131 1.00 0.00 C ATOM 676 O GLY B 542 -3.980 17.435 -0.954 1.00 0.00 O ATOM 0 HA2 GLY B 542 -2.921 19.447 0.705 1.00 0.00 H new ATOM 0 HA3 GLY B 542 -4.664 19.477 0.522 1.00 0.00 H new ATOM 680 N LEU B 543 -3.140 19.040 -2.287 1.00 0.00 N ATOM 681 CA LEU B 543 -2.995 18.158 -3.440 1.00 0.00 C ATOM 682 C LEU B 543 -1.989 18.726 -4.437 1.00 0.00 C ATOM 683 O LEU B 543 -2.144 19.846 -4.924 1.00 0.00 O ATOM 684 CB LEU B 543 -4.348 17.956 -4.125 1.00 0.00 C ATOM 685 CG LEU B 543 -4.369 16.964 -5.288 1.00 0.00 C ATOM 686 CD1 LEU B 543 -3.792 17.599 -6.544 1.00 0.00 C ATOM 687 CD2 LEU B 543 -3.602 15.700 -4.926 1.00 0.00 C ATOM 0 H LEU B 543 -2.841 20.001 -2.451 1.00 0.00 H new ATOM 0 HA LEU B 543 -2.625 17.196 -3.086 1.00 0.00 H new ATOM 0 HB2 LEU B 543 -5.066 17.622 -3.376 1.00 0.00 H new ATOM 0 HB3 LEU B 543 -4.695 18.922 -4.491 1.00 0.00 H new ATOM 0 HG LEU B 543 -5.405 16.691 -5.488 1.00 0.00 H new ATOM 0 HD11 LEU B 543 -3.816 16.877 -7.360 1.00 0.00 H new ATOM 0 HD12 LEU B 543 -4.384 18.473 -6.815 1.00 0.00 H new ATOM 0 HD13 LEU B 543 -2.762 17.903 -6.358 1.00 0.00 H new ATOM 0 HD21 LEU B 543 -3.628 15.006 -5.766 1.00 0.00 H new ATOM 0 HD22 LEU B 543 -2.567 15.955 -4.698 1.00 0.00 H new ATOM 0 HD23 LEU B 543 -4.061 15.233 -4.055 1.00 0.00 H new ATOM 699 N THR B 544 -0.956 17.943 -4.737 1.00 0.00 N ATOM 700 CA THR B 544 0.076 18.366 -5.675 1.00 0.00 C ATOM 701 C THR B 544 0.535 17.204 -6.547 1.00 0.00 C ATOM 702 O THR B 544 0.343 16.040 -6.200 1.00 0.00 O ATOM 703 CB THR B 544 1.295 18.957 -4.942 1.00 0.00 C ATOM 704 OG1 THR B 544 2.313 17.960 -4.804 1.00 0.00 O ATOM 705 CG2 THR B 544 0.899 19.478 -3.568 1.00 0.00 C ATOM 0 H THR B 544 -0.813 17.013 -4.344 1.00 0.00 H new ATOM 0 HA THR B 544 -0.367 19.137 -6.305 1.00 0.00 H new ATOM 0 HB THR B 544 1.679 19.789 -5.532 1.00 0.00 H new ATOM 0 HG1 THR B 544 3.085 18.343 -4.338 1.00 0.00 H new ATOM 0 HG21 THR B 544 1.776 19.891 -3.069 1.00 0.00 H new ATOM 0 HG22 THR B 544 0.144 20.256 -3.678 1.00 0.00 H new ATOM 0 HG23 THR B 544 0.493 18.661 -2.972 1.00 0.00 H new ATOM 713 N GLY B 545 1.146 17.529 -7.684 1.00 0.00 N ATOM 714 CA GLY B 545 1.625 16.499 -8.588 1.00 0.00 C ATOM 715 C GLY B 545 2.473 15.458 -7.884 1.00 0.00 C ATOM 716 O GLY B 545 2.302 14.259 -8.100 1.00 0.00 O ATOM 0 H GLY B 545 1.317 18.486 -7.994 1.00 0.00 H new ATOM 0 HA2 GLY B 545 0.773 16.010 -9.061 1.00 0.00 H new ATOM 0 HA3 GLY B 545 2.209 16.961 -9.384 1.00 0.00 H new ATOM 720 N GLY B 546 3.394 15.918 -7.042 1.00 0.00 N ATOM 721 CA GLY B 546 4.259 15.004 -6.319 1.00 0.00 C ATOM 722 C GLY B 546 3.487 14.078 -5.401 1.00 0.00 C ATOM 723 O GLY B 546 3.891 12.937 -5.178 1.00 0.00 O ATOM 0 H GLY B 546 3.556 16.906 -6.848 1.00 0.00 H new ATOM 0 HA2 GLY B 546 4.831 14.410 -7.032 1.00 0.00 H new ATOM 0 HA3 GLY B 546 4.977 15.576 -5.732 1.00 0.00 H new ATOM 727 N GLU B 547 2.374 14.569 -4.866 1.00 0.00 N ATOM 728 CA GLU B 547 1.545 13.777 -3.966 1.00 0.00 C ATOM 729 C GLU B 547 0.876 12.626 -4.712 1.00 0.00 C ATOM 730 O GLU B 547 0.812 11.502 -4.212 1.00 0.00 O ATOM 731 CB GLU B 547 0.482 14.657 -3.307 1.00 0.00 C ATOM 732 CG GLU B 547 1.007 16.010 -2.855 1.00 0.00 C ATOM 733 CD GLU B 547 0.290 16.534 -1.626 1.00 0.00 C ATOM 734 OE1 GLU B 547 -0.758 17.194 -1.788 1.00 0.00 O ATOM 735 OE2 GLU B 547 0.775 16.285 -0.504 1.00 0.00 O ATOM 0 H GLU B 547 2.026 15.512 -5.040 1.00 0.00 H new ATOM 0 HA GLU B 547 2.191 13.360 -3.193 1.00 0.00 H new ATOM 0 HB2 GLU B 547 -0.337 14.811 -4.010 1.00 0.00 H new ATOM 0 HB3 GLU B 547 0.069 14.131 -2.446 1.00 0.00 H new ATOM 0 HG2 GLU B 547 2.073 15.929 -2.642 1.00 0.00 H new ATOM 0 HG3 GLU B 547 0.898 16.728 -3.668 1.00 0.00 H new ATOM 742 N ILE B 548 0.380 12.914 -5.910 1.00 0.00 N ATOM 743 CA ILE B 548 -0.284 11.905 -6.725 1.00 0.00 C ATOM 744 C ILE B 548 0.694 10.819 -7.158 1.00 0.00 C ATOM 745 O ILE B 548 0.470 9.633 -6.915 1.00 0.00 O ATOM 746 CB ILE B 548 -0.930 12.527 -7.977 1.00 0.00 C ATOM 747 CG1 ILE B 548 -2.144 13.373 -7.585 1.00 0.00 C ATOM 748 CG2 ILE B 548 -1.330 11.440 -8.963 1.00 0.00 C ATOM 749 CD1 ILE B 548 -1.872 14.860 -7.593 1.00 0.00 C ATOM 0 H ILE B 548 0.425 13.839 -6.338 1.00 0.00 H new ATOM 0 HA ILE B 548 -1.065 11.463 -6.106 1.00 0.00 H new ATOM 0 HB ILE B 548 -0.200 13.176 -8.460 1.00 0.00 H new ATOM 0 HG12 ILE B 548 -2.963 13.158 -8.271 1.00 0.00 H new ATOM 0 HG13 ILE B 548 -2.476 13.078 -6.590 1.00 0.00 H new ATOM 0 HG21 ILE B 548 -1.785 11.896 -9.842 1.00 0.00 H new ATOM 0 HG22 ILE B 548 -0.446 10.877 -9.263 1.00 0.00 H new ATOM 0 HG23 ILE B 548 -2.046 10.767 -8.492 1.00 0.00 H new ATOM 0 HD11 ILE B 548 -2.776 15.397 -7.306 1.00 0.00 H new ATOM 0 HD12 ILE B 548 -1.074 15.088 -6.886 1.00 0.00 H new ATOM 0 HD13 ILE B 548 -1.569 15.169 -8.593 1.00 0.00 H new ATOM 761 N VAL B 549 1.783 11.231 -7.801 1.00 0.00 N ATOM 762 CA VAL B 549 2.797 10.294 -8.265 1.00 0.00 C ATOM 763 C VAL B 549 3.374 9.488 -7.106 1.00 0.00 C ATOM 764 O VAL B 549 3.776 8.338 -7.277 1.00 0.00 O ATOM 765 CB VAL B 549 3.945 11.023 -8.989 1.00 0.00 C ATOM 766 CG1 VAL B 549 3.393 12.058 -9.957 1.00 0.00 C ATOM 767 CG2 VAL B 549 4.885 11.669 -7.983 1.00 0.00 C ATOM 0 H VAL B 549 1.984 12.208 -8.012 1.00 0.00 H new ATOM 0 HA VAL B 549 2.306 9.618 -8.965 1.00 0.00 H new ATOM 0 HB VAL B 549 4.513 10.290 -9.563 1.00 0.00 H new ATOM 0 HG11 VAL B 549 4.218 12.563 -10.459 1.00 0.00 H new ATOM 0 HG12 VAL B 549 2.765 11.564 -10.698 1.00 0.00 H new ATOM 0 HG13 VAL B 549 2.800 12.790 -9.408 1.00 0.00 H new ATOM 0 HG21 VAL B 549 5.690 12.179 -8.512 1.00 0.00 H new ATOM 0 HG22 VAL B 549 4.333 12.390 -7.380 1.00 0.00 H new ATOM 0 HG23 VAL B 549 5.307 10.901 -7.334 1.00 0.00 H new ATOM 777 N ALA B 550 3.410 10.101 -5.927 1.00 0.00 N ATOM 778 CA ALA B 550 3.935 9.440 -4.739 1.00 0.00 C ATOM 779 C ALA B 550 3.026 8.295 -4.301 1.00 0.00 C ATOM 780 O ALA B 550 3.489 7.184 -4.045 1.00 0.00 O ATOM 781 CB ALA B 550 4.105 10.443 -3.608 1.00 0.00 C ATOM 0 H ALA B 550 3.082 11.054 -5.770 1.00 0.00 H new ATOM 0 HA ALA B 550 4.910 9.021 -4.988 1.00 0.00 H new ATOM 0 HB1 ALA B 550 4.498 9.935 -2.727 1.00 0.00 H new ATOM 0 HB2 ALA B 550 4.800 11.225 -3.916 1.00 0.00 H new ATOM 0 HB3 ALA B 550 3.140 10.889 -3.369 1.00 0.00 H new ATOM 787 N VAL B 551 1.729 8.576 -4.215 1.00 0.00 N ATOM 788 CA VAL B 551 0.755 7.570 -3.808 1.00 0.00 C ATOM 789 C VAL B 551 0.785 6.367 -4.743 1.00 0.00 C ATOM 790 O VAL B 551 0.834 5.221 -4.295 1.00 0.00 O ATOM 791 CB VAL B 551 -0.672 8.150 -3.780 1.00 0.00 C ATOM 792 CG1 VAL B 551 -1.698 7.036 -3.639 1.00 0.00 C ATOM 793 CG2 VAL B 551 -0.813 9.162 -2.653 1.00 0.00 C ATOM 0 H VAL B 551 1.329 9.491 -4.422 1.00 0.00 H new ATOM 0 HA VAL B 551 1.029 7.252 -2.802 1.00 0.00 H new ATOM 0 HB VAL B 551 -0.856 8.663 -4.724 1.00 0.00 H new ATOM 0 HG11 VAL B 551 -2.700 7.464 -3.621 1.00 0.00 H new ATOM 0 HG12 VAL B 551 -1.611 6.352 -4.483 1.00 0.00 H new ATOM 0 HG13 VAL B 551 -1.519 6.492 -2.712 1.00 0.00 H new ATOM 0 HG21 VAL B 551 -1.827 9.562 -2.648 1.00 0.00 H new ATOM 0 HG22 VAL B 551 -0.610 8.675 -1.699 1.00 0.00 H new ATOM 0 HG23 VAL B 551 -0.103 9.975 -2.803 1.00 0.00 H new ATOM 803 N ILE B 552 0.754 6.634 -6.044 1.00 0.00 N ATOM 804 CA ILE B 552 0.778 5.573 -7.043 1.00 0.00 C ATOM 805 C ILE B 552 2.097 4.809 -7.001 1.00 0.00 C ATOM 806 O ILE B 552 2.148 3.619 -7.311 1.00 0.00 O ATOM 807 CB ILE B 552 0.566 6.130 -8.463 1.00 0.00 C ATOM 808 CG1 ILE B 552 0.591 4.996 -9.489 1.00 0.00 C ATOM 809 CG2 ILE B 552 1.630 7.169 -8.788 1.00 0.00 C ATOM 810 CD1 ILE B 552 0.323 5.456 -10.905 1.00 0.00 C ATOM 0 H ILE B 552 0.712 7.577 -6.431 1.00 0.00 H new ATOM 0 HA ILE B 552 -0.041 4.895 -6.802 1.00 0.00 H new ATOM 0 HB ILE B 552 -0.411 6.612 -8.506 1.00 0.00 H new ATOM 0 HG12 ILE B 552 1.564 4.506 -9.453 1.00 0.00 H new ATOM 0 HG13 ILE B 552 -0.153 4.249 -9.211 1.00 0.00 H new ATOM 0 HG21 ILE B 552 1.467 7.554 -9.795 1.00 0.00 H new ATOM 0 HG22 ILE B 552 1.569 7.989 -8.072 1.00 0.00 H new ATOM 0 HG23 ILE B 552 2.617 6.710 -8.730 1.00 0.00 H new ATOM 0 HD11 ILE B 552 0.356 4.599 -11.578 1.00 0.00 H new ATOM 0 HD12 ILE B 552 -0.662 5.920 -10.957 1.00 0.00 H new ATOM 0 HD13 ILE B 552 1.081 6.180 -11.202 1.00 0.00 H new ATOM 822 N PHE B 553 3.163 5.501 -6.612 1.00 0.00 N ATOM 823 CA PHE B 553 4.484 4.888 -6.528 1.00 0.00 C ATOM 824 C PHE B 553 4.520 3.823 -5.435 1.00 0.00 C ATOM 825 O PHE B 553 4.913 2.683 -5.678 1.00 0.00 O ATOM 826 CB PHE B 553 5.548 5.953 -6.254 1.00 0.00 C ATOM 827 CG PHE B 553 6.938 5.519 -6.619 1.00 0.00 C ATOM 828 CD1 PHE B 553 7.543 4.458 -5.963 1.00 0.00 C ATOM 829 CD2 PHE B 553 7.642 6.171 -7.619 1.00 0.00 C ATOM 830 CE1 PHE B 553 8.822 4.059 -6.297 1.00 0.00 C ATOM 831 CE2 PHE B 553 8.922 5.776 -7.957 1.00 0.00 C ATOM 832 CZ PHE B 553 9.513 4.717 -7.295 1.00 0.00 C ATOM 0 H PHE B 553 3.138 6.486 -6.350 1.00 0.00 H new ATOM 0 HA PHE B 553 4.697 4.410 -7.484 1.00 0.00 H new ATOM 0 HB2 PHE B 553 5.299 6.856 -6.812 1.00 0.00 H new ATOM 0 HB3 PHE B 553 5.524 6.216 -5.196 1.00 0.00 H new ATOM 0 HD1 PHE B 553 7.008 3.938 -5.182 1.00 0.00 H new ATOM 0 HD2 PHE B 553 7.184 6.998 -8.141 1.00 0.00 H new ATOM 0 HE1 PHE B 553 9.282 3.232 -5.777 1.00 0.00 H new ATOM 0 HE2 PHE B 553 9.460 6.294 -8.737 1.00 0.00 H new ATOM 0 HZ PHE B 553 10.513 4.405 -7.558 1.00 0.00 H new ATOM 842 N GLY B 554 4.109 4.206 -4.231 1.00 0.00 N ATOM 843 CA GLY B 554 4.103 3.273 -3.118 1.00 0.00 C ATOM 844 C GLY B 554 2.984 2.255 -3.220 1.00 0.00 C ATOM 845 O GLY B 554 3.117 1.127 -2.745 1.00 0.00 O ATOM 0 H GLY B 554 3.780 5.145 -4.005 1.00 0.00 H new ATOM 0 HA2 GLY B 554 5.060 2.753 -3.079 1.00 0.00 H new ATOM 0 HA3 GLY B 554 4.002 3.827 -2.184 1.00 0.00 H new ATOM 849 N LEU B 555 1.879 2.654 -3.841 1.00 0.00 N ATOM 850 CA LEU B 555 0.731 1.768 -4.002 1.00 0.00 C ATOM 851 C LEU B 555 1.027 0.676 -5.026 1.00 0.00 C ATOM 852 O LEU B 555 0.745 -0.500 -4.792 1.00 0.00 O ATOM 853 CB LEU B 555 -0.498 2.568 -4.436 1.00 0.00 C ATOM 854 CG LEU B 555 -1.638 1.763 -5.061 1.00 0.00 C ATOM 855 CD1 LEU B 555 -2.149 0.715 -4.084 1.00 0.00 C ATOM 856 CD2 LEU B 555 -2.767 2.685 -5.496 1.00 0.00 C ATOM 0 H LEU B 555 1.754 3.584 -4.241 1.00 0.00 H new ATOM 0 HA LEU B 555 0.529 1.296 -3.041 1.00 0.00 H new ATOM 0 HB2 LEU B 555 -0.888 3.097 -3.566 1.00 0.00 H new ATOM 0 HB3 LEU B 555 -0.179 3.325 -5.153 1.00 0.00 H new ATOM 0 HG LEU B 555 -1.254 1.251 -5.944 1.00 0.00 H new ATOM 0 HD11 LEU B 555 -2.960 0.152 -4.546 1.00 0.00 H new ATOM 0 HD12 LEU B 555 -1.338 0.035 -3.823 1.00 0.00 H new ATOM 0 HD13 LEU B 555 -2.516 1.206 -3.183 1.00 0.00 H new ATOM 0 HD21 LEU B 555 -3.569 2.094 -5.938 1.00 0.00 H new ATOM 0 HD22 LEU B 555 -3.149 3.225 -4.630 1.00 0.00 H new ATOM 0 HD23 LEU B 555 -2.392 3.397 -6.232 1.00 0.00 H new ATOM 868 N LEU B 556 1.598 1.071 -6.157 1.00 0.00 N ATOM 869 CA LEU B 556 1.935 0.126 -7.216 1.00 0.00 C ATOM 870 C LEU B 556 3.011 -0.851 -6.753 1.00 0.00 C ATOM 871 O LEU B 556 2.811 -2.066 -6.765 1.00 0.00 O ATOM 872 CB LEU B 556 2.410 0.873 -8.463 1.00 0.00 C ATOM 873 CG LEU B 556 1.314 1.464 -9.350 1.00 0.00 C ATOM 874 CD1 LEU B 556 1.923 2.192 -10.538 1.00 0.00 C ATOM 875 CD2 LEU B 556 0.363 0.374 -9.821 1.00 0.00 C ATOM 0 H LEU B 556 1.838 2.040 -6.365 1.00 0.00 H new ATOM 0 HA LEU B 556 1.037 -0.441 -7.461 1.00 0.00 H new ATOM 0 HB2 LEU B 556 3.070 1.681 -8.148 1.00 0.00 H new ATOM 0 HB3 LEU B 556 3.008 0.189 -9.066 1.00 0.00 H new ATOM 0 HG LEU B 556 0.746 2.184 -8.761 1.00 0.00 H new ATOM 0 HD11 LEU B 556 1.128 2.606 -11.158 1.00 0.00 H new ATOM 0 HD12 LEU B 556 2.562 2.999 -10.181 1.00 0.00 H new ATOM 0 HD13 LEU B 556 2.516 1.493 -11.128 1.00 0.00 H new ATOM 0 HD21 LEU B 556 -0.410 0.813 -10.451 1.00 0.00 H new ATOM 0 HD22 LEU B 556 0.917 -0.370 -10.393 1.00 0.00 H new ATOM 0 HD23 LEU B 556 -0.100 -0.103 -8.957 1.00 0.00 H new ATOM 887 N LEU B 557 4.153 -0.311 -6.340 1.00 0.00 N ATOM 888 CA LEU B 557 5.261 -1.134 -5.869 1.00 0.00 C ATOM 889 C LEU B 557 4.906 -1.829 -4.559 1.00 0.00 C ATOM 890 O LEU B 557 5.482 -2.860 -4.215 1.00 0.00 O ATOM 891 CB LEU B 557 6.515 -0.275 -5.681 1.00 0.00 C ATOM 892 CG LEU B 557 7.308 0.042 -6.949 1.00 0.00 C ATOM 893 CD1 LEU B 557 8.520 0.899 -6.620 1.00 0.00 C ATOM 894 CD2 LEU B 557 7.733 -1.242 -7.647 1.00 0.00 C ATOM 0 H LEU B 557 4.335 0.692 -6.322 1.00 0.00 H new ATOM 0 HA LEU B 557 5.459 -1.898 -6.621 1.00 0.00 H new ATOM 0 HB2 LEU B 557 6.220 0.666 -5.216 1.00 0.00 H new ATOM 0 HB3 LEU B 557 7.177 -0.783 -4.980 1.00 0.00 H new ATOM 0 HG LEU B 557 6.665 0.604 -7.626 1.00 0.00 H new ATOM 0 HD11 LEU B 557 9.072 1.115 -7.535 1.00 0.00 H new ATOM 0 HD12 LEU B 557 8.192 1.834 -6.165 1.00 0.00 H new ATOM 0 HD13 LEU B 557 9.166 0.364 -5.924 1.00 0.00 H new ATOM 0 HD21 LEU B 557 8.296 -0.997 -8.548 1.00 0.00 H new ATOM 0 HD22 LEU B 557 8.359 -1.831 -6.976 1.00 0.00 H new ATOM 0 HD23 LEU B 557 6.849 -1.819 -7.918 1.00 0.00 H new ATOM 906 N GLY B 558 3.951 -1.258 -3.832 1.00 0.00 N ATOM 907 CA GLY B 558 3.532 -1.838 -2.569 1.00 0.00 C ATOM 908 C GLY B 558 2.864 -3.186 -2.743 1.00 0.00 C ATOM 909 O GLY B 558 3.384 -4.207 -2.291 1.00 0.00 O ATOM 0 H GLY B 558 3.460 -0.404 -4.095 1.00 0.00 H new ATOM 0 HA2 GLY B 558 4.399 -1.947 -1.918 1.00 0.00 H new ATOM 0 HA3 GLY B 558 2.843 -1.156 -2.071 1.00 0.00 H new ATOM 913 N ALA B 559 1.709 -3.193 -3.400 1.00 0.00 N ATOM 914 CA ALA B 559 0.969 -4.427 -3.633 1.00 0.00 C ATOM 915 C ALA B 559 1.742 -5.365 -4.555 1.00 0.00 C ATOM 916 O ALA B 559 1.811 -6.569 -4.314 1.00 0.00 O ATOM 917 CB ALA B 559 -0.401 -4.119 -4.217 1.00 0.00 C ATOM 0 H ALA B 559 1.265 -2.357 -3.781 1.00 0.00 H new ATOM 0 HA ALA B 559 0.838 -4.929 -2.675 1.00 0.00 H new ATOM 0 HB1 ALA B 559 -0.942 -5.050 -4.386 1.00 0.00 H new ATOM 0 HB2 ALA B 559 -0.961 -3.495 -3.521 1.00 0.00 H new ATOM 0 HB3 ALA B 559 -0.283 -3.591 -5.163 1.00 0.00 H new ATOM 923 N ALA B 560 2.321 -4.803 -5.610 1.00 0.00 N ATOM 924 CA ALA B 560 3.089 -5.589 -6.568 1.00 0.00 C ATOM 925 C ALA B 560 4.131 -6.449 -5.861 1.00 0.00 C ATOM 926 O ALA B 560 4.115 -7.676 -5.969 1.00 0.00 O ATOM 927 CB ALA B 560 3.757 -4.675 -7.585 1.00 0.00 C ATOM 0 H ALA B 560 2.273 -3.807 -5.823 1.00 0.00 H new ATOM 0 HA ALA B 560 2.401 -6.254 -7.091 1.00 0.00 H new ATOM 0 HB1 ALA B 560 4.327 -5.275 -8.294 1.00 0.00 H new ATOM 0 HB2 ALA B 560 2.995 -4.107 -8.120 1.00 0.00 H new ATOM 0 HB3 ALA B 560 4.428 -3.987 -7.070 1.00 0.00 H new ATOM 933 N LEU B 561 5.037 -5.798 -5.139 1.00 0.00 N ATOM 934 CA LEU B 561 6.089 -6.504 -4.415 1.00 0.00 C ATOM 935 C LEU B 561 5.494 -7.487 -3.413 1.00 0.00 C ATOM 936 O LEU B 561 6.020 -8.584 -3.215 1.00 0.00 O ATOM 937 CB LEU B 561 6.994 -5.506 -3.691 1.00 0.00 C ATOM 938 CG LEU B 561 8.334 -6.052 -3.196 1.00 0.00 C ATOM 939 CD1 LEU B 561 9.196 -6.496 -4.369 1.00 0.00 C ATOM 940 CD2 LEU B 561 9.061 -5.006 -2.363 1.00 0.00 C ATOM 0 H LEU B 561 5.064 -4.783 -5.039 1.00 0.00 H new ATOM 0 HA LEU B 561 6.681 -7.064 -5.138 1.00 0.00 H new ATOM 0 HB2 LEU B 561 7.191 -4.671 -4.363 1.00 0.00 H new ATOM 0 HB3 LEU B 561 6.449 -5.106 -2.836 1.00 0.00 H new ATOM 0 HG LEU B 561 8.140 -6.920 -2.565 1.00 0.00 H new ATOM 0 HD11 LEU B 561 10.145 -6.882 -3.997 1.00 0.00 H new ATOM 0 HD12 LEU B 561 8.679 -7.278 -4.925 1.00 0.00 H new ATOM 0 HD13 LEU B 561 9.382 -5.646 -5.026 1.00 0.00 H new ATOM 0 HD21 LEU B 561 10.012 -5.412 -2.019 1.00 0.00 H new ATOM 0 HD22 LEU B 561 9.243 -4.119 -2.970 1.00 0.00 H new ATOM 0 HD23 LEU B 561 8.449 -4.737 -1.502 1.00 0.00 H new ATOM 952 N LEU B 562 4.392 -7.091 -2.784 1.00 0.00 N ATOM 953 CA LEU B 562 3.724 -7.938 -1.803 1.00 0.00 C ATOM 954 C LEU B 562 3.285 -9.256 -2.432 1.00 0.00 C ATOM 955 O LEU B 562 3.653 -10.334 -1.962 1.00 0.00 O ATOM 956 CB LEU B 562 2.513 -7.213 -1.215 1.00 0.00 C ATOM 957 CG LEU B 562 2.036 -7.704 0.153 1.00 0.00 C ATOM 958 CD1 LEU B 562 0.877 -6.854 0.651 1.00 0.00 C ATOM 959 CD2 LEU B 562 1.633 -9.169 0.083 1.00 0.00 C ATOM 0 H LEU B 562 3.943 -6.188 -2.937 1.00 0.00 H new ATOM 0 HA LEU B 562 4.433 -8.156 -1.004 1.00 0.00 H new ATOM 0 HB2 LEU B 562 2.753 -6.153 -1.135 1.00 0.00 H new ATOM 0 HB3 LEU B 562 1.685 -7.300 -1.919 1.00 0.00 H new ATOM 0 HG LEU B 562 2.860 -7.608 0.860 1.00 0.00 H new ATOM 0 HD11 LEU B 562 0.551 -7.218 1.625 1.00 0.00 H new ATOM 0 HD12 LEU B 562 1.199 -5.816 0.740 1.00 0.00 H new ATOM 0 HD13 LEU B 562 0.049 -6.917 -0.055 1.00 0.00 H new ATOM 0 HD21 LEU B 562 1.296 -9.501 1.065 1.00 0.00 H new ATOM 0 HD22 LEU B 562 0.824 -9.290 -0.638 1.00 0.00 H new ATOM 0 HD23 LEU B 562 2.489 -9.767 -0.229 1.00 0.00 H new