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= -1.06 USER MOD Single : B 544 THR OG1 : rot 180:sc= -1.12 USER MOD ----------------------------------------------------------------- ATOM 98 N LEU A 543 11.749 16.129 -3.363 1.00 0.00 N ATOM 99 CA LEU A 543 11.285 15.518 -2.122 1.00 0.00 C ATOM 100 C LEU A 543 10.544 16.534 -1.259 1.00 0.00 C ATOM 101 O LEU A 543 11.092 17.576 -0.897 1.00 0.00 O ATOM 102 CB LEU A 543 12.466 14.936 -1.344 1.00 0.00 C ATOM 103 CG LEU A 543 12.116 14.157 -0.076 1.00 0.00 C ATOM 104 CD1 LEU A 543 11.794 15.109 1.065 1.00 0.00 C ATOM 105 CD2 LEU A 543 10.946 13.216 -0.333 1.00 0.00 C ATOM 0 HA LEU A 543 10.595 14.714 -2.378 1.00 0.00 H new ATOM 0 HB2 LEU A 543 13.024 14.277 -2.009 1.00 0.00 H new ATOM 0 HB3 LEU A 543 13.134 15.753 -1.072 1.00 0.00 H new ATOM 0 HG LEU A 543 12.982 13.560 0.210 1.00 0.00 H new ATOM 0 HD11 LEU A 543 11.547 14.536 1.959 1.00 0.00 H new ATOM 0 HD12 LEU A 543 12.659 15.741 1.267 1.00 0.00 H new ATOM 0 HD13 LEU A 543 10.945 15.734 0.789 1.00 0.00 H new ATOM 0 HD21 LEU A 543 10.711 12.670 0.581 1.00 0.00 H new ATOM 0 HD22 LEU A 543 10.076 13.794 -0.644 1.00 0.00 H new ATOM 0 HD23 LEU A 543 11.213 12.510 -1.119 1.00 0.00 H new ATOM 117 N THR A 544 9.294 16.223 -0.929 1.00 0.00 N ATOM 118 CA THR A 544 8.478 17.109 -0.108 1.00 0.00 C ATOM 119 C THR A 544 7.618 16.314 0.868 1.00 0.00 C ATOM 120 O THR A 544 7.375 15.124 0.671 1.00 0.00 O ATOM 121 CB THR A 544 7.565 17.996 -0.975 1.00 0.00 C ATOM 122 OG1 THR A 544 6.254 17.424 -1.050 1.00 0.00 O ATOM 123 CG2 THR A 544 8.135 18.154 -2.376 1.00 0.00 C ATOM 0 H THR A 544 8.825 15.364 -1.218 1.00 0.00 H new ATOM 0 HA THR A 544 9.164 17.745 0.451 1.00 0.00 H new ATOM 0 HB THR A 544 7.506 18.981 -0.511 1.00 0.00 H new ATOM 0 HG1 THR A 544 5.969 17.380 -1.987 1.00 0.00 H new ATOM 0 HG21 THR A 544 7.473 18.784 -2.969 1.00 0.00 H new ATOM 0 HG22 THR A 544 9.120 18.616 -2.318 1.00 0.00 H new ATOM 0 HG23 THR A 544 8.221 17.174 -2.846 1.00 0.00 H new ATOM 131 N GLY A 545 7.157 16.982 1.922 1.00 0.00 N ATOM 132 CA GLY A 545 6.328 16.321 2.914 1.00 0.00 C ATOM 133 C GLY A 545 5.165 15.574 2.292 1.00 0.00 C ATOM 134 O GLY A 545 4.882 14.435 2.660 1.00 0.00 O ATOM 0 H GLY A 545 7.343 17.968 2.106 1.00 0.00 H new ATOM 0 HA2 GLY A 545 6.939 15.624 3.487 1.00 0.00 H new ATOM 0 HA3 GLY A 545 5.946 17.062 3.616 1.00 0.00 H new ATOM 138 N GLY A 546 4.486 16.219 1.347 1.00 0.00 N ATOM 139 CA GLY A 546 3.354 15.593 0.689 1.00 0.00 C ATOM 140 C GLY A 546 3.743 14.339 -0.067 1.00 0.00 C ATOM 141 O GLY A 546 2.953 13.402 -0.177 1.00 0.00 O ATOM 0 H GLY A 546 4.700 17.163 1.026 1.00 0.00 H new ATOM 0 HA2 GLY A 546 2.597 15.345 1.433 1.00 0.00 H new ATOM 0 HA3 GLY A 546 2.901 16.304 -0.002 1.00 0.00 H new ATOM 145 N GLU A 547 4.964 14.320 -0.592 1.00 0.00 N ATOM 146 CA GLU A 547 5.456 13.172 -1.345 1.00 0.00 C ATOM 147 C GLU A 547 5.653 11.967 -0.431 1.00 0.00 C ATOM 148 O GLU A 547 5.312 10.840 -0.790 1.00 0.00 O ATOM 149 CB GLU A 547 6.772 13.517 -2.044 1.00 0.00 C ATOM 150 CG GLU A 547 6.779 14.897 -2.681 1.00 0.00 C ATOM 151 CD GLU A 547 7.652 14.963 -3.919 1.00 0.00 C ATOM 152 OE1 GLU A 547 8.868 15.213 -3.775 1.00 0.00 O ATOM 153 OE2 GLU A 547 7.122 14.765 -5.032 1.00 0.00 O ATOM 0 H GLU A 547 5.631 15.087 -0.510 1.00 0.00 H new ATOM 0 HA GLU A 547 4.710 12.917 -2.098 1.00 0.00 H new ATOM 0 HB2 GLU A 547 7.585 13.456 -1.320 1.00 0.00 H new ATOM 0 HB3 GLU A 547 6.972 12.770 -2.812 1.00 0.00 H new ATOM 0 HG2 GLU A 547 5.759 15.177 -2.945 1.00 0.00 H new ATOM 0 HG3 GLU A 547 7.132 15.628 -1.953 1.00 0.00 H new ATOM 160 N ILE A 548 6.207 12.213 0.752 1.00 0.00 N ATOM 161 CA ILE A 548 6.451 11.148 1.718 1.00 0.00 C ATOM 162 C ILE A 548 5.140 10.551 2.219 1.00 0.00 C ATOM 163 O ILE A 548 4.923 9.342 2.132 1.00 0.00 O ATOM 164 CB ILE A 548 7.264 11.657 2.923 1.00 0.00 C ATOM 165 CG1 ILE A 548 8.707 11.948 2.506 1.00 0.00 C ATOM 166 CG2 ILE A 548 7.228 10.639 4.053 1.00 0.00 C ATOM 167 CD1 ILE A 548 8.995 13.420 2.315 1.00 0.00 C ATOM 0 H ILE A 548 6.495 13.140 1.065 1.00 0.00 H new ATOM 0 HA ILE A 548 7.025 10.378 1.202 1.00 0.00 H new ATOM 0 HB ILE A 548 6.816 12.584 3.280 1.00 0.00 H new ATOM 0 HG12 ILE A 548 9.383 11.549 3.262 1.00 0.00 H new ATOM 0 HG13 ILE A 548 8.922 11.420 1.577 1.00 0.00 H new ATOM 0 HG21 ILE A 548 7.807 11.012 4.898 1.00 0.00 H new ATOM 0 HG22 ILE A 548 6.196 10.477 4.364 1.00 0.00 H new ATOM 0 HG23 ILE A 548 7.655 9.697 3.708 1.00 0.00 H new ATOM 0 HD11 ILE A 548 10.036 13.552 2.020 1.00 0.00 H new ATOM 0 HD12 ILE A 548 8.344 13.820 1.538 1.00 0.00 H new ATOM 0 HD13 ILE A 548 8.813 13.951 3.249 1.00 0.00 H new ATOM 179 N VAL A 549 4.267 11.407 2.741 1.00 0.00 N ATOM 180 CA VAL A 549 2.976 10.965 3.254 1.00 0.00 C ATOM 181 C VAL A 549 2.161 10.273 2.166 1.00 0.00 C ATOM 182 O VAL A 549 1.363 9.379 2.447 1.00 0.00 O ATOM 183 CB VAL A 549 2.163 12.143 3.818 1.00 0.00 C ATOM 184 CG1 VAL A 549 3.041 13.030 4.688 1.00 0.00 C ATOM 185 CG2 VAL A 549 1.533 12.945 2.690 1.00 0.00 C ATOM 0 H VAL A 549 4.431 12.411 2.820 1.00 0.00 H new ATOM 0 HA VAL A 549 3.180 10.257 4.058 1.00 0.00 H new ATOM 0 HB VAL A 549 1.362 11.744 4.440 1.00 0.00 H new ATOM 0 HG11 VAL A 549 2.449 13.858 5.078 1.00 0.00 H new ATOM 0 HG12 VAL A 549 3.439 12.446 5.518 1.00 0.00 H new ATOM 0 HG13 VAL A 549 3.865 13.423 4.092 1.00 0.00 H new ATOM 0 HG21 VAL A 549 0.962 13.774 3.108 1.00 0.00 H new ATOM 0 HG22 VAL A 549 2.316 13.335 2.040 1.00 0.00 H new ATOM 0 HG23 VAL A 549 0.869 12.302 2.113 1.00 0.00 H new ATOM 195 N ALA A 550 2.367 10.695 0.923 1.00 0.00 N ATOM 196 CA ALA A 550 1.653 10.115 -0.209 1.00 0.00 C ATOM 197 C ALA A 550 2.096 8.678 -0.459 1.00 0.00 C ATOM 198 O ALA A 550 1.267 7.780 -0.614 1.00 0.00 O ATOM 199 CB ALA A 550 1.866 10.959 -1.456 1.00 0.00 C ATOM 0 H ALA A 550 3.022 11.436 0.674 1.00 0.00 H new ATOM 0 HA ALA A 550 0.590 10.104 0.031 1.00 0.00 H new ATOM 0 HB1 ALA A 550 1.327 10.514 -2.293 1.00 0.00 H new ATOM 0 HB2 ALA A 550 1.494 11.968 -1.280 1.00 0.00 H new ATOM 0 HB3 ALA A 550 2.930 11.000 -1.690 1.00 0.00 H new ATOM 205 N VAL A 551 3.407 8.465 -0.497 1.00 0.00 N ATOM 206 CA VAL A 551 3.960 7.136 -0.728 1.00 0.00 C ATOM 207 C VAL A 551 3.490 6.151 0.338 1.00 0.00 C ATOM 208 O VAL A 551 3.054 5.044 0.024 1.00 0.00 O ATOM 209 CB VAL A 551 5.501 7.163 -0.740 1.00 0.00 C ATOM 210 CG1 VAL A 551 6.060 5.748 -0.736 1.00 0.00 C ATOM 211 CG2 VAL A 551 6.010 7.943 -1.943 1.00 0.00 C ATOM 0 H VAL A 551 4.107 9.196 -0.371 1.00 0.00 H new ATOM 0 HA VAL A 551 3.601 6.810 -1.704 1.00 0.00 H new ATOM 0 HB VAL A 551 5.846 7.666 0.163 1.00 0.00 H new ATOM 0 HG11 VAL A 551 7.149 5.787 -0.745 1.00 0.00 H new ATOM 0 HG12 VAL A 551 5.723 5.226 0.159 1.00 0.00 H new ATOM 0 HG13 VAL A 551 5.709 5.216 -1.620 1.00 0.00 H new ATOM 0 HG21 VAL A 551 7.100 7.952 -1.936 1.00 0.00 H new ATOM 0 HG22 VAL A 551 5.657 7.470 -2.859 1.00 0.00 H new ATOM 0 HG23 VAL A 551 5.638 8.967 -1.897 1.00 0.00 H new ATOM 221 N ILE A 552 3.579 6.564 1.598 1.00 0.00 N ATOM 222 CA ILE A 552 3.160 5.719 2.709 1.00 0.00 C ATOM 223 C ILE A 552 1.655 5.478 2.679 1.00 0.00 C ATOM 224 O ILE A 552 1.175 4.433 3.119 1.00 0.00 O ATOM 225 CB ILE A 552 3.542 6.343 4.065 1.00 0.00 C ATOM 226 CG1 ILE A 552 3.104 5.430 5.211 1.00 0.00 C ATOM 227 CG2 ILE A 552 2.915 7.721 4.209 1.00 0.00 C ATOM 228 CD1 ILE A 552 3.492 5.949 6.578 1.00 0.00 C ATOM 0 H ILE A 552 3.937 7.478 1.875 1.00 0.00 H new ATOM 0 HA ILE A 552 3.680 4.768 2.596 1.00 0.00 H new ATOM 0 HB ILE A 552 4.626 6.453 4.106 1.00 0.00 H new ATOM 0 HG12 ILE A 552 2.022 5.305 5.172 1.00 0.00 H new ATOM 0 HG13 ILE A 552 3.544 4.443 5.067 1.00 0.00 H new ATOM 0 HG21 ILE A 552 3.194 8.149 5.172 1.00 0.00 H new ATOM 0 HG22 ILE A 552 3.271 8.368 3.407 1.00 0.00 H new ATOM 0 HG23 ILE A 552 1.830 7.635 4.151 1.00 0.00 H new ATOM 0 HD11 ILE A 552 3.150 5.252 7.343 1.00 0.00 H new ATOM 0 HD12 ILE A 552 4.576 6.047 6.636 1.00 0.00 H new ATOM 0 HD13 ILE A 552 3.030 6.923 6.742 1.00 0.00 H new ATOM 240 N PHE A 553 0.916 6.450 2.156 1.00 0.00 N ATOM 241 CA PHE A 553 -0.536 6.342 2.066 1.00 0.00 C ATOM 242 C PHE A 553 -0.941 5.232 1.102 1.00 0.00 C ATOM 243 O PHE A 553 -1.738 4.359 1.443 1.00 0.00 O ATOM 244 CB PHE A 553 -1.140 7.672 1.613 1.00 0.00 C ATOM 245 CG PHE A 553 -2.598 7.813 1.945 1.00 0.00 C ATOM 246 CD1 PHE A 553 -3.533 6.950 1.395 1.00 0.00 C ATOM 247 CD2 PHE A 553 -3.035 8.807 2.806 1.00 0.00 C ATOM 248 CE1 PHE A 553 -4.876 7.078 1.699 1.00 0.00 C ATOM 249 CE2 PHE A 553 -4.376 8.939 3.112 1.00 0.00 C ATOM 250 CZ PHE A 553 -5.297 8.073 2.559 1.00 0.00 C ATOM 0 H PHE A 553 1.298 7.321 1.788 1.00 0.00 H new ATOM 0 HA PHE A 553 -0.919 6.095 3.056 1.00 0.00 H new ATOM 0 HB2 PHE A 553 -0.589 8.489 2.078 1.00 0.00 H new ATOM 0 HB3 PHE A 553 -1.010 7.773 0.536 1.00 0.00 H new ATOM 0 HD1 PHE A 553 -3.209 6.170 0.722 1.00 0.00 H new ATOM 0 HD2 PHE A 553 -2.319 9.487 3.243 1.00 0.00 H new ATOM 0 HE1 PHE A 553 -5.595 6.400 1.264 1.00 0.00 H new ATOM 0 HE2 PHE A 553 -4.703 9.719 3.783 1.00 0.00 H new ATOM 0 HZ PHE A 553 -6.345 8.173 2.798 1.00 0.00 H new ATOM 260 N GLY A 554 -0.385 5.273 -0.106 1.00 0.00 N ATOM 261 CA GLY A 554 -0.701 4.266 -1.102 1.00 0.00 C ATOM 262 C GLY A 554 -0.020 2.941 -0.823 1.00 0.00 C ATOM 263 O GLY A 554 -0.543 1.881 -1.168 1.00 0.00 O ATOM 0 H GLY A 554 0.278 5.985 -0.412 1.00 0.00 H new ATOM 0 HA2 GLY A 554 -1.780 4.117 -1.134 1.00 0.00 H new ATOM 0 HA3 GLY A 554 -0.400 4.626 -2.086 1.00 0.00 H new ATOM 267 N LEU A 555 1.151 2.999 -0.198 1.00 0.00 N ATOM 268 CA LEU A 555 1.906 1.794 0.126 1.00 0.00 C ATOM 269 C LEU A 555 1.227 1.010 1.244 1.00 0.00 C ATOM 270 O LEU A 555 1.097 -0.213 1.169 1.00 0.00 O ATOM 271 CB LEU A 555 3.334 2.158 0.538 1.00 0.00 C ATOM 272 CG LEU A 555 4.107 1.082 1.300 1.00 0.00 C ATOM 273 CD1 LEU A 555 4.217 -0.186 0.468 1.00 0.00 C ATOM 274 CD2 LEU A 555 5.489 1.591 1.684 1.00 0.00 C ATOM 0 H LEU A 555 1.598 3.868 0.094 1.00 0.00 H new ATOM 0 HA LEU A 555 1.940 1.166 -0.764 1.00 0.00 H new ATOM 0 HB2 LEU A 555 3.896 2.413 -0.360 1.00 0.00 H new ATOM 0 HB3 LEU A 555 3.295 3.055 1.156 1.00 0.00 H new ATOM 0 HG LEU A 555 3.561 0.847 2.213 1.00 0.00 H new ATOM 0 HD11 LEU A 555 4.770 -0.941 1.027 1.00 0.00 H new ATOM 0 HD12 LEU A 555 3.219 -0.561 0.242 1.00 0.00 H new ATOM 0 HD13 LEU A 555 4.741 0.034 -0.462 1.00 0.00 H new ATOM 0 HD21 LEU A 555 6.026 0.812 2.226 1.00 0.00 H new ATOM 0 HD22 LEU A 555 6.043 1.854 0.783 1.00 0.00 H new ATOM 0 HD23 LEU A 555 5.389 2.472 2.319 1.00 0.00 H new ATOM 286 N LEU A 556 0.792 1.721 2.278 1.00 0.00 N ATOM 287 CA LEU A 556 0.123 1.091 3.412 1.00 0.00 C ATOM 288 C LEU A 556 -1.257 0.578 3.013 1.00 0.00 C ATOM 289 O LEU A 556 -1.538 -0.617 3.109 1.00 0.00 O ATOM 290 CB LEU A 556 -0.005 2.084 4.569 1.00 0.00 C ATOM 291 CG LEU A 556 1.263 2.322 5.392 1.00 0.00 C ATOM 292 CD1 LEU A 556 0.999 3.333 6.497 1.00 0.00 C ATOM 293 CD2 LEU A 556 1.773 1.011 5.976 1.00 0.00 C ATOM 0 H LEU A 556 0.890 2.733 2.355 1.00 0.00 H new ATOM 0 HA LEU A 556 0.727 0.243 3.734 1.00 0.00 H new ATOM 0 HB2 LEU A 556 -0.337 3.041 4.166 1.00 0.00 H new ATOM 0 HB3 LEU A 556 -0.789 1.731 5.239 1.00 0.00 H new ATOM 0 HG LEU A 556 2.031 2.727 4.733 1.00 0.00 H new ATOM 0 HD11 LEU A 556 1.912 3.490 7.072 1.00 0.00 H new ATOM 0 HD12 LEU A 556 0.680 4.278 6.057 1.00 0.00 H new ATOM 0 HD13 LEU A 556 0.216 2.957 7.155 1.00 0.00 H new ATOM 0 HD21 LEU A 556 2.675 1.199 6.558 1.00 0.00 H new ATOM 0 HD22 LEU A 556 1.008 0.578 6.621 1.00 0.00 H new ATOM 0 HD23 LEU A 556 2.001 0.317 5.167 1.00 0.00 H new ATOM 305 N LEU A 557 -2.114 1.489 2.565 1.00 0.00 N ATOM 306 CA LEU A 557 -3.465 1.128 2.149 1.00 0.00 C ATOM 307 C LEU A 557 -3.431 0.155 0.975 1.00 0.00 C ATOM 308 O LEU A 557 -4.339 -0.657 0.802 1.00 0.00 O ATOM 309 CB LEU A 557 -4.253 2.381 1.764 1.00 0.00 C ATOM 310 CG LEU A 557 -4.839 3.187 2.924 1.00 0.00 C ATOM 311 CD1 LEU A 557 -3.765 4.047 3.573 1.00 0.00 C ATOM 312 CD2 LEU A 557 -5.997 4.049 2.443 1.00 0.00 C ATOM 0 H LEU A 557 -1.898 2.482 2.481 1.00 0.00 H new ATOM 0 HA LEU A 557 -3.959 0.639 2.989 1.00 0.00 H new ATOM 0 HB2 LEU A 557 -3.599 3.035 1.187 1.00 0.00 H new ATOM 0 HB3 LEU A 557 -5.069 2.085 1.105 1.00 0.00 H new ATOM 0 HG LEU A 557 -5.217 2.490 3.671 1.00 0.00 H new ATOM 0 HD11 LEU A 557 -4.201 4.613 4.396 1.00 0.00 H new ATOM 0 HD12 LEU A 557 -2.968 3.408 3.954 1.00 0.00 H new ATOM 0 HD13 LEU A 557 -3.356 4.737 2.835 1.00 0.00 H new ATOM 0 HD21 LEU A 557 -6.402 4.616 3.282 1.00 0.00 H new ATOM 0 HD22 LEU A 557 -5.643 4.738 1.676 1.00 0.00 H new ATOM 0 HD23 LEU A 557 -6.777 3.411 2.026 1.00 0.00 H new ATOM 324 N GLY A 558 -2.375 0.242 0.170 1.00 0.00 N ATOM 325 CA GLY A 558 -2.242 -0.638 -0.976 1.00 0.00 C ATOM 326 C GLY A 558 -2.067 -2.089 -0.576 1.00 0.00 C ATOM 327 O GLY A 558 -2.909 -2.932 -0.884 1.00 0.00 O ATOM 0 H GLY A 558 -1.610 0.906 0.292 1.00 0.00 H new ATOM 0 HA2 GLY A 558 -3.125 -0.543 -1.608 1.00 0.00 H new ATOM 0 HA3 GLY A 558 -1.387 -0.324 -1.574 1.00 0.00 H new ATOM 331 N ALA A 559 -0.967 -2.383 0.111 1.00 0.00 N ATOM 332 CA ALA A 559 -0.683 -3.743 0.553 1.00 0.00 C ATOM 333 C ALA A 559 -1.725 -4.220 1.561 1.00 0.00 C ATOM 334 O ALA A 559 -2.170 -5.367 1.511 1.00 0.00 O ATOM 335 CB ALA A 559 0.711 -3.821 1.157 1.00 0.00 C ATOM 0 H ALA A 559 -0.259 -1.698 0.373 1.00 0.00 H new ATOM 0 HA ALA A 559 -0.728 -4.399 -0.316 1.00 0.00 H new ATOM 0 HB1 ALA A 559 0.910 -4.842 1.483 1.00 0.00 H new ATOM 0 HB2 ALA A 559 1.448 -3.529 0.409 1.00 0.00 H new ATOM 0 HB3 ALA A 559 0.775 -3.148 2.012 1.00 0.00 H new ATOM 341 N ALA A 560 -2.109 -3.334 2.473 1.00 0.00 N ATOM 342 CA ALA A 560 -3.099 -3.665 3.490 1.00 0.00 C ATOM 343 C ALA A 560 -4.354 -4.262 2.862 1.00 0.00 C ATOM 344 O ALA A 560 -4.735 -5.394 3.164 1.00 0.00 O ATOM 345 CB ALA A 560 -3.452 -2.430 4.306 1.00 0.00 C ATOM 0 H ALA A 560 -1.750 -2.381 2.529 1.00 0.00 H new ATOM 0 HA ALA A 560 -2.665 -4.413 4.153 1.00 0.00 H new ATOM 0 HB1 ALA A 560 -4.192 -2.693 5.062 1.00 0.00 H new ATOM 0 HB2 ALA A 560 -2.555 -2.048 4.794 1.00 0.00 H new ATOM 0 HB3 ALA A 560 -3.861 -1.664 3.648 1.00 0.00 H new ATOM 351 N LEU A 561 -4.994 -3.495 1.986 1.00 0.00 N ATOM 352 CA LEU A 561 -6.206 -3.948 1.314 1.00 0.00 C ATOM 353 C LEU A 561 -5.940 -5.209 0.500 1.00 0.00 C ATOM 354 O LEU A 561 -6.788 -6.099 0.417 1.00 0.00 O ATOM 355 CB LEU A 561 -6.752 -2.845 0.405 1.00 0.00 C ATOM 356 CG LEU A 561 -8.224 -2.967 0.012 1.00 0.00 C ATOM 357 CD1 LEU A 561 -9.120 -2.723 1.216 1.00 0.00 C ATOM 358 CD2 LEU A 561 -8.559 -1.993 -1.109 1.00 0.00 C ATOM 0 H LEU A 561 -4.693 -2.556 1.725 1.00 0.00 H new ATOM 0 HA LEU A 561 -6.948 -4.182 2.077 1.00 0.00 H new ATOM 0 HB2 LEU A 561 -6.608 -1.886 0.904 1.00 0.00 H new ATOM 0 HB3 LEU A 561 -6.154 -2.823 -0.506 1.00 0.00 H new ATOM 0 HG LEU A 561 -8.401 -3.980 -0.348 1.00 0.00 H new ATOM 0 HD11 LEU A 561 -10.164 -2.814 0.917 1.00 0.00 H new ATOM 0 HD12 LEU A 561 -8.899 -3.459 1.989 1.00 0.00 H new ATOM 0 HD13 LEU A 561 -8.940 -1.721 1.606 1.00 0.00 H new ATOM 0 HD21 LEU A 561 -9.611 -2.094 -1.376 1.00 0.00 H new ATOM 0 HD22 LEU A 561 -8.365 -0.974 -0.775 1.00 0.00 H new ATOM 0 HD23 LEU A 561 -7.941 -2.213 -1.979 1.00 0.00 H new ATOM 370 N LEU A 562 -4.756 -5.281 -0.098 1.00 0.00 N ATOM 371 CA LEU A 562 -4.375 -6.436 -0.904 1.00 0.00 C ATOM 372 C LEU A 562 -4.365 -7.709 -0.063 1.00 0.00 C ATOM 373 O LEU A 562 -5.085 -8.664 -0.356 1.00 0.00 O ATOM 374 CB LEU A 562 -2.997 -6.214 -1.529 1.00 0.00 C ATOM 375 CG LEU A 562 -2.688 -7.036 -2.781 1.00 0.00 C ATOM 376 CD1 LEU A 562 -1.331 -6.650 -3.352 1.00 0.00 C ATOM 377 CD2 LEU A 562 -2.731 -8.524 -2.467 1.00 0.00 C ATOM 0 H LEU A 562 -4.043 -4.554 -0.040 1.00 0.00 H new ATOM 0 HA LEU A 562 -5.113 -6.553 -1.697 1.00 0.00 H new ATOM 0 HB2 LEU A 562 -2.899 -5.158 -1.779 1.00 0.00 H new ATOM 0 HB3 LEU A 562 -2.239 -6.435 -0.777 1.00 0.00 H new ATOM 0 HG LEU A 562 -3.450 -6.821 -3.530 1.00 0.00 H new ATOM 0 HD11 LEU A 562 -1.128 -7.245 -4.242 1.00 0.00 H new ATOM 0 HD12 LEU A 562 -1.335 -5.592 -3.616 1.00 0.00 H new ATOM 0 HD13 LEU A 562 -0.557 -6.836 -2.607 1.00 0.00 H new ATOM 0 HD21 LEU A 562 -2.509 -9.093 -3.370 1.00 0.00 H new ATOM 0 HD22 LEU A 562 -1.991 -8.756 -1.701 1.00 0.00 H new ATOM 0 HD23 LEU A 562 -3.724 -8.791 -2.105 1.00 0.00 H new ATOM 389 N LEU A 563 -3.547 -7.713 0.984 1.00 0.00 N ATOM 390 CA LEU A 563 -3.446 -8.868 1.869 1.00 0.00 C ATOM 391 C LEU A 563 -4.824 -9.304 2.356 1.00 0.00 C ATOM 392 O LEU A 563 -5.123 -10.496 2.417 1.00 0.00 O ATOM 393 CB LEU A 563 -2.549 -8.540 3.065 1.00 0.00 C ATOM 394 CG LEU A 563 -2.084 -9.732 3.901 1.00 0.00 C ATOM 395 CD1 LEU A 563 -0.732 -10.230 3.417 1.00 0.00 C ATOM 396 CD2 LEU A 563 -2.019 -9.357 5.375 1.00 0.00 C ATOM 0 H LEU A 563 -2.945 -6.931 1.240 1.00 0.00 H new ATOM 0 HA LEU A 563 -3.005 -9.690 1.305 1.00 0.00 H new ATOM 0 HB2 LEU A 563 -1.668 -8.012 2.699 1.00 0.00 H new ATOM 0 HB3 LEU A 563 -3.085 -7.851 3.718 1.00 0.00 H new ATOM 0 HG LEU A 563 -2.808 -10.538 3.782 1.00 0.00 H new ATOM 0 HD11 LEU A 563 -0.418 -11.079 4.025 1.00 0.00 H new ATOM 0 HD12 LEU A 563 -0.810 -10.539 2.375 1.00 0.00 H new ATOM 0 HD13 LEU A 563 0.003 -9.430 3.504 1.00 0.00 H new ATOM 0 HD21 LEU A 563 -1.686 -10.218 5.955 1.00 0.00 H new ATOM 0 HD22 LEU A 563 -1.317 -8.534 5.511 1.00 0.00 H new ATOM 0 HD23 LEU A 563 -3.008 -9.050 5.716 1.00 0.00 H new ATOM 408 N GLY A 564 -5.660 -8.329 2.701 1.00 0.00 N ATOM 409 CA GLY A 564 -6.997 -8.633 3.176 1.00 0.00 C ATOM 410 C GLY A 564 -7.789 -9.465 2.187 1.00 0.00 C ATOM 411 O GLY A 564 -8.258 -10.554 2.519 1.00 0.00 O ATOM 0 H GLY A 564 -5.435 -7.335 2.660 1.00 0.00 H new ATOM 0 HA2 GLY A 564 -6.930 -9.167 4.124 1.00 0.00 H new ATOM 0 HA3 GLY A 564 -7.530 -7.703 3.372 1.00 0.00 H new ATOM 673 N GLY B 542 -3.687 20.878 -0.719 1.00 0.00 N ATOM 674 CA GLY B 542 -3.535 19.527 -0.210 1.00 0.00 C ATOM 675 C GLY B 542 -3.357 18.507 -1.317 1.00 0.00 C ATOM 676 O GLY B 542 -3.404 17.300 -1.073 1.00 0.00 O ATOM 0 HA2 GLY B 542 -2.674 19.488 0.457 1.00 0.00 H new ATOM 0 HA3 GLY B 542 -4.411 19.265 0.384 1.00 0.00 H new ATOM 680 N LEU B 543 -3.156 18.990 -2.537 1.00 0.00 N ATOM 681 CA LEU B 543 -2.973 18.111 -3.688 1.00 0.00 C ATOM 682 C LEU B 543 -1.932 18.680 -4.646 1.00 0.00 C ATOM 683 O LEU B 543 -2.073 19.799 -5.143 1.00 0.00 O ATOM 684 CB LEU B 543 -4.302 17.911 -4.418 1.00 0.00 C ATOM 685 CG LEU B 543 -4.282 16.923 -5.585 1.00 0.00 C ATOM 686 CD1 LEU B 543 -3.665 17.564 -6.817 1.00 0.00 C ATOM 687 CD2 LEU B 543 -3.525 15.660 -5.202 1.00 0.00 C ATOM 0 H LEU B 543 -3.115 19.985 -2.756 1.00 0.00 H new ATOM 0 HA LEU B 543 -2.617 17.146 -3.326 1.00 0.00 H new ATOM 0 HB2 LEU B 543 -5.044 17.574 -3.695 1.00 0.00 H new ATOM 0 HB3 LEU B 543 -4.638 18.878 -4.792 1.00 0.00 H new ATOM 0 HG LEU B 543 -5.310 16.648 -5.821 1.00 0.00 H new ATOM 0 HD11 LEU B 543 -3.660 16.846 -7.637 1.00 0.00 H new ATOM 0 HD12 LEU B 543 -4.250 18.438 -7.104 1.00 0.00 H new ATOM 0 HD13 LEU B 543 -2.642 17.869 -6.595 1.00 0.00 H new ATOM 0 HD21 LEU B 543 -3.521 14.969 -6.045 1.00 0.00 H new ATOM 0 HD22 LEU B 543 -2.499 15.917 -4.938 1.00 0.00 H new ATOM 0 HD23 LEU B 543 -4.012 15.189 -4.348 1.00 0.00 H new ATOM 699 N THR B 544 -0.885 17.903 -4.907 1.00 0.00 N ATOM 700 CA THR B 544 0.178 18.328 -5.807 1.00 0.00 C ATOM 701 C THR B 544 0.671 17.167 -6.663 1.00 0.00 C ATOM 702 O THR B 544 0.471 16.001 -6.322 1.00 0.00 O ATOM 703 CB THR B 544 1.370 18.919 -5.030 1.00 0.00 C ATOM 704 OG1 THR B 544 2.385 17.924 -4.858 1.00 0.00 O ATOM 705 CG2 THR B 544 0.925 19.436 -3.670 1.00 0.00 C ATOM 0 H THR B 544 -0.751 16.975 -4.506 1.00 0.00 H new ATOM 0 HA THR B 544 -0.244 19.099 -6.452 1.00 0.00 H new ATOM 0 HB THR B 544 1.773 19.753 -5.605 1.00 0.00 H new ATOM 0 HG1 THR B 544 3.140 18.308 -4.365 1.00 0.00 H new ATOM 0 HG21 THR B 544 1.783 19.849 -3.139 1.00 0.00 H new ATOM 0 HG22 THR B 544 0.173 20.214 -3.805 1.00 0.00 H new ATOM 0 HG23 THR B 544 0.500 18.617 -3.091 1.00 0.00 H new ATOM 713 N GLY B 545 1.318 17.493 -7.779 1.00 0.00 N ATOM 714 CA GLY B 545 1.829 16.465 -8.666 1.00 0.00 C ATOM 715 C GLY B 545 2.655 15.425 -7.935 1.00 0.00 C ATOM 716 O GLY B 545 2.498 14.226 -8.161 1.00 0.00 O ATOM 0 H GLY B 545 1.497 18.450 -8.084 1.00 0.00 H new ATOM 0 HA2 GLY B 545 0.995 15.975 -9.167 1.00 0.00 H new ATOM 0 HA3 GLY B 545 2.439 16.929 -9.441 1.00 0.00 H new ATOM 720 N GLY B 546 3.540 15.885 -7.055 1.00 0.00 N ATOM 721 CA GLY B 546 4.381 14.974 -6.303 1.00 0.00 C ATOM 722 C GLY B 546 3.580 14.045 -5.413 1.00 0.00 C ATOM 723 O GLY B 546 3.979 12.905 -5.176 1.00 0.00 O ATOM 0 H GLY B 546 3.689 16.873 -6.850 1.00 0.00 H new ATOM 0 HA2 GLY B 546 4.980 14.382 -6.995 1.00 0.00 H new ATOM 0 HA3 GLY B 546 5.076 15.548 -5.691 1.00 0.00 H new ATOM 727 N GLU B 547 2.447 14.534 -4.918 1.00 0.00 N ATOM 728 CA GLU B 547 1.590 13.739 -4.046 1.00 0.00 C ATOM 729 C GLU B 547 0.947 12.589 -4.817 1.00 0.00 C ATOM 730 O GLU B 547 0.862 11.466 -4.319 1.00 0.00 O ATOM 731 CB GLU B 547 0.504 14.619 -3.423 1.00 0.00 C ATOM 732 CG GLU B 547 1.012 15.971 -2.952 1.00 0.00 C ATOM 733 CD GLU B 547 0.250 16.496 -1.752 1.00 0.00 C ATOM 734 OE1 GLU B 547 -0.797 17.148 -1.953 1.00 0.00 O ATOM 735 OE2 GLU B 547 0.698 16.255 -0.612 1.00 0.00 O ATOM 0 H GLU B 547 2.102 15.475 -5.106 1.00 0.00 H new ATOM 0 HA GLU B 547 2.209 13.321 -3.253 1.00 0.00 H new ATOM 0 HB2 GLU B 547 -0.290 14.773 -4.153 1.00 0.00 H new ATOM 0 HB3 GLU B 547 0.062 14.092 -2.578 1.00 0.00 H new ATOM 0 HG2 GLU B 547 2.069 15.889 -2.699 1.00 0.00 H new ATOM 0 HG3 GLU B 547 0.934 16.688 -3.769 1.00 0.00 H new ATOM 742 N ILE B 548 0.496 12.878 -6.032 1.00 0.00 N ATOM 743 CA ILE B 548 -0.137 11.869 -6.872 1.00 0.00 C ATOM 744 C ILE B 548 0.855 10.782 -7.269 1.00 0.00 C ATOM 745 O ILE B 548 0.619 9.596 -7.037 1.00 0.00 O ATOM 746 CB ILE B 548 -0.736 12.492 -8.147 1.00 0.00 C ATOM 747 CG1 ILE B 548 -1.965 13.335 -7.801 1.00 0.00 C ATOM 748 CG2 ILE B 548 -1.096 11.405 -9.148 1.00 0.00 C ATOM 749 CD1 ILE B 548 -1.696 14.823 -7.794 1.00 0.00 C ATOM 0 H ILE B 548 0.557 13.803 -6.457 1.00 0.00 H new ATOM 0 HA ILE B 548 -0.940 11.427 -6.282 1.00 0.00 H new ATOM 0 HB ILE B 548 0.011 13.144 -8.601 1.00 0.00 H new ATOM 0 HG12 ILE B 548 -2.756 13.121 -8.519 1.00 0.00 H new ATOM 0 HG13 ILE B 548 -2.336 13.037 -6.820 1.00 0.00 H new ATOM 0 HG21 ILE B 548 -1.518 11.861 -10.044 1.00 0.00 H new ATOM 0 HG22 ILE B 548 -0.200 10.844 -9.414 1.00 0.00 H new ATOM 0 HG23 ILE B 548 -1.828 10.730 -8.705 1.00 0.00 H new ATOM 0 HD11 ILE B 548 -2.612 15.357 -7.541 1.00 0.00 H new ATOM 0 HD12 ILE B 548 -0.927 15.050 -7.055 1.00 0.00 H new ATOM 0 HD13 ILE B 548 -1.355 15.136 -8.781 1.00 0.00 H new ATOM 761 N VAL B 549 1.969 11.194 -7.866 1.00 0.00 N ATOM 762 CA VAL B 549 3.000 10.255 -8.293 1.00 0.00 C ATOM 763 C VAL B 549 3.532 9.450 -7.112 1.00 0.00 C ATOM 764 O VAL B 549 3.947 8.302 -7.268 1.00 0.00 O ATOM 765 CB VAL B 549 4.174 10.982 -8.974 1.00 0.00 C ATOM 766 CG1 VAL B 549 3.659 12.016 -9.964 1.00 0.00 C ATOM 767 CG2 VAL B 549 5.075 11.631 -7.935 1.00 0.00 C ATOM 0 H VAL B 549 2.181 12.172 -8.065 1.00 0.00 H new ATOM 0 HA VAL B 549 2.535 9.579 -9.011 1.00 0.00 H new ATOM 0 HB VAL B 549 4.763 10.248 -9.524 1.00 0.00 H new ATOM 0 HG11 VAL B 549 4.503 12.520 -10.436 1.00 0.00 H new ATOM 0 HG12 VAL B 549 3.059 11.521 -10.728 1.00 0.00 H new ATOM 0 HG13 VAL B 549 3.046 12.749 -9.439 1.00 0.00 H new ATOM 0 HG21 VAL B 549 5.899 12.140 -8.435 1.00 0.00 H new ATOM 0 HG22 VAL B 549 4.500 12.354 -7.355 1.00 0.00 H new ATOM 0 HG23 VAL B 549 5.472 10.865 -7.269 1.00 0.00 H new ATOM 777 N ALA B 550 3.518 10.060 -5.932 1.00 0.00 N ATOM 778 CA ALA B 550 3.996 9.399 -4.725 1.00 0.00 C ATOM 779 C ALA B 550 3.065 8.263 -4.314 1.00 0.00 C ATOM 780 O ALA B 550 3.514 7.155 -4.021 1.00 0.00 O ATOM 781 CB ALA B 550 4.135 10.405 -3.591 1.00 0.00 C ATOM 0 H ALA B 550 3.181 11.011 -5.786 1.00 0.00 H new ATOM 0 HA ALA B 550 4.975 8.972 -4.940 1.00 0.00 H new ATOM 0 HB1 ALA B 550 4.493 9.897 -2.696 1.00 0.00 H new ATOM 0 HB2 ALA B 550 4.846 11.180 -3.877 1.00 0.00 H new ATOM 0 HB3 ALA B 550 3.166 10.860 -3.387 1.00 0.00 H new ATOM 787 N VAL B 551 1.767 8.545 -4.297 1.00 0.00 N ATOM 788 CA VAL B 551 0.772 7.546 -3.924 1.00 0.00 C ATOM 789 C VAL B 551 0.830 6.340 -4.852 1.00 0.00 C ATOM 790 O VAL B 551 0.816 5.194 -4.400 1.00 0.00 O ATOM 791 CB VAL B 551 -0.651 8.134 -3.951 1.00 0.00 C ATOM 792 CG1 VAL B 551 -1.687 7.032 -3.798 1.00 0.00 C ATOM 793 CG2 VAL B 551 -0.814 9.185 -2.863 1.00 0.00 C ATOM 0 H VAL B 551 1.379 9.457 -4.537 1.00 0.00 H new ATOM 0 HA VAL B 551 1.007 7.230 -2.908 1.00 0.00 H new ATOM 0 HB VAL B 551 -0.808 8.616 -4.916 1.00 0.00 H new ATOM 0 HG11 VAL B 551 -2.686 7.467 -3.819 1.00 0.00 H new ATOM 0 HG12 VAL B 551 -1.584 6.319 -4.616 1.00 0.00 H new ATOM 0 HG13 VAL B 551 -1.535 6.519 -2.848 1.00 0.00 H new ATOM 0 HG21 VAL B 551 -1.825 9.590 -2.897 1.00 0.00 H new ATOM 0 HG22 VAL B 551 -0.638 8.730 -1.888 1.00 0.00 H new ATOM 0 HG23 VAL B 551 -0.096 9.989 -3.023 1.00 0.00 H new ATOM 803 N ILE B 552 0.895 6.603 -6.153 1.00 0.00 N ATOM 804 CA ILE B 552 0.957 5.539 -7.147 1.00 0.00 C ATOM 805 C ILE B 552 2.275 4.777 -7.054 1.00 0.00 C ATOM 806 O ILE B 552 2.340 3.587 -7.368 1.00 0.00 O ATOM 807 CB ILE B 552 0.795 6.090 -8.575 1.00 0.00 C ATOM 808 CG1 ILE B 552 0.843 4.950 -9.595 1.00 0.00 C ATOM 809 CG2 ILE B 552 1.875 7.119 -8.871 1.00 0.00 C ATOM 810 CD1 ILE B 552 0.657 5.409 -11.024 1.00 0.00 C ATOM 0 H ILE B 552 0.906 7.545 -6.543 1.00 0.00 H new ATOM 0 HA ILE B 552 0.131 4.860 -6.934 1.00 0.00 H new ATOM 0 HB ILE B 552 -0.176 6.579 -8.651 1.00 0.00 H new ATOM 0 HG12 ILE B 552 1.801 4.436 -9.509 1.00 0.00 H new ATOM 0 HG13 ILE B 552 0.068 4.223 -9.352 1.00 0.00 H new ATOM 0 HG21 ILE B 552 1.747 7.499 -9.884 1.00 0.00 H new ATOM 0 HG22 ILE B 552 1.797 7.943 -8.162 1.00 0.00 H new ATOM 0 HG23 ILE B 552 2.856 6.653 -8.779 1.00 0.00 H new ATOM 0 HD11 ILE B 552 0.703 4.548 -11.691 1.00 0.00 H new ATOM 0 HD12 ILE B 552 -0.312 5.897 -11.126 1.00 0.00 H new ATOM 0 HD13 ILE B 552 1.447 6.113 -11.286 1.00 0.00 H new ATOM 822 N PHE B 553 3.323 5.470 -6.622 1.00 0.00 N ATOM 823 CA PHE B 553 4.640 4.858 -6.488 1.00 0.00 C ATOM 824 C PHE B 553 4.639 3.798 -5.391 1.00 0.00 C ATOM 825 O PHE B 553 5.085 2.671 -5.600 1.00 0.00 O ATOM 826 CB PHE B 553 5.692 5.926 -6.179 1.00 0.00 C ATOM 827 CG PHE B 553 7.096 5.491 -6.490 1.00 0.00 C ATOM 828 CD1 PHE B 553 7.670 4.425 -5.818 1.00 0.00 C ATOM 829 CD2 PHE B 553 7.841 6.150 -7.455 1.00 0.00 C ATOM 830 CE1 PHE B 553 8.962 4.022 -6.102 1.00 0.00 C ATOM 831 CE2 PHE B 553 9.133 5.751 -7.744 1.00 0.00 C ATOM 832 CZ PHE B 553 9.694 4.688 -7.066 1.00 0.00 C ATOM 0 H PHE B 553 3.286 6.455 -6.359 1.00 0.00 H new ATOM 0 HA PHE B 553 4.887 4.376 -7.434 1.00 0.00 H new ATOM 0 HB2 PHE B 553 5.464 6.826 -6.750 1.00 0.00 H new ATOM 0 HB3 PHE B 553 5.628 6.193 -5.124 1.00 0.00 H new ATOM 0 HD1 PHE B 553 7.102 3.902 -5.063 1.00 0.00 H new ATOM 0 HD2 PHE B 553 7.408 6.984 -7.987 1.00 0.00 H new ATOM 0 HE1 PHE B 553 9.398 3.188 -5.571 1.00 0.00 H new ATOM 0 HE2 PHE B 553 9.703 6.271 -8.500 1.00 0.00 H new ATOM 0 HZ PHE B 553 10.704 4.377 -7.289 1.00 0.00 H new ATOM 842 N GLY B 554 4.133 4.169 -4.218 1.00 0.00 N ATOM 843 CA GLY B 554 4.083 3.240 -3.104 1.00 0.00 C ATOM 844 C GLY B 554 2.957 2.233 -3.239 1.00 0.00 C ATOM 845 O GLY B 554 3.061 1.106 -2.755 1.00 0.00 O ATOM 0 H GLY B 554 3.757 5.096 -4.020 1.00 0.00 H new ATOM 0 HA2 GLY B 554 5.033 2.711 -3.033 1.00 0.00 H new ATOM 0 HA3 GLY B 554 3.959 3.797 -2.175 1.00 0.00 H new ATOM 849 N LEU B 555 1.877 2.641 -3.896 1.00 0.00 N ATOM 850 CA LEU B 555 0.725 1.767 -4.091 1.00 0.00 C ATOM 851 C LEU B 555 1.044 0.661 -5.093 1.00 0.00 C ATOM 852 O LEU B 555 0.676 -0.498 -4.892 1.00 0.00 O ATOM 853 CB LEU B 555 -0.479 2.578 -4.576 1.00 0.00 C ATOM 854 CG LEU B 555 -1.609 1.778 -5.224 1.00 0.00 C ATOM 855 CD1 LEU B 555 -2.161 0.747 -4.250 1.00 0.00 C ATOM 856 CD2 LEU B 555 -2.715 2.709 -5.701 1.00 0.00 C ATOM 0 H LEU B 555 1.775 3.571 -4.303 1.00 0.00 H new ATOM 0 HA LEU B 555 0.483 1.306 -3.133 1.00 0.00 H new ATOM 0 HB2 LEU B 555 -0.889 3.126 -3.727 1.00 0.00 H new ATOM 0 HB3 LEU B 555 -0.127 3.319 -5.294 1.00 0.00 H new ATOM 0 HG LEU B 555 -1.206 1.251 -6.089 1.00 0.00 H new ATOM 0 HD11 LEU B 555 -2.964 0.187 -4.729 1.00 0.00 H new ATOM 0 HD12 LEU B 555 -1.366 0.061 -3.957 1.00 0.00 H new ATOM 0 HD13 LEU B 555 -2.549 1.253 -3.366 1.00 0.00 H new ATOM 0 HD21 LEU B 555 -3.511 2.123 -6.160 1.00 0.00 H new ATOM 0 HD22 LEU B 555 -3.115 3.263 -4.852 1.00 0.00 H new ATOM 0 HD23 LEU B 555 -2.311 3.408 -6.433 1.00 0.00 H new ATOM 868 N LEU B 556 1.732 1.026 -6.169 1.00 0.00 N ATOM 869 CA LEU B 556 2.103 0.064 -7.201 1.00 0.00 C ATOM 870 C LEU B 556 3.211 -0.862 -6.710 1.00 0.00 C ATOM 871 O LEU B 556 3.055 -2.084 -6.701 1.00 0.00 O ATOM 872 CB LEU B 556 2.556 0.794 -8.467 1.00 0.00 C ATOM 873 CG LEU B 556 1.445 1.368 -9.346 1.00 0.00 C ATOM 874 CD1 LEU B 556 2.034 2.082 -10.552 1.00 0.00 C ATOM 875 CD2 LEU B 556 0.492 0.267 -9.788 1.00 0.00 C ATOM 0 H LEU B 556 2.044 1.980 -6.350 1.00 0.00 H new ATOM 0 HA LEU B 556 1.226 -0.541 -7.432 1.00 0.00 H new ATOM 0 HB2 LEU B 556 3.218 1.609 -8.175 1.00 0.00 H new ATOM 0 HB3 LEU B 556 3.147 0.103 -9.068 1.00 0.00 H new ATOM 0 HG LEU B 556 0.882 2.094 -8.759 1.00 0.00 H new ATOM 0 HD11 LEU B 556 1.228 2.484 -11.166 1.00 0.00 H new ATOM 0 HD12 LEU B 556 2.675 2.897 -10.215 1.00 0.00 H new ATOM 0 HD13 LEU B 556 2.622 1.378 -11.141 1.00 0.00 H new ATOM 0 HD21 LEU B 556 -0.292 0.694 -10.413 1.00 0.00 H new ATOM 0 HD22 LEU B 556 1.041 -0.483 -10.357 1.00 0.00 H new ATOM 0 HD23 LEU B 556 0.044 -0.200 -8.911 1.00 0.00 H new ATOM 887 N LEU B 557 4.329 -0.273 -6.301 1.00 0.00 N ATOM 888 CA LEU B 557 5.463 -1.045 -5.805 1.00 0.00 C ATOM 889 C LEU B 557 5.104 -1.770 -4.512 1.00 0.00 C ATOM 890 O LEU B 557 5.664 -2.822 -4.202 1.00 0.00 O ATOM 891 CB LEU B 557 6.666 -0.130 -5.573 1.00 0.00 C ATOM 892 CG LEU B 557 7.476 0.242 -6.816 1.00 0.00 C ATOM 893 CD1 LEU B 557 6.788 1.356 -7.589 1.00 0.00 C ATOM 894 CD2 LEU B 557 8.889 0.653 -6.428 1.00 0.00 C ATOM 0 H LEU B 557 4.475 0.737 -6.303 1.00 0.00 H new ATOM 0 HA LEU B 557 5.721 -1.790 -6.558 1.00 0.00 H new ATOM 0 HB2 LEU B 557 6.313 0.789 -5.105 1.00 0.00 H new ATOM 0 HB3 LEU B 557 7.334 -0.614 -4.860 1.00 0.00 H new ATOM 0 HG LEU B 557 7.538 -0.634 -7.461 1.00 0.00 H new ATOM 0 HD11 LEU B 557 7.379 1.607 -8.470 1.00 0.00 H new ATOM 0 HD12 LEU B 557 5.797 1.025 -7.899 1.00 0.00 H new ATOM 0 HD13 LEU B 557 6.694 2.236 -6.953 1.00 0.00 H new ATOM 0 HD21 LEU B 557 9.451 0.914 -7.325 1.00 0.00 H new ATOM 0 HD22 LEU B 557 8.847 1.515 -5.762 1.00 0.00 H new ATOM 0 HD23 LEU B 557 9.382 -0.175 -5.919 1.00 0.00 H new ATOM 906 N GLY B 558 4.166 -1.201 -3.761 1.00 0.00 N ATOM 907 CA GLY B 558 3.748 -1.808 -2.511 1.00 0.00 C ATOM 908 C GLY B 558 3.003 -3.111 -2.720 1.00 0.00 C ATOM 909 O GLY B 558 3.414 -4.157 -2.218 1.00 0.00 O ATOM 0 H GLY B 558 3.688 -0.331 -3.996 1.00 0.00 H new ATOM 0 HA2 GLY B 558 4.624 -1.990 -1.888 1.00 0.00 H new ATOM 0 HA3 GLY B 558 3.110 -1.111 -1.968 1.00 0.00 H new ATOM 913 N ALA B 559 1.902 -3.048 -3.461 1.00 0.00 N ATOM 914 CA ALA B 559 1.097 -4.233 -3.735 1.00 0.00 C ATOM 915 C ALA B 559 1.855 -5.220 -4.616 1.00 0.00 C ATOM 916 O ALA B 559 1.823 -6.428 -4.381 1.00 0.00 O ATOM 917 CB ALA B 559 -0.217 -3.838 -4.393 1.00 0.00 C ATOM 0 H ALA B 559 1.547 -2.190 -3.882 1.00 0.00 H new ATOM 0 HA ALA B 559 0.883 -4.723 -2.785 1.00 0.00 H new ATOM 0 HB1 ALA B 559 -0.808 -4.732 -4.592 1.00 0.00 H new ATOM 0 HB2 ALA B 559 -0.773 -3.177 -3.728 1.00 0.00 H new ATOM 0 HB3 ALA B 559 -0.013 -3.322 -5.331 1.00 0.00 H new ATOM 923 N ALA B 560 2.538 -4.698 -5.630 1.00 0.00 N ATOM 924 CA ALA B 560 3.305 -5.534 -6.544 1.00 0.00 C ATOM 925 C ALA B 560 4.288 -6.420 -5.785 1.00 0.00 C ATOM 926 O ALA B 560 4.233 -7.647 -5.879 1.00 0.00 O ATOM 927 CB ALA B 560 4.044 -4.670 -7.555 1.00 0.00 C ATOM 0 H ALA B 560 2.575 -3.700 -5.839 1.00 0.00 H new ATOM 0 HA ALA B 560 2.608 -6.182 -7.076 1.00 0.00 H new ATOM 0 HB1 ALA B 560 4.613 -5.308 -8.232 1.00 0.00 H new ATOM 0 HB2 ALA B 560 3.325 -4.084 -8.127 1.00 0.00 H new ATOM 0 HB3 ALA B 560 4.724 -3.998 -7.031 1.00 0.00 H new ATOM 933 N LEU B 561 5.184 -5.792 -5.033 1.00 0.00 N ATOM 934 CA LEU B 561 6.180 -6.523 -4.258 1.00 0.00 C ATOM 935 C LEU B 561 5.510 -7.488 -3.285 1.00 0.00 C ATOM 936 O LEU B 561 5.978 -8.610 -3.086 1.00 0.00 O ATOM 937 CB LEU B 561 7.075 -5.548 -3.492 1.00 0.00 C ATOM 938 CG LEU B 561 8.226 -6.173 -2.702 1.00 0.00 C ATOM 939 CD1 LEU B 561 9.262 -6.764 -3.645 1.00 0.00 C ATOM 940 CD2 LEU B 561 8.865 -5.140 -1.784 1.00 0.00 C ATOM 0 H LEU B 561 5.242 -4.778 -4.943 1.00 0.00 H new ATOM 0 HA LEU B 561 6.792 -7.100 -4.951 1.00 0.00 H new ATOM 0 HB2 LEU B 561 7.493 -4.835 -4.203 1.00 0.00 H new ATOM 0 HB3 LEU B 561 6.452 -4.981 -2.801 1.00 0.00 H new ATOM 0 HG LEU B 561 7.824 -6.978 -2.087 1.00 0.00 H new ATOM 0 HD11 LEU B 561 10.073 -7.204 -3.065 1.00 0.00 H new ATOM 0 HD12 LEU B 561 8.797 -7.534 -4.260 1.00 0.00 H new ATOM 0 HD13 LEU B 561 9.660 -5.978 -4.287 1.00 0.00 H new ATOM 0 HD21 LEU B 561 9.682 -5.602 -1.230 1.00 0.00 H new ATOM 0 HD22 LEU B 561 9.252 -4.314 -2.380 1.00 0.00 H new ATOM 0 HD23 LEU B 561 8.119 -4.764 -1.084 1.00 0.00 H new ATOM 952 N LEU B 562 4.412 -7.046 -2.683 1.00 0.00 N ATOM 953 CA LEU B 562 3.676 -7.871 -1.731 1.00 0.00 C ATOM 954 C LEU B 562 3.182 -9.154 -2.392 1.00 0.00 C ATOM 955 O LEU B 562 3.512 -10.257 -1.956 1.00 0.00 O ATOM 956 CB LEU B 562 2.492 -7.091 -1.157 1.00 0.00 C ATOM 957 CG LEU B 562 1.563 -7.869 -0.225 1.00 0.00 C ATOM 958 CD1 LEU B 562 2.006 -7.711 1.221 1.00 0.00 C ATOM 959 CD2 LEU B 562 0.125 -7.406 -0.398 1.00 0.00 C ATOM 0 H LEU B 562 4.011 -6.121 -2.837 1.00 0.00 H new ATOM 0 HA LEU B 562 4.353 -8.138 -0.920 1.00 0.00 H new ATOM 0 HB2 LEU B 562 2.880 -6.229 -0.614 1.00 0.00 H new ATOM 0 HB3 LEU B 562 1.901 -6.705 -1.987 1.00 0.00 H new ATOM 0 HG LEU B 562 1.617 -8.926 -0.487 1.00 0.00 H new ATOM 0 HD11 LEU B 562 1.334 -8.271 1.871 1.00 0.00 H new ATOM 0 HD12 LEU B 562 3.021 -8.092 1.334 1.00 0.00 H new ATOM 0 HD13 LEU B 562 1.981 -6.657 1.496 1.00 0.00 H new ATOM 0 HD21 LEU B 562 -0.522 -7.971 0.273 1.00 0.00 H new ATOM 0 HD22 LEU B 562 0.054 -6.344 -0.163 1.00 0.00 H new ATOM 0 HD23 LEU B 562 -0.189 -7.571 -1.429 1.00 0.00 H new