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= -1.03 USER MOD Single : B 544 THR OG1 : rot 180:sc= -1.09 USER MOD ----------------------------------------------------------------- ATOM 98 N LEU A 543 11.635 16.258 -3.381 1.00 0.00 N ATOM 99 CA LEU A 543 11.188 15.629 -2.144 1.00 0.00 C ATOM 100 C LEU A 543 10.448 16.627 -1.260 1.00 0.00 C ATOM 101 O LEU A 543 10.991 17.669 -0.892 1.00 0.00 O ATOM 102 CB LEU A 543 12.382 15.046 -1.385 1.00 0.00 C ATOM 103 CG LEU A 543 12.052 14.271 -0.109 1.00 0.00 C ATOM 104 CD1 LEU A 543 11.751 15.227 1.034 1.00 0.00 C ATOM 105 CD2 LEU A 543 10.880 13.330 -0.345 1.00 0.00 C ATOM 0 HA LEU A 543 10.501 14.824 -2.404 1.00 0.00 H new ATOM 0 HB2 LEU A 543 12.927 14.384 -2.058 1.00 0.00 H new ATOM 0 HB3 LEU A 543 13.056 15.862 -1.126 1.00 0.00 H new ATOM 0 HG LEU A 543 12.921 13.673 0.166 1.00 0.00 H new ATOM 0 HD11 LEU A 543 11.518 14.657 1.933 1.00 0.00 H new ATOM 0 HD12 LEU A 543 12.620 15.858 1.219 1.00 0.00 H new ATOM 0 HD13 LEU A 543 10.898 15.852 0.770 1.00 0.00 H new ATOM 0 HD21 LEU A 543 10.659 12.787 0.574 1.00 0.00 H new ATOM 0 HD22 LEU A 543 10.005 13.907 -0.645 1.00 0.00 H new ATOM 0 HD23 LEU A 543 11.135 12.622 -1.133 1.00 0.00 H new ATOM 117 N THR A 544 9.204 16.302 -0.923 1.00 0.00 N ATOM 118 CA THR A 544 8.388 17.169 -0.082 1.00 0.00 C ATOM 119 C THR A 544 7.545 16.356 0.893 1.00 0.00 C ATOM 120 O THR A 544 7.310 15.166 0.684 1.00 0.00 O ATOM 121 CB THR A 544 7.459 18.059 -0.927 1.00 0.00 C ATOM 122 OG1 THR A 544 6.152 17.478 -0.995 1.00 0.00 O ATOM 123 CG2 THR A 544 8.013 18.239 -2.333 1.00 0.00 C ATOM 0 H THR A 544 8.739 15.444 -1.220 1.00 0.00 H new ATOM 0 HA THR A 544 9.076 17.803 0.478 1.00 0.00 H new ATOM 0 HB THR A 544 7.397 19.037 -0.450 1.00 0.00 H new ATOM 0 HG1 THR A 544 5.857 17.444 -1.929 1.00 0.00 H new ATOM 0 HG21 THR A 544 7.339 18.871 -2.911 1.00 0.00 H new ATOM 0 HG22 THR A 544 8.995 18.708 -2.280 1.00 0.00 H new ATOM 0 HG23 THR A 544 8.102 17.266 -2.816 1.00 0.00 H new ATOM 131 N GLY A 545 7.091 17.006 1.962 1.00 0.00 N ATOM 132 CA GLY A 545 6.278 16.325 2.953 1.00 0.00 C ATOM 133 C GLY A 545 5.117 15.574 2.334 1.00 0.00 C ATOM 134 O GLY A 545 4.853 14.426 2.688 1.00 0.00 O ATOM 0 H GLY A 545 7.272 17.990 2.159 1.00 0.00 H new ATOM 0 HA2 GLY A 545 6.901 15.627 3.512 1.00 0.00 H new ATOM 0 HA3 GLY A 545 5.896 17.054 3.668 1.00 0.00 H new ATOM 138 N GLY A 546 4.419 16.224 1.407 1.00 0.00 N ATOM 139 CA GLY A 546 3.286 15.595 0.755 1.00 0.00 C ATOM 140 C GLY A 546 3.681 14.353 -0.020 1.00 0.00 C ATOM 141 O GLY A 546 2.898 13.410 -0.132 1.00 0.00 O ATOM 0 H GLY A 546 4.618 17.175 1.096 1.00 0.00 H new ATOM 0 HA2 GLY A 546 2.540 15.330 1.504 1.00 0.00 H new ATOM 0 HA3 GLY A 546 2.818 16.309 0.078 1.00 0.00 H new ATOM 145 N GLU A 547 4.896 14.354 -0.558 1.00 0.00 N ATOM 146 CA GLU A 547 5.390 13.220 -1.330 1.00 0.00 C ATOM 147 C GLU A 547 5.609 12.006 -0.432 1.00 0.00 C ATOM 148 O GLU A 547 5.274 10.880 -0.800 1.00 0.00 O ATOM 149 CB GLU A 547 6.695 13.586 -2.039 1.00 0.00 C ATOM 150 CG GLU A 547 6.683 14.972 -2.660 1.00 0.00 C ATOM 151 CD GLU A 547 7.540 15.060 -3.907 1.00 0.00 C ATOM 152 OE1 GLU A 547 8.753 15.324 -3.776 1.00 0.00 O ATOM 153 OE2 GLU A 547 6.997 14.866 -5.016 1.00 0.00 O ATOM 0 H GLU A 547 5.556 15.127 -0.474 1.00 0.00 H new ATOM 0 HA GLU A 547 4.638 12.967 -2.078 1.00 0.00 H new ATOM 0 HB2 GLU A 547 7.516 13.524 -1.325 1.00 0.00 H new ATOM 0 HB3 GLU A 547 6.894 12.850 -2.818 1.00 0.00 H new ATOM 0 HG2 GLU A 547 5.658 15.246 -2.908 1.00 0.00 H new ATOM 0 HG3 GLU A 547 7.038 15.697 -1.928 1.00 0.00 H new ATOM 160 N ILE A 548 6.174 12.243 0.747 1.00 0.00 N ATOM 161 CA ILE A 548 6.437 11.171 1.698 1.00 0.00 C ATOM 162 C ILE A 548 5.138 10.555 2.207 1.00 0.00 C ATOM 163 O ILE A 548 4.930 9.346 2.108 1.00 0.00 O ATOM 164 CB ILE A 548 7.259 11.673 2.900 1.00 0.00 C ATOM 165 CG1 ILE A 548 8.695 11.981 2.471 1.00 0.00 C ATOM 166 CG2 ILE A 548 7.244 10.643 4.019 1.00 0.00 C ATOM 167 CD1 ILE A 548 8.970 13.458 2.297 1.00 0.00 C ATOM 0 H ILE A 548 6.459 13.169 1.066 1.00 0.00 H new ATOM 0 HA ILE A 548 7.012 10.413 1.166 1.00 0.00 H new ATOM 0 HB ILE A 548 6.806 12.592 3.273 1.00 0.00 H new ATOM 0 HG12 ILE A 548 9.382 11.577 3.214 1.00 0.00 H new ATOM 0 HG13 ILE A 548 8.903 11.468 1.532 1.00 0.00 H new ATOM 0 HG21 ILE A 548 7.829 11.012 4.861 1.00 0.00 H new ATOM 0 HG22 ILE A 548 6.217 10.469 4.339 1.00 0.00 H new ATOM 0 HG23 ILE A 548 7.675 9.709 3.659 1.00 0.00 H new ATOM 0 HD11 ILE A 548 10.007 13.602 1.992 1.00 0.00 H new ATOM 0 HD12 ILE A 548 8.308 13.864 1.532 1.00 0.00 H new ATOM 0 HD13 ILE A 548 8.794 13.974 3.241 1.00 0.00 H new ATOM 179 N VAL A 549 4.263 11.397 2.750 1.00 0.00 N ATOM 180 CA VAL A 549 2.982 10.936 3.272 1.00 0.00 C ATOM 181 C VAL A 549 2.160 10.252 2.185 1.00 0.00 C ATOM 182 O VAL A 549 1.373 9.349 2.465 1.00 0.00 O ATOM 183 CB VAL A 549 2.165 12.102 3.861 1.00 0.00 C ATOM 184 CG1 VAL A 549 3.046 12.988 4.727 1.00 0.00 C ATOM 185 CG2 VAL A 549 1.511 12.909 2.749 1.00 0.00 C ATOM 0 H VAL A 549 4.418 12.401 2.840 1.00 0.00 H new ATOM 0 HA VAL A 549 3.201 10.219 4.063 1.00 0.00 H new ATOM 0 HB VAL A 549 1.377 11.689 4.491 1.00 0.00 H new ATOM 0 HG11 VAL A 549 2.451 13.806 5.134 1.00 0.00 H new ATOM 0 HG12 VAL A 549 3.462 12.400 5.545 1.00 0.00 H new ATOM 0 HG13 VAL A 549 3.858 13.395 4.124 1.00 0.00 H new ATOM 0 HG21 VAL A 549 0.938 13.728 3.183 1.00 0.00 H new ATOM 0 HG22 VAL A 549 2.281 13.313 2.091 1.00 0.00 H new ATOM 0 HG23 VAL A 549 0.845 12.265 2.175 1.00 0.00 H new ATOM 195 N ALA A 550 2.351 10.688 0.944 1.00 0.00 N ATOM 196 CA ALA A 550 1.628 10.116 -0.186 1.00 0.00 C ATOM 197 C ALA A 550 2.078 8.684 -0.455 1.00 0.00 C ATOM 198 O ALA A 550 1.253 7.784 -0.618 1.00 0.00 O ATOM 199 CB ALA A 550 1.824 10.974 -1.426 1.00 0.00 C ATOM 0 H ALA A 550 3.000 11.435 0.696 1.00 0.00 H new ATOM 0 HA ALA A 550 0.567 10.096 0.064 1.00 0.00 H new ATOM 0 HB1 ALA A 550 1.279 10.535 -2.262 1.00 0.00 H new ATOM 0 HB2 ALA A 550 1.449 11.980 -1.236 1.00 0.00 H new ATOM 0 HB3 ALA A 550 2.885 11.023 -1.671 1.00 0.00 H new ATOM 205 N VAL A 551 3.390 8.478 -0.502 1.00 0.00 N ATOM 206 CA VAL A 551 3.949 7.156 -0.752 1.00 0.00 C ATOM 207 C VAL A 551 3.497 6.158 0.309 1.00 0.00 C ATOM 208 O VAL A 551 3.066 5.050 -0.010 1.00 0.00 O ATOM 209 CB VAL A 551 5.489 7.193 -0.782 1.00 0.00 C ATOM 210 CG1 VAL A 551 6.058 5.782 -0.761 1.00 0.00 C ATOM 211 CG2 VAL A 551 5.979 7.957 -2.003 1.00 0.00 C ATOM 0 H VAL A 551 4.086 9.211 -0.370 1.00 0.00 H new ATOM 0 HA VAL A 551 3.581 6.837 -1.727 1.00 0.00 H new ATOM 0 HB VAL A 551 5.841 7.713 0.109 1.00 0.00 H new ATOM 0 HG11 VAL A 551 7.147 5.828 -0.783 1.00 0.00 H new ATOM 0 HG12 VAL A 551 5.735 5.273 0.147 1.00 0.00 H new ATOM 0 HG13 VAL A 551 5.701 5.233 -1.632 1.00 0.00 H new ATOM 0 HG21 VAL A 551 7.069 7.974 -2.009 1.00 0.00 H new ATOM 0 HG22 VAL A 551 5.619 7.467 -2.908 1.00 0.00 H new ATOM 0 HG23 VAL A 551 5.601 8.979 -1.969 1.00 0.00 H new ATOM 221 N ILE A 552 3.599 6.560 1.571 1.00 0.00 N ATOM 222 CA ILE A 552 3.198 5.702 2.680 1.00 0.00 C ATOM 223 C ILE A 552 1.695 5.448 2.663 1.00 0.00 C ATOM 224 O ILE A 552 1.227 4.397 3.099 1.00 0.00 O ATOM 225 CB ILE A 552 3.588 6.317 4.036 1.00 0.00 C ATOM 226 CG1 ILE A 552 3.174 5.388 5.180 1.00 0.00 C ATOM 227 CG2 ILE A 552 2.947 7.687 4.202 1.00 0.00 C ATOM 228 CD1 ILE A 552 3.558 5.906 6.548 1.00 0.00 C ATOM 0 H ILE A 552 3.956 7.474 1.851 1.00 0.00 H new ATOM 0 HA ILE A 552 3.725 4.756 2.554 1.00 0.00 H new ATOM 0 HB ILE A 552 4.671 6.439 4.064 1.00 0.00 H new ATOM 0 HG12 ILE A 552 2.094 5.242 5.146 1.00 0.00 H new ATOM 0 HG13 ILE A 552 3.633 4.411 5.028 1.00 0.00 H new ATOM 0 HG21 ILE A 552 3.233 8.108 5.166 1.00 0.00 H new ATOM 0 HG22 ILE A 552 3.286 8.347 3.403 1.00 0.00 H new ATOM 0 HG23 ILE A 552 1.862 7.589 4.156 1.00 0.00 H new ATOM 0 HD11 ILE A 552 3.234 5.197 7.310 1.00 0.00 H new ATOM 0 HD12 ILE A 552 4.640 6.026 6.601 1.00 0.00 H new ATOM 0 HD13 ILE A 552 3.077 6.869 6.720 1.00 0.00 H new ATOM 240 N PHE A 553 0.942 6.418 2.155 1.00 0.00 N ATOM 241 CA PHE A 553 -0.510 6.301 2.080 1.00 0.00 C ATOM 242 C PHE A 553 -0.917 5.207 1.096 1.00 0.00 C ATOM 243 O PHE A 553 -1.706 4.323 1.426 1.00 0.00 O ATOM 244 CB PHE A 553 -1.130 7.635 1.661 1.00 0.00 C ATOM 245 CG PHE A 553 -2.585 7.757 2.015 1.00 0.00 C ATOM 246 CD1 PHE A 553 -3.520 6.897 1.465 1.00 0.00 C ATOM 247 CD2 PHE A 553 -3.016 8.732 2.900 1.00 0.00 C ATOM 248 CE1 PHE A 553 -4.860 7.007 1.788 1.00 0.00 C ATOM 249 CE2 PHE A 553 -4.354 8.848 3.229 1.00 0.00 C ATOM 250 CZ PHE A 553 -5.277 7.983 2.673 1.00 0.00 C ATOM 0 H PHE A 553 1.313 7.295 1.789 1.00 0.00 H new ATOM 0 HA PHE A 553 -0.879 6.032 3.070 1.00 0.00 H new ATOM 0 HB2 PHE A 553 -0.579 8.447 2.135 1.00 0.00 H new ATOM 0 HB3 PHE A 553 -1.015 7.758 0.584 1.00 0.00 H new ATOM 0 HD1 PHE A 553 -3.199 6.131 0.775 1.00 0.00 H new ATOM 0 HD2 PHE A 553 -2.298 9.410 3.338 1.00 0.00 H new ATOM 0 HE1 PHE A 553 -5.579 6.331 1.349 1.00 0.00 H new ATOM 0 HE2 PHE A 553 -4.677 9.613 3.919 1.00 0.00 H new ATOM 0 HZ PHE A 553 -6.322 8.070 2.930 1.00 0.00 H new ATOM 260 N GLY A 554 -0.371 5.275 -0.115 1.00 0.00 N ATOM 261 CA GLY A 554 -0.689 4.286 -1.128 1.00 0.00 C ATOM 262 C GLY A 554 -0.006 2.957 -0.874 1.00 0.00 C ATOM 263 O GLY A 554 -0.523 1.903 -1.248 1.00 0.00 O ATOM 0 H GLY A 554 0.285 5.997 -0.412 1.00 0.00 H new ATOM 0 HA2 GLY A 554 -1.768 4.136 -1.159 1.00 0.00 H new ATOM 0 HA3 GLY A 554 -0.391 4.663 -2.106 1.00 0.00 H new ATOM 267 N LEU A 555 1.160 3.003 -0.240 1.00 0.00 N ATOM 268 CA LEU A 555 1.917 1.793 0.061 1.00 0.00 C ATOM 269 C LEU A 555 1.247 0.996 1.176 1.00 0.00 C ATOM 270 O LEU A 555 1.110 -0.225 1.085 1.00 0.00 O ATOM 271 CB LEU A 555 3.349 2.150 0.463 1.00 0.00 C ATOM 272 CG LEU A 555 4.127 1.066 1.210 1.00 0.00 C ATOM 273 CD1 LEU A 555 4.209 -0.203 0.376 1.00 0.00 C ATOM 274 CD2 LEU A 555 5.520 1.561 1.571 1.00 0.00 C ATOM 0 H LEU A 555 1.602 3.866 0.076 1.00 0.00 H new ATOM 0 HA LEU A 555 1.942 1.176 -0.837 1.00 0.00 H new ATOM 0 HB2 LEU A 555 3.904 2.411 -0.438 1.00 0.00 H new ATOM 0 HB3 LEU A 555 3.318 3.043 1.088 1.00 0.00 H new ATOM 0 HG LEU A 555 3.595 0.835 2.133 1.00 0.00 H new ATOM 0 HD11 LEU A 555 4.766 -0.963 0.924 1.00 0.00 H new ATOM 0 HD12 LEU A 555 3.203 -0.569 0.170 1.00 0.00 H new ATOM 0 HD13 LEU A 555 4.717 0.012 -0.564 1.00 0.00 H new ATOM 0 HD21 LEU A 555 6.059 0.776 2.102 1.00 0.00 H new ATOM 0 HD22 LEU A 555 6.061 1.821 0.661 1.00 0.00 H new ATOM 0 HD23 LEU A 555 5.439 2.441 2.209 1.00 0.00 H new ATOM 286 N LEU A 556 0.831 1.694 2.227 1.00 0.00 N ATOM 287 CA LEU A 556 0.174 1.052 3.360 1.00 0.00 C ATOM 288 C LEU A 556 -1.208 0.538 2.967 1.00 0.00 C ATOM 289 O LEU A 556 -1.481 -0.661 3.043 1.00 0.00 O ATOM 290 CB LEU A 556 0.053 2.032 4.528 1.00 0.00 C ATOM 291 CG LEU A 556 1.325 2.263 5.345 1.00 0.00 C ATOM 292 CD1 LEU A 556 1.069 3.266 6.459 1.00 0.00 C ATOM 293 CD2 LEU A 556 1.837 0.948 5.917 1.00 0.00 C ATOM 0 H LEU A 556 0.937 2.704 2.318 1.00 0.00 H new ATOM 0 HA LEU A 556 0.784 0.203 3.669 1.00 0.00 H new ATOM 0 HB2 LEU A 556 -0.283 2.992 4.137 1.00 0.00 H new ATOM 0 HB3 LEU A 556 -0.726 1.671 5.200 1.00 0.00 H new ATOM 0 HG LEU A 556 2.089 2.672 4.684 1.00 0.00 H new ATOM 0 HD11 LEU A 556 1.985 3.418 7.030 1.00 0.00 H new ATOM 0 HD12 LEU A 556 0.749 4.215 6.028 1.00 0.00 H new ATOM 0 HD13 LEU A 556 0.289 2.886 7.119 1.00 0.00 H new ATOM 0 HD21 LEU A 556 2.743 1.131 6.495 1.00 0.00 H new ATOM 0 HD22 LEU A 556 1.076 0.511 6.563 1.00 0.00 H new ATOM 0 HD23 LEU A 556 2.060 0.259 5.102 1.00 0.00 H new ATOM 305 N LEU A 557 -2.075 1.452 2.547 1.00 0.00 N ATOM 306 CA LEU A 557 -3.429 1.092 2.140 1.00 0.00 C ATOM 307 C LEU A 557 -3.404 0.130 0.956 1.00 0.00 C ATOM 308 O LEU A 557 -4.313 -0.679 0.781 1.00 0.00 O ATOM 309 CB LEU A 557 -4.224 2.346 1.776 1.00 0.00 C ATOM 310 CG LEU A 557 -4.802 3.140 2.948 1.00 0.00 C ATOM 311 CD1 LEU A 557 -3.720 3.980 3.608 1.00 0.00 C ATOM 312 CD2 LEU A 557 -5.953 4.018 2.482 1.00 0.00 C ATOM 0 H LEU A 557 -1.865 2.448 2.479 1.00 0.00 H new ATOM 0 HA LEU A 557 -3.914 0.594 2.979 1.00 0.00 H new ATOM 0 HB2 LEU A 557 -3.577 3.007 1.200 1.00 0.00 H new ATOM 0 HB3 LEU A 557 -5.045 2.054 1.121 1.00 0.00 H new ATOM 0 HG LEU A 557 -5.186 2.435 3.685 1.00 0.00 H new ATOM 0 HD11 LEU A 557 -4.150 4.538 4.440 1.00 0.00 H new ATOM 0 HD12 LEU A 557 -2.929 3.328 3.978 1.00 0.00 H new ATOM 0 HD13 LEU A 557 -3.305 4.677 2.879 1.00 0.00 H new ATOM 0 HD21 LEU A 557 -6.352 4.575 3.330 1.00 0.00 H new ATOM 0 HD22 LEU A 557 -5.595 4.716 1.725 1.00 0.00 H new ATOM 0 HD23 LEU A 557 -6.738 3.393 2.057 1.00 0.00 H new ATOM 324 N GLY A 558 -2.353 0.223 0.147 1.00 0.00 N ATOM 325 CA GLY A 558 -2.227 -0.646 -1.009 1.00 0.00 C ATOM 326 C GLY A 558 -2.055 -2.102 -0.623 1.00 0.00 C ATOM 327 O GLY A 558 -2.910 -2.936 -0.923 1.00 0.00 O ATOM 0 H GLY A 558 -1.587 0.884 0.271 1.00 0.00 H new ATOM 0 HA2 GLY A 558 -3.112 -0.542 -1.636 1.00 0.00 H new ATOM 0 HA3 GLY A 558 -1.373 -0.328 -1.607 1.00 0.00 H new ATOM 331 N ALA A 559 -0.946 -2.410 0.041 1.00 0.00 N ATOM 332 CA ALA A 559 -0.665 -3.775 0.469 1.00 0.00 C ATOM 333 C ALA A 559 -1.694 -4.255 1.486 1.00 0.00 C ATOM 334 O ALA A 559 -2.144 -5.399 1.435 1.00 0.00 O ATOM 335 CB ALA A 559 0.738 -3.868 1.051 1.00 0.00 C ATOM 0 H ALA A 559 -0.227 -1.732 0.294 1.00 0.00 H new ATOM 0 HA ALA A 559 -0.728 -4.423 -0.405 1.00 0.00 H new ATOM 0 HB1 ALA A 559 0.934 -4.893 1.366 1.00 0.00 H new ATOM 0 HB2 ALA A 559 1.466 -3.576 0.294 1.00 0.00 H new ATOM 0 HB3 ALA A 559 0.820 -3.202 1.910 1.00 0.00 H new ATOM 341 N ALA A 560 -2.064 -3.373 2.409 1.00 0.00 N ATOM 342 CA ALA A 560 -3.042 -3.707 3.436 1.00 0.00 C ATOM 343 C ALA A 560 -4.307 -4.293 2.821 1.00 0.00 C ATOM 344 O ALA A 560 -4.688 -5.426 3.118 1.00 0.00 O ATOM 345 CB ALA A 560 -3.377 -2.476 4.266 1.00 0.00 C ATOM 0 H ALA A 560 -1.701 -2.422 2.466 1.00 0.00 H new ATOM 0 HA ALA A 560 -2.604 -4.463 4.087 1.00 0.00 H new ATOM 0 HB1 ALA A 560 -4.109 -2.740 5.029 1.00 0.00 H new ATOM 0 HB2 ALA A 560 -2.472 -2.103 4.745 1.00 0.00 H new ATOM 0 HB3 ALA A 560 -3.791 -1.702 3.619 1.00 0.00 H new ATOM 351 N LEU A 561 -4.957 -3.515 1.961 1.00 0.00 N ATOM 352 CA LEU A 561 -6.181 -3.957 1.304 1.00 0.00 C ATOM 353 C LEU A 561 -5.932 -5.214 0.476 1.00 0.00 C ATOM 354 O LEU A 561 -6.787 -6.098 0.396 1.00 0.00 O ATOM 355 CB LEU A 561 -6.733 -2.845 0.409 1.00 0.00 C ATOM 356 CG LEU A 561 -8.049 -3.150 -0.305 1.00 0.00 C ATOM 357 CD1 LEU A 561 -9.181 -3.297 0.701 1.00 0.00 C ATOM 358 CD2 LEU A 561 -8.372 -2.060 -1.317 1.00 0.00 C ATOM 0 H LEU A 561 -4.656 -2.575 1.703 1.00 0.00 H new ATOM 0 HA LEU A 561 -6.914 -4.192 2.076 1.00 0.00 H new ATOM 0 HB2 LEU A 561 -6.872 -1.951 1.018 1.00 0.00 H new ATOM 0 HB3 LEU A 561 -5.982 -2.605 -0.343 1.00 0.00 H new ATOM 0 HG LEU A 561 -7.940 -4.094 -0.839 1.00 0.00 H new ATOM 0 HD11 LEU A 561 -10.110 -3.514 0.174 1.00 0.00 H new ATOM 0 HD12 LEU A 561 -8.954 -4.113 1.387 1.00 0.00 H new ATOM 0 HD13 LEU A 561 -9.291 -2.370 1.263 1.00 0.00 H new ATOM 0 HD21 LEU A 561 -9.312 -2.294 -1.816 1.00 0.00 H new ATOM 0 HD22 LEU A 561 -8.462 -1.102 -0.804 1.00 0.00 H new ATOM 0 HD23 LEU A 561 -7.574 -2.002 -2.057 1.00 0.00 H new ATOM 370 N LEU A 562 -4.755 -5.289 -0.136 1.00 0.00 N ATOM 371 CA LEU A 562 -4.391 -6.440 -0.955 1.00 0.00 C ATOM 372 C LEU A 562 -4.371 -7.718 -0.122 1.00 0.00 C ATOM 373 O LEU A 562 -5.101 -8.668 -0.407 1.00 0.00 O ATOM 374 CB LEU A 562 -3.022 -6.218 -1.601 1.00 0.00 C ATOM 375 CG LEU A 562 -2.737 -7.033 -2.864 1.00 0.00 C ATOM 376 CD1 LEU A 562 -1.389 -6.647 -3.454 1.00 0.00 C ATOM 377 CD2 LEU A 562 -2.781 -8.523 -2.559 1.00 0.00 C ATOM 0 H LEU A 562 -4.037 -4.567 -0.081 1.00 0.00 H new ATOM 0 HA LEU A 562 -5.142 -6.550 -1.737 1.00 0.00 H new ATOM 0 HB2 LEU A 562 -2.925 -5.160 -1.845 1.00 0.00 H new ATOM 0 HB3 LEU A 562 -2.253 -6.447 -0.863 1.00 0.00 H new ATOM 0 HG LEU A 562 -3.510 -6.811 -3.599 1.00 0.00 H new ATOM 0 HD11 LEU A 562 -1.203 -7.236 -4.352 1.00 0.00 H new ATOM 0 HD12 LEU A 562 -1.394 -5.588 -3.710 1.00 0.00 H new ATOM 0 HD13 LEU A 562 -0.603 -6.840 -2.724 1.00 0.00 H new ATOM 0 HD21 LEU A 562 -2.576 -9.087 -3.469 1.00 0.00 H new ATOM 0 HD22 LEU A 562 -2.030 -8.763 -1.807 1.00 0.00 H new ATOM 0 HD23 LEU A 562 -3.769 -8.788 -2.183 1.00 0.00 H new ATOM 389 N LEU A 563 -3.533 -7.733 0.909 1.00 0.00 N ATOM 390 CA LEU A 563 -3.420 -8.893 1.785 1.00 0.00 C ATOM 391 C LEU A 563 -4.786 -9.305 2.323 1.00 0.00 C ATOM 392 O LEU A 563 -5.092 -10.492 2.427 1.00 0.00 O ATOM 393 CB LEU A 563 -2.472 -8.589 2.946 1.00 0.00 C ATOM 394 CG LEU A 563 -2.013 -9.791 3.772 1.00 0.00 C ATOM 395 CD1 LEU A 563 -0.680 -10.313 3.259 1.00 0.00 C ATOM 396 CD2 LEU A 563 -1.913 -9.421 5.244 1.00 0.00 C ATOM 0 H LEU A 563 -2.922 -6.955 1.158 1.00 0.00 H new ATOM 0 HA LEU A 563 -3.016 -9.720 1.201 1.00 0.00 H new ATOM 0 HB2 LEU A 563 -1.589 -8.090 2.546 1.00 0.00 H new ATOM 0 HB3 LEU A 563 -2.963 -7.881 3.614 1.00 0.00 H new ATOM 0 HG LEU A 563 -2.754 -10.583 3.668 1.00 0.00 H new ATOM 0 HD11 LEU A 563 -0.369 -11.168 3.859 1.00 0.00 H new ATOM 0 HD12 LEU A 563 -0.785 -10.619 2.218 1.00 0.00 H new ATOM 0 HD13 LEU A 563 0.071 -9.526 3.332 1.00 0.00 H new ATOM 0 HD21 LEU A 563 -1.585 -10.289 5.816 1.00 0.00 H new ATOM 0 HD22 LEU A 563 -1.193 -8.612 5.368 1.00 0.00 H new ATOM 0 HD23 LEU A 563 -2.889 -9.097 5.605 1.00 0.00 H new ATOM 408 N GLY A 564 -5.607 -8.314 2.663 1.00 0.00 N ATOM 409 CA GLY A 564 -6.931 -8.594 3.184 1.00 0.00 C ATOM 410 C GLY A 564 -7.774 -9.405 2.219 1.00 0.00 C ATOM 411 O GLY A 564 -8.143 -10.543 2.512 1.00 0.00 O ATOM 0 H GLY A 564 -5.377 -7.323 2.586 1.00 0.00 H new ATOM 0 HA2 GLY A 564 -6.841 -9.135 4.126 1.00 0.00 H new ATOM 0 HA3 GLY A 564 -7.438 -7.654 3.404 1.00 0.00 H new ATOM 673 N GLY B 542 -3.912 20.815 -0.566 1.00 0.00 N ATOM 674 CA GLY B 542 -3.986 19.444 -0.094 1.00 0.00 C ATOM 675 C GLY B 542 -3.840 18.436 -1.216 1.00 0.00 C ATOM 676 O GLY B 542 -4.182 17.264 -1.056 1.00 0.00 O ATOM 0 HA2 GLY B 542 -3.204 19.275 0.646 1.00 0.00 H new ATOM 0 HA3 GLY B 542 -4.940 19.287 0.409 1.00 0.00 H new ATOM 680 N LEU B 543 -3.331 18.891 -2.356 1.00 0.00 N ATOM 681 CA LEU B 543 -3.142 18.020 -3.510 1.00 0.00 C ATOM 682 C LEU B 543 -2.124 18.614 -4.479 1.00 0.00 C ATOM 683 O LEU B 543 -2.294 19.732 -4.968 1.00 0.00 O ATOM 684 CB LEU B 543 -4.473 17.792 -4.227 1.00 0.00 C ATOM 685 CG LEU B 543 -4.448 16.808 -5.396 1.00 0.00 C ATOM 686 CD1 LEU B 543 -3.856 17.464 -6.635 1.00 0.00 C ATOM 687 CD2 LEU B 543 -3.660 15.560 -5.025 1.00 0.00 C ATOM 0 H LEU B 543 -3.042 19.858 -2.505 1.00 0.00 H new ATOM 0 HA LEU B 543 -2.762 17.063 -3.153 1.00 0.00 H new ATOM 0 HB2 LEU B 543 -5.200 17.438 -3.496 1.00 0.00 H new ATOM 0 HB3 LEU B 543 -4.833 18.753 -4.595 1.00 0.00 H new ATOM 0 HG LEU B 543 -5.474 16.514 -5.620 1.00 0.00 H new ATOM 0 HD11 LEU B 543 -3.847 16.748 -7.457 1.00 0.00 H new ATOM 0 HD12 LEU B 543 -4.460 18.328 -6.913 1.00 0.00 H new ATOM 0 HD13 LEU B 543 -2.837 17.787 -6.424 1.00 0.00 H new ATOM 0 HD21 LEU B 543 -3.652 14.870 -5.869 1.00 0.00 H new ATOM 0 HD22 LEU B 543 -2.636 15.837 -4.774 1.00 0.00 H new ATOM 0 HD23 LEU B 543 -4.126 15.077 -4.166 1.00 0.00 H new ATOM 699 N THR B 544 -1.066 17.858 -4.756 1.00 0.00 N ATOM 700 CA THR B 544 -0.022 18.309 -5.667 1.00 0.00 C ATOM 701 C THR B 544 0.485 17.161 -6.533 1.00 0.00 C ATOM 702 O THR B 544 0.313 15.991 -6.193 1.00 0.00 O ATOM 703 CB THR B 544 1.165 18.922 -4.902 1.00 0.00 C ATOM 704 OG1 THR B 544 2.204 17.949 -4.747 1.00 0.00 O ATOM 705 CG2 THR B 544 0.726 19.426 -3.535 1.00 0.00 C ATOM 0 H THR B 544 -0.910 16.930 -4.362 1.00 0.00 H new ATOM 0 HA THR B 544 -0.467 19.073 -6.304 1.00 0.00 H new ATOM 0 HB THR B 544 1.543 19.766 -5.479 1.00 0.00 H new ATOM 0 HG1 THR B 544 2.956 18.348 -4.261 1.00 0.00 H new ATOM 0 HG21 THR B 544 1.582 19.855 -3.013 1.00 0.00 H new ATOM 0 HG22 THR B 544 -0.043 20.188 -3.658 1.00 0.00 H new ATOM 0 HG23 THR B 544 0.325 18.596 -2.953 1.00 0.00 H new ATOM 713 N GLY B 545 1.111 17.504 -7.654 1.00 0.00 N ATOM 714 CA GLY B 545 1.634 16.490 -8.552 1.00 0.00 C ATOM 715 C GLY B 545 2.489 15.464 -7.832 1.00 0.00 C ATOM 716 O GLY B 545 2.351 14.264 -8.059 1.00 0.00 O ATOM 0 H GLY B 545 1.266 18.466 -7.957 1.00 0.00 H new ATOM 0 HA2 GLY B 545 0.805 15.985 -9.047 1.00 0.00 H new ATOM 0 HA3 GLY B 545 2.226 16.970 -9.331 1.00 0.00 H new ATOM 720 N GLY B 546 3.376 15.940 -6.964 1.00 0.00 N ATOM 721 CA GLY B 546 4.245 15.043 -6.225 1.00 0.00 C ATOM 722 C GLY B 546 3.472 14.095 -5.328 1.00 0.00 C ATOM 723 O GLY B 546 3.896 12.963 -5.102 1.00 0.00 O ATOM 0 H GLY B 546 3.508 16.930 -6.759 1.00 0.00 H new ATOM 0 HA2 GLY B 546 4.847 14.465 -6.926 1.00 0.00 H new ATOM 0 HA3 GLY B 546 4.936 15.629 -5.619 1.00 0.00 H new ATOM 727 N GLU B 547 2.336 14.561 -4.818 1.00 0.00 N ATOM 728 CA GLU B 547 1.505 13.746 -3.939 1.00 0.00 C ATOM 729 C GLU B 547 0.877 12.586 -4.706 1.00 0.00 C ATOM 730 O GLU B 547 0.811 11.463 -4.208 1.00 0.00 O ATOM 731 CB GLU B 547 0.410 14.602 -3.299 1.00 0.00 C ATOM 732 CG GLU B 547 0.896 15.963 -2.833 1.00 0.00 C ATOM 733 CD GLU B 547 0.140 16.469 -1.620 1.00 0.00 C ATOM 734 OE1 GLU B 547 -0.926 17.096 -1.805 1.00 0.00 O ATOM 735 OE2 GLU B 547 0.612 16.241 -0.487 1.00 0.00 O ATOM 0 H GLU B 547 1.971 15.496 -4.998 1.00 0.00 H new ATOM 0 HA GLU B 547 2.142 13.337 -3.154 1.00 0.00 H new ATOM 0 HB2 GLU B 547 -0.398 14.741 -4.018 1.00 0.00 H new ATOM 0 HB3 GLU B 547 -0.009 14.064 -2.448 1.00 0.00 H new ATOM 0 HG2 GLU B 547 1.958 15.903 -2.596 1.00 0.00 H new ATOM 0 HG3 GLU B 547 0.791 16.680 -3.647 1.00 0.00 H new ATOM 742 N ILE B 548 0.415 12.869 -5.920 1.00 0.00 N ATOM 743 CA ILE B 548 -0.207 11.850 -6.756 1.00 0.00 C ATOM 744 C ILE B 548 0.803 10.786 -7.170 1.00 0.00 C ATOM 745 O ILE B 548 0.598 9.595 -6.934 1.00 0.00 O ATOM 746 CB ILE B 548 -0.836 12.465 -8.020 1.00 0.00 C ATOM 747 CG1 ILE B 548 -2.080 13.278 -7.654 1.00 0.00 C ATOM 748 CG2 ILE B 548 -1.184 11.376 -9.022 1.00 0.00 C ATOM 749 CD1 ILE B 548 -1.844 14.772 -7.642 1.00 0.00 C ATOM 0 H ILE B 548 0.460 13.795 -6.346 1.00 0.00 H new ATOM 0 HA ILE B 548 -0.992 11.388 -6.158 1.00 0.00 H new ATOM 0 HB ILE B 548 -0.110 13.135 -8.480 1.00 0.00 H new ATOM 0 HG12 ILE B 548 -2.875 13.050 -8.364 1.00 0.00 H new ATOM 0 HG13 ILE B 548 -2.432 12.966 -6.671 1.00 0.00 H new ATOM 0 HG21 ILE B 548 -1.628 11.827 -9.910 1.00 0.00 H new ATOM 0 HG22 ILE B 548 -0.279 10.837 -9.302 1.00 0.00 H new ATOM 0 HG23 ILE B 548 -1.895 10.682 -8.573 1.00 0.00 H new ATOM 0 HD11 ILE B 548 -2.768 15.284 -7.375 1.00 0.00 H new ATOM 0 HD12 ILE B 548 -1.071 15.012 -6.912 1.00 0.00 H new ATOM 0 HD13 ILE B 548 -1.522 15.097 -8.631 1.00 0.00 H new ATOM 761 N VAL B 549 1.896 11.224 -7.787 1.00 0.00 N ATOM 762 CA VAL B 549 2.940 10.309 -8.232 1.00 0.00 C ATOM 763 C VAL B 549 3.500 9.504 -7.064 1.00 0.00 C ATOM 764 O VAL B 549 3.926 8.363 -7.232 1.00 0.00 O ATOM 765 CB VAL B 549 4.093 11.066 -8.919 1.00 0.00 C ATOM 766 CG1 VAL B 549 3.547 12.100 -9.892 1.00 0.00 C ATOM 767 CG2 VAL B 549 4.995 11.719 -7.883 1.00 0.00 C ATOM 0 H VAL B 549 2.081 12.206 -7.990 1.00 0.00 H new ATOM 0 HA VAL B 549 2.481 9.630 -8.951 1.00 0.00 H new ATOM 0 HB VAL B 549 4.689 10.350 -9.484 1.00 0.00 H new ATOM 0 HG11 VAL B 549 4.375 12.625 -10.368 1.00 0.00 H new ATOM 0 HG12 VAL B 549 2.948 11.602 -10.654 1.00 0.00 H new ATOM 0 HG13 VAL B 549 2.926 12.815 -9.352 1.00 0.00 H new ATOM 0 HG21 VAL B 549 5.803 12.249 -8.387 1.00 0.00 H new ATOM 0 HG22 VAL B 549 4.415 12.424 -7.288 1.00 0.00 H new ATOM 0 HG23 VAL B 549 5.414 10.953 -7.231 1.00 0.00 H new ATOM 777 N ALA B 550 3.496 10.108 -5.880 1.00 0.00 N ATOM 778 CA ALA B 550 4.002 9.447 -4.684 1.00 0.00 C ATOM 779 C ALA B 550 3.097 8.291 -4.272 1.00 0.00 C ATOM 780 O ALA B 550 3.569 7.186 -4.003 1.00 0.00 O ATOM 781 CB ALA B 550 4.134 10.448 -3.545 1.00 0.00 C ATOM 0 H ALA B 550 3.148 11.054 -5.724 1.00 0.00 H new ATOM 0 HA ALA B 550 4.987 9.040 -4.912 1.00 0.00 H new ATOM 0 HB1 ALA B 550 4.513 9.941 -2.657 1.00 0.00 H new ATOM 0 HB2 ALA B 550 4.826 11.239 -3.834 1.00 0.00 H new ATOM 0 HB3 ALA B 550 3.158 10.881 -3.326 1.00 0.00 H new ATOM 787 N VAL B 551 1.795 8.552 -4.225 1.00 0.00 N ATOM 788 CA VAL B 551 0.824 7.532 -3.846 1.00 0.00 C ATOM 789 C VAL B 551 0.891 6.334 -4.787 1.00 0.00 C ATOM 790 O VAL B 551 0.939 5.186 -4.344 1.00 0.00 O ATOM 791 CB VAL B 551 -0.611 8.094 -3.849 1.00 0.00 C ATOM 792 CG1 VAL B 551 -1.623 6.974 -3.668 1.00 0.00 C ATOM 793 CG2 VAL B 551 -0.771 9.149 -2.764 1.00 0.00 C ATOM 0 H VAL B 551 1.388 9.461 -4.445 1.00 0.00 H new ATOM 0 HA VAL B 551 1.079 7.212 -2.836 1.00 0.00 H new ATOM 0 HB VAL B 551 -0.796 8.566 -4.814 1.00 0.00 H new ATOM 0 HG11 VAL B 551 -2.631 7.390 -3.673 1.00 0.00 H new ATOM 0 HG12 VAL B 551 -1.522 6.257 -4.483 1.00 0.00 H new ATOM 0 HG13 VAL B 551 -1.443 6.471 -2.718 1.00 0.00 H new ATOM 0 HG21 VAL B 551 -1.790 9.536 -2.780 1.00 0.00 H new ATOM 0 HG22 VAL B 551 -0.567 8.703 -1.790 1.00 0.00 H new ATOM 0 HG23 VAL B 551 -0.071 9.965 -2.944 1.00 0.00 H new ATOM 803 N ILE B 552 0.892 6.608 -6.087 1.00 0.00 N ATOM 804 CA ILE B 552 0.955 5.553 -7.090 1.00 0.00 C ATOM 805 C ILE B 552 2.280 4.805 -7.018 1.00 0.00 C ATOM 806 O ILE B 552 2.351 3.614 -7.326 1.00 0.00 O ATOM 807 CB ILE B 552 0.771 6.117 -8.512 1.00 0.00 C ATOM 808 CG1 ILE B 552 0.833 4.988 -9.543 1.00 0.00 C ATOM 809 CG2 ILE B 552 1.831 7.169 -8.805 1.00 0.00 C ATOM 810 CD1 ILE B 552 0.592 5.452 -10.963 1.00 0.00 C ATOM 0 H ILE B 552 0.850 7.552 -6.470 1.00 0.00 H new ATOM 0 HA ILE B 552 0.140 4.862 -6.874 1.00 0.00 H new ATOM 0 HB ILE B 552 -0.209 6.589 -8.577 1.00 0.00 H new ATOM 0 HG12 ILE B 552 1.811 4.509 -9.487 1.00 0.00 H new ATOM 0 HG13 ILE B 552 0.092 4.231 -9.286 1.00 0.00 H new ATOM 0 HG21 ILE B 552 1.688 7.558 -9.813 1.00 0.00 H new ATOM 0 HG22 ILE B 552 1.744 7.983 -8.086 1.00 0.00 H new ATOM 0 HG23 ILE B 552 2.821 6.720 -8.726 1.00 0.00 H new ATOM 0 HD11 ILE B 552 0.651 4.599 -11.639 1.00 0.00 H new ATOM 0 HD12 ILE B 552 -0.397 5.905 -11.035 1.00 0.00 H new ATOM 0 HD13 ILE B 552 1.348 6.187 -11.239 1.00 0.00 H new ATOM 822 N PHE B 553 3.330 5.509 -6.609 1.00 0.00 N ATOM 823 CA PHE B 553 4.656 4.910 -6.497 1.00 0.00 C ATOM 824 C PHE B 553 4.672 3.823 -5.427 1.00 0.00 C ATOM 825 O PHE B 553 5.096 2.696 -5.678 1.00 0.00 O ATOM 826 CB PHE B 553 5.696 5.983 -6.166 1.00 0.00 C ATOM 827 CG PHE B 553 7.104 5.574 -6.494 1.00 0.00 C ATOM 828 CD1 PHE B 553 7.697 4.504 -5.844 1.00 0.00 C ATOM 829 CD2 PHE B 553 7.832 6.260 -7.452 1.00 0.00 C ATOM 830 CE1 PHE B 553 8.992 4.124 -6.144 1.00 0.00 C ATOM 831 CE2 PHE B 553 9.128 5.885 -7.756 1.00 0.00 C ATOM 832 CZ PHE B 553 9.709 4.817 -7.100 1.00 0.00 C ATOM 0 H PHE B 553 3.289 6.495 -6.350 1.00 0.00 H new ATOM 0 HA PHE B 553 4.905 4.455 -7.456 1.00 0.00 H new ATOM 0 HB2 PHE B 553 5.454 6.894 -6.714 1.00 0.00 H new ATOM 0 HB3 PHE B 553 5.634 6.223 -5.105 1.00 0.00 H new ATOM 0 HD1 PHE B 553 7.141 3.960 -5.094 1.00 0.00 H new ATOM 0 HD2 PHE B 553 7.383 7.096 -7.967 1.00 0.00 H new ATOM 0 HE1 PHE B 553 9.442 3.287 -5.632 1.00 0.00 H new ATOM 0 HE2 PHE B 553 9.686 6.427 -8.506 1.00 0.00 H new ATOM 0 HZ PHE B 553 10.722 4.524 -7.334 1.00 0.00 H new ATOM 842 N GLY B 554 4.206 4.171 -4.230 1.00 0.00 N ATOM 843 CA GLY B 554 4.176 3.214 -3.140 1.00 0.00 C ATOM 844 C GLY B 554 3.041 2.218 -3.273 1.00 0.00 C ATOM 845 O GLY B 554 3.137 1.089 -2.790 1.00 0.00 O ATOM 0 H GLY B 554 3.849 5.098 -3.997 1.00 0.00 H new ATOM 0 HA2 GLY B 554 5.124 2.677 -3.106 1.00 0.00 H new ATOM 0 HA3 GLY B 554 4.078 3.748 -2.195 1.00 0.00 H new ATOM 849 N LEU B 555 1.963 2.636 -3.926 1.00 0.00 N ATOM 850 CA LEU B 555 0.804 1.773 -4.119 1.00 0.00 C ATOM 851 C LEU B 555 1.100 0.687 -5.148 1.00 0.00 C ATOM 852 O LEU B 555 0.709 -0.469 -4.976 1.00 0.00 O ATOM 853 CB LEU B 555 -0.403 2.600 -4.566 1.00 0.00 C ATOM 854 CG LEU B 555 -1.547 1.821 -5.218 1.00 0.00 C ATOM 855 CD1 LEU B 555 -2.126 0.808 -4.242 1.00 0.00 C ATOM 856 CD2 LEU B 555 -2.630 2.771 -5.707 1.00 0.00 C ATOM 0 H LEU B 555 1.867 3.567 -4.331 1.00 0.00 H new ATOM 0 HA LEU B 555 0.576 1.293 -3.167 1.00 0.00 H new ATOM 0 HB2 LEU B 555 -0.798 3.128 -3.698 1.00 0.00 H new ATOM 0 HB3 LEU B 555 -0.058 3.357 -5.270 1.00 0.00 H new ATOM 0 HG LEU B 555 -1.150 1.282 -6.078 1.00 0.00 H new ATOM 0 HD11 LEU B 555 -2.939 0.263 -4.723 1.00 0.00 H new ATOM 0 HD12 LEU B 555 -1.348 0.107 -3.940 1.00 0.00 H new ATOM 0 HD13 LEU B 555 -2.507 1.327 -3.363 1.00 0.00 H new ATOM 0 HD21 LEU B 555 -3.435 2.199 -6.168 1.00 0.00 H new ATOM 0 HD22 LEU B 555 -3.024 3.338 -4.864 1.00 0.00 H new ATOM 0 HD23 LEU B 555 -2.207 3.458 -6.440 1.00 0.00 H new ATOM 868 N LEU B 556 1.792 1.064 -6.216 1.00 0.00 N ATOM 869 CA LEU B 556 2.144 0.121 -7.273 1.00 0.00 C ATOM 870 C LEU B 556 3.223 -0.849 -6.801 1.00 0.00 C ATOM 871 O LEU B 556 3.046 -2.067 -6.857 1.00 0.00 O ATOM 872 CB LEU B 556 2.624 0.872 -8.515 1.00 0.00 C ATOM 873 CG LEU B 556 1.532 1.455 -9.412 1.00 0.00 C ATOM 874 CD1 LEU B 556 2.146 2.195 -10.590 1.00 0.00 C ATOM 875 CD2 LEU B 556 0.599 0.356 -9.898 1.00 0.00 C ATOM 0 H LEU B 556 2.121 2.016 -6.374 1.00 0.00 H new ATOM 0 HA LEU B 556 1.252 -0.452 -7.526 1.00 0.00 H new ATOM 0 HB2 LEU B 556 3.275 1.685 -8.194 1.00 0.00 H new ATOM 0 HB3 LEU B 556 3.233 0.193 -9.112 1.00 0.00 H new ATOM 0 HG LEU B 556 0.950 2.167 -8.827 1.00 0.00 H new ATOM 0 HD11 LEU B 556 1.353 2.603 -11.217 1.00 0.00 H new ATOM 0 HD12 LEU B 556 2.772 3.008 -10.223 1.00 0.00 H new ATOM 0 HD13 LEU B 556 2.753 1.505 -11.176 1.00 0.00 H new ATOM 0 HD21 LEU B 556 -0.172 0.789 -10.535 1.00 0.00 H new ATOM 0 HD22 LEU B 556 1.168 -0.380 -10.466 1.00 0.00 H new ATOM 0 HD23 LEU B 556 0.132 -0.130 -9.041 1.00 0.00 H new ATOM 887 N LEU B 557 4.340 -0.301 -6.335 1.00 0.00 N ATOM 888 CA LEU B 557 5.448 -1.117 -5.850 1.00 0.00 C ATOM 889 C LEU B 557 5.074 -1.828 -4.554 1.00 0.00 C ATOM 890 O LEU B 557 5.634 -2.873 -4.224 1.00 0.00 O ATOM 891 CB LEU B 557 6.688 -0.249 -5.630 1.00 0.00 C ATOM 892 CG LEU B 557 7.500 0.091 -6.880 1.00 0.00 C ATOM 893 CD1 LEU B 557 8.687 0.972 -6.523 1.00 0.00 C ATOM 894 CD2 LEU B 557 7.967 -1.180 -7.574 1.00 0.00 C ATOM 0 H LEU B 557 4.502 0.705 -6.283 1.00 0.00 H new ATOM 0 HA LEU B 557 5.669 -1.871 -6.605 1.00 0.00 H new ATOM 0 HB2 LEU B 557 6.375 0.683 -5.160 1.00 0.00 H new ATOM 0 HB3 LEU B 557 7.343 -0.759 -4.923 1.00 0.00 H new ATOM 0 HG LEU B 557 6.859 0.643 -7.567 1.00 0.00 H new ATOM 0 HD11 LEU B 557 9.253 1.203 -7.425 1.00 0.00 H new ATOM 0 HD12 LEU B 557 8.330 1.898 -6.071 1.00 0.00 H new ATOM 0 HD13 LEU B 557 9.330 0.447 -5.816 1.00 0.00 H new ATOM 0 HD21 LEU B 557 8.543 -0.919 -8.462 1.00 0.00 H new ATOM 0 HD22 LEU B 557 8.591 -1.758 -6.893 1.00 0.00 H new ATOM 0 HD23 LEU B 557 7.101 -1.775 -7.865 1.00 0.00 H new ATOM 906 N GLY B 558 4.122 -1.255 -3.823 1.00 0.00 N ATOM 907 CA GLY B 558 3.689 -1.849 -2.572 1.00 0.00 C ATOM 908 C GLY B 558 2.921 -3.139 -2.778 1.00 0.00 C ATOM 909 O GLY B 558 3.297 -4.184 -2.248 1.00 0.00 O ATOM 0 H GLY B 558 3.643 -0.390 -4.075 1.00 0.00 H new ATOM 0 HA2 GLY B 558 4.559 -2.044 -1.946 1.00 0.00 H new ATOM 0 HA3 GLY B 558 3.062 -1.138 -2.034 1.00 0.00 H new ATOM 913 N ALA B 559 1.841 -3.067 -3.549 1.00 0.00 N ATOM 914 CA ALA B 559 1.020 -4.239 -3.824 1.00 0.00 C ATOM 915 C ALA B 559 1.760 -5.234 -4.710 1.00 0.00 C ATOM 916 O ALA B 559 1.691 -6.443 -4.495 1.00 0.00 O ATOM 917 CB ALA B 559 -0.291 -3.823 -4.476 1.00 0.00 C ATOM 0 H ALA B 559 1.515 -2.209 -3.994 1.00 0.00 H new ATOM 0 HA ALA B 559 0.803 -4.730 -2.875 1.00 0.00 H new ATOM 0 HB1 ALA B 559 -0.895 -4.708 -4.676 1.00 0.00 H new ATOM 0 HB2 ALA B 559 -0.835 -3.156 -3.807 1.00 0.00 H new ATOM 0 HB3 ALA B 559 -0.083 -3.306 -5.413 1.00 0.00 H new ATOM 923 N ALA B 560 2.468 -4.716 -5.710 1.00 0.00 N ATOM 924 CA ALA B 560 3.223 -5.559 -6.628 1.00 0.00 C ATOM 925 C ALA B 560 4.221 -6.434 -5.875 1.00 0.00 C ATOM 926 O ALA B 560 4.169 -7.662 -5.957 1.00 0.00 O ATOM 927 CB ALA B 560 3.943 -4.704 -7.660 1.00 0.00 C ATOM 0 H ALA B 560 2.534 -3.717 -5.904 1.00 0.00 H new ATOM 0 HA ALA B 560 2.519 -6.214 -7.142 1.00 0.00 H new ATOM 0 HB1 ALA B 560 4.503 -5.347 -8.339 1.00 0.00 H new ATOM 0 HB2 ALA B 560 3.213 -4.126 -8.227 1.00 0.00 H new ATOM 0 HB3 ALA B 560 4.630 -4.025 -7.155 1.00 0.00 H new ATOM 933 N LEU B 561 5.127 -5.795 -5.145 1.00 0.00 N ATOM 934 CA LEU B 561 6.138 -6.516 -4.379 1.00 0.00 C ATOM 935 C LEU B 561 5.488 -7.459 -3.370 1.00 0.00 C ATOM 936 O LEU B 561 5.966 -8.571 -3.147 1.00 0.00 O ATOM 937 CB LEU B 561 7.056 -5.530 -3.653 1.00 0.00 C ATOM 938 CG LEU B 561 8.097 -6.146 -2.718 1.00 0.00 C ATOM 939 CD1 LEU B 561 9.136 -6.923 -3.513 1.00 0.00 C ATOM 940 CD2 LEU B 561 8.764 -5.067 -1.878 1.00 0.00 C ATOM 0 H LEU B 561 5.183 -4.780 -5.067 1.00 0.00 H new ATOM 0 HA LEU B 561 6.730 -7.110 -5.075 1.00 0.00 H new ATOM 0 HB2 LEU B 561 7.577 -4.932 -4.401 1.00 0.00 H new ATOM 0 HB3 LEU B 561 6.436 -4.846 -3.073 1.00 0.00 H new ATOM 0 HG LEU B 561 7.589 -6.839 -2.047 1.00 0.00 H new ATOM 0 HD11 LEU B 561 9.869 -7.354 -2.831 1.00 0.00 H new ATOM 0 HD12 LEU B 561 8.646 -7.721 -4.070 1.00 0.00 H new ATOM 0 HD13 LEU B 561 9.639 -6.251 -4.208 1.00 0.00 H new ATOM 0 HD21 LEU B 561 9.502 -5.524 -1.218 1.00 0.00 H new ATOM 0 HD22 LEU B 561 9.258 -4.349 -2.533 1.00 0.00 H new ATOM 0 HD23 LEU B 561 8.011 -4.554 -1.280 1.00 0.00 H new ATOM 952 N LEU B 562 4.393 -7.008 -2.767 1.00 0.00 N ATOM 953 CA LEU B 562 3.675 -7.812 -1.785 1.00 0.00 C ATOM 954 C LEU B 562 3.190 -9.120 -2.402 1.00 0.00 C ATOM 955 O LEU B 562 3.403 -10.198 -1.845 1.00 0.00 O ATOM 956 CB LEU B 562 2.487 -7.028 -1.226 1.00 0.00 C ATOM 957 CG LEU B 562 1.577 -7.786 -0.259 1.00 0.00 C ATOM 958 CD1 LEU B 562 2.017 -7.559 1.179 1.00 0.00 C ATOM 959 CD2 LEU B 562 0.128 -7.363 -0.448 1.00 0.00 C ATOM 0 H LEU B 562 3.984 -6.090 -2.941 1.00 0.00 H new ATOM 0 HA LEU B 562 4.362 -8.048 -0.972 1.00 0.00 H new ATOM 0 HB2 LEU B 562 2.869 -6.144 -0.716 1.00 0.00 H new ATOM 0 HB3 LEU B 562 1.883 -6.678 -2.063 1.00 0.00 H new ATOM 0 HG LEU B 562 1.655 -8.851 -0.477 1.00 0.00 H new ATOM 0 HD11 LEU B 562 1.357 -8.106 1.852 1.00 0.00 H new ATOM 0 HD12 LEU B 562 3.040 -7.913 1.307 1.00 0.00 H new ATOM 0 HD13 LEU B 562 1.969 -6.495 1.410 1.00 0.00 H new ATOM 0 HD21 LEU B 562 -0.505 -7.913 0.248 1.00 0.00 H new ATOM 0 HD22 LEU B 562 0.033 -6.294 -0.258 1.00 0.00 H new ATOM 0 HD23 LEU B 562 -0.184 -7.579 -1.470 1.00 0.00 H new