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= -1.1 USER MOD Single : B 544 THR OG1 : rot 180:sc= -1.14 USER MOD ----------------------------------------------------------------- ATOM 98 N LEU A 543 11.490 16.429 -3.280 1.00 0.00 N ATOM 99 CA LEU A 543 11.042 15.791 -2.046 1.00 0.00 C ATOM 100 C LEU A 543 10.276 16.778 -1.170 1.00 0.00 C ATOM 101 O LEU A 543 10.800 17.827 -0.793 1.00 0.00 O ATOM 102 CB LEU A 543 12.238 15.230 -1.275 1.00 0.00 C ATOM 103 CG LEU A 543 11.909 14.431 -0.014 1.00 0.00 C ATOM 104 CD1 LEU A 543 11.565 15.366 1.135 1.00 0.00 C ATOM 105 CD2 LEU A 543 10.765 13.463 -0.279 1.00 0.00 C ATOM 0 HA LEU A 543 10.373 14.973 -2.312 1.00 0.00 H new ATOM 0 HB2 LEU A 543 12.810 14.591 -1.947 1.00 0.00 H new ATOM 0 HB3 LEU A 543 12.887 16.060 -0.996 1.00 0.00 H new ATOM 0 HG LEU A 543 12.789 13.852 0.267 1.00 0.00 H new ATOM 0 HD11 LEU A 543 11.334 14.780 2.024 1.00 0.00 H new ATOM 0 HD12 LEU A 543 12.414 16.017 1.341 1.00 0.00 H new ATOM 0 HD13 LEU A 543 10.700 15.972 0.865 1.00 0.00 H new ATOM 0 HD21 LEU A 543 10.545 12.903 0.630 1.00 0.00 H new ATOM 0 HD22 LEU A 543 9.880 14.021 -0.585 1.00 0.00 H new ATOM 0 HD23 LEU A 543 11.050 12.771 -1.072 1.00 0.00 H new ATOM 117 N THR A 544 9.033 16.435 -0.848 1.00 0.00 N ATOM 118 CA THR A 544 8.195 17.289 -0.016 1.00 0.00 C ATOM 119 C THR A 544 7.356 16.461 0.950 1.00 0.00 C ATOM 120 O THR A 544 7.143 15.268 0.740 1.00 0.00 O ATOM 121 CB THR A 544 7.260 18.163 -0.872 1.00 0.00 C ATOM 122 OG1 THR A 544 5.964 17.561 -0.954 1.00 0.00 O ATOM 123 CG2 THR A 544 7.826 18.352 -2.272 1.00 0.00 C ATOM 0 H THR A 544 8.584 15.571 -1.151 1.00 0.00 H new ATOM 0 HA THR A 544 8.865 17.935 0.551 1.00 0.00 H new ATOM 0 HB THR A 544 7.177 19.140 -0.396 1.00 0.00 H new ATOM 0 HG1 THR A 544 5.680 17.522 -1.891 1.00 0.00 H new ATOM 0 HG21 THR A 544 7.148 18.973 -2.858 1.00 0.00 H new ATOM 0 HG22 THR A 544 8.799 18.838 -2.208 1.00 0.00 H new ATOM 0 HG23 THR A 544 7.936 17.381 -2.754 1.00 0.00 H new ATOM 131 N GLY A 545 6.879 17.104 2.013 1.00 0.00 N ATOM 132 CA GLY A 545 6.067 16.411 2.996 1.00 0.00 C ATOM 133 C GLY A 545 4.923 15.641 2.365 1.00 0.00 C ATOM 134 O GLY A 545 4.672 14.491 2.718 1.00 0.00 O ATOM 0 H GLY A 545 7.041 18.092 2.210 1.00 0.00 H new ATOM 0 HA2 GLY A 545 6.695 15.723 3.562 1.00 0.00 H new ATOM 0 HA3 GLY A 545 5.666 17.134 3.706 1.00 0.00 H new ATOM 138 N GLY A 546 4.227 16.280 1.428 1.00 0.00 N ATOM 139 CA GLY A 546 3.112 15.632 0.764 1.00 0.00 C ATOM 140 C GLY A 546 3.533 14.398 -0.008 1.00 0.00 C ATOM 141 O GLY A 546 2.768 13.443 -0.129 1.00 0.00 O ATOM 0 H GLY A 546 4.416 17.233 1.118 1.00 0.00 H new ATOM 0 HA2 GLY A 546 2.363 15.354 1.506 1.00 0.00 H new ATOM 0 HA3 GLY A 546 2.639 16.339 0.083 1.00 0.00 H new ATOM 145 N GLU A 547 4.754 14.420 -0.534 1.00 0.00 N ATOM 146 CA GLU A 547 5.275 13.293 -1.301 1.00 0.00 C ATOM 147 C GLU A 547 5.504 12.082 -0.402 1.00 0.00 C ATOM 148 O GLU A 547 5.192 10.951 -0.775 1.00 0.00 O ATOM 149 CB GLU A 547 6.582 13.681 -1.995 1.00 0.00 C ATOM 150 CG GLU A 547 6.553 15.068 -2.616 1.00 0.00 C ATOM 151 CD GLU A 547 7.423 15.171 -3.855 1.00 0.00 C ATOM 152 OE1 GLU A 547 8.632 15.445 -3.708 1.00 0.00 O ATOM 153 OE2 GLU A 547 6.895 14.977 -4.969 1.00 0.00 O ATOM 0 H GLU A 547 5.400 15.204 -0.444 1.00 0.00 H new ATOM 0 HA GLU A 547 4.535 13.028 -2.056 1.00 0.00 H new ATOM 0 HB2 GLU A 547 7.396 13.633 -1.272 1.00 0.00 H new ATOM 0 HB3 GLU A 547 6.802 12.949 -2.772 1.00 0.00 H new ATOM 0 HG2 GLU A 547 5.526 15.324 -2.875 1.00 0.00 H new ATOM 0 HG3 GLU A 547 6.888 15.799 -1.880 1.00 0.00 H new ATOM 160 N ILE A 548 6.051 12.328 0.784 1.00 0.00 N ATOM 161 CA ILE A 548 6.322 11.258 1.737 1.00 0.00 C ATOM 162 C ILE A 548 5.027 10.623 2.232 1.00 0.00 C ATOM 163 O ILE A 548 4.840 9.411 2.133 1.00 0.00 O ATOM 164 CB ILE A 548 7.125 11.772 2.947 1.00 0.00 C ATOM 165 CG1 ILE A 548 8.559 12.105 2.530 1.00 0.00 C ATOM 166 CG2 ILE A 548 7.117 10.739 4.064 1.00 0.00 C ATOM 167 CD1 ILE A 548 8.811 13.587 2.363 1.00 0.00 C ATOM 0 H ILE A 548 6.315 13.258 1.108 1.00 0.00 H new ATOM 0 HA ILE A 548 6.914 10.508 1.211 1.00 0.00 H new ATOM 0 HB ILE A 548 6.655 12.683 3.318 1.00 0.00 H new ATOM 0 HG12 ILE A 548 9.247 11.710 3.277 1.00 0.00 H new ATOM 0 HG13 ILE A 548 8.783 11.599 1.591 1.00 0.00 H new ATOM 0 HG21 ILE A 548 7.688 11.116 4.912 1.00 0.00 H new ATOM 0 HG22 ILE A 548 6.090 10.547 4.375 1.00 0.00 H new ATOM 0 HG23 ILE A 548 7.567 9.813 3.706 1.00 0.00 H new ATOM 0 HD11 ILE A 548 9.847 13.749 2.067 1.00 0.00 H new ATOM 0 HD12 ILE A 548 8.148 13.985 1.595 1.00 0.00 H new ATOM 0 HD13 ILE A 548 8.620 14.097 3.307 1.00 0.00 H new ATOM 179 N VAL A 549 4.135 11.451 2.765 1.00 0.00 N ATOM 180 CA VAL A 549 2.854 10.972 3.274 1.00 0.00 C ATOM 181 C VAL A 549 2.054 10.278 2.178 1.00 0.00 C ATOM 182 O VAL A 549 1.275 9.364 2.449 1.00 0.00 O ATOM 183 CB VAL A 549 2.015 12.124 3.857 1.00 0.00 C ATOM 184 CG1 VAL A 549 2.875 13.020 4.734 1.00 0.00 C ATOM 185 CG2 VAL A 549 1.361 12.924 2.741 1.00 0.00 C ATOM 0 H VAL A 549 4.275 12.457 2.856 1.00 0.00 H new ATOM 0 HA VAL A 549 3.075 10.258 4.067 1.00 0.00 H new ATOM 0 HB VAL A 549 1.226 11.699 4.478 1.00 0.00 H new ATOM 0 HG11 VAL A 549 2.265 13.828 5.137 1.00 0.00 H new ATOM 0 HG12 VAL A 549 3.291 12.435 5.555 1.00 0.00 H new ATOM 0 HG13 VAL A 549 3.687 13.440 4.140 1.00 0.00 H new ATOM 0 HG21 VAL A 549 0.772 13.734 3.171 1.00 0.00 H new ATOM 0 HG22 VAL A 549 2.131 13.340 2.092 1.00 0.00 H new ATOM 0 HG23 VAL A 549 0.710 12.272 2.159 1.00 0.00 H new ATOM 195 N ALA A 550 2.250 10.717 0.940 1.00 0.00 N ATOM 196 CA ALA A 550 1.548 10.137 -0.198 1.00 0.00 C ATOM 197 C ALA A 550 2.021 8.712 -0.467 1.00 0.00 C ATOM 198 O ALA A 550 1.212 7.798 -0.630 1.00 0.00 O ATOM 199 CB ALA A 550 1.741 11.001 -1.435 1.00 0.00 C ATOM 0 H ALA A 550 2.890 11.474 0.699 1.00 0.00 H new ATOM 0 HA ALA A 550 0.486 10.100 0.043 1.00 0.00 H new ATOM 0 HB1 ALA A 550 1.211 10.555 -2.277 1.00 0.00 H new ATOM 0 HB2 ALA A 550 1.347 12.000 -1.246 1.00 0.00 H new ATOM 0 HB3 ALA A 550 2.803 11.068 -1.670 1.00 0.00 H new ATOM 205 N VAL A 551 3.338 8.529 -0.511 1.00 0.00 N ATOM 206 CA VAL A 551 3.919 7.215 -0.759 1.00 0.00 C ATOM 207 C VAL A 551 3.472 6.208 0.294 1.00 0.00 C ATOM 208 O VAL A 551 3.058 5.096 -0.032 1.00 0.00 O ATOM 209 CB VAL A 551 5.458 7.277 -0.776 1.00 0.00 C ATOM 210 CG1 VAL A 551 6.049 5.875 -0.745 1.00 0.00 C ATOM 211 CG2 VAL A 551 5.947 8.044 -1.995 1.00 0.00 C ATOM 0 H VAL A 551 4.022 9.274 -0.378 1.00 0.00 H new ATOM 0 HA VAL A 551 3.565 6.892 -1.738 1.00 0.00 H new ATOM 0 HB VAL A 551 5.793 7.807 0.116 1.00 0.00 H new ATOM 0 HG11 VAL A 551 7.137 5.938 -0.758 1.00 0.00 H new ATOM 0 HG12 VAL A 551 5.726 5.364 0.162 1.00 0.00 H new ATOM 0 HG13 VAL A 551 5.708 5.317 -1.617 1.00 0.00 H new ATOM 0 HG21 VAL A 551 7.036 8.078 -1.991 1.00 0.00 H new ATOM 0 HG22 VAL A 551 5.603 7.545 -2.901 1.00 0.00 H new ATOM 0 HG23 VAL A 551 5.552 9.060 -1.968 1.00 0.00 H new ATOM 221 N ILE A 552 3.558 6.607 1.559 1.00 0.00 N ATOM 222 CA ILE A 552 3.162 5.740 2.661 1.00 0.00 C ATOM 223 C ILE A 552 1.663 5.459 2.629 1.00 0.00 C ATOM 224 O ILE A 552 1.211 4.394 3.047 1.00 0.00 O ATOM 225 CB ILE A 552 3.528 6.358 4.024 1.00 0.00 C ATOM 226 CG1 ILE A 552 3.117 5.420 5.160 1.00 0.00 C ATOM 227 CG2 ILE A 552 2.863 7.717 4.184 1.00 0.00 C ATOM 228 CD1 ILE A 552 3.484 5.937 6.534 1.00 0.00 C ATOM 0 H ILE A 552 3.898 7.525 1.845 1.00 0.00 H new ATOM 0 HA ILE A 552 3.707 4.804 2.537 1.00 0.00 H new ATOM 0 HB ILE A 552 4.608 6.497 4.066 1.00 0.00 H new ATOM 0 HG12 ILE A 552 2.040 5.260 5.117 1.00 0.00 H new ATOM 0 HG13 ILE A 552 3.589 4.450 5.008 1.00 0.00 H new ATOM 0 HG21 ILE A 552 3.131 8.141 5.152 1.00 0.00 H new ATOM 0 HG22 ILE A 552 3.200 8.383 3.390 1.00 0.00 H new ATOM 0 HG23 ILE A 552 1.781 7.602 4.125 1.00 0.00 H new ATOM 0 HD11 ILE A 552 3.162 5.221 7.290 1.00 0.00 H new ATOM 0 HD12 ILE A 552 4.564 6.070 6.596 1.00 0.00 H new ATOM 0 HD13 ILE A 552 2.990 6.893 6.707 1.00 0.00 H new ATOM 240 N PHE A 553 0.898 6.423 2.126 1.00 0.00 N ATOM 241 CA PHE A 553 -0.551 6.280 2.038 1.00 0.00 C ATOM 242 C PHE A 553 -0.929 5.180 1.050 1.00 0.00 C ATOM 243 O PHE A 553 -1.700 4.278 1.374 1.00 0.00 O ATOM 244 CB PHE A 553 -1.190 7.604 1.613 1.00 0.00 C ATOM 245 CG PHE A 553 -2.649 7.702 1.956 1.00 0.00 C ATOM 246 CD1 PHE A 553 -3.564 6.822 1.402 1.00 0.00 C ATOM 247 CD2 PHE A 553 -3.106 8.673 2.832 1.00 0.00 C ATOM 248 CE1 PHE A 553 -4.908 6.910 1.715 1.00 0.00 C ATOM 249 CE2 PHE A 553 -4.447 8.766 3.149 1.00 0.00 C ATOM 250 CZ PHE A 553 -5.350 7.883 2.590 1.00 0.00 C ATOM 0 H PHE A 553 1.257 7.310 1.774 1.00 0.00 H new ATOM 0 HA PHE A 553 -0.925 6.004 3.024 1.00 0.00 H new ATOM 0 HB2 PHE A 553 -0.657 8.426 2.091 1.00 0.00 H new ATOM 0 HB3 PHE A 553 -1.069 7.728 0.537 1.00 0.00 H new ATOM 0 HD1 PHE A 553 -3.224 6.059 0.718 1.00 0.00 H new ATOM 0 HD2 PHE A 553 -2.405 9.366 3.273 1.00 0.00 H new ATOM 0 HE1 PHE A 553 -5.612 6.218 1.276 1.00 0.00 H new ATOM 0 HE2 PHE A 553 -4.789 9.528 3.833 1.00 0.00 H new ATOM 0 HZ PHE A 553 -6.399 7.953 2.836 1.00 0.00 H new ATOM 260 N GLY A 554 -0.380 5.262 -0.158 1.00 0.00 N ATOM 261 CA GLY A 554 -0.672 4.270 -1.175 1.00 0.00 C ATOM 262 C GLY A 554 0.016 2.946 -0.908 1.00 0.00 C ATOM 263 O GLY A 554 -0.503 1.886 -1.259 1.00 0.00 O ATOM 0 H GLY A 554 0.262 5.999 -0.450 1.00 0.00 H new ATOM 0 HA2 GLY A 554 -1.749 4.112 -1.226 1.00 0.00 H new ATOM 0 HA3 GLY A 554 -0.359 4.649 -2.148 1.00 0.00 H new ATOM 267 N LEU A 555 1.188 3.005 -0.285 1.00 0.00 N ATOM 268 CA LEU A 555 1.949 1.801 0.029 1.00 0.00 C ATOM 269 C LEU A 555 1.272 1.003 1.138 1.00 0.00 C ATOM 270 O LEU A 555 1.165 -0.222 1.060 1.00 0.00 O ATOM 271 CB LEU A 555 3.374 2.169 0.447 1.00 0.00 C ATOM 272 CG LEU A 555 4.142 1.101 1.226 1.00 0.00 C ATOM 273 CD1 LEU A 555 4.266 -0.173 0.406 1.00 0.00 C ATOM 274 CD2 LEU A 555 5.517 1.618 1.626 1.00 0.00 C ATOM 0 H LEU A 555 1.632 3.874 0.013 1.00 0.00 H new ATOM 0 HA LEU A 555 1.988 1.182 -0.867 1.00 0.00 H new ATOM 0 HB2 LEU A 555 3.942 2.415 -0.450 1.00 0.00 H new ATOM 0 HB3 LEU A 555 3.331 3.073 1.055 1.00 0.00 H new ATOM 0 HG LEU A 555 3.585 0.870 2.134 1.00 0.00 H new ATOM 0 HD11 LEU A 555 4.816 -0.921 0.977 1.00 0.00 H new ATOM 0 HD12 LEU A 555 3.272 -0.553 0.172 1.00 0.00 H new ATOM 0 HD13 LEU A 555 4.800 0.041 -0.520 1.00 0.00 H new ATOM 0 HD21 LEU A 555 6.050 0.845 2.180 1.00 0.00 H new ATOM 0 HD22 LEU A 555 6.082 1.878 0.731 1.00 0.00 H new ATOM 0 HD23 LEU A 555 5.405 2.502 2.254 1.00 0.00 H new ATOM 286 N LEU A 556 0.813 1.703 2.170 1.00 0.00 N ATOM 287 CA LEU A 556 0.144 1.060 3.295 1.00 0.00 C ATOM 288 C LEU A 556 -1.233 0.544 2.887 1.00 0.00 C ATOM 289 O LEU A 556 -1.482 -0.662 2.894 1.00 0.00 O ATOM 290 CB LEU A 556 0.009 2.040 4.461 1.00 0.00 C ATOM 291 CG LEU A 556 1.270 2.270 5.294 1.00 0.00 C ATOM 292 CD1 LEU A 556 1.000 3.273 6.405 1.00 0.00 C ATOM 293 CD2 LEU A 556 1.776 0.956 5.872 1.00 0.00 C ATOM 0 H LEU A 556 0.892 2.717 2.251 1.00 0.00 H new ATOM 0 HA LEU A 556 0.751 0.211 3.610 1.00 0.00 H new ATOM 0 HB2 LEU A 556 -0.321 3.001 4.066 1.00 0.00 H new ATOM 0 HB3 LEU A 556 -0.779 1.680 5.123 1.00 0.00 H new ATOM 0 HG LEU A 556 2.042 2.678 4.642 1.00 0.00 H new ATOM 0 HD11 LEU A 556 1.909 3.424 6.987 1.00 0.00 H new ATOM 0 HD12 LEU A 556 0.686 4.222 5.970 1.00 0.00 H new ATOM 0 HD13 LEU A 556 0.212 2.893 7.055 1.00 0.00 H new ATOM 0 HD21 LEU A 556 2.674 1.140 6.462 1.00 0.00 H new ATOM 0 HD22 LEU A 556 1.007 0.518 6.509 1.00 0.00 H new ATOM 0 HD23 LEU A 556 2.010 0.267 5.060 1.00 0.00 H new ATOM 305 N LEU A 557 -2.121 1.464 2.529 1.00 0.00 N ATOM 306 CA LEU A 557 -3.472 1.103 2.115 1.00 0.00 C ATOM 307 C LEU A 557 -3.440 0.134 0.938 1.00 0.00 C ATOM 308 O LEU A 557 -4.342 -0.687 0.770 1.00 0.00 O ATOM 309 CB LEU A 557 -4.263 2.356 1.736 1.00 0.00 C ATOM 310 CG LEU A 557 -4.861 3.150 2.899 1.00 0.00 C ATOM 311 CD1 LEU A 557 -5.776 2.267 3.733 1.00 0.00 C ATOM 312 CD2 LEU A 557 -3.756 3.743 3.763 1.00 0.00 C ATOM 0 H LEU A 557 -1.930 2.466 2.517 1.00 0.00 H new ATOM 0 HA LEU A 557 -3.963 0.611 2.955 1.00 0.00 H new ATOM 0 HB2 LEU A 557 -3.608 3.018 1.170 1.00 0.00 H new ATOM 0 HB3 LEU A 557 -5.073 2.062 1.069 1.00 0.00 H new ATOM 0 HG LEU A 557 -5.454 3.968 2.489 1.00 0.00 H new ATOM 0 HD11 LEU A 557 -6.192 2.849 4.556 1.00 0.00 H new ATOM 0 HD12 LEU A 557 -6.586 1.890 3.109 1.00 0.00 H new ATOM 0 HD13 LEU A 557 -5.206 1.428 4.133 1.00 0.00 H new ATOM 0 HD21 LEU A 557 -4.199 4.305 4.586 1.00 0.00 H new ATOM 0 HD22 LEU A 557 -3.137 2.940 4.164 1.00 0.00 H new ATOM 0 HD23 LEU A 557 -3.140 4.409 3.159 1.00 0.00 H new ATOM 324 N GLY A 558 -2.393 0.233 0.124 1.00 0.00 N ATOM 325 CA GLY A 558 -2.262 -0.643 -1.026 1.00 0.00 C ATOM 326 C GLY A 558 -2.053 -2.091 -0.631 1.00 0.00 C ATOM 327 O GLY A 558 -2.887 -2.947 -0.924 1.00 0.00 O ATOM 0 H GLY A 558 -1.634 0.904 0.240 1.00 0.00 H new ATOM 0 HA2 GLY A 558 -3.157 -0.564 -1.643 1.00 0.00 H new ATOM 0 HA3 GLY A 558 -1.423 -0.312 -1.637 1.00 0.00 H new ATOM 331 N ALA A 559 -0.936 -2.367 0.034 1.00 0.00 N ATOM 332 CA ALA A 559 -0.621 -3.722 0.470 1.00 0.00 C ATOM 333 C ALA A 559 -1.623 -4.211 1.511 1.00 0.00 C ATOM 334 O ALA A 559 -2.087 -5.348 1.452 1.00 0.00 O ATOM 335 CB ALA A 559 0.793 -3.781 1.027 1.00 0.00 C ATOM 0 H ALA A 559 -0.234 -1.670 0.283 1.00 0.00 H new ATOM 0 HA ALA A 559 -0.687 -4.381 -0.396 1.00 0.00 H new ATOM 0 HB1 ALA A 559 1.015 -4.798 1.349 1.00 0.00 H new ATOM 0 HB2 ALA A 559 1.501 -3.482 0.254 1.00 0.00 H new ATOM 0 HB3 ALA A 559 0.877 -3.105 1.878 1.00 0.00 H new ATOM 341 N ALA A 560 -1.950 -3.343 2.463 1.00 0.00 N ATOM 342 CA ALA A 560 -2.897 -3.687 3.516 1.00 0.00 C ATOM 343 C ALA A 560 -4.188 -4.251 2.931 1.00 0.00 C ATOM 344 O ALA A 560 -4.570 -5.386 3.222 1.00 0.00 O ATOM 345 CB ALA A 560 -3.195 -2.468 4.377 1.00 0.00 C ATOM 0 H ALA A 560 -1.573 -2.397 2.526 1.00 0.00 H new ATOM 0 HA ALA A 560 -2.444 -4.458 4.140 1.00 0.00 H new ATOM 0 HB1 ALA A 560 -3.904 -2.740 5.159 1.00 0.00 H new ATOM 0 HB2 ALA A 560 -2.272 -2.110 4.832 1.00 0.00 H new ATOM 0 HB3 ALA A 560 -3.623 -1.680 3.757 1.00 0.00 H new ATOM 351 N LEU A 561 -4.857 -3.453 2.106 1.00 0.00 N ATOM 352 CA LEU A 561 -6.105 -3.873 1.480 1.00 0.00 C ATOM 353 C LEU A 561 -5.900 -5.133 0.646 1.00 0.00 C ATOM 354 O LEU A 561 -6.769 -6.004 0.592 1.00 0.00 O ATOM 355 CB LEU A 561 -6.661 -2.750 0.602 1.00 0.00 C ATOM 356 CG LEU A 561 -8.094 -2.938 0.101 1.00 0.00 C ATOM 357 CD1 LEU A 561 -9.050 -3.115 1.270 1.00 0.00 C ATOM 358 CD2 LEU A 561 -8.515 -1.756 -0.761 1.00 0.00 C ATOM 0 H LEU A 561 -4.556 -2.511 1.855 1.00 0.00 H new ATOM 0 HA LEU A 561 -6.822 -4.097 2.270 1.00 0.00 H new ATOM 0 HB2 LEU A 561 -6.613 -1.818 1.165 1.00 0.00 H new ATOM 0 HB3 LEU A 561 -6.007 -2.634 -0.262 1.00 0.00 H new ATOM 0 HG LEU A 561 -8.130 -3.840 -0.510 1.00 0.00 H new ATOM 0 HD11 LEU A 561 -10.064 -3.247 0.894 1.00 0.00 H new ATOM 0 HD12 LEU A 561 -8.760 -3.993 1.848 1.00 0.00 H new ATOM 0 HD13 LEU A 561 -9.012 -2.232 1.908 1.00 0.00 H new ATOM 0 HD21 LEU A 561 -9.537 -1.905 -1.109 1.00 0.00 H new ATOM 0 HD22 LEU A 561 -8.462 -0.840 -0.173 1.00 0.00 H new ATOM 0 HD23 LEU A 561 -7.847 -1.675 -1.619 1.00 0.00 H new ATOM 370 N LEU A 562 -4.744 -5.225 -0.001 1.00 0.00 N ATOM 371 CA LEU A 562 -4.422 -6.381 -0.832 1.00 0.00 C ATOM 372 C LEU A 562 -4.411 -7.661 -0.003 1.00 0.00 C ATOM 373 O LEU A 562 -5.120 -8.619 -0.311 1.00 0.00 O ATOM 374 CB LEU A 562 -3.064 -6.185 -1.508 1.00 0.00 C ATOM 375 CG LEU A 562 -2.822 -7.001 -2.779 1.00 0.00 C ATOM 376 CD1 LEU A 562 -1.471 -6.657 -3.386 1.00 0.00 C ATOM 377 CD2 LEU A 562 -2.911 -8.491 -2.480 1.00 0.00 C ATOM 0 H LEU A 562 -4.014 -4.514 0.033 1.00 0.00 H new ATOM 0 HA LEU A 562 -5.192 -6.473 -1.598 1.00 0.00 H new ATOM 0 HB2 LEU A 562 -2.951 -5.129 -1.752 1.00 0.00 H new ATOM 0 HB3 LEU A 562 -2.283 -6.431 -0.788 1.00 0.00 H new ATOM 0 HG LEU A 562 -3.597 -6.748 -3.503 1.00 0.00 H new ATOM 0 HD11 LEU A 562 -1.317 -7.247 -4.289 1.00 0.00 H new ATOM 0 HD12 LEU A 562 -1.444 -5.597 -3.637 1.00 0.00 H new ATOM 0 HD13 LEU A 562 -0.682 -6.880 -2.668 1.00 0.00 H new ATOM 0 HD21 LEU A 562 -2.736 -9.057 -3.395 1.00 0.00 H new ATOM 0 HD22 LEU A 562 -2.158 -8.759 -1.739 1.00 0.00 H new ATOM 0 HD23 LEU A 562 -3.902 -8.726 -2.092 1.00 0.00 H new ATOM 389 N LEU A 563 -3.602 -7.670 1.051 1.00 0.00 N ATOM 390 CA LEU A 563 -3.499 -8.831 1.927 1.00 0.00 C ATOM 391 C LEU A 563 -4.873 -9.244 2.448 1.00 0.00 C ATOM 392 O LEU A 563 -5.193 -10.430 2.514 1.00 0.00 O ATOM 393 CB LEU A 563 -2.566 -8.529 3.100 1.00 0.00 C ATOM 394 CG LEU A 563 -1.984 -9.744 3.825 1.00 0.00 C ATOM 395 CD1 LEU A 563 -0.707 -10.211 3.146 1.00 0.00 C ATOM 396 CD2 LEU A 563 -1.723 -9.416 5.288 1.00 0.00 C ATOM 0 H LEU A 563 -3.008 -6.886 1.319 1.00 0.00 H new ATOM 0 HA LEU A 563 -3.087 -9.657 1.347 1.00 0.00 H new ATOM 0 HB2 LEU A 563 -1.740 -7.920 2.734 1.00 0.00 H new ATOM 0 HB3 LEU A 563 -3.111 -7.925 3.825 1.00 0.00 H new ATOM 0 HG LEU A 563 -2.712 -10.554 3.778 1.00 0.00 H new ATOM 0 HD11 LEU A 563 -0.308 -11.076 3.676 1.00 0.00 H new ATOM 0 HD12 LEU A 563 -0.923 -10.486 2.114 1.00 0.00 H new ATOM 0 HD13 LEU A 563 0.028 -9.406 3.160 1.00 0.00 H new ATOM 0 HD21 LEU A 563 -1.309 -10.291 5.789 1.00 0.00 H new ATOM 0 HD22 LEU A 563 -1.014 -8.591 5.355 1.00 0.00 H new ATOM 0 HD23 LEU A 563 -2.658 -9.131 5.769 1.00 0.00 H new ATOM 408 N GLY A 564 -5.682 -8.254 2.815 1.00 0.00 N ATOM 409 CA GLY A 564 -7.013 -8.534 3.323 1.00 0.00 C ATOM 410 C GLY A 564 -7.851 -9.332 2.344 1.00 0.00 C ATOM 411 O GLY A 564 -8.302 -10.434 2.658 1.00 0.00 O ATOM 0 H GLY A 564 -5.440 -7.264 2.770 1.00 0.00 H new ATOM 0 HA2 GLY A 564 -6.932 -9.084 4.260 1.00 0.00 H new ATOM 0 HA3 GLY A 564 -7.518 -7.594 3.547 1.00 0.00 H new ATOM 673 N GLY B 542 -4.373 20.685 -0.616 1.00 0.00 N ATOM 674 CA GLY B 542 -3.840 19.443 -0.088 1.00 0.00 C ATOM 675 C GLY B 542 -3.584 18.414 -1.172 1.00 0.00 C ATOM 676 O GLY B 542 -3.439 17.225 -0.887 1.00 0.00 O ATOM 0 HA2 GLY B 542 -2.910 19.647 0.442 1.00 0.00 H new ATOM 0 HA3 GLY B 542 -4.539 19.032 0.641 1.00 0.00 H new ATOM 680 N LEU B 543 -3.529 18.872 -2.418 1.00 0.00 N ATOM 681 CA LEU B 543 -3.291 17.982 -3.549 1.00 0.00 C ATOM 682 C LEU B 543 -2.276 18.588 -4.513 1.00 0.00 C ATOM 683 O LEU B 543 -2.454 19.707 -4.998 1.00 0.00 O ATOM 684 CB LEU B 543 -4.601 17.696 -4.285 1.00 0.00 C ATOM 685 CG LEU B 543 -4.520 16.692 -5.435 1.00 0.00 C ATOM 686 CD1 LEU B 543 -3.934 17.350 -6.675 1.00 0.00 C ATOM 687 CD2 LEU B 543 -3.692 15.482 -5.030 1.00 0.00 C ATOM 0 H LEU B 543 -3.646 19.853 -2.670 1.00 0.00 H new ATOM 0 HA LEU B 543 -2.887 17.046 -3.164 1.00 0.00 H new ATOM 0 HB2 LEU B 543 -5.329 17.330 -3.561 1.00 0.00 H new ATOM 0 HB3 LEU B 543 -4.987 18.637 -4.677 1.00 0.00 H new ATOM 0 HG LEU B 543 -5.529 16.354 -5.669 1.00 0.00 H new ATOM 0 HD11 LEU B 543 -3.883 16.621 -7.484 1.00 0.00 H new ATOM 0 HD12 LEU B 543 -4.567 18.185 -6.977 1.00 0.00 H new ATOM 0 HD13 LEU B 543 -2.932 17.716 -6.453 1.00 0.00 H new ATOM 0 HD21 LEU B 543 -3.645 14.778 -5.861 1.00 0.00 H new ATOM 0 HD22 LEU B 543 -2.683 15.802 -4.769 1.00 0.00 H new ATOM 0 HD23 LEU B 543 -4.153 14.997 -4.169 1.00 0.00 H new ATOM 699 N THR B 544 -1.210 17.843 -4.789 1.00 0.00 N ATOM 700 CA THR B 544 -0.167 18.306 -5.695 1.00 0.00 C ATOM 701 C THR B 544 0.363 17.163 -6.553 1.00 0.00 C ATOM 702 O THR B 544 0.205 15.991 -6.211 1.00 0.00 O ATOM 703 CB THR B 544 1.006 18.941 -4.926 1.00 0.00 C ATOM 704 OG1 THR B 544 2.054 17.982 -4.752 1.00 0.00 O ATOM 705 CG2 THR B 544 0.547 19.452 -3.568 1.00 0.00 C ATOM 0 H THR B 544 -1.047 16.915 -4.397 1.00 0.00 H new ATOM 0 HA THR B 544 -0.620 19.060 -6.338 1.00 0.00 H new ATOM 0 HB THR B 544 1.380 19.784 -5.507 1.00 0.00 H new ATOM 0 HG1 THR B 544 2.797 18.394 -4.263 1.00 0.00 H new ATOM 0 HG21 THR B 544 1.392 19.897 -3.042 1.00 0.00 H new ATOM 0 HG22 THR B 544 -0.231 20.203 -3.706 1.00 0.00 H new ATOM 0 HG23 THR B 544 0.151 18.623 -2.982 1.00 0.00 H new ATOM 713 N GLY B 545 0.994 17.510 -7.671 1.00 0.00 N ATOM 714 CA GLY B 545 1.540 16.501 -8.559 1.00 0.00 C ATOM 715 C GLY B 545 2.401 15.490 -7.829 1.00 0.00 C ATOM 716 O GLY B 545 2.280 14.285 -8.050 1.00 0.00 O ATOM 0 H GLY B 545 1.137 18.472 -7.977 1.00 0.00 H new ATOM 0 HA2 GLY B 545 0.723 15.983 -9.061 1.00 0.00 H new ATOM 0 HA3 GLY B 545 2.133 16.986 -9.334 1.00 0.00 H new ATOM 720 N GLY B 546 3.278 15.980 -6.958 1.00 0.00 N ATOM 721 CA GLY B 546 4.152 15.098 -6.208 1.00 0.00 C ATOM 722 C GLY B 546 3.384 14.142 -5.316 1.00 0.00 C ATOM 723 O GLY B 546 3.822 13.017 -5.080 1.00 0.00 O ATOM 0 H GLY B 546 3.399 16.973 -6.759 1.00 0.00 H new ATOM 0 HA2 GLY B 546 4.769 14.527 -6.902 1.00 0.00 H new ATOM 0 HA3 GLY B 546 4.829 15.695 -5.597 1.00 0.00 H new ATOM 727 N GLU B 547 2.237 14.593 -4.818 1.00 0.00 N ATOM 728 CA GLU B 547 1.409 13.769 -3.945 1.00 0.00 C ATOM 729 C GLU B 547 0.802 12.600 -4.714 1.00 0.00 C ATOM 730 O GLU B 547 0.743 11.476 -4.214 1.00 0.00 O ATOM 731 CB GLU B 547 0.297 14.611 -3.316 1.00 0.00 C ATOM 732 CG GLU B 547 0.761 15.982 -2.854 1.00 0.00 C ATOM 733 CD GLU B 547 -0.012 16.484 -1.650 1.00 0.00 C ATOM 734 OE1 GLU B 547 0.403 16.186 -0.510 1.00 0.00 O ATOM 735 OE2 GLU B 547 -1.034 17.176 -1.847 1.00 0.00 O ATOM 0 H GLU B 547 1.861 15.523 -5.004 1.00 0.00 H new ATOM 0 HA GLU B 547 2.045 13.370 -3.155 1.00 0.00 H new ATOM 0 HB2 GLU B 547 -0.508 14.734 -4.040 1.00 0.00 H new ATOM 0 HB3 GLU B 547 -0.119 14.071 -2.465 1.00 0.00 H new ATOM 0 HG2 GLU B 547 1.822 15.938 -2.608 1.00 0.00 H new ATOM 0 HG3 GLU B 547 0.653 16.693 -3.673 1.00 0.00 H new ATOM 742 N ILE B 548 0.350 12.873 -5.933 1.00 0.00 N ATOM 743 CA ILE B 548 -0.252 11.844 -6.773 1.00 0.00 C ATOM 744 C ILE B 548 0.775 10.792 -7.176 1.00 0.00 C ATOM 745 O ILE B 548 0.583 9.600 -6.943 1.00 0.00 O ATOM 746 CB ILE B 548 -0.877 12.449 -8.044 1.00 0.00 C ATOM 747 CG1 ILE B 548 -2.136 13.243 -7.692 1.00 0.00 C ATOM 748 CG2 ILE B 548 -1.199 11.353 -9.049 1.00 0.00 C ATOM 749 CD1 ILE B 548 -1.925 14.741 -7.686 1.00 0.00 C ATOM 0 H ILE B 548 0.389 13.798 -6.361 1.00 0.00 H new ATOM 0 HA ILE B 548 -1.037 11.373 -6.181 1.00 0.00 H new ATOM 0 HB ILE B 548 -0.156 13.130 -8.497 1.00 0.00 H new ATOM 0 HG12 ILE B 548 -2.922 12.998 -8.407 1.00 0.00 H new ATOM 0 HG13 ILE B 548 -2.490 12.930 -6.710 1.00 0.00 H new ATOM 0 HG21 ILE B 548 -1.640 11.796 -9.942 1.00 0.00 H new ATOM 0 HG22 ILE B 548 -0.283 10.827 -9.319 1.00 0.00 H new ATOM 0 HG23 ILE B 548 -1.905 10.650 -8.607 1.00 0.00 H new ATOM 0 HD11 ILE B 548 -2.860 15.239 -7.428 1.00 0.00 H new ATOM 0 HD12 ILE B 548 -1.162 14.998 -6.951 1.00 0.00 H new ATOM 0 HD13 ILE B 548 -1.601 15.067 -8.674 1.00 0.00 H new ATOM 761 N VAL B 549 1.869 11.243 -7.784 1.00 0.00 N ATOM 762 CA VAL B 549 2.929 10.341 -8.217 1.00 0.00 C ATOM 763 C VAL B 549 3.489 9.546 -7.043 1.00 0.00 C ATOM 764 O VAL B 549 3.927 8.408 -7.203 1.00 0.00 O ATOM 765 CB VAL B 549 4.078 11.112 -8.896 1.00 0.00 C ATOM 766 CG1 VAL B 549 3.528 12.139 -9.873 1.00 0.00 C ATOM 767 CG2 VAL B 549 4.963 11.776 -7.853 1.00 0.00 C ATOM 0 H VAL B 549 2.043 12.227 -7.987 1.00 0.00 H new ATOM 0 HA VAL B 549 2.486 9.654 -8.938 1.00 0.00 H new ATOM 0 HB VAL B 549 4.687 10.403 -9.457 1.00 0.00 H new ATOM 0 HG11 VAL B 549 4.354 12.673 -10.343 1.00 0.00 H new ATOM 0 HG12 VAL B 549 2.940 11.634 -10.639 1.00 0.00 H new ATOM 0 HG13 VAL B 549 2.895 12.847 -9.338 1.00 0.00 H new ATOM 0 HG21 VAL B 549 5.769 12.316 -8.350 1.00 0.00 H new ATOM 0 HG22 VAL B 549 4.369 12.474 -7.263 1.00 0.00 H new ATOM 0 HG23 VAL B 549 5.386 11.015 -7.197 1.00 0.00 H new ATOM 777 N ALA B 550 3.471 10.154 -5.861 1.00 0.00 N ATOM 778 CA ALA B 550 3.975 9.503 -4.659 1.00 0.00 C ATOM 779 C ALA B 550 3.085 8.333 -4.255 1.00 0.00 C ATOM 780 O ALA B 550 3.570 7.234 -3.988 1.00 0.00 O ATOM 781 CB ALA B 550 4.081 10.506 -3.520 1.00 0.00 C ATOM 0 H ALA B 550 3.112 11.097 -5.711 1.00 0.00 H new ATOM 0 HA ALA B 550 4.969 9.112 -4.877 1.00 0.00 H new ATOM 0 HB1 ALA B 550 4.459 10.006 -2.628 1.00 0.00 H new ATOM 0 HB2 ALA B 550 4.764 11.307 -3.803 1.00 0.00 H new ATOM 0 HB3 ALA B 550 3.097 10.925 -3.311 1.00 0.00 H new ATOM 787 N VAL B 551 1.778 8.577 -4.211 1.00 0.00 N ATOM 788 CA VAL B 551 0.819 7.542 -3.840 1.00 0.00 C ATOM 789 C VAL B 551 0.913 6.345 -4.778 1.00 0.00 C ATOM 790 O VAL B 551 0.988 5.199 -4.333 1.00 0.00 O ATOM 791 CB VAL B 551 -0.622 8.083 -3.856 1.00 0.00 C ATOM 792 CG1 VAL B 551 -1.620 6.946 -3.693 1.00 0.00 C ATOM 793 CG2 VAL B 551 -0.811 9.128 -2.767 1.00 0.00 C ATOM 0 H VAL B 551 1.360 9.482 -4.428 1.00 0.00 H new ATOM 0 HA VAL B 551 1.069 7.225 -2.827 1.00 0.00 H new ATOM 0 HB VAL B 551 -0.802 8.559 -4.820 1.00 0.00 H new ATOM 0 HG11 VAL B 551 -2.634 7.347 -3.707 1.00 0.00 H new ATOM 0 HG12 VAL B 551 -1.500 6.236 -4.511 1.00 0.00 H new ATOM 0 HG13 VAL B 551 -1.443 6.440 -2.744 1.00 0.00 H new ATOM 0 HG21 VAL B 551 -1.835 9.500 -2.793 1.00 0.00 H new ATOM 0 HG22 VAL B 551 -0.612 8.679 -1.794 1.00 0.00 H new ATOM 0 HG23 VAL B 551 -0.121 9.955 -2.933 1.00 0.00 H new ATOM 803 N ILE B 552 0.907 6.617 -6.079 1.00 0.00 N ATOM 804 CA ILE B 552 0.991 5.561 -7.080 1.00 0.00 C ATOM 805 C ILE B 552 2.329 4.833 -6.998 1.00 0.00 C ATOM 806 O ILE B 552 2.420 3.644 -7.307 1.00 0.00 O ATOM 807 CB ILE B 552 0.811 6.120 -8.503 1.00 0.00 C ATOM 808 CG1 ILE B 552 0.900 4.992 -9.533 1.00 0.00 C ATOM 809 CG2 ILE B 552 1.855 7.189 -8.790 1.00 0.00 C ATOM 810 CD1 ILE B 552 0.646 5.447 -10.953 1.00 0.00 C ATOM 0 H ILE B 552 0.845 7.559 -6.464 1.00 0.00 H new ATOM 0 HA ILE B 552 0.184 4.860 -6.869 1.00 0.00 H new ATOM 0 HB ILE B 552 -0.176 6.576 -8.575 1.00 0.00 H new ATOM 0 HG12 ILE B 552 1.889 4.538 -9.477 1.00 0.00 H new ATOM 0 HG13 ILE B 552 0.178 4.217 -9.274 1.00 0.00 H new ATOM 0 HG21 ILE B 552 1.714 7.574 -9.800 1.00 0.00 H new ATOM 0 HG22 ILE B 552 1.748 8.003 -8.073 1.00 0.00 H new ATOM 0 HG23 ILE B 552 2.852 6.757 -8.703 1.00 0.00 H new ATOM 0 HD11 ILE B 552 0.726 4.595 -11.628 1.00 0.00 H new ATOM 0 HD12 ILE B 552 -0.354 5.875 -11.025 1.00 0.00 H new ATOM 0 HD13 ILE B 552 1.383 6.200 -11.231 1.00 0.00 H new ATOM 822 N PHE B 553 3.364 5.552 -6.578 1.00 0.00 N ATOM 823 CA PHE B 553 4.697 4.974 -6.453 1.00 0.00 C ATOM 824 C PHE B 553 4.720 3.885 -5.385 1.00 0.00 C ATOM 825 O PHE B 553 5.152 2.761 -5.638 1.00 0.00 O ATOM 826 CB PHE B 553 5.718 6.061 -6.112 1.00 0.00 C ATOM 827 CG PHE B 553 7.135 5.669 -6.417 1.00 0.00 C ATOM 828 CD1 PHE B 553 7.738 4.620 -5.743 1.00 0.00 C ATOM 829 CD2 PHE B 553 7.866 6.351 -7.377 1.00 0.00 C ATOM 830 CE1 PHE B 553 9.043 4.256 -6.021 1.00 0.00 C ATOM 831 CE2 PHE B 553 9.170 5.992 -7.659 1.00 0.00 C ATOM 832 CZ PHE B 553 9.760 4.944 -6.980 1.00 0.00 C ATOM 0 H PHE B 553 3.306 6.537 -6.318 1.00 0.00 H new ATOM 0 HA PHE B 553 4.962 4.525 -7.410 1.00 0.00 H new ATOM 0 HB2 PHE B 553 5.472 6.966 -6.667 1.00 0.00 H new ATOM 0 HB3 PHE B 553 5.637 6.305 -5.053 1.00 0.00 H new ATOM 0 HD1 PHE B 553 7.182 4.080 -4.991 1.00 0.00 H new ATOM 0 HD2 PHE B 553 7.411 7.172 -7.911 1.00 0.00 H new ATOM 0 HE1 PHE B 553 9.501 3.435 -5.489 1.00 0.00 H new ATOM 0 HE2 PHE B 553 9.728 6.531 -8.410 1.00 0.00 H new ATOM 0 HZ PHE B 553 10.780 4.663 -7.199 1.00 0.00 H new ATOM 842 N GLY B 554 4.253 4.228 -4.189 1.00 0.00 N ATOM 843 CA GLY B 554 4.229 3.271 -3.099 1.00 0.00 C ATOM 844 C GLY B 554 3.119 2.249 -3.248 1.00 0.00 C ATOM 845 O GLY B 554 3.242 1.115 -2.784 1.00 0.00 O ATOM 0 H GLY B 554 3.891 5.152 -3.955 1.00 0.00 H new ATOM 0 HA2 GLY B 554 5.188 2.756 -3.051 1.00 0.00 H new ATOM 0 HA3 GLY B 554 4.105 3.803 -2.156 1.00 0.00 H new ATOM 849 N LEU B 555 2.031 2.652 -3.895 1.00 0.00 N ATOM 850 CA LEU B 555 0.892 1.764 -4.102 1.00 0.00 C ATOM 851 C LEU B 555 1.223 0.684 -5.127 1.00 0.00 C ATOM 852 O LEU B 555 0.890 -0.487 -4.940 1.00 0.00 O ATOM 853 CB LEU B 555 -0.327 2.565 -4.564 1.00 0.00 C ATOM 854 CG LEU B 555 -1.444 1.762 -5.230 1.00 0.00 C ATOM 855 CD1 LEU B 555 -2.007 0.728 -4.266 1.00 0.00 C ATOM 856 CD2 LEU B 555 -2.546 2.688 -5.725 1.00 0.00 C ATOM 0 H LEU B 555 1.913 3.587 -4.285 1.00 0.00 H new ATOM 0 HA LEU B 555 0.663 1.280 -3.153 1.00 0.00 H new ATOM 0 HB2 LEU B 555 -0.744 3.084 -3.701 1.00 0.00 H new ATOM 0 HB3 LEU B 555 0.010 3.330 -5.263 1.00 0.00 H new ATOM 0 HG LEU B 555 -1.025 1.238 -6.089 1.00 0.00 H new ATOM 0 HD11 LEU B 555 -2.801 0.166 -4.758 1.00 0.00 H new ATOM 0 HD12 LEU B 555 -1.214 0.045 -3.961 1.00 0.00 H new ATOM 0 HD13 LEU B 555 -2.410 1.231 -3.387 1.00 0.00 H new ATOM 0 HD21 LEU B 555 -3.332 2.098 -6.196 1.00 0.00 H new ATOM 0 HD22 LEU B 555 -2.962 3.241 -4.883 1.00 0.00 H new ATOM 0 HD23 LEU B 555 -2.134 3.389 -6.451 1.00 0.00 H new ATOM 868 N LEU B 556 1.882 1.084 -6.209 1.00 0.00 N ATOM 869 CA LEU B 556 2.261 0.151 -7.264 1.00 0.00 C ATOM 870 C LEU B 556 3.342 -0.810 -6.777 1.00 0.00 C ATOM 871 O LEU B 556 3.175 -2.030 -6.834 1.00 0.00 O ATOM 872 CB LEU B 556 2.757 0.913 -8.493 1.00 0.00 C ATOM 873 CG LEU B 556 1.676 1.490 -9.407 1.00 0.00 C ATOM 874 CD1 LEU B 556 2.304 2.235 -10.574 1.00 0.00 C ATOM 875 CD2 LEU B 556 0.757 0.385 -9.909 1.00 0.00 C ATOM 0 H LEU B 556 2.165 2.049 -6.379 1.00 0.00 H new ATOM 0 HA LEU B 556 1.379 -0.429 -7.536 1.00 0.00 H new ATOM 0 HB2 LEU B 556 3.394 1.731 -8.156 1.00 0.00 H new ATOM 0 HB3 LEU B 556 3.383 0.243 -9.082 1.00 0.00 H new ATOM 0 HG LEU B 556 1.080 2.198 -8.831 1.00 0.00 H new ATOM 0 HD11 LEU B 556 1.519 2.638 -11.213 1.00 0.00 H new ATOM 0 HD12 LEU B 556 2.919 3.052 -10.196 1.00 0.00 H new ATOM 0 HD13 LEU B 556 2.925 1.550 -11.151 1.00 0.00 H new ATOM 0 HD21 LEU B 556 -0.007 0.814 -10.558 1.00 0.00 H new ATOM 0 HD22 LEU B 556 1.340 -0.347 -10.468 1.00 0.00 H new ATOM 0 HD23 LEU B 556 0.279 -0.104 -9.060 1.00 0.00 H new ATOM 887 N LEU B 557 4.448 -0.253 -6.297 1.00 0.00 N ATOM 888 CA LEU B 557 5.556 -1.061 -5.798 1.00 0.00 C ATOM 889 C LEU B 557 5.156 -1.810 -4.530 1.00 0.00 C ATOM 890 O LEU B 557 5.707 -2.866 -4.222 1.00 0.00 O ATOM 891 CB LEU B 557 6.773 -0.177 -5.520 1.00 0.00 C ATOM 892 CG LEU B 557 7.618 0.204 -6.737 1.00 0.00 C ATOM 893 CD1 LEU B 557 8.782 1.090 -6.322 1.00 0.00 C ATOM 894 CD2 LEU B 557 8.120 -1.043 -7.449 1.00 0.00 C ATOM 0 H LEU B 557 4.602 0.754 -6.243 1.00 0.00 H new ATOM 0 HA LEU B 557 5.814 -1.793 -6.564 1.00 0.00 H new ATOM 0 HB2 LEU B 557 6.429 0.739 -5.040 1.00 0.00 H new ATOM 0 HB3 LEU B 557 7.414 -0.691 -4.804 1.00 0.00 H new ATOM 0 HG LEU B 557 6.991 0.765 -7.430 1.00 0.00 H new ATOM 0 HD11 LEU B 557 9.372 1.351 -7.201 1.00 0.00 H new ATOM 0 HD12 LEU B 557 8.400 1.999 -5.858 1.00 0.00 H new ATOM 0 HD13 LEU B 557 9.410 0.556 -5.609 1.00 0.00 H new ATOM 0 HD21 LEU B 557 8.719 -0.753 -8.312 1.00 0.00 H new ATOM 0 HD22 LEU B 557 8.731 -1.632 -6.765 1.00 0.00 H new ATOM 0 HD23 LEU B 557 7.270 -1.639 -7.781 1.00 0.00 H new ATOM 906 N GLY B 558 4.194 -1.255 -3.800 1.00 0.00 N ATOM 907 CA GLY B 558 3.736 -1.884 -2.575 1.00 0.00 C ATOM 908 C GLY B 558 3.037 -3.205 -2.829 1.00 0.00 C ATOM 909 O GLY B 558 3.497 -4.254 -2.381 1.00 0.00 O ATOM 0 H GLY B 558 3.723 -0.381 -4.035 1.00 0.00 H new ATOM 0 HA2 GLY B 558 4.587 -2.048 -1.914 1.00 0.00 H new ATOM 0 HA3 GLY B 558 3.055 -1.210 -2.056 1.00 0.00 H new ATOM 913 N ALA B 559 1.920 -3.153 -3.548 1.00 0.00 N ATOM 914 CA ALA B 559 1.156 -4.355 -3.860 1.00 0.00 C ATOM 915 C ALA B 559 1.959 -5.300 -4.748 1.00 0.00 C ATOM 916 O ALA B 559 1.973 -6.511 -4.527 1.00 0.00 O ATOM 917 CB ALA B 559 -0.158 -3.984 -4.533 1.00 0.00 C ATOM 0 H ALA B 559 1.524 -2.292 -3.925 1.00 0.00 H new ATOM 0 HA ALA B 559 0.940 -4.872 -2.925 1.00 0.00 H new ATOM 0 HB1 ALA B 559 -0.719 -4.890 -4.761 1.00 0.00 H new ATOM 0 HB2 ALA B 559 -0.744 -3.353 -3.864 1.00 0.00 H new ATOM 0 HB3 ALA B 559 0.046 -3.442 -5.456 1.00 0.00 H new ATOM 923 N ALA B 560 2.625 -4.739 -5.752 1.00 0.00 N ATOM 924 CA ALA B 560 3.430 -5.532 -6.672 1.00 0.00 C ATOM 925 C ALA B 560 4.395 -6.439 -5.915 1.00 0.00 C ATOM 926 O ALA B 560 4.354 -7.662 -6.056 1.00 0.00 O ATOM 927 CB ALA B 560 4.194 -4.624 -7.623 1.00 0.00 C ATOM 0 H ALA B 560 2.623 -3.738 -5.949 1.00 0.00 H new ATOM 0 HA ALA B 560 2.757 -6.163 -7.252 1.00 0.00 H new ATOM 0 HB1 ALA B 560 4.791 -5.230 -8.304 1.00 0.00 H new ATOM 0 HB2 ALA B 560 3.489 -4.022 -8.196 1.00 0.00 H new ATOM 0 HB3 ALA B 560 4.850 -3.968 -7.051 1.00 0.00 H new ATOM 933 N LEU B 561 5.263 -5.833 -5.112 1.00 0.00 N ATOM 934 CA LEU B 561 6.239 -6.586 -4.333 1.00 0.00 C ATOM 935 C LEU B 561 5.546 -7.574 -3.399 1.00 0.00 C ATOM 936 O LEU B 561 6.035 -8.682 -3.176 1.00 0.00 O ATOM 937 CB LEU B 561 7.119 -5.633 -3.523 1.00 0.00 C ATOM 938 CG LEU B 561 8.075 -6.287 -2.524 1.00 0.00 C ATOM 939 CD1 LEU B 561 9.046 -7.211 -3.240 1.00 0.00 C ATOM 940 CD2 LEU B 561 8.828 -5.226 -1.734 1.00 0.00 C ATOM 0 H LEU B 561 5.311 -4.822 -4.984 1.00 0.00 H new ATOM 0 HA LEU B 561 6.865 -7.148 -5.027 1.00 0.00 H new ATOM 0 HB2 LEU B 561 7.706 -5.034 -4.218 1.00 0.00 H new ATOM 0 HB3 LEU B 561 6.471 -4.946 -2.979 1.00 0.00 H new ATOM 0 HG LEU B 561 7.488 -6.883 -1.825 1.00 0.00 H new ATOM 0 HD11 LEU B 561 9.718 -7.667 -2.513 1.00 0.00 H new ATOM 0 HD12 LEU B 561 8.490 -7.991 -3.759 1.00 0.00 H new ATOM 0 HD13 LEU B 561 9.628 -6.638 -3.962 1.00 0.00 H new ATOM 0 HD21 LEU B 561 9.504 -5.709 -1.028 1.00 0.00 H new ATOM 0 HD22 LEU B 561 9.403 -4.603 -2.418 1.00 0.00 H new ATOM 0 HD23 LEU B 561 8.117 -4.605 -1.189 1.00 0.00 H new ATOM 952 N LEU B 562 4.404 -7.165 -2.857 1.00 0.00 N ATOM 953 CA LEU B 562 3.641 -8.014 -1.949 1.00 0.00 C ATOM 954 C LEU B 562 3.207 -9.302 -2.643 1.00 0.00 C ATOM 955 O LEU B 562 3.508 -10.402 -2.178 1.00 0.00 O ATOM 956 CB LEU B 562 2.414 -7.264 -1.427 1.00 0.00 C ATOM 957 CG LEU B 562 1.828 -7.772 -0.109 1.00 0.00 C ATOM 958 CD1 LEU B 562 0.664 -6.896 0.329 1.00 0.00 C ATOM 959 CD2 LEU B 562 1.385 -9.221 -0.246 1.00 0.00 C ATOM 0 H LEU B 562 3.986 -6.251 -3.031 1.00 0.00 H new ATOM 0 HA LEU B 562 4.284 -8.275 -1.109 1.00 0.00 H new ATOM 0 HB2 LEU B 562 2.680 -6.214 -1.303 1.00 0.00 H new ATOM 0 HB3 LEU B 562 1.635 -7.307 -2.188 1.00 0.00 H new ATOM 0 HG LEU B 562 2.603 -7.721 0.656 1.00 0.00 H new ATOM 0 HD11 LEU B 562 0.259 -7.272 1.269 1.00 0.00 H new ATOM 0 HD12 LEU B 562 1.011 -5.872 0.467 1.00 0.00 H new ATOM 0 HD13 LEU B 562 -0.113 -6.915 -0.435 1.00 0.00 H new ATOM 0 HD21 LEU B 562 0.971 -9.566 0.701 1.00 0.00 H new ATOM 0 HD22 LEU B 562 0.625 -9.297 -1.024 1.00 0.00 H new ATOM 0 HD23 LEU B 562 2.242 -9.840 -0.514 1.00 0.00 H new