USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 441 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 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 86:sc= 0.977 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -170:sc= -0.152 USER MOD Single : A 59 THR OG1 : rot 83:sc= 0.999 USER MOD Single : A 65 THR OG1 : rot 95:sc= 0.0239 USER MOD Single : A 67 MET CE :methyl 147:sc= -0.492 (180deg=-0.759) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl 148:sc= -0.0539 (180deg=-2.19) USER MOD Single : A 90 MET CE :methyl -143:sc= 0 (180deg=-0.0727) USER MOD ----------------------------------------------------------------- ATOM 102 N TYR A 8 -11.890 14.766 -23.927 1.00 0.00 N ATOM 103 CA TYR A 8 -12.862 13.818 -23.409 1.00 0.00 C ATOM 104 C TYR A 8 -12.904 12.552 -24.267 1.00 0.00 C ATOM 105 O TYR A 8 -12.657 11.454 -23.771 1.00 0.00 O ATOM 106 CB TYR A 8 -14.219 14.519 -23.489 1.00 0.00 C ATOM 107 CG TYR A 8 -15.319 13.843 -22.668 1.00 0.00 C ATOM 108 CD1 TYR A 8 -15.954 12.720 -23.158 1.00 0.00 C ATOM 109 CD2 TYR A 8 -15.675 14.356 -21.437 1.00 0.00 C ATOM 110 CE1 TYR A 8 -16.989 12.084 -22.385 1.00 0.00 C ATOM 111 CE2 TYR A 8 -16.710 13.719 -20.664 1.00 0.00 C ATOM 112 CZ TYR A 8 -17.316 12.615 -21.176 1.00 0.00 C ATOM 113 OH TYR A 8 -18.293 12.013 -20.446 1.00 0.00 O ATOM 0 HA TYR A 8 -12.604 13.521 -22.392 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -14.105 15.548 -23.147 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -14.533 14.562 -24.532 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -15.675 12.318 -24.121 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -15.178 15.235 -21.054 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -17.494 11.205 -22.757 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -16.998 14.110 -19.699 1.00 0.00 H new ATOM 0 HH TYR A 8 -18.420 12.500 -19.605 1.00 0.00 H new ATOM 123 N ALA A 9 -13.218 12.748 -25.539 1.00 0.00 N ATOM 124 CA ALA A 9 -13.295 11.635 -26.470 1.00 0.00 C ATOM 125 C ALA A 9 -11.930 10.949 -26.553 1.00 0.00 C ATOM 126 O ALA A 9 -11.839 9.786 -26.942 1.00 0.00 O ATOM 127 CB ALA A 9 -13.776 12.141 -27.832 1.00 0.00 C ATOM 0 H ALA A 9 -13.422 13.660 -25.947 1.00 0.00 H new ATOM 0 HA ALA A 9 -14.016 10.894 -26.123 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -13.834 11.306 -28.531 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -14.762 12.593 -27.725 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -13.075 12.884 -28.212 1.00 0.00 H new ATOM 133 N ALA A 10 -10.903 11.698 -26.180 1.00 0.00 N ATOM 134 CA ALA A 10 -9.547 11.176 -26.207 1.00 0.00 C ATOM 135 C ALA A 10 -9.432 10.018 -25.215 1.00 0.00 C ATOM 136 O ALA A 10 -9.230 8.872 -25.614 1.00 0.00 O ATOM 137 CB ALA A 10 -8.560 12.305 -25.903 1.00 0.00 C ATOM 0 H ALA A 10 -10.982 12.662 -25.857 1.00 0.00 H new ATOM 0 HA ALA A 10 -9.304 10.788 -27.196 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.543 11.914 -25.923 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.662 13.089 -26.653 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -8.771 12.717 -24.916 1.00 0.00 H new ATOM 143 N LEU A 11 -9.564 10.356 -23.940 1.00 0.00 N ATOM 144 CA LEU A 11 -9.476 9.358 -22.888 1.00 0.00 C ATOM 145 C LEU A 11 -10.486 8.242 -23.165 1.00 0.00 C ATOM 146 O LEU A 11 -10.188 7.066 -22.961 1.00 0.00 O ATOM 147 CB LEU A 11 -9.643 10.011 -21.515 1.00 0.00 C ATOM 148 CG LEU A 11 -11.079 10.335 -21.096 1.00 0.00 C ATOM 149 CD1 LEU A 11 -11.769 9.103 -20.507 1.00 0.00 C ATOM 150 CD2 LEU A 11 -11.115 11.526 -20.136 1.00 0.00 C ATOM 0 H LEU A 11 -9.731 11.307 -23.612 1.00 0.00 H new ATOM 0 HA LEU A 11 -8.487 8.899 -22.879 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -9.207 9.351 -20.765 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -9.064 10.935 -21.501 1.00 0.00 H new ATOM 0 HG LEU A 11 -11.638 10.623 -21.986 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -12.788 9.360 -20.217 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -11.793 8.308 -21.253 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -11.218 8.761 -19.631 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -12.147 11.735 -19.854 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -10.535 11.291 -19.243 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -10.688 12.401 -20.626 1.00 0.00 H new ATOM 162 N VAL A 12 -11.659 8.650 -23.625 1.00 0.00 N ATOM 163 CA VAL A 12 -12.714 7.699 -23.931 1.00 0.00 C ATOM 164 C VAL A 12 -12.186 6.659 -24.921 1.00 0.00 C ATOM 165 O VAL A 12 -12.354 5.458 -24.714 1.00 0.00 O ATOM 166 CB VAL A 12 -13.952 8.438 -24.445 1.00 0.00 C ATOM 167 CG1 VAL A 12 -15.044 7.452 -24.864 1.00 0.00 C ATOM 168 CG2 VAL A 12 -14.475 9.424 -23.399 1.00 0.00 C ATOM 0 H VAL A 12 -11.902 9.626 -23.793 1.00 0.00 H new ATOM 0 HA VAL A 12 -13.020 7.166 -23.031 1.00 0.00 H new ATOM 0 HB VAL A 12 -13.660 9.009 -25.327 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -15.912 8.003 -25.225 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -14.667 6.807 -25.658 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -15.332 6.842 -24.008 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -15.355 9.936 -23.789 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -14.743 8.883 -22.491 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -13.701 10.156 -23.170 1.00 0.00 H new ATOM 178 N THR A 13 -11.556 7.157 -25.975 1.00 0.00 N ATOM 179 CA THR A 13 -11.002 6.286 -26.997 1.00 0.00 C ATOM 180 C THR A 13 -9.913 5.391 -26.401 1.00 0.00 C ATOM 181 O THR A 13 -9.790 4.225 -26.775 1.00 0.00 O ATOM 182 CB THR A 13 -10.504 7.163 -28.147 1.00 0.00 C ATOM 183 OG1 THR A 13 -11.698 7.678 -28.732 1.00 0.00 O ATOM 184 CG2 THR A 13 -9.861 6.348 -29.270 1.00 0.00 C ATOM 0 H THR A 13 -11.417 8.153 -26.143 1.00 0.00 H new ATOM 0 HA THR A 13 -11.759 5.607 -27.391 1.00 0.00 H new ATOM 0 HB THR A 13 -9.783 7.886 -27.766 1.00 0.00 H new ATOM 0 HG1 THR A 13 -11.971 8.491 -28.257 1.00 0.00 H new ATOM 0 HG21 THR A 13 -9.525 7.019 -30.060 1.00 0.00 H new ATOM 0 HG22 THR A 13 -9.008 5.796 -28.876 1.00 0.00 H new ATOM 0 HG23 THR A 13 -10.591 5.647 -29.675 1.00 0.00 H new ATOM 192 N PHE A 14 -9.152 5.969 -25.484 1.00 0.00 N ATOM 193 CA PHE A 14 -8.078 5.238 -24.833 1.00 0.00 C ATOM 194 C PHE A 14 -8.626 4.048 -24.043 1.00 0.00 C ATOM 195 O PHE A 14 -8.185 2.916 -24.235 1.00 0.00 O ATOM 196 CB PHE A 14 -7.399 6.209 -23.865 1.00 0.00 C ATOM 197 CG PHE A 14 -5.951 5.845 -23.532 1.00 0.00 C ATOM 198 CD1 PHE A 14 -4.971 6.044 -24.454 1.00 0.00 C ATOM 199 CD2 PHE A 14 -5.643 5.323 -22.315 1.00 0.00 C ATOM 200 CE1 PHE A 14 -3.627 5.707 -24.146 1.00 0.00 C ATOM 201 CE2 PHE A 14 -4.299 4.985 -22.007 1.00 0.00 C ATOM 202 CZ PHE A 14 -3.319 5.184 -22.929 1.00 0.00 C ATOM 0 H PHE A 14 -9.258 6.936 -25.176 1.00 0.00 H new ATOM 0 HA PHE A 14 -7.382 4.855 -25.579 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -7.421 7.210 -24.296 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -7.975 6.247 -22.940 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -5.216 6.459 -25.421 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -6.421 5.165 -21.583 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.849 5.866 -24.878 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -4.055 4.570 -21.040 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.297 4.927 -22.695 1.00 0.00 H new ATOM 212 N GLY A 15 -9.578 4.345 -23.171 1.00 0.00 N ATOM 213 CA GLY A 15 -10.190 3.313 -22.351 1.00 0.00 C ATOM 214 C GLY A 15 -10.991 2.333 -23.211 1.00 0.00 C ATOM 215 O GLY A 15 -11.180 1.179 -22.830 1.00 0.00 O ATOM 0 H GLY A 15 -9.941 5.285 -23.014 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -9.418 2.774 -21.802 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -10.845 3.772 -21.611 1.00 0.00 H new ATOM 219 N SER A 16 -11.441 2.829 -24.354 1.00 0.00 N ATOM 220 CA SER A 16 -12.217 2.012 -25.271 1.00 0.00 C ATOM 221 C SER A 16 -11.341 0.899 -25.850 1.00 0.00 C ATOM 222 O SER A 16 -11.707 -0.274 -25.800 1.00 0.00 O ATOM 223 CB SER A 16 -12.811 2.860 -26.397 1.00 0.00 C ATOM 224 OG SER A 16 -14.232 2.767 -26.442 1.00 0.00 O ATOM 0 H SER A 16 -11.283 3.787 -24.666 1.00 0.00 H new ATOM 0 HA SER A 16 -13.042 1.565 -24.716 1.00 0.00 H new ATOM 0 HB2 SER A 16 -12.520 3.901 -26.259 1.00 0.00 H new ATOM 0 HB3 SER A 16 -12.396 2.537 -27.352 1.00 0.00 H new ATOM 0 HG SER A 16 -14.573 3.324 -27.173 1.00 0.00 H new ATOM 230 N ILE A 17 -10.200 1.306 -26.387 1.00 0.00 N ATOM 231 CA ILE A 17 -9.269 0.359 -26.975 1.00 0.00 C ATOM 232 C ILE A 17 -8.667 -0.511 -25.869 1.00 0.00 C ATOM 233 O ILE A 17 -8.870 -1.724 -25.849 1.00 0.00 O ATOM 234 CB ILE A 17 -8.223 1.089 -27.820 1.00 0.00 C ATOM 235 CG1 ILE A 17 -8.888 1.896 -28.937 1.00 0.00 C ATOM 236 CG2 ILE A 17 -7.178 0.113 -28.363 1.00 0.00 C ATOM 237 CD1 ILE A 17 -7.895 2.868 -29.577 1.00 0.00 C ATOM 0 H ILE A 17 -9.899 2.280 -26.427 1.00 0.00 H new ATOM 0 HA ILE A 17 -9.789 -0.310 -27.661 1.00 0.00 H new ATOM 0 HB ILE A 17 -7.699 1.797 -27.178 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -9.280 1.219 -29.696 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -9.736 2.450 -28.535 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.447 0.658 -28.960 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -6.673 -0.379 -27.532 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -7.668 -0.636 -28.985 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -8.393 3.429 -30.368 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -7.523 3.559 -28.820 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -7.060 2.309 -29.999 1.00 0.00 H new ATOM 249 N PHE A 18 -7.938 0.143 -24.977 1.00 0.00 N ATOM 250 CA PHE A 18 -7.305 -0.556 -23.871 1.00 0.00 C ATOM 251 C PHE A 18 -8.252 -1.594 -23.265 1.00 0.00 C ATOM 252 O PHE A 18 -7.884 -2.757 -23.106 1.00 0.00 O ATOM 253 CB PHE A 18 -6.973 0.495 -22.809 1.00 0.00 C ATOM 254 CG PHE A 18 -5.730 0.169 -21.979 1.00 0.00 C ATOM 255 CD1 PHE A 18 -4.495 0.503 -22.443 1.00 0.00 C ATOM 256 CD2 PHE A 18 -5.859 -0.454 -20.777 1.00 0.00 C ATOM 257 CE1 PHE A 18 -3.342 0.200 -21.672 1.00 0.00 C ATOM 258 CE2 PHE A 18 -4.705 -0.757 -20.006 1.00 0.00 C ATOM 259 CZ PHE A 18 -3.471 -0.423 -20.470 1.00 0.00 C ATOM 0 H PHE A 18 -7.771 1.149 -24.997 1.00 0.00 H new ATOM 0 HA PHE A 18 -6.414 -1.077 -24.221 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -6.828 1.458 -23.298 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -7.826 0.603 -22.140 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -4.392 0.998 -23.397 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -6.839 -0.718 -20.409 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.362 0.464 -22.040 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -4.808 -1.252 -19.052 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.593 -0.653 -19.884 1.00 0.00 H new ATOM 441 N ILE A 30 -6.439 -8.304 -6.991 1.00 0.00 N ATOM 442 CA ILE A 30 -6.261 -7.868 -5.616 1.00 0.00 C ATOM 443 C ILE A 30 -5.003 -7.003 -5.520 1.00 0.00 C ATOM 444 O ILE A 30 -4.972 -6.027 -4.772 1.00 0.00 O ATOM 445 CB ILE A 30 -6.255 -9.070 -4.669 1.00 0.00 C ATOM 446 CG1 ILE A 30 -6.810 -8.688 -3.295 1.00 0.00 C ATOM 447 CG2 ILE A 30 -4.858 -9.685 -4.572 1.00 0.00 C ATOM 448 CD1 ILE A 30 -5.809 -7.830 -2.518 1.00 0.00 C ATOM 0 HA ILE A 30 -7.100 -7.248 -5.301 1.00 0.00 H new ATOM 0 HB ILE A 30 -6.914 -9.833 -5.082 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -7.746 -8.142 -3.416 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.039 -9.590 -2.728 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.882 -10.537 -3.893 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -4.537 -10.017 -5.559 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.158 -8.940 -4.195 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -6.228 -7.573 -1.545 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.883 -8.388 -2.378 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -5.601 -6.917 -3.077 1.00 0.00 H new ATOM 460 N ALA A 31 -3.995 -7.393 -6.286 1.00 0.00 N ATOM 461 CA ALA A 31 -2.737 -6.665 -6.297 1.00 0.00 C ATOM 462 C ALA A 31 -2.980 -5.243 -6.806 1.00 0.00 C ATOM 463 O ALA A 31 -2.684 -4.272 -6.111 1.00 0.00 O ATOM 464 CB ALA A 31 -1.716 -7.423 -7.147 1.00 0.00 C ATOM 0 H ALA A 31 -4.024 -8.204 -6.904 1.00 0.00 H new ATOM 0 HA ALA A 31 -2.329 -6.588 -5.289 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -0.773 -6.877 -7.155 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.557 -8.416 -6.726 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.090 -7.517 -8.167 1.00 0.00 H new ATOM 470 N GLY A 32 -3.517 -5.165 -8.015 1.00 0.00 N ATOM 471 CA GLY A 32 -3.803 -3.878 -8.625 1.00 0.00 C ATOM 472 C GLY A 32 -4.715 -3.037 -7.729 1.00 0.00 C ATOM 473 O GLY A 32 -4.390 -1.897 -7.402 1.00 0.00 O ATOM 0 H GLY A 32 -3.761 -5.972 -8.588 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.871 -3.342 -8.806 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.278 -4.029 -9.594 1.00 0.00 H new ATOM 477 N LEU A 33 -5.839 -3.633 -7.358 1.00 0.00 N ATOM 478 CA LEU A 33 -6.800 -2.953 -6.507 1.00 0.00 C ATOM 479 C LEU A 33 -6.061 -2.265 -5.358 1.00 0.00 C ATOM 480 O LEU A 33 -6.078 -1.040 -5.248 1.00 0.00 O ATOM 481 CB LEU A 33 -7.888 -3.925 -6.045 1.00 0.00 C ATOM 482 CG LEU A 33 -8.750 -3.457 -4.870 1.00 0.00 C ATOM 483 CD1 LEU A 33 -10.170 -3.124 -5.331 1.00 0.00 C ATOM 484 CD2 LEU A 33 -8.741 -4.488 -3.739 1.00 0.00 C ATOM 0 H LEU A 33 -6.105 -4.579 -7.631 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.318 -2.173 -7.065 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.544 -4.134 -6.890 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.413 -4.867 -5.769 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.317 -2.539 -4.472 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.762 -2.794 -4.477 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.134 -2.329 -6.076 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.628 -4.011 -5.769 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.361 -4.131 -2.916 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.136 -5.435 -4.107 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.720 -4.633 -3.387 1.00 0.00 H new ATOM 496 N PHE A 34 -5.429 -3.084 -4.529 1.00 0.00 N ATOM 497 CA PHE A 34 -4.684 -2.570 -3.392 1.00 0.00 C ATOM 498 C PHE A 34 -3.827 -1.368 -3.795 1.00 0.00 C ATOM 499 O PHE A 34 -3.976 -0.281 -3.240 1.00 0.00 O ATOM 500 CB PHE A 34 -3.768 -3.697 -2.911 1.00 0.00 C ATOM 501 CG PHE A 34 -3.600 -3.756 -1.392 1.00 0.00 C ATOM 502 CD1 PHE A 34 -2.906 -2.780 -0.746 1.00 0.00 C ATOM 503 CD2 PHE A 34 -4.143 -4.784 -0.687 1.00 0.00 C ATOM 504 CE1 PHE A 34 -2.750 -2.835 0.665 1.00 0.00 C ATOM 505 CE2 PHE A 34 -3.987 -4.839 0.723 1.00 0.00 C ATOM 506 CZ PHE A 34 -3.294 -3.864 1.369 1.00 0.00 C ATOM 0 H PHE A 34 -5.418 -4.100 -4.622 1.00 0.00 H new ATOM 0 HA PHE A 34 -5.373 -2.245 -2.612 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -4.167 -4.650 -3.259 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -2.787 -3.575 -3.370 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.474 -1.964 -1.306 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -4.693 -5.559 -1.200 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -2.200 -2.060 1.178 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -4.419 -5.656 1.283 1.00 0.00 H new ATOM 0 HZ PHE A 34 -3.175 -3.906 2.442 1.00 0.00 H new ATOM 516 N VAL A 35 -2.949 -1.605 -4.758 1.00 0.00 N ATOM 517 CA VAL A 35 -2.068 -0.556 -5.243 1.00 0.00 C ATOM 518 C VAL A 35 -2.872 0.731 -5.434 1.00 0.00 C ATOM 519 O VAL A 35 -2.398 1.818 -5.107 1.00 0.00 O ATOM 520 CB VAL A 35 -1.361 -1.014 -6.520 1.00 0.00 C ATOM 521 CG1 VAL A 35 -0.719 0.170 -7.246 1.00 0.00 C ATOM 522 CG2 VAL A 35 -0.325 -2.098 -6.214 1.00 0.00 C ATOM 0 H VAL A 35 -2.829 -2.508 -5.216 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.286 -0.346 -4.513 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.111 -1.446 -7.183 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.223 -0.183 -8.150 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.489 0.894 -7.513 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.013 0.644 -6.592 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.163 -2.406 -7.139 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.421 -1.704 -5.524 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.820 -2.957 -5.761 1.00 0.00 H new ATOM 532 N GLY A 36 -4.076 0.566 -5.962 1.00 0.00 N ATOM 533 CA GLY A 36 -4.950 1.702 -6.201 1.00 0.00 C ATOM 534 C GLY A 36 -5.383 2.347 -4.883 1.00 0.00 C ATOM 535 O GLY A 36 -5.348 3.569 -4.745 1.00 0.00 O ATOM 0 H GLY A 36 -4.467 -0.337 -6.231 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.435 2.438 -6.818 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -5.829 1.378 -6.758 1.00 0.00 H new ATOM 539 N CYS A 37 -5.781 1.497 -3.947 1.00 0.00 N ATOM 540 CA CYS A 37 -6.220 1.969 -2.645 1.00 0.00 C ATOM 541 C CYS A 37 -5.142 2.897 -2.082 1.00 0.00 C ATOM 542 O CYS A 37 -5.453 3.943 -1.514 1.00 0.00 O ATOM 543 CB CYS A 37 -6.526 0.808 -1.697 1.00 0.00 C ATOM 544 SG CYS A 37 -8.332 0.525 -1.617 1.00 0.00 S ATOM 0 H CYS A 37 -5.808 0.484 -4.065 1.00 0.00 H new ATOM 0 HA CYS A 37 -7.154 2.521 -2.751 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -6.023 -0.096 -2.041 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -6.140 1.029 -0.702 1.00 0.00 H new ATOM 0 HG CYS A 37 -8.581 -0.464 -0.811 1.00 0.00 H new ATOM 550 N LEU A 38 -3.897 2.481 -2.259 1.00 0.00 N ATOM 551 CA LEU A 38 -2.771 3.262 -1.776 1.00 0.00 C ATOM 552 C LEU A 38 -2.628 4.525 -2.628 1.00 0.00 C ATOM 553 O LEU A 38 -2.343 5.602 -2.106 1.00 0.00 O ATOM 554 CB LEU A 38 -1.504 2.405 -1.730 1.00 0.00 C ATOM 555 CG LEU A 38 -1.720 0.896 -1.599 1.00 0.00 C ATOM 556 CD1 LEU A 38 -0.415 0.185 -1.236 1.00 0.00 C ATOM 557 CD2 LEU A 38 -2.838 0.586 -0.602 1.00 0.00 C ATOM 0 H LEU A 38 -3.643 1.613 -2.730 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.946 3.587 -0.750 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.929 2.592 -2.637 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.894 2.739 -0.891 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.038 0.511 -2.568 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.596 -0.886 -1.149 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.326 0.365 -2.014 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.044 0.569 -0.286 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.971 -0.493 -0.528 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.574 0.987 0.377 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.767 1.043 -0.943 1.00 0.00 H new ATOM 569 N ALA A 39 -2.833 4.351 -3.926 1.00 0.00 N ATOM 570 CA ALA A 39 -2.731 5.463 -4.855 1.00 0.00 C ATOM 571 C ALA A 39 -3.632 6.604 -4.379 1.00 0.00 C ATOM 572 O ALA A 39 -3.234 7.768 -4.410 1.00 0.00 O ATOM 573 CB ALA A 39 -3.089 4.986 -6.264 1.00 0.00 C ATOM 0 H ALA A 39 -3.069 3.457 -4.356 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.710 5.842 -4.889 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.012 5.820 -6.961 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.401 4.196 -6.566 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.109 4.601 -6.270 1.00 0.00 H new ATOM 579 N GLY A 40 -4.828 6.231 -3.950 1.00 0.00 N ATOM 580 CA GLY A 40 -5.789 7.209 -3.468 1.00 0.00 C ATOM 581 C GLY A 40 -5.352 7.790 -2.122 1.00 0.00 C ATOM 582 O GLY A 40 -5.127 8.993 -2.004 1.00 0.00 O ATOM 0 H GLY A 40 -5.154 5.265 -3.926 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.893 8.012 -4.198 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.768 6.742 -3.366 1.00 0.00 H new ATOM 768 N ASP A 52 3.880 12.175 -5.315 1.00 0.00 N ATOM 769 CA ASP A 52 3.559 11.968 -6.717 1.00 0.00 C ATOM 770 C ASP A 52 3.720 10.485 -7.059 1.00 0.00 C ATOM 771 O ASP A 52 2.735 9.752 -7.138 1.00 0.00 O ATOM 772 CB ASP A 52 4.500 12.767 -7.621 1.00 0.00 C ATOM 773 CG ASP A 52 3.875 14.000 -8.276 1.00 0.00 C ATOM 774 OD1 ASP A 52 3.085 13.888 -9.224 1.00 0.00 O ATOM 775 OD2 ASP A 52 4.235 15.129 -7.766 1.00 0.00 O ATOM 0 HA ASP A 52 2.534 12.300 -6.881 1.00 0.00 H new ATOM 0 HB2 ASP A 52 5.362 13.084 -7.034 1.00 0.00 H new ATOM 0 HB3 ASP A 52 4.873 12.108 -8.405 1.00 0.00 H new ATOM 780 N VAL A 53 4.969 10.088 -7.252 1.00 0.00 N ATOM 781 CA VAL A 53 5.271 8.706 -7.584 1.00 0.00 C ATOM 782 C VAL A 53 5.834 8.001 -6.348 1.00 0.00 C ATOM 783 O VAL A 53 5.975 6.779 -6.337 1.00 0.00 O ATOM 784 CB VAL A 53 6.217 8.651 -8.786 1.00 0.00 C ATOM 785 CG1 VAL A 53 6.548 7.204 -9.157 1.00 0.00 C ATOM 786 CG2 VAL A 53 5.629 9.404 -9.981 1.00 0.00 C ATOM 0 H VAL A 53 5.783 10.699 -7.185 1.00 0.00 H new ATOM 0 HA VAL A 53 4.364 8.176 -7.876 1.00 0.00 H new ATOM 0 HB VAL A 53 7.147 9.145 -8.504 1.00 0.00 H new ATOM 0 HG11 VAL A 53 7.222 7.193 -10.014 1.00 0.00 H new ATOM 0 HG12 VAL A 53 7.029 6.712 -8.311 1.00 0.00 H new ATOM 0 HG13 VAL A 53 5.630 6.674 -9.411 1.00 0.00 H new ATOM 0 HG21 VAL A 53 6.321 9.350 -10.822 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.678 8.952 -10.264 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.468 10.448 -9.710 1.00 0.00 H new ATOM 796 N LYS A 54 6.140 8.801 -5.337 1.00 0.00 N ATOM 797 CA LYS A 54 6.683 8.269 -4.100 1.00 0.00 C ATOM 798 C LYS A 54 5.802 7.116 -3.614 1.00 0.00 C ATOM 799 O LYS A 54 6.305 6.050 -3.264 1.00 0.00 O ATOM 800 CB LYS A 54 6.860 9.385 -3.068 1.00 0.00 C ATOM 801 CG LYS A 54 8.323 9.821 -2.977 1.00 0.00 C ATOM 802 CD LYS A 54 8.580 11.061 -3.836 1.00 0.00 C ATOM 803 CE LYS A 54 10.007 11.578 -3.639 1.00 0.00 C ATOM 804 NZ LYS A 54 10.005 13.047 -3.460 1.00 0.00 N ATOM 0 H LYS A 54 6.022 9.814 -5.350 1.00 0.00 H new ATOM 0 HA LYS A 54 7.679 7.860 -4.267 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.239 10.238 -3.340 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.518 9.040 -2.092 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.579 10.034 -1.939 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.970 9.007 -3.304 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.418 10.820 -4.887 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.867 11.843 -3.575 1.00 0.00 H new ATOM 0 HE2 LYS A 54 10.456 11.100 -2.769 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.619 11.311 -4.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.981 13.382 -3.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.595 13.499 -4.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.438 13.294 -2.624 1.00 0.00 H new ATOM 818 N VAL A 55 4.501 7.369 -3.610 1.00 0.00 N ATOM 819 CA VAL A 55 3.545 6.366 -3.173 1.00 0.00 C ATOM 820 C VAL A 55 3.597 5.170 -4.125 1.00 0.00 C ATOM 821 O VAL A 55 3.342 4.037 -3.719 1.00 0.00 O ATOM 822 CB VAL A 55 2.150 6.985 -3.065 1.00 0.00 C ATOM 823 CG1 VAL A 55 1.708 7.578 -4.405 1.00 0.00 C ATOM 824 CG2 VAL A 55 1.133 5.961 -2.557 1.00 0.00 C ATOM 0 H VAL A 55 4.087 8.254 -3.902 1.00 0.00 H new ATOM 0 HA VAL A 55 3.801 6.001 -2.178 1.00 0.00 H new ATOM 0 HB VAL A 55 2.199 7.797 -2.339 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.713 8.011 -4.301 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.411 8.353 -4.710 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.684 6.792 -5.160 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.150 6.427 -2.490 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.089 5.119 -3.248 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.435 5.607 -1.571 1.00 0.00 H new ATOM 834 N SER A 56 3.928 5.463 -5.375 1.00 0.00 N ATOM 835 CA SER A 56 4.016 4.425 -6.388 1.00 0.00 C ATOM 836 C SER A 56 5.095 3.410 -6.005 1.00 0.00 C ATOM 837 O SER A 56 4.815 2.219 -5.880 1.00 0.00 O ATOM 838 CB SER A 56 4.314 5.024 -7.764 1.00 0.00 C ATOM 839 OG SER A 56 3.546 4.406 -8.793 1.00 0.00 O ATOM 0 H SER A 56 4.138 6.404 -5.709 1.00 0.00 H new ATOM 0 HA SER A 56 3.053 3.917 -6.443 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.104 6.093 -7.747 1.00 0.00 H new ATOM 0 HB3 SER A 56 5.375 4.911 -7.986 1.00 0.00 H new ATOM 0 HG SER A 56 3.875 4.700 -9.668 1.00 0.00 H new ATOM 845 N LEU A 57 6.305 3.919 -5.830 1.00 0.00 N ATOM 846 CA LEU A 57 7.428 3.072 -5.465 1.00 0.00 C ATOM 847 C LEU A 57 7.143 2.411 -4.115 1.00 0.00 C ATOM 848 O LEU A 57 7.141 1.185 -4.008 1.00 0.00 O ATOM 849 CB LEU A 57 8.733 3.869 -5.496 1.00 0.00 C ATOM 850 CG LEU A 57 10.014 3.068 -5.255 1.00 0.00 C ATOM 851 CD1 LEU A 57 11.193 3.677 -6.017 1.00 0.00 C ATOM 852 CD2 LEU A 57 10.306 2.935 -3.759 1.00 0.00 C ATOM 0 H LEU A 57 6.533 4.908 -5.934 1.00 0.00 H new ATOM 0 HA LEU A 57 7.554 2.271 -6.193 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.812 4.360 -6.466 1.00 0.00 H new ATOM 0 HB3 LEU A 57 8.673 4.656 -4.744 1.00 0.00 H new ATOM 0 HG LEU A 57 9.864 2.061 -5.644 1.00 0.00 H new ATOM 0 HD11 LEU A 57 12.091 3.089 -5.828 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.976 3.675 -7.085 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.353 4.701 -5.681 1.00 0.00 H new ATOM 0 HD21 LEU A 57 11.222 2.361 -3.617 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.427 3.926 -3.322 1.00 0.00 H new ATOM 0 HD23 LEU A 57 9.477 2.422 -3.271 1.00 0.00 H new ATOM 864 N PHE A 58 6.910 3.251 -3.117 1.00 0.00 N ATOM 865 CA PHE A 58 6.625 2.764 -1.779 1.00 0.00 C ATOM 866 C PHE A 58 5.514 1.712 -1.803 1.00 0.00 C ATOM 867 O PHE A 58 5.484 0.815 -0.962 1.00 0.00 O ATOM 868 CB PHE A 58 6.155 3.965 -0.956 1.00 0.00 C ATOM 869 CG PHE A 58 7.275 4.670 -0.189 1.00 0.00 C ATOM 870 CD1 PHE A 58 8.174 5.442 -0.857 1.00 0.00 C ATOM 871 CD2 PHE A 58 7.373 4.525 1.160 1.00 0.00 C ATOM 872 CE1 PHE A 58 9.214 6.097 -0.145 1.00 0.00 C ATOM 873 CE2 PHE A 58 8.412 5.180 1.871 1.00 0.00 C ATOM 874 CZ PHE A 58 9.311 5.952 1.204 1.00 0.00 C ATOM 0 H PHE A 58 6.913 4.267 -3.209 1.00 0.00 H new ATOM 0 HA PHE A 58 7.516 2.303 -1.354 1.00 0.00 H new ATOM 0 HB2 PHE A 58 5.676 4.683 -1.621 1.00 0.00 H new ATOM 0 HB3 PHE A 58 5.397 3.632 -0.247 1.00 0.00 H new ATOM 0 HD1 PHE A 58 8.097 5.557 -1.928 1.00 0.00 H new ATOM 0 HD2 PHE A 58 6.660 3.911 1.690 1.00 0.00 H new ATOM 0 HE1 PHE A 58 9.928 6.710 -0.675 1.00 0.00 H new ATOM 0 HE2 PHE A 58 8.489 5.065 2.942 1.00 0.00 H new ATOM 0 HZ PHE A 58 10.102 6.450 1.745 1.00 0.00 H new ATOM 884 N THR A 59 4.627 1.856 -2.778 1.00 0.00 N ATOM 885 CA THR A 59 3.518 0.930 -2.923 1.00 0.00 C ATOM 886 C THR A 59 4.019 -0.431 -3.410 1.00 0.00 C ATOM 887 O THR A 59 3.724 -1.459 -2.802 1.00 0.00 O ATOM 888 CB THR A 59 2.488 1.568 -3.858 1.00 0.00 C ATOM 889 OG1 THR A 59 1.722 2.414 -3.006 1.00 0.00 O ATOM 890 CG2 THR A 59 1.472 0.554 -4.389 1.00 0.00 C ATOM 0 H THR A 59 4.655 2.600 -3.475 1.00 0.00 H new ATOM 0 HA THR A 59 3.035 0.739 -1.965 1.00 0.00 H new ATOM 0 HB THR A 59 3.002 2.040 -4.696 1.00 0.00 H new ATOM 0 HG1 THR A 59 2.192 3.265 -2.882 1.00 0.00 H new ATOM 0 HG21 THR A 59 0.764 1.058 -5.047 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.993 -0.226 -4.945 1.00 0.00 H new ATOM 0 HG23 THR A 59 0.934 0.106 -3.553 1.00 0.00 H new ATOM 898 N ALA A 60 4.770 -0.394 -4.501 1.00 0.00 N ATOM 899 CA ALA A 60 5.315 -1.612 -5.076 1.00 0.00 C ATOM 900 C ALA A 60 6.146 -2.342 -4.019 1.00 0.00 C ATOM 901 O ALA A 60 6.027 -3.556 -3.861 1.00 0.00 O ATOM 902 CB ALA A 60 6.132 -1.266 -6.323 1.00 0.00 C ATOM 0 H ALA A 60 5.014 0.460 -5.002 1.00 0.00 H new ATOM 0 HA ALA A 60 4.514 -2.282 -5.386 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.541 -2.179 -6.755 1.00 0.00 H new ATOM 0 HB2 ALA A 60 5.490 -0.775 -7.054 1.00 0.00 H new ATOM 0 HB3 ALA A 60 6.948 -0.597 -6.049 1.00 0.00 H new ATOM 908 N PHE A 61 6.969 -1.572 -3.323 1.00 0.00 N ATOM 909 CA PHE A 61 7.819 -2.130 -2.286 1.00 0.00 C ATOM 910 C PHE A 61 6.988 -2.609 -1.094 1.00 0.00 C ATOM 911 O PHE A 61 7.359 -3.567 -0.418 1.00 0.00 O ATOM 912 CB PHE A 61 8.755 -1.011 -1.823 1.00 0.00 C ATOM 913 CG PHE A 61 10.178 -1.122 -2.374 1.00 0.00 C ATOM 914 CD1 PHE A 61 10.454 -0.693 -3.635 1.00 0.00 C ATOM 915 CD2 PHE A 61 11.166 -1.650 -1.603 1.00 0.00 C ATOM 916 CE1 PHE A 61 11.775 -0.796 -4.146 1.00 0.00 C ATOM 917 CE2 PHE A 61 12.487 -1.753 -2.115 1.00 0.00 C ATOM 918 CZ PHE A 61 12.763 -1.323 -3.376 1.00 0.00 C ATOM 0 H PHE A 61 7.065 -0.565 -3.457 1.00 0.00 H new ATOM 0 HA PHE A 61 8.370 -2.985 -2.678 1.00 0.00 H new ATOM 0 HB2 PHE A 61 8.334 -0.052 -2.123 1.00 0.00 H new ATOM 0 HB3 PHE A 61 8.797 -1.014 -0.734 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.669 -0.274 -4.247 1.00 0.00 H new ATOM 0 HD2 PHE A 61 10.946 -1.991 -0.602 1.00 0.00 H new ATOM 0 HE1 PHE A 61 11.995 -0.455 -5.147 1.00 0.00 H new ATOM 0 HE2 PHE A 61 13.272 -2.173 -1.503 1.00 0.00 H new ATOM 0 HZ PHE A 61 13.767 -1.401 -3.765 1.00 0.00 H new ATOM 928 N PHE A 62 5.878 -1.919 -0.872 1.00 0.00 N ATOM 929 CA PHE A 62 4.991 -2.262 0.226 1.00 0.00 C ATOM 930 C PHE A 62 4.240 -3.563 -0.061 1.00 0.00 C ATOM 931 O PHE A 62 4.456 -4.571 0.611 1.00 0.00 O ATOM 932 CB PHE A 62 3.980 -1.121 0.357 1.00 0.00 C ATOM 933 CG PHE A 62 2.819 -1.424 1.307 1.00 0.00 C ATOM 934 CD1 PHE A 62 2.928 -1.127 2.629 1.00 0.00 C ATOM 935 CD2 PHE A 62 1.679 -1.990 0.828 1.00 0.00 C ATOM 936 CE1 PHE A 62 1.851 -1.409 3.511 1.00 0.00 C ATOM 937 CE2 PHE A 62 0.602 -2.272 1.710 1.00 0.00 C ATOM 938 CZ PHE A 62 0.711 -1.975 3.033 1.00 0.00 C ATOM 0 H PHE A 62 5.573 -1.124 -1.434 1.00 0.00 H new ATOM 0 HA PHE A 62 5.568 -2.402 1.140 1.00 0.00 H new ATOM 0 HB2 PHE A 62 4.498 -0.228 0.707 1.00 0.00 H new ATOM 0 HB3 PHE A 62 3.578 -0.890 -0.630 1.00 0.00 H new ATOM 0 HD1 PHE A 62 3.833 -0.677 3.009 1.00 0.00 H new ATOM 0 HD2 PHE A 62 1.593 -2.225 -0.223 1.00 0.00 H new ATOM 0 HE1 PHE A 62 1.938 -1.174 4.562 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -0.303 -2.722 1.330 1.00 0.00 H new ATOM 0 HZ PHE A 62 -0.108 -2.189 3.704 1.00 0.00 H new ATOM 948 N LEU A 63 3.372 -3.500 -1.061 1.00 0.00 N ATOM 949 CA LEU A 63 2.588 -4.661 -1.446 1.00 0.00 C ATOM 950 C LEU A 63 3.525 -5.846 -1.689 1.00 0.00 C ATOM 951 O LEU A 63 3.178 -6.988 -1.390 1.00 0.00 O ATOM 952 CB LEU A 63 1.691 -4.330 -2.640 1.00 0.00 C ATOM 953 CG LEU A 63 0.321 -5.011 -2.660 1.00 0.00 C ATOM 954 CD1 LEU A 63 -0.488 -4.649 -1.413 1.00 0.00 C ATOM 955 CD2 LEU A 63 -0.435 -4.684 -3.949 1.00 0.00 C ATOM 0 H LEU A 63 3.195 -2.663 -1.616 1.00 0.00 H new ATOM 0 HA LEU A 63 1.912 -4.949 -0.640 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.539 -3.251 -2.666 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.222 -4.599 -3.553 1.00 0.00 H new ATOM 0 HG LEU A 63 0.475 -6.090 -2.643 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.458 -5.146 -1.451 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.051 -4.973 -0.523 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.635 -3.570 -1.375 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.405 -5.180 -3.938 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.580 -3.606 -4.023 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.141 -5.032 -4.807 1.00 0.00 H new ATOM 967 N ALA A 64 4.693 -5.534 -2.230 1.00 0.00 N ATOM 968 CA ALA A 64 5.682 -6.559 -2.518 1.00 0.00 C ATOM 969 C ALA A 64 6.081 -7.256 -1.215 1.00 0.00 C ATOM 970 O ALA A 64 5.815 -8.444 -1.036 1.00 0.00 O ATOM 971 CB ALA A 64 6.879 -5.928 -3.231 1.00 0.00 C ATOM 0 H ALA A 64 4.977 -4.586 -2.477 1.00 0.00 H new ATOM 0 HA ALA A 64 5.268 -7.316 -3.184 1.00 0.00 H new ATOM 0 HB1 ALA A 64 7.621 -6.697 -3.447 1.00 0.00 H new ATOM 0 HB2 ALA A 64 6.548 -5.471 -4.164 1.00 0.00 H new ATOM 0 HB3 ALA A 64 7.323 -5.165 -2.591 1.00 0.00 H new ATOM 977 N THR A 65 6.713 -6.488 -0.340 1.00 0.00 N ATOM 978 CA THR A 65 7.151 -7.018 0.941 1.00 0.00 C ATOM 979 C THR A 65 5.995 -7.727 1.648 1.00 0.00 C ATOM 980 O THR A 65 6.095 -8.908 1.979 1.00 0.00 O ATOM 981 CB THR A 65 7.743 -5.863 1.752 1.00 0.00 C ATOM 982 OG1 THR A 65 9.030 -5.658 1.175 1.00 0.00 O ATOM 983 CG2 THR A 65 8.042 -6.258 3.199 1.00 0.00 C ATOM 0 H THR A 65 6.932 -5.504 -0.492 1.00 0.00 H new ATOM 0 HA THR A 65 7.925 -7.775 0.813 1.00 0.00 H new ATOM 0 HB THR A 65 7.052 -5.020 1.741 1.00 0.00 H new ATOM 0 HG1 THR A 65 8.978 -4.946 0.504 1.00 0.00 H new ATOM 0 HG21 THR A 65 8.460 -5.403 3.731 1.00 0.00 H new ATOM 0 HG22 THR A 65 7.120 -6.574 3.688 1.00 0.00 H new ATOM 0 HG23 THR A 65 8.759 -7.079 3.211 1.00 0.00 H new ATOM 991 N ILE A 66 4.923 -6.978 1.859 1.00 0.00 N ATOM 992 CA ILE A 66 3.749 -7.520 2.521 1.00 0.00 C ATOM 993 C ILE A 66 3.401 -8.876 1.904 1.00 0.00 C ATOM 994 O ILE A 66 3.391 -9.893 2.596 1.00 0.00 O ATOM 995 CB ILE A 66 2.598 -6.513 2.481 1.00 0.00 C ATOM 996 CG1 ILE A 66 2.923 -5.274 3.318 1.00 0.00 C ATOM 997 CG2 ILE A 66 1.283 -7.166 2.912 1.00 0.00 C ATOM 998 CD1 ILE A 66 3.294 -5.662 4.751 1.00 0.00 C ATOM 0 H ILE A 66 4.843 -5.999 1.583 1.00 0.00 H new ATOM 0 HA ILE A 66 3.954 -7.693 3.577 1.00 0.00 H new ATOM 0 HB ILE A 66 2.471 -6.181 1.451 1.00 0.00 H new ATOM 0 HG12 ILE A 66 3.748 -4.728 2.860 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.064 -4.603 3.330 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.481 -6.429 2.875 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.049 -7.991 2.239 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.381 -7.544 3.930 1.00 0.00 H new ATOM 0 HD11 ILE A 66 3.520 -4.763 5.324 1.00 0.00 H new ATOM 0 HD12 ILE A 66 2.458 -6.187 5.214 1.00 0.00 H new ATOM 0 HD13 ILE A 66 4.168 -6.313 4.737 1.00 0.00 H new ATOM 1010 N MET A 67 3.125 -8.847 0.609 1.00 0.00 N ATOM 1011 CA MET A 67 2.778 -10.062 -0.110 1.00 0.00 C ATOM 1012 C MET A 67 3.697 -11.217 0.291 1.00 0.00 C ATOM 1013 O MET A 67 3.250 -12.189 0.898 1.00 0.00 O ATOM 1014 CB MET A 67 2.894 -9.815 -1.615 1.00 0.00 C ATOM 1015 CG MET A 67 1.567 -9.317 -2.193 1.00 0.00 C ATOM 1016 SD MET A 67 1.396 -9.858 -3.885 1.00 0.00 S ATOM 1017 CE MET A 67 1.202 -8.280 -4.697 1.00 0.00 C ATOM 0 H MET A 67 3.134 -8.002 0.038 1.00 0.00 H new ATOM 0 HA MET A 67 1.753 -10.333 0.144 1.00 0.00 H new ATOM 0 HB2 MET A 67 3.677 -9.081 -1.807 1.00 0.00 H new ATOM 0 HB3 MET A 67 3.190 -10.736 -2.117 1.00 0.00 H new ATOM 0 HG2 MET A 67 0.737 -9.695 -1.596 1.00 0.00 H new ATOM 0 HG3 MET A 67 1.525 -8.229 -2.145 1.00 0.00 H new ATOM 0 HE1 MET A 67 1.650 -8.324 -5.690 1.00 0.00 H new ATOM 0 HE2 MET A 67 0.141 -8.045 -4.787 1.00 0.00 H new ATOM 0 HE3 MET A 67 1.696 -7.506 -4.110 1.00 0.00 H new ATOM 1027 N GLY A 68 4.965 -11.073 -0.066 1.00 0.00 N ATOM 1028 CA GLY A 68 5.951 -12.093 0.249 1.00 0.00 C ATOM 1029 C GLY A 68 5.587 -13.428 -0.404 1.00 0.00 C ATOM 1030 O GLY A 68 6.118 -14.472 -0.028 1.00 0.00 O ATOM 0 H GLY A 68 5.332 -10.266 -0.570 1.00 0.00 H new ATOM 0 HA2 GLY A 68 6.934 -11.772 -0.095 1.00 0.00 H new ATOM 0 HA3 GLY A 68 6.017 -12.219 1.330 1.00 0.00 H new ATOM 1245 N ALA A 80 2.828 -9.132 -10.561 1.00 0.00 N ATOM 1246 CA ALA A 80 2.487 -8.595 -11.868 1.00 0.00 C ATOM 1247 C ALA A 80 1.455 -7.478 -11.702 1.00 0.00 C ATOM 1248 O ALA A 80 1.679 -6.351 -12.139 1.00 0.00 O ATOM 1249 CB ALA A 80 1.984 -9.725 -12.769 1.00 0.00 C ATOM 0 HA ALA A 80 3.366 -8.163 -12.347 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.728 -9.322 -13.749 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.765 -10.478 -12.878 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.100 -10.181 -12.322 1.00 0.00 H new ATOM 1255 N GLY A 81 0.345 -7.831 -11.069 1.00 0.00 N ATOM 1256 CA GLY A 81 -0.722 -6.872 -10.840 1.00 0.00 C ATOM 1257 C GLY A 81 -0.228 -5.691 -10.003 1.00 0.00 C ATOM 1258 O GLY A 81 -0.592 -4.545 -10.264 1.00 0.00 O ATOM 0 H GLY A 81 0.162 -8.767 -10.708 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -1.102 -6.511 -11.796 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.552 -7.361 -10.331 1.00 0.00 H new ATOM 1262 N LEU A 82 0.593 -6.010 -9.013 1.00 0.00 N ATOM 1263 CA LEU A 82 1.141 -4.989 -8.136 1.00 0.00 C ATOM 1264 C LEU A 82 1.888 -3.950 -8.975 1.00 0.00 C ATOM 1265 O LEU A 82 1.378 -2.856 -9.212 1.00 0.00 O ATOM 1266 CB LEU A 82 1.999 -5.627 -7.042 1.00 0.00 C ATOM 1267 CG LEU A 82 2.992 -4.698 -6.340 1.00 0.00 C ATOM 1268 CD1 LEU A 82 2.276 -3.490 -5.733 1.00 0.00 C ATOM 1269 CD2 LEU A 82 3.815 -5.460 -5.300 1.00 0.00 C ATOM 0 H LEU A 82 0.892 -6.961 -8.799 1.00 0.00 H new ATOM 0 HA LEU A 82 0.340 -4.464 -7.616 1.00 0.00 H new ATOM 0 HB2 LEU A 82 1.335 -6.052 -6.289 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.555 -6.455 -7.481 1.00 0.00 H new ATOM 0 HG LEU A 82 3.690 -4.317 -7.085 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.004 -2.846 -5.240 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.772 -2.931 -6.522 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.541 -3.831 -5.004 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.513 -4.776 -4.816 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.149 -5.888 -4.551 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.371 -6.259 -5.790 1.00 0.00 H new ATOM 1281 N VAL A 83 3.084 -4.328 -9.401 1.00 0.00 N ATOM 1282 CA VAL A 83 3.906 -3.443 -10.208 1.00 0.00 C ATOM 1283 C VAL A 83 3.053 -2.842 -11.327 1.00 0.00 C ATOM 1284 O VAL A 83 3.080 -1.633 -11.553 1.00 0.00 O ATOM 1285 CB VAL A 83 5.131 -4.196 -10.729 1.00 0.00 C ATOM 1286 CG1 VAL A 83 5.735 -3.488 -11.943 1.00 0.00 C ATOM 1287 CG2 VAL A 83 6.175 -4.375 -9.624 1.00 0.00 C ATOM 0 H VAL A 83 3.504 -5.236 -9.202 1.00 0.00 H new ATOM 0 HA VAL A 83 4.282 -2.616 -9.606 1.00 0.00 H new ATOM 0 HB VAL A 83 4.805 -5.186 -11.047 1.00 0.00 H new ATOM 0 HG11 VAL A 83 6.604 -4.044 -12.293 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.993 -3.435 -12.740 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.039 -2.479 -11.662 1.00 0.00 H new ATOM 0 HG21 VAL A 83 7.036 -4.913 -10.021 1.00 0.00 H new ATOM 0 HG22 VAL A 83 6.493 -3.397 -9.262 1.00 0.00 H new ATOM 0 HG23 VAL A 83 5.740 -4.942 -8.801 1.00 0.00 H new ATOM 1297 N ALA A 84 2.316 -3.714 -11.999 1.00 0.00 N ATOM 1298 CA ALA A 84 1.457 -3.285 -13.090 1.00 0.00 C ATOM 1299 C ALA A 84 0.556 -2.146 -12.606 1.00 0.00 C ATOM 1300 O ALA A 84 0.190 -1.267 -13.384 1.00 0.00 O ATOM 1301 CB ALA A 84 0.656 -4.481 -13.610 1.00 0.00 C ATOM 0 H ALA A 84 2.296 -4.716 -11.809 1.00 0.00 H new ATOM 0 HA ALA A 84 2.052 -2.905 -13.921 1.00 0.00 H new ATOM 0 HB1 ALA A 84 0.012 -4.159 -14.428 1.00 0.00 H new ATOM 0 HB2 ALA A 84 1.341 -5.250 -13.968 1.00 0.00 H new ATOM 0 HB3 ALA A 84 0.044 -4.887 -12.804 1.00 0.00 H new ATOM 1307 N GLY A 85 0.226 -2.200 -11.324 1.00 0.00 N ATOM 1308 CA GLY A 85 -0.624 -1.184 -10.728 1.00 0.00 C ATOM 1309 C GLY A 85 0.148 0.119 -10.510 1.00 0.00 C ATOM 1310 O GLY A 85 -0.298 1.187 -10.927 1.00 0.00 O ATOM 0 H GLY A 85 0.532 -2.931 -10.682 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.482 -0.998 -11.374 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -1.013 -1.544 -9.776 1.00 0.00 H new ATOM 1314 N LEU A 86 1.293 -0.012 -9.857 1.00 0.00 N ATOM 1315 CA LEU A 86 2.132 1.142 -9.578 1.00 0.00 C ATOM 1316 C LEU A 86 2.339 1.939 -10.867 1.00 0.00 C ATOM 1317 O LEU A 86 2.348 3.169 -10.846 1.00 0.00 O ATOM 1318 CB LEU A 86 3.437 0.706 -8.908 1.00 0.00 C ATOM 1319 CG LEU A 86 4.631 0.492 -9.840 1.00 0.00 C ATOM 1320 CD1 LEU A 86 5.373 1.806 -10.092 1.00 0.00 C ATOM 1321 CD2 LEU A 86 5.560 -0.597 -9.299 1.00 0.00 C ATOM 0 H LEU A 86 1.660 -0.899 -9.513 1.00 0.00 H new ATOM 0 HA LEU A 86 1.642 1.807 -8.867 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.710 1.457 -8.167 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.252 -0.223 -8.368 1.00 0.00 H new ATOM 0 HG LEU A 86 4.255 0.146 -10.803 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.217 1.625 -10.758 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.695 2.524 -10.553 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.736 2.206 -9.145 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.401 -0.730 -9.980 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.931 -0.304 -8.317 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.011 -1.535 -9.214 1.00 0.00 H new ATOM 1333 N SER A 87 2.501 1.206 -11.959 1.00 0.00 N ATOM 1334 CA SER A 87 2.708 1.830 -13.255 1.00 0.00 C ATOM 1335 C SER A 87 1.417 2.505 -13.723 1.00 0.00 C ATOM 1336 O SER A 87 1.396 3.711 -13.965 1.00 0.00 O ATOM 1337 CB SER A 87 3.176 0.806 -14.291 1.00 0.00 C ATOM 1338 OG SER A 87 4.589 0.836 -14.470 1.00 0.00 O ATOM 0 H SER A 87 2.493 0.186 -11.973 1.00 0.00 H new ATOM 0 HA SER A 87 3.488 2.584 -13.150 1.00 0.00 H new ATOM 0 HB2 SER A 87 2.871 -0.192 -13.977 1.00 0.00 H new ATOM 0 HB3 SER A 87 2.685 1.004 -15.244 1.00 0.00 H new ATOM 0 HG SER A 87 4.848 0.167 -15.138 1.00 0.00 H new ATOM 1344 N LEU A 88 0.372 1.699 -13.836 1.00 0.00 N ATOM 1345 CA LEU A 88 -0.920 2.203 -14.270 1.00 0.00 C ATOM 1346 C LEU A 88 -1.255 3.474 -13.487 1.00 0.00 C ATOM 1347 O LEU A 88 -2.025 4.311 -13.956 1.00 0.00 O ATOM 1348 CB LEU A 88 -1.986 1.112 -14.157 1.00 0.00 C ATOM 1349 CG LEU A 88 -2.779 0.816 -15.432 1.00 0.00 C ATOM 1350 CD1 LEU A 88 -3.309 -0.619 -15.426 1.00 0.00 C ATOM 1351 CD2 LEU A 88 -3.899 1.839 -15.631 1.00 0.00 C ATOM 0 H LEU A 88 0.394 0.699 -13.634 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.888 2.477 -15.325 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.502 0.191 -13.831 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.688 1.397 -13.374 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.104 0.907 -16.283 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.869 -0.804 -16.343 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.473 -1.315 -15.365 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.964 -0.762 -14.566 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -4.447 1.606 -16.544 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.580 1.804 -14.780 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.470 2.838 -15.711 1.00 0.00 H new ATOM 1363 N MET A 89 -0.660 3.579 -12.308 1.00 0.00 N ATOM 1364 CA MET A 89 -0.886 4.734 -11.455 1.00 0.00 C ATOM 1365 C MET A 89 -0.062 5.934 -11.928 1.00 0.00 C ATOM 1366 O MET A 89 -0.618 6.970 -12.289 1.00 0.00 O ATOM 1367 CB MET A 89 -0.506 4.388 -10.015 1.00 0.00 C ATOM 1368 CG MET A 89 -1.230 5.300 -9.022 1.00 0.00 C ATOM 1369 SD MET A 89 -0.053 6.046 -7.907 1.00 0.00 S ATOM 1370 CE MET A 89 0.568 7.359 -8.945 1.00 0.00 C ATOM 0 H MET A 89 -0.021 2.883 -11.923 1.00 0.00 H new ATOM 0 HA MET A 89 -1.942 4.999 -11.506 1.00 0.00 H new ATOM 0 HB2 MET A 89 -0.758 3.348 -9.809 1.00 0.00 H new ATOM 0 HB3 MET A 89 0.572 4.487 -9.886 1.00 0.00 H new ATOM 0 HG2 MET A 89 -1.776 6.075 -9.559 1.00 0.00 H new ATOM 0 HG3 MET A 89 -1.965 4.726 -8.457 1.00 0.00 H new ATOM 0 HE1 MET A 89 0.836 8.216 -8.327 1.00 0.00 H new ATOM 0 HE2 MET A 89 1.449 7.011 -9.484 1.00 0.00 H new ATOM 0 HE3 MET A 89 -0.201 7.653 -9.659 1.00 0.00 H new ATOM 1380 N MET A 90 1.251 5.753 -11.910 1.00 0.00 N ATOM 1381 CA MET A 90 2.157 6.807 -12.331 1.00 0.00 C ATOM 1382 C MET A 90 1.720 7.402 -13.672 1.00 0.00 C ATOM 1383 O MET A 90 2.007 8.562 -13.963 1.00 0.00 O ATOM 1384 CB MET A 90 3.573 6.242 -12.460 1.00 0.00 C ATOM 1385 CG MET A 90 3.804 5.656 -13.855 1.00 0.00 C ATOM 1386 SD MET A 90 4.471 6.907 -14.940 1.00 0.00 S ATOM 1387 CE MET A 90 6.183 6.876 -14.432 1.00 0.00 C ATOM 0 H MET A 90 1.708 4.892 -11.610 1.00 0.00 H new ATOM 0 HA MET A 90 2.139 7.597 -11.581 1.00 0.00 H new ATOM 0 HB2 MET A 90 4.302 7.029 -12.267 1.00 0.00 H new ATOM 0 HB3 MET A 90 3.731 5.470 -11.707 1.00 0.00 H new ATOM 0 HG2 MET A 90 4.491 4.812 -13.795 1.00 0.00 H new ATOM 0 HG3 MET A 90 2.866 5.276 -14.259 1.00 0.00 H new ATOM 0 HE1 MET A 90 6.586 7.888 -14.450 1.00 0.00 H new ATOM 0 HE2 MET A 90 6.255 6.475 -13.421 1.00 0.00 H new ATOM 0 HE3 MET A 90 6.754 6.246 -15.114 1.00 0.00 H new ATOM 1397 N ILE A 91 1.034 6.580 -14.452 1.00 0.00 N ATOM 1398 CA ILE A 91 0.554 7.011 -15.754 1.00 0.00 C ATOM 1399 C ILE A 91 -0.817 7.671 -15.596 1.00 0.00 C ATOM 1400 O ILE A 91 -1.096 8.690 -16.226 1.00 0.00 O ATOM 1401 CB ILE A 91 0.564 5.842 -16.742 1.00 0.00 C ATOM 1402 CG1 ILE A 91 0.648 6.344 -18.185 1.00 0.00 C ATOM 1403 CG2 ILE A 91 -0.644 4.929 -16.522 1.00 0.00 C ATOM 1404 CD1 ILE A 91 2.077 6.236 -18.720 1.00 0.00 C ATOM 0 H ILE A 91 0.799 5.618 -14.208 1.00 0.00 H new ATOM 0 HA ILE A 91 1.222 7.762 -16.176 1.00 0.00 H new ATOM 0 HB ILE A 91 1.457 5.245 -16.557 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.025 5.763 -18.816 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.315 7.381 -18.233 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -0.613 4.106 -17.237 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -0.619 4.530 -15.508 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.562 5.499 -16.665 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.109 6.599 -19.747 1.00 0.00 H new ATOM 0 HD12 ILE A 91 2.743 6.837 -18.101 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.398 5.195 -18.693 1.00 0.00 H new ATOM 1416 N LEU A 92 -1.637 7.063 -14.751 1.00 0.00 N ATOM 1417 CA LEU A 92 -2.972 7.579 -14.502 1.00 0.00 C ATOM 1418 C LEU A 92 -2.870 9.009 -13.967 1.00 0.00 C ATOM 1419 O LEU A 92 -3.817 9.786 -14.077 1.00 0.00 O ATOM 1420 CB LEU A 92 -3.749 6.633 -13.585 1.00 0.00 C ATOM 1421 CG LEU A 92 -4.690 7.297 -12.578 1.00 0.00 C ATOM 1422 CD1 LEU A 92 -5.802 6.338 -12.150 1.00 0.00 C ATOM 1423 CD2 LEU A 92 -3.912 7.844 -11.379 1.00 0.00 C ATOM 0 H LEU A 92 -1.402 6.218 -14.230 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.542 7.626 -15.430 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -4.334 5.955 -14.207 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -3.033 6.022 -13.035 1.00 0.00 H new ATOM 0 HG LEU A 92 -5.168 8.146 -13.067 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -6.456 6.836 -11.434 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -6.381 6.039 -13.024 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -5.362 5.455 -11.687 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -4.604 8.311 -10.678 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.388 7.027 -10.882 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.189 8.584 -11.722 1.00 0.00 H new ATOM 1435 N ARG A 93 -1.713 9.312 -13.397 1.00 0.00 N ATOM 1436 CA ARG A 93 -1.475 10.635 -12.844 1.00 0.00 C ATOM 1437 C ARG A 93 -0.775 11.523 -13.875 1.00 0.00 C ATOM 1438 O ARG A 93 -1.273 12.595 -14.216 1.00 0.00 O ATOM 1439 CB ARG A 93 -0.615 10.557 -11.581 1.00 0.00 C ATOM 1440 CG ARG A 93 -1.470 10.732 -10.324 1.00 0.00 C ATOM 1441 CD ARG A 93 -1.171 12.066 -9.639 1.00 0.00 C ATOM 1442 NE ARG A 93 -2.371 12.545 -8.918 1.00 0.00 N ATOM 1443 CZ ARG A 93 -2.376 13.589 -8.077 1.00 0.00 C ATOM 1444 NH1 ARG A 93 -1.245 14.269 -7.847 1.00 0.00 N ATOM 1445 NH2 ARG A 93 -3.513 13.952 -7.467 1.00 0.00 N ATOM 0 H ARG A 93 -0.930 8.664 -13.306 1.00 0.00 H new ATOM 0 HA ARG A 93 -2.442 11.066 -12.585 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -0.102 9.596 -11.545 1.00 0.00 H new ATOM 0 HB3 ARG A 93 0.154 11.329 -11.612 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -2.526 10.684 -10.589 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -1.277 9.912 -9.632 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -0.341 11.948 -8.942 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -0.863 12.804 -10.380 1.00 0.00 H new ATOM 0 HE ARG A 93 -3.250 12.050 -9.070 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -0.380 13.992 -8.312 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -1.249 15.063 -7.207 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -4.374 13.434 -7.643 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -3.517 14.746 -6.827 1.00 0.00 H new ATOM 1459 N LEU A 94 0.369 11.045 -14.342 1.00 0.00 N ATOM 1460 CA LEU A 94 1.142 11.782 -15.327 1.00 0.00 C ATOM 1461 C LEU A 94 0.237 12.157 -16.503 1.00 0.00 C ATOM 1462 O LEU A 94 0.521 13.107 -17.231 1.00 0.00 O ATOM 1463 CB LEU A 94 2.384 10.989 -15.736 1.00 0.00 C ATOM 1464 CG LEU A 94 3.558 11.810 -16.274 1.00 0.00 C ATOM 1465 CD1 LEU A 94 4.797 11.637 -15.394 1.00 0.00 C ATOM 1466 CD2 LEU A 94 3.841 11.468 -17.738 1.00 0.00 C ATOM 0 H LEU A 94 0.779 10.156 -14.056 1.00 0.00 H new ATOM 0 HA LEU A 94 1.513 12.714 -14.900 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.729 10.422 -14.872 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.094 10.265 -16.497 1.00 0.00 H new ATOM 0 HG LEU A 94 3.283 12.864 -16.238 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.616 12.231 -15.799 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.573 11.970 -14.381 1.00 0.00 H new ATOM 0 HD13 LEU A 94 5.086 10.586 -15.375 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.680 12.065 -18.096 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.087 10.410 -17.823 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.958 11.685 -18.340 1.00 0.00 H new ATOM 1478 N VAL A 95 -0.834 11.391 -16.651 1.00 0.00 N ATOM 1479 CA VAL A 95 -1.782 11.631 -17.726 1.00 0.00 C ATOM 1480 C VAL A 95 -2.379 13.031 -17.570 1.00 0.00 C ATOM 1481 O VAL A 95 -2.175 13.895 -18.422 1.00 0.00 O ATOM 1482 CB VAL A 95 -2.842 10.528 -17.745 1.00 0.00 C ATOM 1483 CG1 VAL A 95 -4.133 11.019 -18.402 1.00 0.00 C ATOM 1484 CG2 VAL A 95 -2.315 9.272 -18.442 1.00 0.00 C ATOM 0 H VAL A 95 -1.066 10.604 -16.045 1.00 0.00 H new ATOM 0 HA VAL A 95 -1.280 11.597 -18.693 1.00 0.00 H new ATOM 0 HB VAL A 95 -3.071 10.266 -16.712 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -4.869 10.215 -18.402 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.524 11.870 -17.844 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.926 11.322 -19.428 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -3.088 8.504 -18.441 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.044 9.513 -19.470 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.437 8.903 -17.912 1.00 0.00 H new ATOM 1494 N LEU A 96 -3.106 13.212 -16.477 1.00 0.00 N ATOM 1495 CA LEU A 96 -3.734 14.492 -16.199 1.00 0.00 C ATOM 1496 C LEU A 96 -2.711 15.612 -16.402 1.00 0.00 C ATOM 1497 O LEU A 96 -3.070 16.724 -16.786 1.00 0.00 O ATOM 1498 CB LEU A 96 -4.371 14.485 -14.809 1.00 0.00 C ATOM 1499 CG LEU A 96 -3.500 15.018 -13.669 1.00 0.00 C ATOM 1500 CD1 LEU A 96 -3.990 16.389 -13.199 1.00 0.00 C ATOM 1501 CD2 LEU A 96 -3.426 14.011 -12.519 1.00 0.00 C ATOM 0 H LEU A 96 -3.274 12.493 -15.773 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.551 14.676 -16.897 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -5.286 15.076 -14.847 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.662 13.462 -14.570 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.486 15.151 -14.047 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -3.354 16.745 -12.389 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -3.949 17.094 -14.029 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.017 16.306 -12.844 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -2.801 14.414 -11.722 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.429 13.824 -12.134 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.995 13.077 -12.880 1.00 0.00 H new