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 93:sc= 0.197 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 179:sc= -2.08 USER MOD Single : A 59 THR OG1 : rot 77:sc= 1.07 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl 178:sc= 0 (180deg=-0.00268) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl -108:sc= -2.75 (180deg=-11.8!) USER MOD Single : A 90 MET CE :methyl -159:sc= -0.0238 (180deg=-0.205) USER MOD ----------------------------------------------------------------- ATOM 102 N TYR A 8 -23.698 -10.700 28.351 1.00 0.00 N ATOM 103 CA TYR A 8 -24.140 -10.295 27.027 1.00 0.00 C ATOM 104 C TYR A 8 -23.010 -9.608 26.258 1.00 0.00 C ATOM 105 O TYR A 8 -22.650 -10.037 25.162 1.00 0.00 O ATOM 106 CB TYR A 8 -25.273 -9.292 27.250 1.00 0.00 C ATOM 107 CG TYR A 8 -26.244 -9.179 26.073 1.00 0.00 C ATOM 108 CD1 TYR A 8 -25.951 -8.345 25.014 1.00 0.00 C ATOM 109 CD2 TYR A 8 -27.414 -9.911 26.071 1.00 0.00 C ATOM 110 CE1 TYR A 8 -26.865 -8.238 23.906 1.00 0.00 C ATOM 111 CE2 TYR A 8 -28.328 -9.805 24.964 1.00 0.00 C ATOM 112 CZ TYR A 8 -28.009 -8.973 23.936 1.00 0.00 C ATOM 113 OH TYR A 8 -28.872 -8.873 22.890 1.00 0.00 O ATOM 0 HA TYR A 8 -24.457 -11.161 26.446 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -25.830 -9.581 28.141 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -24.842 -8.311 27.448 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -25.036 -7.772 25.016 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -27.644 -10.564 26.900 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -26.647 -7.589 23.071 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -29.246 -10.373 24.950 1.00 0.00 H new ATOM 0 HH TYR A 8 -29.645 -9.455 23.047 1.00 0.00 H new ATOM 123 N ALA A 9 -22.482 -8.554 26.861 1.00 0.00 N ATOM 124 CA ALA A 9 -21.400 -7.803 26.247 1.00 0.00 C ATOM 125 C ALA A 9 -20.191 -8.722 26.058 1.00 0.00 C ATOM 126 O ALA A 9 -19.310 -8.436 25.249 1.00 0.00 O ATOM 127 CB ALA A 9 -21.075 -6.580 27.106 1.00 0.00 C ATOM 0 H ALA A 9 -22.783 -8.202 27.769 1.00 0.00 H new ATOM 0 HA ALA A 9 -21.695 -7.440 25.263 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -20.263 -6.017 26.645 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -21.958 -5.946 27.185 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -20.772 -6.905 28.101 1.00 0.00 H new ATOM 133 N ALA A 10 -20.187 -9.806 26.819 1.00 0.00 N ATOM 134 CA ALA A 10 -19.101 -10.768 26.746 1.00 0.00 C ATOM 135 C ALA A 10 -19.138 -11.472 25.388 1.00 0.00 C ATOM 136 O ALA A 10 -18.221 -11.322 24.582 1.00 0.00 O ATOM 137 CB ALA A 10 -19.209 -11.750 27.915 1.00 0.00 C ATOM 0 H ALA A 10 -20.919 -10.040 27.490 1.00 0.00 H new ATOM 0 HA ALA A 10 -18.137 -10.265 26.830 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -18.394 -12.472 27.860 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -19.147 -11.204 28.856 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -20.163 -12.275 27.862 1.00 0.00 H new ATOM 143 N LEU A 11 -20.209 -12.224 25.177 1.00 0.00 N ATOM 144 CA LEU A 11 -20.378 -12.951 23.930 1.00 0.00 C ATOM 145 C LEU A 11 -20.298 -11.970 22.758 1.00 0.00 C ATOM 146 O LEU A 11 -19.714 -12.283 21.722 1.00 0.00 O ATOM 147 CB LEU A 11 -21.669 -13.771 23.959 1.00 0.00 C ATOM 148 CG LEU A 11 -22.967 -12.985 23.759 1.00 0.00 C ATOM 149 CD1 LEU A 11 -23.338 -12.908 22.277 1.00 0.00 C ATOM 150 CD2 LEU A 11 -24.099 -13.574 24.603 1.00 0.00 C ATOM 0 H LEU A 11 -20.968 -12.345 25.848 1.00 0.00 H new ATOM 0 HA LEU A 11 -19.572 -13.673 23.797 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -21.608 -14.536 23.185 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -21.725 -14.290 24.916 1.00 0.00 H new ATOM 0 HG LEU A 11 -22.805 -11.964 24.104 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -24.264 -12.344 22.163 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -22.539 -12.410 21.727 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -23.475 -13.915 21.883 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -25.010 -12.998 24.443 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -24.269 -14.610 24.311 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -23.825 -13.534 25.657 1.00 0.00 H new ATOM 162 N VAL A 12 -20.893 -10.804 22.962 1.00 0.00 N ATOM 163 CA VAL A 12 -20.897 -9.776 21.935 1.00 0.00 C ATOM 164 C VAL A 12 -19.458 -9.485 21.506 1.00 0.00 C ATOM 165 O VAL A 12 -19.141 -9.522 20.318 1.00 0.00 O ATOM 166 CB VAL A 12 -21.633 -8.534 22.441 1.00 0.00 C ATOM 167 CG1 VAL A 12 -21.191 -7.285 21.675 1.00 0.00 C ATOM 168 CG2 VAL A 12 -23.149 -8.722 22.355 1.00 0.00 C ATOM 0 H VAL A 12 -21.376 -10.548 23.823 1.00 0.00 H new ATOM 0 HA VAL A 12 -21.436 -10.120 21.052 1.00 0.00 H new ATOM 0 HB VAL A 12 -21.372 -8.394 23.490 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -21.729 -6.416 22.054 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -20.120 -7.136 21.810 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -21.409 -7.412 20.615 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -23.648 -7.825 22.721 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -23.435 -8.900 21.318 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -23.445 -9.576 22.965 1.00 0.00 H new ATOM 178 N THR A 13 -18.625 -9.202 22.497 1.00 0.00 N ATOM 179 CA THR A 13 -17.226 -8.904 22.237 1.00 0.00 C ATOM 180 C THR A 13 -16.538 -10.105 21.586 1.00 0.00 C ATOM 181 O THR A 13 -15.638 -9.939 20.764 1.00 0.00 O ATOM 182 CB THR A 13 -16.581 -8.474 23.556 1.00 0.00 C ATOM 183 OG1 THR A 13 -17.046 -7.142 23.752 1.00 0.00 O ATOM 184 CG2 THR A 13 -15.063 -8.327 23.444 1.00 0.00 C ATOM 0 H THR A 13 -18.892 -9.173 23.481 1.00 0.00 H new ATOM 0 HA THR A 13 -17.121 -8.085 21.526 1.00 0.00 H new ATOM 0 HB THR A 13 -16.819 -9.203 24.331 1.00 0.00 H new ATOM 0 HG1 THR A 13 -17.861 -7.157 24.296 1.00 0.00 H new ATOM 0 HG21 THR A 13 -14.655 -8.020 24.407 1.00 0.00 H new ATOM 0 HG22 THR A 13 -14.626 -9.282 23.152 1.00 0.00 H new ATOM 0 HG23 THR A 13 -14.825 -7.574 22.693 1.00 0.00 H new ATOM 192 N PHE A 14 -16.986 -11.288 21.979 1.00 0.00 N ATOM 193 CA PHE A 14 -16.424 -12.517 21.445 1.00 0.00 C ATOM 194 C PHE A 14 -16.697 -12.638 19.944 1.00 0.00 C ATOM 195 O PHE A 14 -15.779 -12.871 19.160 1.00 0.00 O ATOM 196 CB PHE A 14 -17.111 -13.676 22.171 1.00 0.00 C ATOM 197 CG PHE A 14 -16.207 -14.888 22.402 1.00 0.00 C ATOM 198 CD1 PHE A 14 -15.438 -14.959 23.522 1.00 0.00 C ATOM 199 CD2 PHE A 14 -16.172 -15.895 21.489 1.00 0.00 C ATOM 200 CE1 PHE A 14 -14.598 -16.084 23.737 1.00 0.00 C ATOM 201 CE2 PHE A 14 -15.333 -17.020 21.704 1.00 0.00 C ATOM 202 CZ PHE A 14 -14.564 -17.091 22.823 1.00 0.00 C ATOM 0 H PHE A 14 -17.732 -11.422 22.661 1.00 0.00 H new ATOM 0 HA PHE A 14 -15.344 -12.527 21.593 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -17.479 -13.321 23.134 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -17.981 -13.989 21.593 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -15.466 -14.160 24.248 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -16.783 -15.839 20.600 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -13.987 -16.140 24.626 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -15.306 -17.820 20.979 1.00 0.00 H new ATOM 0 HZ PHE A 14 -13.926 -17.947 22.986 1.00 0.00 H new ATOM 212 N GLY A 15 -17.963 -12.472 19.590 1.00 0.00 N ATOM 213 CA GLY A 15 -18.368 -12.560 18.198 1.00 0.00 C ATOM 214 C GLY A 15 -17.825 -11.377 17.394 1.00 0.00 C ATOM 215 O GLY A 15 -17.649 -11.475 16.180 1.00 0.00 O ATOM 0 H GLY A 15 -18.722 -12.277 20.243 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -18.005 -13.494 17.768 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -19.456 -12.580 18.132 1.00 0.00 H new ATOM 219 N SER A 16 -17.575 -10.285 18.103 1.00 0.00 N ATOM 220 CA SER A 16 -17.056 -9.085 17.470 1.00 0.00 C ATOM 221 C SER A 16 -15.613 -9.314 17.017 1.00 0.00 C ATOM 222 O SER A 16 -15.280 -9.084 15.855 1.00 0.00 O ATOM 223 CB SER A 16 -17.131 -7.886 18.418 1.00 0.00 C ATOM 224 OG SER A 16 -17.765 -6.764 17.812 1.00 0.00 O ATOM 0 H SER A 16 -17.722 -10.207 19.109 1.00 0.00 H new ATOM 0 HA SER A 16 -17.672 -8.864 16.599 1.00 0.00 H new ATOM 0 HB2 SER A 16 -17.678 -8.169 19.317 1.00 0.00 H new ATOM 0 HB3 SER A 16 -16.125 -7.608 18.731 1.00 0.00 H new ATOM 0 HG SER A 16 -17.794 -6.021 18.450 1.00 0.00 H new ATOM 230 N ILE A 17 -14.796 -9.764 17.957 1.00 0.00 N ATOM 231 CA ILE A 17 -13.396 -10.027 17.669 1.00 0.00 C ATOM 232 C ILE A 17 -13.290 -11.241 16.744 1.00 0.00 C ATOM 233 O ILE A 17 -12.778 -11.135 15.630 1.00 0.00 O ATOM 234 CB ILE A 17 -12.600 -10.172 18.967 1.00 0.00 C ATOM 235 CG1 ILE A 17 -12.630 -8.874 19.776 1.00 0.00 C ATOM 236 CG2 ILE A 17 -11.170 -10.638 18.684 1.00 0.00 C ATOM 237 CD1 ILE A 17 -11.839 -7.770 19.072 1.00 0.00 C ATOM 0 H ILE A 17 -15.076 -9.953 18.919 1.00 0.00 H new ATOM 0 HA ILE A 17 -12.950 -9.183 17.142 1.00 0.00 H new ATOM 0 HB ILE A 17 -13.075 -10.942 19.575 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -13.662 -8.553 19.917 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -12.212 -9.050 20.767 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -10.626 -10.733 19.624 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -11.195 -11.604 18.180 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -10.669 -9.909 18.047 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -11.877 -6.858 19.668 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -10.802 -8.084 18.954 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -12.274 -7.580 18.091 1.00 0.00 H new ATOM 249 N PHE A 18 -13.782 -12.368 17.239 1.00 0.00 N ATOM 250 CA PHE A 18 -13.748 -13.600 16.471 1.00 0.00 C ATOM 251 C PHE A 18 -14.327 -13.389 15.070 1.00 0.00 C ATOM 252 O PHE A 18 -13.807 -13.925 14.092 1.00 0.00 O ATOM 253 CB PHE A 18 -14.613 -14.617 17.219 1.00 0.00 C ATOM 254 CG PHE A 18 -14.265 -16.075 16.912 1.00 0.00 C ATOM 255 CD1 PHE A 18 -13.200 -16.663 17.520 1.00 0.00 C ATOM 256 CD2 PHE A 18 -15.020 -16.783 16.030 1.00 0.00 C ATOM 257 CE1 PHE A 18 -12.877 -18.016 17.235 1.00 0.00 C ATOM 258 CE2 PHE A 18 -14.697 -18.137 15.745 1.00 0.00 C ATOM 259 CZ PHE A 18 -13.633 -18.724 16.354 1.00 0.00 C ATOM 0 H PHE A 18 -14.206 -12.453 18.163 1.00 0.00 H new ATOM 0 HA PHE A 18 -12.719 -13.942 16.362 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -14.510 -14.448 18.291 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -15.659 -14.443 16.968 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -12.600 -16.101 18.220 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -15.865 -16.316 15.546 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -12.031 -18.483 17.718 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -15.297 -18.700 15.045 1.00 0.00 H new ATOM 0 HZ PHE A 18 -13.388 -19.753 16.138 1.00 0.00 H new ATOM 441 N ILE A 30 -5.247 -8.146 -8.371 1.00 0.00 N ATOM 442 CA ILE A 30 -6.339 -7.251 -8.028 1.00 0.00 C ATOM 443 C ILE A 30 -5.954 -6.433 -6.794 1.00 0.00 C ATOM 444 O ILE A 30 -6.398 -5.297 -6.634 1.00 0.00 O ATOM 445 CB ILE A 30 -7.643 -8.035 -7.863 1.00 0.00 C ATOM 446 CG1 ILE A 30 -8.008 -8.768 -9.155 1.00 0.00 C ATOM 447 CG2 ILE A 30 -8.774 -7.124 -7.381 1.00 0.00 C ATOM 448 CD1 ILE A 30 -7.567 -10.232 -9.099 1.00 0.00 C ATOM 0 HA ILE A 30 -6.519 -6.543 -8.837 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.491 -8.793 -7.094 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -9.085 -8.715 -9.316 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.534 -8.274 -10.004 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -9.689 -7.706 -7.272 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -8.505 -6.688 -6.419 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -8.935 -6.328 -8.108 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -7.839 -10.730 -10.030 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.487 -10.282 -8.963 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -8.061 -10.729 -8.264 1.00 0.00 H new ATOM 460 N ALA A 31 -5.131 -7.041 -5.952 1.00 0.00 N ATOM 461 CA ALA A 31 -4.681 -6.384 -4.738 1.00 0.00 C ATOM 462 C ALA A 31 -3.744 -5.231 -5.104 1.00 0.00 C ATOM 463 O ALA A 31 -3.754 -4.187 -4.454 1.00 0.00 O ATOM 464 CB ALA A 31 -4.012 -7.409 -3.819 1.00 0.00 C ATOM 0 H ALA A 31 -4.764 -7.983 -6.088 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.527 -5.962 -4.195 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.674 -6.915 -2.908 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.727 -8.191 -3.564 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.157 -7.852 -4.330 1.00 0.00 H new ATOM 470 N GLY A 32 -2.957 -5.458 -6.145 1.00 0.00 N ATOM 471 CA GLY A 32 -2.016 -4.451 -6.606 1.00 0.00 C ATOM 472 C GLY A 32 -2.747 -3.270 -7.247 1.00 0.00 C ATOM 473 O GLY A 32 -2.500 -2.118 -6.895 1.00 0.00 O ATOM 0 H GLY A 32 -2.951 -6.325 -6.683 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.415 -4.099 -5.768 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.329 -4.893 -7.328 1.00 0.00 H new ATOM 477 N LEU A 33 -3.634 -3.597 -8.176 1.00 0.00 N ATOM 478 CA LEU A 33 -4.403 -2.577 -8.868 1.00 0.00 C ATOM 479 C LEU A 33 -5.180 -1.747 -7.844 1.00 0.00 C ATOM 480 O LEU A 33 -5.261 -0.526 -7.964 1.00 0.00 O ATOM 481 CB LEU A 33 -5.287 -3.211 -9.944 1.00 0.00 C ATOM 482 CG LEU A 33 -6.410 -2.330 -10.495 1.00 0.00 C ATOM 483 CD1 LEU A 33 -6.126 -1.920 -11.941 1.00 0.00 C ATOM 484 CD2 LEU A 33 -7.769 -3.018 -10.350 1.00 0.00 C ATOM 0 H LEU A 33 -3.837 -4.554 -8.465 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.739 -1.892 -9.396 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.651 -3.516 -10.775 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.732 -4.117 -9.533 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.448 -1.416 -9.903 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.940 -1.294 -12.308 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.191 -1.361 -11.984 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.045 -2.812 -12.563 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.549 -2.370 -10.749 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.761 -3.959 -10.901 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.966 -3.216 -9.296 1.00 0.00 H new ATOM 496 N PHE A 34 -5.731 -2.444 -6.861 1.00 0.00 N ATOM 497 CA PHE A 34 -6.498 -1.786 -5.817 1.00 0.00 C ATOM 498 C PHE A 34 -5.617 -0.834 -5.006 1.00 0.00 C ATOM 499 O PHE A 34 -6.007 0.301 -4.737 1.00 0.00 O ATOM 500 CB PHE A 34 -7.029 -2.884 -4.893 1.00 0.00 C ATOM 501 CG PHE A 34 -8.100 -2.407 -3.911 1.00 0.00 C ATOM 502 CD1 PHE A 34 -9.393 -2.293 -4.317 1.00 0.00 C ATOM 503 CD2 PHE A 34 -7.760 -2.096 -2.631 1.00 0.00 C ATOM 504 CE1 PHE A 34 -10.388 -1.850 -3.405 1.00 0.00 C ATOM 505 CE2 PHE A 34 -8.754 -1.653 -1.720 1.00 0.00 C ATOM 506 CZ PHE A 34 -10.047 -1.539 -2.126 1.00 0.00 C ATOM 0 H PHE A 34 -5.662 -3.457 -6.766 1.00 0.00 H new ATOM 0 HA PHE A 34 -7.305 -1.202 -6.260 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -7.441 -3.689 -5.502 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.196 -3.305 -4.330 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -9.663 -2.539 -5.333 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -6.733 -2.186 -2.308 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -11.415 -1.760 -3.727 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -8.484 -1.406 -0.704 1.00 0.00 H new ATOM 0 HZ PHE A 34 -10.803 -1.201 -1.432 1.00 0.00 H new ATOM 516 N VAL A 35 -4.446 -1.333 -4.638 1.00 0.00 N ATOM 517 CA VAL A 35 -3.506 -0.541 -3.863 1.00 0.00 C ATOM 518 C VAL A 35 -3.138 0.719 -4.648 1.00 0.00 C ATOM 519 O VAL A 35 -2.933 1.782 -4.063 1.00 0.00 O ATOM 520 CB VAL A 35 -2.289 -1.390 -3.490 1.00 0.00 C ATOM 521 CG1 VAL A 35 -1.107 -0.507 -3.087 1.00 0.00 C ATOM 522 CG2 VAL A 35 -2.634 -2.385 -2.380 1.00 0.00 C ATOM 0 H VAL A 35 -4.127 -2.276 -4.862 1.00 0.00 H new ATOM 0 HA VAL A 35 -3.960 -0.219 -2.926 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.996 -1.960 -4.371 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.255 -1.136 -2.827 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.838 0.143 -3.920 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.385 0.102 -2.227 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.752 -2.976 -2.134 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.966 -1.842 -1.495 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.431 -3.047 -2.719 1.00 0.00 H new ATOM 532 N GLY A 36 -3.065 0.560 -5.961 1.00 0.00 N ATOM 533 CA GLY A 36 -2.725 1.671 -6.833 1.00 0.00 C ATOM 534 C GLY A 36 -3.850 2.708 -6.864 1.00 0.00 C ATOM 535 O GLY A 36 -3.597 3.907 -6.760 1.00 0.00 O ATOM 0 H GLY A 36 -3.236 -0.323 -6.443 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.803 2.140 -6.488 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.538 1.302 -7.841 1.00 0.00 H new ATOM 539 N CYS A 37 -5.068 2.207 -7.007 1.00 0.00 N ATOM 540 CA CYS A 37 -6.233 3.075 -7.053 1.00 0.00 C ATOM 541 C CYS A 37 -6.292 3.869 -5.746 1.00 0.00 C ATOM 542 O CYS A 37 -6.332 5.099 -5.765 1.00 0.00 O ATOM 543 CB CYS A 37 -7.519 2.283 -7.297 1.00 0.00 C ATOM 544 SG CYS A 37 -8.734 3.322 -8.188 1.00 0.00 S ATOM 0 H CYS A 37 -5.274 1.212 -7.093 1.00 0.00 H new ATOM 0 HA CYS A 37 -6.143 3.764 -7.893 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -7.299 1.387 -7.877 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -7.938 1.952 -6.347 1.00 0.00 H new ATOM 0 HG CYS A 37 -9.821 2.640 -8.392 1.00 0.00 H new ATOM 550 N LEU A 38 -6.294 3.135 -4.644 1.00 0.00 N ATOM 551 CA LEU A 38 -6.347 3.756 -3.331 1.00 0.00 C ATOM 552 C LEU A 38 -5.126 4.659 -3.149 1.00 0.00 C ATOM 553 O LEU A 38 -5.211 5.701 -2.501 1.00 0.00 O ATOM 554 CB LEU A 38 -6.493 2.692 -2.241 1.00 0.00 C ATOM 555 CG LEU A 38 -5.189 2.095 -1.707 1.00 0.00 C ATOM 556 CD1 LEU A 38 -4.477 3.078 -0.776 1.00 0.00 C ATOM 557 CD2 LEU A 38 -5.440 0.745 -1.033 1.00 0.00 C ATOM 0 H LEU A 38 -6.260 2.116 -4.633 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.229 4.391 -3.245 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.038 3.130 -1.405 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.107 1.881 -2.633 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.525 1.914 -2.552 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.553 2.629 -0.411 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.245 3.993 -1.322 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.125 3.314 0.068 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.497 0.342 -0.662 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.131 0.877 -0.200 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.871 0.052 -1.756 1.00 0.00 H new ATOM 569 N ALA A 39 -4.018 4.228 -3.733 1.00 0.00 N ATOM 570 CA ALA A 39 -2.781 4.985 -3.644 1.00 0.00 C ATOM 571 C ALA A 39 -3.009 6.392 -4.198 1.00 0.00 C ATOM 572 O ALA A 39 -2.591 7.377 -3.591 1.00 0.00 O ATOM 573 CB ALA A 39 -1.671 4.238 -4.386 1.00 0.00 C ATOM 0 H ALA A 39 -3.951 3.363 -4.270 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.467 5.087 -2.605 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.743 4.806 -4.319 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.529 3.256 -3.935 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.949 4.119 -5.433 1.00 0.00 H new ATOM 579 N GLY A 40 -3.670 6.443 -5.345 1.00 0.00 N ATOM 580 CA GLY A 40 -3.958 7.713 -5.988 1.00 0.00 C ATOM 581 C GLY A 40 -4.962 8.527 -5.169 1.00 0.00 C ATOM 582 O GLY A 40 -4.646 9.620 -4.702 1.00 0.00 O ATOM 0 H GLY A 40 -4.015 5.624 -5.846 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.036 8.281 -6.108 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.356 7.537 -6.987 1.00 0.00 H new ATOM 768 N ASP A 52 4.563 11.369 -5.542 1.00 0.00 N ATOM 769 CA ASP A 52 3.871 11.152 -6.801 1.00 0.00 C ATOM 770 C ASP A 52 3.974 9.675 -7.187 1.00 0.00 C ATOM 771 O ASP A 52 2.971 8.963 -7.204 1.00 0.00 O ATOM 772 CB ASP A 52 4.499 11.978 -7.925 1.00 0.00 C ATOM 773 CG ASP A 52 3.506 12.564 -8.930 1.00 0.00 C ATOM 774 OD1 ASP A 52 2.732 11.831 -9.564 1.00 0.00 O ATOM 775 OD2 ASP A 52 3.546 13.847 -9.053 1.00 0.00 O ATOM 0 HA ASP A 52 2.832 11.453 -6.670 1.00 0.00 H new ATOM 0 HB2 ASP A 52 5.068 12.795 -7.481 1.00 0.00 H new ATOM 0 HB3 ASP A 52 5.210 11.351 -8.463 1.00 0.00 H new ATOM 780 N VAL A 53 5.195 9.258 -7.487 1.00 0.00 N ATOM 781 CA VAL A 53 5.442 7.879 -7.871 1.00 0.00 C ATOM 782 C VAL A 53 6.215 7.173 -6.755 1.00 0.00 C ATOM 783 O VAL A 53 6.364 5.952 -6.773 1.00 0.00 O ATOM 784 CB VAL A 53 6.163 7.832 -9.220 1.00 0.00 C ATOM 785 CG1 VAL A 53 6.379 6.388 -9.676 1.00 0.00 C ATOM 786 CG2 VAL A 53 5.400 8.633 -10.277 1.00 0.00 C ATOM 0 H VAL A 53 6.024 9.851 -7.472 1.00 0.00 H new ATOM 0 HA VAL A 53 4.501 7.345 -8.002 1.00 0.00 H new ATOM 0 HB VAL A 53 7.143 8.293 -9.093 1.00 0.00 H new ATOM 0 HG11 VAL A 53 6.893 6.383 -10.637 1.00 0.00 H new ATOM 0 HG12 VAL A 53 6.983 5.860 -8.938 1.00 0.00 H new ATOM 0 HG13 VAL A 53 5.415 5.891 -9.778 1.00 0.00 H new ATOM 0 HG21 VAL A 53 5.933 8.583 -11.226 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.401 8.214 -10.400 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.321 9.673 -9.959 1.00 0.00 H new ATOM 796 N LYS A 54 6.687 7.973 -5.810 1.00 0.00 N ATOM 797 CA LYS A 54 7.442 7.440 -4.688 1.00 0.00 C ATOM 798 C LYS A 54 6.667 6.279 -4.062 1.00 0.00 C ATOM 799 O LYS A 54 7.205 5.186 -3.897 1.00 0.00 O ATOM 800 CB LYS A 54 7.786 8.554 -3.697 1.00 0.00 C ATOM 801 CG LYS A 54 9.278 8.891 -3.747 1.00 0.00 C ATOM 802 CD LYS A 54 9.662 9.851 -2.620 1.00 0.00 C ATOM 803 CE LYS A 54 11.148 9.728 -2.277 1.00 0.00 C ATOM 804 NZ LYS A 54 11.334 9.611 -0.813 1.00 0.00 N ATOM 0 H LYS A 54 6.562 8.985 -5.798 1.00 0.00 H new ATOM 0 HA LYS A 54 8.397 7.040 -5.028 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.201 9.444 -3.927 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.513 8.245 -2.688 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.864 7.976 -3.665 1.00 0.00 H new ATOM 0 HG3 LYS A 54 9.521 9.340 -4.710 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.437 10.875 -2.918 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.062 9.637 -1.735 1.00 0.00 H new ATOM 0 HE2 LYS A 54 11.571 8.855 -2.774 1.00 0.00 H new ATOM 0 HE3 LYS A 54 11.687 10.599 -2.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 12.348 9.528 -0.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.948 10.456 -0.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.836 8.766 -0.466 1.00 0.00 H new ATOM 818 N VAL A 55 5.414 6.556 -3.731 1.00 0.00 N ATOM 819 CA VAL A 55 4.559 5.548 -3.128 1.00 0.00 C ATOM 820 C VAL A 55 4.362 4.395 -4.114 1.00 0.00 C ATOM 821 O VAL A 55 4.240 3.241 -3.709 1.00 0.00 O ATOM 822 CB VAL A 55 3.241 6.181 -2.677 1.00 0.00 C ATOM 823 CG1 VAL A 55 2.517 6.837 -3.855 1.00 0.00 C ATOM 824 CG2 VAL A 55 2.345 5.151 -1.988 1.00 0.00 C ATOM 0 H VAL A 55 4.971 7.464 -3.869 1.00 0.00 H new ATOM 0 HA VAL A 55 5.028 5.135 -2.235 1.00 0.00 H new ATOM 0 HB VAL A 55 3.475 6.960 -1.951 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.583 7.279 -3.508 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.150 7.614 -4.283 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.302 6.085 -4.614 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.415 5.627 -1.678 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.123 4.340 -2.681 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.857 4.751 -1.113 1.00 0.00 H new ATOM 834 N SER A 56 4.337 4.749 -5.391 1.00 0.00 N ATOM 835 CA SER A 56 4.157 3.759 -6.438 1.00 0.00 C ATOM 836 C SER A 56 5.213 2.660 -6.307 1.00 0.00 C ATOM 837 O SER A 56 4.880 1.495 -6.097 1.00 0.00 O ATOM 838 CB SER A 56 4.230 4.403 -7.824 1.00 0.00 C ATOM 839 OG SER A 56 3.332 3.791 -8.746 1.00 0.00 O ATOM 0 H SER A 56 4.438 5.708 -5.724 1.00 0.00 H new ATOM 0 HA SER A 56 3.167 3.318 -6.324 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.998 5.465 -7.743 1.00 0.00 H new ATOM 0 HB3 SER A 56 5.248 4.327 -8.205 1.00 0.00 H new ATOM 0 HG SER A 56 3.402 4.237 -9.616 1.00 0.00 H new ATOM 845 N LEU A 57 6.467 3.070 -6.437 1.00 0.00 N ATOM 846 CA LEU A 57 7.574 2.135 -6.335 1.00 0.00 C ATOM 847 C LEU A 57 7.585 1.514 -4.937 1.00 0.00 C ATOM 848 O LEU A 57 7.389 0.309 -4.787 1.00 0.00 O ATOM 849 CB LEU A 57 8.889 2.819 -6.715 1.00 0.00 C ATOM 850 CG LEU A 57 10.054 1.889 -7.060 1.00 0.00 C ATOM 851 CD1 LEU A 57 10.264 1.812 -8.574 1.00 0.00 C ATOM 852 CD2 LEU A 57 11.328 2.309 -6.325 1.00 0.00 C ATOM 0 H LEU A 57 6.740 4.037 -6.612 1.00 0.00 H new ATOM 0 HA LEU A 57 7.449 1.318 -7.045 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.703 3.469 -7.570 1.00 0.00 H new ATOM 0 HB3 LEU A 57 9.194 3.460 -5.888 1.00 0.00 H new ATOM 0 HG LEU A 57 9.802 0.885 -6.718 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.098 1.145 -8.792 1.00 0.00 H new ATOM 0 HD12 LEU A 57 9.360 1.430 -9.048 1.00 0.00 H new ATOM 0 HD13 LEU A 57 10.484 2.807 -8.962 1.00 0.00 H new ATOM 0 HD21 LEU A 57 12.140 1.631 -6.588 1.00 0.00 H new ATOM 0 HD22 LEU A 57 11.596 3.326 -6.613 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.157 2.270 -5.249 1.00 0.00 H new ATOM 864 N PHE A 58 7.817 2.365 -3.948 1.00 0.00 N ATOM 865 CA PHE A 58 7.856 1.915 -2.567 1.00 0.00 C ATOM 866 C PHE A 58 6.760 0.883 -2.295 1.00 0.00 C ATOM 867 O PHE A 58 6.948 -0.031 -1.495 1.00 0.00 O ATOM 868 CB PHE A 58 7.612 3.144 -1.689 1.00 0.00 C ATOM 869 CG PHE A 58 8.269 3.064 -0.310 1.00 0.00 C ATOM 870 CD1 PHE A 58 9.583 3.383 -0.162 1.00 0.00 C ATOM 871 CD2 PHE A 58 7.539 2.672 0.769 1.00 0.00 C ATOM 872 CE1 PHE A 58 10.192 3.308 1.118 1.00 0.00 C ATOM 873 CE2 PHE A 58 8.149 2.597 2.049 1.00 0.00 C ATOM 874 CZ PHE A 58 9.462 2.917 2.197 1.00 0.00 C ATOM 0 H PHE A 58 7.980 3.364 -4.076 1.00 0.00 H new ATOM 0 HA PHE A 58 8.818 1.448 -2.355 1.00 0.00 H new ATOM 0 HB2 PHE A 58 7.985 4.028 -2.207 1.00 0.00 H new ATOM 0 HB3 PHE A 58 6.538 3.279 -1.561 1.00 0.00 H new ATOM 0 HD1 PHE A 58 10.163 3.693 -1.019 1.00 0.00 H new ATOM 0 HD2 PHE A 58 6.496 2.418 0.652 1.00 0.00 H new ATOM 0 HE1 PHE A 58 11.235 3.561 1.235 1.00 0.00 H new ATOM 0 HE2 PHE A 58 7.570 2.286 2.906 1.00 0.00 H new ATOM 0 HZ PHE A 58 9.925 2.861 3.171 1.00 0.00 H new ATOM 884 N THR A 59 5.639 1.065 -2.978 1.00 0.00 N ATOM 885 CA THR A 59 4.512 0.161 -2.820 1.00 0.00 C ATOM 886 C THR A 59 4.831 -1.202 -3.439 1.00 0.00 C ATOM 887 O THR A 59 4.833 -2.217 -2.745 1.00 0.00 O ATOM 888 CB THR A 59 3.279 0.831 -3.428 1.00 0.00 C ATOM 889 OG1 THR A 59 2.861 1.760 -2.431 1.00 0.00 O ATOM 890 CG2 THR A 59 2.096 -0.129 -3.562 1.00 0.00 C ATOM 0 H THR A 59 5.487 1.825 -3.642 1.00 0.00 H new ATOM 0 HA THR A 59 4.307 -0.035 -1.768 1.00 0.00 H new ATOM 0 HB THR A 59 3.532 1.233 -4.409 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.447 2.545 -2.449 1.00 0.00 H new ATOM 0 HG21 THR A 59 1.248 0.398 -3.999 1.00 0.00 H new ATOM 0 HG22 THR A 59 2.375 -0.963 -4.205 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.821 -0.507 -2.577 1.00 0.00 H new ATOM 898 N ALA A 60 5.091 -1.179 -4.738 1.00 0.00 N ATOM 899 CA ALA A 60 5.410 -2.400 -5.458 1.00 0.00 C ATOM 900 C ALA A 60 6.405 -3.225 -4.639 1.00 0.00 C ATOM 901 O ALA A 60 6.250 -4.438 -4.506 1.00 0.00 O ATOM 902 CB ALA A 60 5.948 -2.048 -6.847 1.00 0.00 C ATOM 0 H ALA A 60 5.087 -0.335 -5.310 1.00 0.00 H new ATOM 0 HA ALA A 60 4.516 -3.007 -5.599 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.187 -2.964 -7.387 1.00 0.00 H new ATOM 0 HB2 ALA A 60 5.193 -1.488 -7.399 1.00 0.00 H new ATOM 0 HB3 ALA A 60 6.848 -1.441 -6.746 1.00 0.00 H new ATOM 908 N PHE A 61 7.405 -2.534 -4.112 1.00 0.00 N ATOM 909 CA PHE A 61 8.426 -3.187 -3.311 1.00 0.00 C ATOM 910 C PHE A 61 7.822 -3.792 -2.042 1.00 0.00 C ATOM 911 O PHE A 61 8.102 -4.941 -1.703 1.00 0.00 O ATOM 912 CB PHE A 61 9.441 -2.112 -2.916 1.00 0.00 C ATOM 913 CG PHE A 61 10.725 -2.134 -3.748 1.00 0.00 C ATOM 914 CD1 PHE A 61 10.706 -1.705 -5.038 1.00 0.00 C ATOM 915 CD2 PHE A 61 11.885 -2.581 -3.197 1.00 0.00 C ATOM 916 CE1 PHE A 61 11.898 -1.724 -5.810 1.00 0.00 C ATOM 917 CE2 PHE A 61 13.076 -2.601 -3.969 1.00 0.00 C ATOM 918 CZ PHE A 61 13.058 -2.172 -5.259 1.00 0.00 C ATOM 0 H PHE A 61 7.530 -1.528 -4.224 1.00 0.00 H new ATOM 0 HA PHE A 61 8.888 -3.992 -3.882 1.00 0.00 H new ATOM 0 HB2 PHE A 61 8.974 -1.132 -3.013 1.00 0.00 H new ATOM 0 HB3 PHE A 61 9.699 -2.239 -1.865 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.785 -1.350 -5.476 1.00 0.00 H new ATOM 0 HD2 PHE A 61 11.900 -2.921 -2.172 1.00 0.00 H new ATOM 0 HE1 PHE A 61 11.883 -1.383 -6.835 1.00 0.00 H new ATOM 0 HE2 PHE A 61 13.997 -2.957 -3.531 1.00 0.00 H new ATOM 0 HZ PHE A 61 13.964 -2.187 -5.846 1.00 0.00 H new ATOM 928 N PHE A 62 7.004 -2.991 -1.374 1.00 0.00 N ATOM 929 CA PHE A 62 6.359 -3.433 -0.149 1.00 0.00 C ATOM 930 C PHE A 62 5.386 -4.582 -0.426 1.00 0.00 C ATOM 931 O PHE A 62 5.629 -5.717 -0.020 1.00 0.00 O ATOM 932 CB PHE A 62 5.576 -2.239 0.400 1.00 0.00 C ATOM 933 CG PHE A 62 5.903 -1.896 1.854 1.00 0.00 C ATOM 934 CD1 PHE A 62 6.020 -2.888 2.777 1.00 0.00 C ATOM 935 CD2 PHE A 62 6.078 -0.599 2.224 1.00 0.00 C ATOM 936 CE1 PHE A 62 6.324 -2.569 4.127 1.00 0.00 C ATOM 937 CE2 PHE A 62 6.382 -0.280 3.574 1.00 0.00 C ATOM 938 CZ PHE A 62 6.499 -1.272 4.497 1.00 0.00 C ATOM 0 H PHE A 62 6.773 -2.039 -1.658 1.00 0.00 H new ATOM 0 HA PHE A 62 7.108 -3.789 0.559 1.00 0.00 H new ATOM 0 HB2 PHE A 62 5.779 -1.368 -0.223 1.00 0.00 H new ATOM 0 HB3 PHE A 62 4.509 -2.448 0.318 1.00 0.00 H new ATOM 0 HD1 PHE A 62 5.882 -3.918 2.483 1.00 0.00 H new ATOM 0 HD2 PHE A 62 5.986 0.189 1.491 1.00 0.00 H new ATOM 0 HE1 PHE A 62 6.416 -3.357 4.860 1.00 0.00 H new ATOM 0 HE2 PHE A 62 6.520 0.750 3.868 1.00 0.00 H new ATOM 0 HZ PHE A 62 6.731 -1.030 5.524 1.00 0.00 H new ATOM 948 N LEU A 63 4.306 -4.247 -1.117 1.00 0.00 N ATOM 949 CA LEU A 63 3.296 -5.236 -1.453 1.00 0.00 C ATOM 950 C LEU A 63 3.982 -6.513 -1.941 1.00 0.00 C ATOM 951 O LEU A 63 3.523 -7.618 -1.654 1.00 0.00 O ATOM 952 CB LEU A 63 2.291 -4.658 -2.450 1.00 0.00 C ATOM 953 CG LEU A 63 0.840 -4.580 -1.972 1.00 0.00 C ATOM 954 CD1 LEU A 63 0.567 -3.252 -1.261 1.00 0.00 C ATOM 955 CD2 LEU A 63 -0.133 -4.821 -3.128 1.00 0.00 C ATOM 0 H LEU A 63 4.109 -3.304 -1.453 1.00 0.00 H new ATOM 0 HA LEU A 63 2.715 -5.503 -0.570 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.617 -3.654 -2.723 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.322 -5.261 -3.357 1.00 0.00 H new ATOM 0 HG LEU A 63 0.678 -5.375 -1.244 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.472 -3.223 -0.931 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.225 -3.160 -0.397 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.753 -2.426 -1.948 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.157 -4.760 -2.760 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.022 -4.065 -3.898 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.042 -5.810 -3.551 1.00 0.00 H new ATOM 967 N ALA A 64 5.071 -6.320 -2.671 1.00 0.00 N ATOM 968 CA ALA A 64 5.824 -7.443 -3.203 1.00 0.00 C ATOM 969 C ALA A 64 6.297 -8.327 -2.047 1.00 0.00 C ATOM 970 O ALA A 64 5.836 -9.457 -1.896 1.00 0.00 O ATOM 971 CB ALA A 64 6.986 -6.922 -4.052 1.00 0.00 C ATOM 0 H ALA A 64 5.450 -5.403 -2.906 1.00 0.00 H new ATOM 0 HA ALA A 64 5.196 -8.055 -3.850 1.00 0.00 H new ATOM 0 HB1 ALA A 64 7.551 -7.764 -4.451 1.00 0.00 H new ATOM 0 HB2 ALA A 64 6.595 -6.324 -4.875 1.00 0.00 H new ATOM 0 HB3 ALA A 64 7.640 -6.306 -3.435 1.00 0.00 H new ATOM 977 N THR A 65 7.212 -7.778 -1.260 1.00 0.00 N ATOM 978 CA THR A 65 7.752 -8.503 -0.122 1.00 0.00 C ATOM 979 C THR A 65 6.620 -9.004 0.777 1.00 0.00 C ATOM 980 O THR A 65 6.474 -10.207 0.984 1.00 0.00 O ATOM 981 CB THR A 65 8.739 -7.582 0.599 1.00 0.00 C ATOM 982 OG1 THR A 65 9.842 -7.485 -0.299 1.00 0.00 O ATOM 983 CG2 THR A 65 9.334 -8.228 1.852 1.00 0.00 C ATOM 0 H THR A 65 7.593 -6.840 -1.388 1.00 0.00 H new ATOM 0 HA THR A 65 8.291 -9.396 -0.440 1.00 0.00 H new ATOM 0 HB THR A 65 8.237 -6.654 0.873 1.00 0.00 H new ATOM 0 HG1 THR A 65 10.529 -6.904 0.089 1.00 0.00 H new ATOM 0 HG21 THR A 65 10.027 -7.533 2.326 1.00 0.00 H new ATOM 0 HG22 THR A 65 8.533 -8.474 2.550 1.00 0.00 H new ATOM 0 HG23 THR A 65 9.866 -9.138 1.575 1.00 0.00 H new ATOM 991 N ILE A 66 5.849 -8.055 1.288 1.00 0.00 N ATOM 992 CA ILE A 66 4.735 -8.386 2.160 1.00 0.00 C ATOM 993 C ILE A 66 3.986 -9.591 1.590 1.00 0.00 C ATOM 994 O ILE A 66 3.790 -10.589 2.282 1.00 0.00 O ATOM 995 CB ILE A 66 3.848 -7.159 2.383 1.00 0.00 C ATOM 996 CG1 ILE A 66 4.563 -6.113 3.240 1.00 0.00 C ATOM 997 CG2 ILE A 66 2.497 -7.562 2.979 1.00 0.00 C ATOM 998 CD1 ILE A 66 3.729 -4.835 3.355 1.00 0.00 C ATOM 0 H ILE A 66 5.974 -7.058 1.115 1.00 0.00 H new ATOM 0 HA ILE A 66 5.096 -8.674 3.147 1.00 0.00 H new ATOM 0 HB ILE A 66 3.650 -6.700 1.415 1.00 0.00 H new ATOM 0 HG12 ILE A 66 4.751 -6.519 4.234 1.00 0.00 H new ATOM 0 HG13 ILE A 66 5.533 -5.880 2.802 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.885 -6.672 3.128 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.987 -8.243 2.297 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.655 -8.058 3.937 1.00 0.00 H new ATOM 0 HD11 ILE A 66 4.260 -4.108 3.969 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.563 -4.418 2.362 1.00 0.00 H new ATOM 0 HD13 ILE A 66 2.769 -5.067 3.816 1.00 0.00 H new ATOM 1010 N MET A 67 3.589 -9.460 0.333 1.00 0.00 N ATOM 1011 CA MET A 67 2.866 -10.527 -0.339 1.00 0.00 C ATOM 1012 C MET A 67 3.572 -11.871 -0.151 1.00 0.00 C ATOM 1013 O MET A 67 3.061 -12.754 0.536 1.00 0.00 O ATOM 1014 CB MET A 67 2.759 -10.210 -1.832 1.00 0.00 C ATOM 1015 CG MET A 67 1.578 -9.279 -2.112 1.00 0.00 C ATOM 1016 SD MET A 67 0.170 -10.228 -2.663 1.00 0.00 S ATOM 1017 CE MET A 67 -0.899 -10.048 -1.245 1.00 0.00 C ATOM 0 H MET A 67 3.754 -8.631 -0.238 1.00 0.00 H new ATOM 0 HA MET A 67 1.870 -10.597 0.099 1.00 0.00 H new ATOM 0 HB2 MET A 67 3.683 -9.745 -2.176 1.00 0.00 H new ATOM 0 HB3 MET A 67 2.639 -11.135 -2.396 1.00 0.00 H new ATOM 0 HG2 MET A 67 1.322 -8.722 -1.211 1.00 0.00 H new ATOM 0 HG3 MET A 67 1.853 -8.547 -2.871 1.00 0.00 H new ATOM 0 HE1 MET A 67 -1.845 -10.554 -1.436 1.00 0.00 H new ATOM 0 HE2 MET A 67 -0.421 -10.490 -0.371 1.00 0.00 H new ATOM 0 HE3 MET A 67 -1.084 -8.990 -1.061 1.00 0.00 H new ATOM 1027 N GLY A 68 4.736 -11.984 -0.773 1.00 0.00 N ATOM 1028 CA GLY A 68 5.518 -13.205 -0.683 1.00 0.00 C ATOM 1029 C GLY A 68 4.648 -14.434 -0.957 1.00 0.00 C ATOM 1030 O GLY A 68 4.759 -15.444 -0.264 1.00 0.00 O ATOM 0 H GLY A 68 5.157 -11.249 -1.342 1.00 0.00 H new ATOM 0 HA2 GLY A 68 6.339 -13.169 -1.399 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.963 -13.284 0.309 1.00 0.00 H new ATOM 1245 N ALA A 80 1.147 -9.045 -10.816 1.00 0.00 N ATOM 1246 CA ALA A 80 1.023 -8.208 -11.997 1.00 0.00 C ATOM 1247 C ALA A 80 0.439 -6.851 -11.596 1.00 0.00 C ATOM 1248 O ALA A 80 0.968 -5.807 -11.976 1.00 0.00 O ATOM 1249 CB ALA A 80 0.167 -8.924 -13.043 1.00 0.00 C ATOM 0 HA ALA A 80 2.001 -8.028 -12.444 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.074 -8.296 -13.929 1.00 0.00 H new ATOM 0 HB2 ALA A 80 0.639 -9.868 -13.315 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.823 -9.119 -12.631 1.00 0.00 H new ATOM 1255 N GLY A 81 -0.643 -6.910 -10.834 1.00 0.00 N ATOM 1256 CA GLY A 81 -1.303 -5.699 -10.378 1.00 0.00 C ATOM 1257 C GLY A 81 -0.362 -4.850 -9.522 1.00 0.00 C ATOM 1258 O GLY A 81 -0.529 -3.635 -9.428 1.00 0.00 O ATOM 0 H GLY A 81 -1.079 -7.777 -10.521 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -1.641 -5.119 -11.237 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.190 -5.960 -9.800 1.00 0.00 H new ATOM 1262 N LEU A 82 0.608 -5.522 -8.921 1.00 0.00 N ATOM 1263 CA LEU A 82 1.577 -4.845 -8.076 1.00 0.00 C ATOM 1264 C LEU A 82 2.290 -3.764 -8.891 1.00 0.00 C ATOM 1265 O LEU A 82 1.972 -2.582 -8.773 1.00 0.00 O ATOM 1266 CB LEU A 82 2.527 -5.857 -7.432 1.00 0.00 C ATOM 1267 CG LEU A 82 2.626 -5.806 -5.906 1.00 0.00 C ATOM 1268 CD1 LEU A 82 2.239 -7.150 -5.286 1.00 0.00 C ATOM 1269 CD2 LEU A 82 4.017 -5.349 -5.462 1.00 0.00 C ATOM 0 H LEU A 82 0.744 -6.530 -9.002 1.00 0.00 H new ATOM 0 HA LEU A 82 1.076 -4.343 -7.249 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.210 -6.859 -7.723 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.524 -5.705 -7.846 1.00 0.00 H new ATOM 0 HG LEU A 82 1.913 -5.067 -5.542 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.318 -7.086 -4.201 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.213 -7.396 -5.561 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.909 -7.927 -5.654 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.061 -5.321 -4.373 1.00 0.00 H new ATOM 0 HD22 LEU A 82 4.766 -6.046 -5.838 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.217 -4.353 -5.858 1.00 0.00 H new ATOM 1281 N VAL A 83 3.241 -4.209 -9.699 1.00 0.00 N ATOM 1282 CA VAL A 83 4.002 -3.294 -10.534 1.00 0.00 C ATOM 1283 C VAL A 83 3.060 -2.615 -11.530 1.00 0.00 C ATOM 1284 O VAL A 83 2.979 -1.389 -11.576 1.00 0.00 O ATOM 1285 CB VAL A 83 5.153 -4.040 -11.212 1.00 0.00 C ATOM 1286 CG1 VAL A 83 5.868 -3.141 -12.224 1.00 0.00 C ATOM 1287 CG2 VAL A 83 6.136 -4.590 -10.177 1.00 0.00 C ATOM 0 H VAL A 83 3.502 -5.190 -9.794 1.00 0.00 H new ATOM 0 HA VAL A 83 4.453 -2.509 -9.928 1.00 0.00 H new ATOM 0 HB VAL A 83 4.730 -4.886 -11.754 1.00 0.00 H new ATOM 0 HG11 VAL A 83 6.682 -3.695 -12.692 1.00 0.00 H new ATOM 0 HG12 VAL A 83 5.161 -2.820 -12.989 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.271 -2.267 -11.713 1.00 0.00 H new ATOM 0 HG21 VAL A 83 6.944 -5.116 -10.686 1.00 0.00 H new ATOM 0 HG22 VAL A 83 6.549 -3.767 -9.594 1.00 0.00 H new ATOM 0 HG23 VAL A 83 5.616 -5.280 -9.512 1.00 0.00 H new ATOM 1297 N ALA A 84 2.370 -3.443 -12.302 1.00 0.00 N ATOM 1298 CA ALA A 84 1.437 -2.938 -13.294 1.00 0.00 C ATOM 1299 C ALA A 84 0.566 -1.850 -12.662 1.00 0.00 C ATOM 1300 O ALA A 84 0.146 -0.914 -13.340 1.00 0.00 O ATOM 1301 CB ALA A 84 0.608 -4.096 -13.852 1.00 0.00 C ATOM 0 H ALA A 84 2.439 -4.460 -12.260 1.00 0.00 H new ATOM 0 HA ALA A 84 1.973 -2.488 -14.130 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -0.092 -3.717 -14.596 1.00 0.00 H new ATOM 0 HB2 ALA A 84 1.270 -4.827 -14.316 1.00 0.00 H new ATOM 0 HB3 ALA A 84 0.054 -4.571 -13.042 1.00 0.00 H new ATOM 1307 N GLY A 85 0.321 -2.009 -11.369 1.00 0.00 N ATOM 1308 CA GLY A 85 -0.491 -1.052 -10.638 1.00 0.00 C ATOM 1309 C GLY A 85 0.261 0.265 -10.436 1.00 0.00 C ATOM 1310 O GLY A 85 -0.253 1.333 -10.765 1.00 0.00 O ATOM 0 H GLY A 85 0.671 -2.787 -10.809 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.418 -0.866 -11.181 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.767 -1.469 -9.670 1.00 0.00 H new ATOM 1314 N LEU A 86 1.465 0.145 -9.897 1.00 0.00 N ATOM 1315 CA LEU A 86 2.293 1.313 -9.648 1.00 0.00 C ATOM 1316 C LEU A 86 2.372 2.158 -10.921 1.00 0.00 C ATOM 1317 O LEU A 86 2.280 3.383 -10.864 1.00 0.00 O ATOM 1318 CB LEU A 86 3.659 0.894 -9.102 1.00 0.00 C ATOM 1319 CG LEU A 86 4.785 0.776 -10.131 1.00 0.00 C ATOM 1320 CD1 LEU A 86 5.385 2.147 -10.447 1.00 0.00 C ATOM 1321 CD2 LEU A 86 5.849 -0.222 -9.667 1.00 0.00 C ATOM 0 H LEU A 86 1.887 -0.743 -9.626 1.00 0.00 H new ATOM 0 HA LEU A 86 1.846 1.940 -8.877 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.962 1.615 -8.343 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.549 -0.068 -8.602 1.00 0.00 H new ATOM 0 HG LEU A 86 4.362 0.389 -11.058 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.183 2.035 -11.181 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.610 2.799 -10.850 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.790 2.586 -9.535 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.638 -0.287 -10.416 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.274 0.113 -8.721 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.394 -1.203 -9.533 1.00 0.00 H new ATOM 1333 N SER A 87 2.542 1.469 -12.040 1.00 0.00 N ATOM 1334 CA SER A 87 2.634 2.141 -13.325 1.00 0.00 C ATOM 1335 C SER A 87 1.315 2.849 -13.642 1.00 0.00 C ATOM 1336 O SER A 87 1.288 4.065 -13.823 1.00 0.00 O ATOM 1337 CB SER A 87 2.987 1.153 -14.439 1.00 0.00 C ATOM 1338 OG SER A 87 3.943 1.692 -15.348 1.00 0.00 O ATOM 0 H SER A 87 2.618 0.453 -12.083 1.00 0.00 H new ATOM 0 HA SER A 87 3.431 2.882 -13.267 1.00 0.00 H new ATOM 0 HB2 SER A 87 3.381 0.237 -13.999 1.00 0.00 H new ATOM 0 HB3 SER A 87 2.082 0.882 -14.983 1.00 0.00 H new ATOM 0 HG SER A 87 4.143 1.030 -16.043 1.00 0.00 H new ATOM 1344 N LEU A 88 0.255 2.057 -13.700 1.00 0.00 N ATOM 1345 CA LEU A 88 -1.064 2.593 -13.991 1.00 0.00 C ATOM 1346 C LEU A 88 -1.344 3.779 -13.067 1.00 0.00 C ATOM 1347 O LEU A 88 -2.088 4.689 -13.427 1.00 0.00 O ATOM 1348 CB LEU A 88 -2.120 1.489 -13.912 1.00 0.00 C ATOM 1349 CG LEU A 88 -2.800 1.115 -15.231 1.00 0.00 C ATOM 1350 CD1 LEU A 88 -3.310 -0.327 -15.196 1.00 0.00 C ATOM 1351 CD2 LEU A 88 -3.912 2.108 -15.576 1.00 0.00 C ATOM 0 H LEU A 88 0.282 1.048 -13.551 1.00 0.00 H new ATOM 0 HA LEU A 88 -1.105 2.969 -15.013 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.652 0.595 -13.501 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.889 1.799 -13.205 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.057 1.174 -16.026 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.789 -0.567 -16.145 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.473 -1.005 -15.030 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -4.032 -0.438 -14.387 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -4.379 1.819 -16.518 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.661 2.105 -14.784 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.490 3.108 -15.672 1.00 0.00 H new ATOM 1363 N MET A 89 -0.732 3.730 -11.892 1.00 0.00 N ATOM 1364 CA MET A 89 -0.906 4.789 -10.913 1.00 0.00 C ATOM 1365 C MET A 89 -0.248 6.087 -11.386 1.00 0.00 C ATOM 1366 O MET A 89 -0.934 7.068 -11.669 1.00 0.00 O ATOM 1367 CB MET A 89 -0.289 4.360 -9.581 1.00 0.00 C ATOM 1368 CG MET A 89 -0.827 5.209 -8.428 1.00 0.00 C ATOM 1369 SD MET A 89 0.527 5.879 -7.478 1.00 0.00 S ATOM 1370 CE MET A 89 0.984 7.256 -8.517 1.00 0.00 C ATOM 0 H MET A 89 -0.115 2.973 -11.597 1.00 0.00 H new ATOM 0 HA MET A 89 -1.974 4.970 -10.787 1.00 0.00 H new ATOM 0 HB2 MET A 89 -0.509 3.309 -9.396 1.00 0.00 H new ATOM 0 HB3 MET A 89 0.796 4.455 -9.632 1.00 0.00 H new ATOM 0 HG2 MET A 89 -1.443 6.019 -8.819 1.00 0.00 H new ATOM 0 HG3 MET A 89 -1.467 4.602 -7.787 1.00 0.00 H new ATOM 0 HE1 MET A 89 1.932 7.041 -9.010 1.00 0.00 H new ATOM 0 HE2 MET A 89 0.212 7.416 -9.269 1.00 0.00 H new ATOM 0 HE3 MET A 89 1.088 8.153 -7.907 1.00 0.00 H new ATOM 1380 N MET A 90 1.074 6.050 -11.458 1.00 0.00 N ATOM 1381 CA MET A 90 1.833 7.211 -11.892 1.00 0.00 C ATOM 1382 C MET A 90 1.320 7.729 -13.237 1.00 0.00 C ATOM 1383 O MET A 90 1.527 8.893 -13.578 1.00 0.00 O ATOM 1384 CB MET A 90 3.311 6.837 -12.018 1.00 0.00 C ATOM 1385 CG MET A 90 3.512 5.742 -13.067 1.00 0.00 C ATOM 1386 SD MET A 90 5.077 5.969 -13.894 1.00 0.00 S ATOM 1387 CE MET A 90 4.663 7.327 -14.976 1.00 0.00 C ATOM 0 H MET A 90 1.640 5.234 -11.223 1.00 0.00 H new ATOM 0 HA MET A 90 1.711 8.000 -11.150 1.00 0.00 H new ATOM 0 HB2 MET A 90 3.891 7.719 -12.292 1.00 0.00 H new ATOM 0 HB3 MET A 90 3.687 6.495 -11.054 1.00 0.00 H new ATOM 0 HG2 MET A 90 3.481 4.762 -12.592 1.00 0.00 H new ATOM 0 HG3 MET A 90 2.700 5.770 -13.794 1.00 0.00 H new ATOM 0 HE1 MET A 90 5.369 7.360 -15.806 1.00 0.00 H new ATOM 0 HE2 MET A 90 3.654 7.189 -15.364 1.00 0.00 H new ATOM 0 HE3 MET A 90 4.713 8.263 -14.420 1.00 0.00 H new ATOM 1397 N ILE A 91 0.662 6.840 -13.966 1.00 0.00 N ATOM 1398 CA ILE A 91 0.118 7.192 -15.266 1.00 0.00 C ATOM 1399 C ILE A 91 -1.209 7.930 -15.077 1.00 0.00 C ATOM 1400 O ILE A 91 -1.493 8.895 -15.784 1.00 0.00 O ATOM 1401 CB ILE A 91 0.011 5.953 -16.156 1.00 0.00 C ATOM 1402 CG1 ILE A 91 1.385 5.535 -16.683 1.00 0.00 C ATOM 1403 CG2 ILE A 91 -0.994 6.176 -17.289 1.00 0.00 C ATOM 1404 CD1 ILE A 91 1.878 6.506 -17.758 1.00 0.00 C ATOM 0 H ILE A 91 0.493 5.875 -13.681 1.00 0.00 H new ATOM 0 HA ILE A 91 0.790 7.873 -15.788 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.365 5.129 -15.549 1.00 0.00 H new ATOM 0 HG12 ILE A 91 2.100 5.504 -15.861 1.00 0.00 H new ATOM 0 HG13 ILE A 91 1.329 4.528 -17.096 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.051 5.280 -17.907 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -1.976 6.389 -16.867 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.672 7.018 -17.901 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.857 6.186 -18.116 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.173 6.517 -18.589 1.00 0.00 H new ATOM 0 HD13 ILE A 91 1.956 7.508 -17.335 1.00 0.00 H new ATOM 1416 N LEU A 92 -1.986 7.448 -14.118 1.00 0.00 N ATOM 1417 CA LEU A 92 -3.276 8.049 -13.827 1.00 0.00 C ATOM 1418 C LEU A 92 -3.066 9.316 -12.994 1.00 0.00 C ATOM 1419 O LEU A 92 -3.990 10.111 -12.824 1.00 0.00 O ATOM 1420 CB LEU A 92 -4.207 7.028 -13.169 1.00 0.00 C ATOM 1421 CG LEU A 92 -4.264 7.060 -11.640 1.00 0.00 C ATOM 1422 CD1 LEU A 92 -5.111 8.235 -11.148 1.00 0.00 C ATOM 1423 CD2 LEU A 92 -4.759 5.724 -11.083 1.00 0.00 C ATOM 0 H LEU A 92 -1.747 6.648 -13.533 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.773 8.351 -14.749 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -5.215 7.184 -13.554 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -3.898 6.030 -13.481 1.00 0.00 H new ATOM 0 HG LEU A 92 -3.253 7.212 -11.263 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -5.135 8.235 -10.058 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -4.676 9.170 -11.501 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -6.126 8.138 -11.534 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -4.790 5.773 -9.995 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -5.759 5.518 -11.466 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -4.081 4.928 -11.391 1.00 0.00 H new ATOM 1435 N ARG A 93 -1.847 9.464 -12.498 1.00 0.00 N ATOM 1436 CA ARG A 93 -1.505 10.621 -11.687 1.00 0.00 C ATOM 1437 C ARG A 93 -0.982 11.754 -12.573 1.00 0.00 C ATOM 1438 O ARG A 93 -1.474 12.879 -12.503 1.00 0.00 O ATOM 1439 CB ARG A 93 -0.444 10.268 -10.644 1.00 0.00 C ATOM 1440 CG ARG A 93 -1.027 10.315 -9.230 1.00 0.00 C ATOM 1441 CD ARG A 93 -0.470 11.505 -8.446 1.00 0.00 C ATOM 1442 NE ARG A 93 -1.475 11.985 -7.472 1.00 0.00 N ATOM 1443 CZ ARG A 93 -1.279 13.013 -6.635 1.00 0.00 C ATOM 1444 NH1 ARG A 93 -0.114 13.675 -6.648 1.00 0.00 N ATOM 1445 NH2 ARG A 93 -2.248 13.379 -5.785 1.00 0.00 N ATOM 0 H ARG A 93 -1.084 8.803 -12.642 1.00 0.00 H new ATOM 0 HA ARG A 93 -2.410 10.945 -11.173 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -0.049 9.272 -10.845 1.00 0.00 H new ATOM 0 HB3 ARG A 93 0.391 10.964 -10.720 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -2.113 10.386 -9.283 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -0.794 9.388 -8.706 1.00 0.00 H new ATOM 0 HD2 ARG A 93 0.442 11.213 -7.926 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -0.203 12.309 -9.131 1.00 0.00 H new ATOM 0 HE ARG A 93 -2.373 11.503 -7.435 1.00 0.00 H new ATOM 0 HH11 ARG A 93 0.624 13.396 -7.295 1.00 0.00 H new ATOM 0 HH12 ARG A 93 0.035 14.457 -6.011 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -3.135 12.875 -5.775 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -2.099 14.161 -5.148 1.00 0.00 H new ATOM 1459 N LEU A 94 0.008 11.417 -13.386 1.00 0.00 N ATOM 1460 CA LEU A 94 0.603 12.392 -14.285 1.00 0.00 C ATOM 1461 C LEU A 94 -0.485 12.979 -15.186 1.00 0.00 C ATOM 1462 O LEU A 94 -0.297 14.037 -15.784 1.00 0.00 O ATOM 1463 CB LEU A 94 1.770 11.770 -15.054 1.00 0.00 C ATOM 1464 CG LEU A 94 2.771 12.753 -15.664 1.00 0.00 C ATOM 1465 CD1 LEU A 94 4.172 12.141 -15.726 1.00 0.00 C ATOM 1466 CD2 LEU A 94 2.297 13.238 -17.035 1.00 0.00 C ATOM 0 H LEU A 94 0.413 10.483 -13.441 1.00 0.00 H new ATOM 0 HA LEU A 94 1.030 13.220 -13.720 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.309 11.104 -14.380 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.363 11.152 -15.855 1.00 0.00 H new ATOM 0 HG LEU A 94 2.830 13.627 -15.016 1.00 0.00 H new ATOM 0 HD11 LEU A 94 4.864 12.860 -16.164 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.502 11.886 -14.719 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.149 11.240 -16.340 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.027 13.936 -17.446 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.191 12.386 -17.706 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.335 13.739 -16.931 1.00 0.00 H new ATOM 1478 N VAL A 95 -1.599 12.265 -15.256 1.00 0.00 N ATOM 1479 CA VAL A 95 -2.717 12.701 -16.075 1.00 0.00 C ATOM 1480 C VAL A 95 -3.411 13.883 -15.395 1.00 0.00 C ATOM 1481 O VAL A 95 -3.486 14.973 -15.960 1.00 0.00 O ATOM 1482 CB VAL A 95 -3.661 11.527 -16.342 1.00 0.00 C ATOM 1483 CG1 VAL A 95 -5.053 12.021 -16.740 1.00 0.00 C ATOM 1484 CG2 VAL A 95 -3.085 10.592 -17.407 1.00 0.00 C ATOM 0 H VAL A 95 -1.751 11.387 -14.759 1.00 0.00 H new ATOM 0 HA VAL A 95 -2.366 13.045 -17.048 1.00 0.00 H new ATOM 0 HB VAL A 95 -3.760 10.960 -15.416 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -5.704 11.166 -16.924 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.468 12.626 -15.934 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.980 12.623 -17.646 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -3.775 9.766 -17.578 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.942 11.143 -18.336 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -2.127 10.199 -17.067 1.00 0.00 H new ATOM 1494 N LEU A 96 -3.902 13.627 -14.191 1.00 0.00 N ATOM 1495 CA LEU A 96 -4.587 14.656 -13.428 1.00 0.00 C ATOM 1496 C LEU A 96 -3.765 15.946 -13.467 1.00 0.00 C ATOM 1497 O LEU A 96 -4.322 17.042 -13.419 1.00 0.00 O ATOM 1498 CB LEU A 96 -4.888 14.162 -12.012 1.00 0.00 C ATOM 1499 CG LEU A 96 -3.765 14.336 -10.987 1.00 0.00 C ATOM 1500 CD1 LEU A 96 -4.139 15.382 -9.936 1.00 0.00 C ATOM 1501 CD2 LEU A 96 -3.388 12.995 -10.354 1.00 0.00 C ATOM 0 H LEU A 96 -3.839 12.722 -13.725 1.00 0.00 H new ATOM 0 HA LEU A 96 -5.555 14.881 -13.875 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -5.771 14.686 -11.646 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -5.144 13.104 -12.065 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.881 14.706 -11.507 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -3.324 15.486 -9.220 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.318 16.340 -10.424 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.042 15.066 -9.414 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -2.588 13.147 -9.630 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.258 12.573 -9.851 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -3.049 12.309 -11.130 1.00 0.00 H new