USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=10 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= 0.465 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 -175:sc= -1.38! USER MOD Single : A 59 THR OG1 : rot 77:sc= 0.874 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl -108:sc= -3.49 (180deg=-9.01!) USER MOD Single : A 90 MET CE :methyl -121:sc= -0.0738 (180deg=-1.08) USER MOD ----------------------------------------------------------------- ATOM 102 N TYR A 8 -10.050 -30.585 23.789 1.00 0.00 N ATOM 103 CA TYR A 8 -9.209 -30.355 22.626 1.00 0.00 C ATOM 104 C TYR A 8 -10.052 -29.989 21.403 1.00 0.00 C ATOM 105 O TYR A 8 -9.779 -28.995 20.732 1.00 0.00 O ATOM 106 CB TYR A 8 -8.491 -31.679 22.357 1.00 0.00 C ATOM 107 CG TYR A 8 -7.226 -31.540 21.508 1.00 0.00 C ATOM 108 CD1 TYR A 8 -6.048 -31.116 22.089 1.00 0.00 C ATOM 109 CD2 TYR A 8 -7.263 -31.838 20.161 1.00 0.00 C ATOM 110 CE1 TYR A 8 -4.857 -30.985 21.290 1.00 0.00 C ATOM 111 CE2 TYR A 8 -6.072 -31.707 19.362 1.00 0.00 C ATOM 112 CZ TYR A 8 -4.928 -31.287 19.966 1.00 0.00 C ATOM 113 OH TYR A 8 -3.804 -31.163 19.211 1.00 0.00 O ATOM 0 HA TYR A 8 -8.517 -29.533 22.810 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -8.228 -32.138 23.310 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -9.180 -32.359 21.855 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -6.019 -30.882 23.143 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -8.185 -32.169 19.706 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -3.929 -30.654 21.732 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -6.087 -31.937 18.307 1.00 0.00 H new ATOM 0 HH TYR A 8 -4.003 -31.413 18.285 1.00 0.00 H new ATOM 123 N ALA A 9 -11.060 -30.811 21.151 1.00 0.00 N ATOM 124 CA ALA A 9 -11.945 -30.585 20.021 1.00 0.00 C ATOM 125 C ALA A 9 -12.773 -29.323 20.271 1.00 0.00 C ATOM 126 O ALA A 9 -13.220 -28.673 19.327 1.00 0.00 O ATOM 127 CB ALA A 9 -12.819 -31.822 19.801 1.00 0.00 C ATOM 0 H ALA A 9 -11.284 -31.634 21.710 1.00 0.00 H new ATOM 0 HA ALA A 9 -11.370 -30.426 19.109 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -13.483 -31.652 18.953 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -12.184 -32.685 19.598 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -13.413 -32.011 20.695 1.00 0.00 H new ATOM 133 N ALA A 10 -12.953 -29.015 21.547 1.00 0.00 N ATOM 134 CA ALA A 10 -13.719 -27.842 21.933 1.00 0.00 C ATOM 135 C ALA A 10 -12.986 -26.583 21.468 1.00 0.00 C ATOM 136 O ALA A 10 -13.487 -25.846 20.620 1.00 0.00 O ATOM 137 CB ALA A 10 -13.950 -27.858 23.445 1.00 0.00 C ATOM 0 H ALA A 10 -12.582 -29.557 22.327 1.00 0.00 H new ATOM 0 HA ALA A 10 -14.698 -27.848 21.454 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -14.525 -26.978 23.735 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -14.501 -28.758 23.719 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -12.989 -27.850 23.960 1.00 0.00 H new ATOM 143 N LEU A 11 -11.811 -26.375 22.043 1.00 0.00 N ATOM 144 CA LEU A 11 -11.003 -25.217 21.698 1.00 0.00 C ATOM 145 C LEU A 11 -10.782 -25.188 20.184 1.00 0.00 C ATOM 146 O LEU A 11 -10.841 -24.126 19.565 1.00 0.00 O ATOM 147 CB LEU A 11 -9.706 -25.208 22.508 1.00 0.00 C ATOM 148 CG LEU A 11 -8.654 -26.243 22.103 1.00 0.00 C ATOM 149 CD1 LEU A 11 -7.694 -25.670 21.059 1.00 0.00 C ATOM 150 CD2 LEU A 11 -7.913 -26.780 23.329 1.00 0.00 C ATOM 0 H LEU A 11 -11.399 -26.989 22.746 1.00 0.00 H new ATOM 0 HA LEU A 11 -11.524 -24.297 21.963 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -9.260 -24.217 22.431 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -9.955 -25.364 23.557 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.166 -27.087 21.641 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -6.957 -26.426 20.789 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -8.255 -25.376 20.172 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.186 -24.799 21.472 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -7.171 -27.514 23.013 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.414 -25.958 23.842 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -8.625 -27.252 24.006 1.00 0.00 H new ATOM 162 N VAL A 12 -10.533 -26.366 19.631 1.00 0.00 N ATOM 163 CA VAL A 12 -10.304 -26.488 18.202 1.00 0.00 C ATOM 164 C VAL A 12 -11.461 -25.832 17.446 1.00 0.00 C ATOM 165 O VAL A 12 -11.241 -24.982 16.584 1.00 0.00 O ATOM 166 CB VAL A 12 -10.103 -27.958 17.828 1.00 0.00 C ATOM 167 CG1 VAL A 12 -10.418 -28.196 16.350 1.00 0.00 C ATOM 168 CG2 VAL A 12 -8.684 -28.421 18.168 1.00 0.00 C ATOM 0 H VAL A 12 -10.485 -27.244 20.147 1.00 0.00 H new ATOM 0 HA VAL A 12 -9.391 -25.966 17.916 1.00 0.00 H new ATOM 0 HB VAL A 12 -10.800 -28.552 18.419 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.267 -29.249 16.111 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -11.454 -27.923 16.150 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.757 -27.586 15.734 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -8.567 -29.469 17.892 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.963 -27.818 17.616 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.510 -28.306 19.238 1.00 0.00 H new ATOM 178 N THR A 13 -12.668 -26.251 17.796 1.00 0.00 N ATOM 179 CA THR A 13 -13.860 -25.715 17.161 1.00 0.00 C ATOM 180 C THR A 13 -13.970 -24.211 17.418 1.00 0.00 C ATOM 181 O THR A 13 -14.439 -23.464 16.561 1.00 0.00 O ATOM 182 CB THR A 13 -15.064 -26.509 17.670 1.00 0.00 C ATOM 183 OG1 THR A 13 -14.901 -27.799 17.089 1.00 0.00 O ATOM 184 CG2 THR A 13 -16.387 -26.003 17.089 1.00 0.00 C ATOM 0 H THR A 13 -12.846 -26.956 18.511 1.00 0.00 H new ATOM 0 HA THR A 13 -13.815 -25.825 16.077 1.00 0.00 H new ATOM 0 HB THR A 13 -15.100 -26.454 18.758 1.00 0.00 H new ATOM 0 HG1 THR A 13 -14.322 -28.345 17.661 1.00 0.00 H new ATOM 0 HG21 THR A 13 -17.209 -26.601 17.482 1.00 0.00 H new ATOM 0 HG22 THR A 13 -16.531 -24.959 17.368 1.00 0.00 H new ATOM 0 HG23 THR A 13 -16.364 -26.088 16.003 1.00 0.00 H new ATOM 192 N PHE A 14 -13.530 -23.812 18.603 1.00 0.00 N ATOM 193 CA PHE A 14 -13.574 -22.410 18.984 1.00 0.00 C ATOM 194 C PHE A 14 -12.712 -21.561 18.047 1.00 0.00 C ATOM 195 O PHE A 14 -13.198 -20.600 17.452 1.00 0.00 O ATOM 196 CB PHE A 14 -13.010 -22.315 20.403 1.00 0.00 C ATOM 197 CG PHE A 14 -13.551 -21.132 21.209 1.00 0.00 C ATOM 198 CD1 PHE A 14 -14.821 -21.164 21.694 1.00 0.00 C ATOM 199 CD2 PHE A 14 -12.762 -20.049 21.440 1.00 0.00 C ATOM 200 CE1 PHE A 14 -15.323 -20.067 22.443 1.00 0.00 C ATOM 201 CE2 PHE A 14 -13.264 -18.952 22.188 1.00 0.00 C ATOM 202 CZ PHE A 14 -14.534 -18.984 22.674 1.00 0.00 C ATOM 0 H PHE A 14 -13.142 -24.435 19.311 1.00 0.00 H new ATOM 0 HA PHE A 14 -14.598 -22.040 18.928 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -13.237 -23.239 20.936 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -11.924 -22.237 20.347 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -15.448 -22.024 21.510 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -11.753 -20.023 21.054 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -16.331 -20.093 22.829 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -12.637 -18.092 22.371 1.00 0.00 H new ATOM 0 HZ PHE A 14 -14.916 -18.149 23.243 1.00 0.00 H new ATOM 212 N GLY A 15 -11.449 -21.945 17.946 1.00 0.00 N ATOM 213 CA GLY A 15 -10.515 -21.231 17.092 1.00 0.00 C ATOM 214 C GLY A 15 -10.884 -21.396 15.617 1.00 0.00 C ATOM 215 O GLY A 15 -10.540 -20.554 14.789 1.00 0.00 O ATOM 0 H GLY A 15 -11.050 -22.742 18.442 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -10.513 -20.173 17.354 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -9.505 -21.603 17.261 1.00 0.00 H new ATOM 219 N SER A 16 -11.581 -22.486 15.333 1.00 0.00 N ATOM 220 CA SER A 16 -12.001 -22.773 13.972 1.00 0.00 C ATOM 221 C SER A 16 -13.014 -21.726 13.505 1.00 0.00 C ATOM 222 O SER A 16 -12.842 -21.117 12.451 1.00 0.00 O ATOM 223 CB SER A 16 -12.601 -24.176 13.864 1.00 0.00 C ATOM 224 OG SER A 16 -11.902 -24.984 12.920 1.00 0.00 O ATOM 0 H SER A 16 -11.866 -23.182 16.023 1.00 0.00 H new ATOM 0 HA SER A 16 -11.122 -22.733 13.328 1.00 0.00 H new ATOM 0 HB2 SER A 16 -12.576 -24.657 14.842 1.00 0.00 H new ATOM 0 HB3 SER A 16 -13.648 -24.101 13.572 1.00 0.00 H new ATOM 0 HG SER A 16 -12.314 -25.872 12.881 1.00 0.00 H new ATOM 230 N ILE A 17 -14.048 -21.548 14.314 1.00 0.00 N ATOM 231 CA ILE A 17 -15.089 -20.585 13.998 1.00 0.00 C ATOM 232 C ILE A 17 -14.527 -19.169 14.135 1.00 0.00 C ATOM 233 O ILE A 17 -14.623 -18.366 13.208 1.00 0.00 O ATOM 234 CB ILE A 17 -16.332 -20.839 14.853 1.00 0.00 C ATOM 235 CG1 ILE A 17 -16.927 -22.218 14.561 1.00 0.00 C ATOM 236 CG2 ILE A 17 -17.361 -19.721 14.671 1.00 0.00 C ATOM 237 CD1 ILE A 17 -17.930 -22.623 15.643 1.00 0.00 C ATOM 0 H ILE A 17 -14.187 -22.055 15.188 1.00 0.00 H new ATOM 0 HA ILE A 17 -15.413 -20.701 12.964 1.00 0.00 H new ATOM 0 HB ILE A 17 -16.032 -20.833 15.901 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -17.420 -22.207 13.589 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -16.129 -22.958 14.505 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -18.235 -19.926 15.290 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -16.921 -18.769 14.969 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -17.662 -19.670 13.625 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -18.338 -23.607 15.411 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -17.428 -22.657 16.610 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -18.740 -21.894 15.680 1.00 0.00 H new ATOM 249 N PHE A 18 -13.952 -18.905 15.300 1.00 0.00 N ATOM 250 CA PHE A 18 -13.374 -17.600 15.571 1.00 0.00 C ATOM 251 C PHE A 18 -12.445 -17.166 14.436 1.00 0.00 C ATOM 252 O PHE A 18 -12.398 -15.989 14.083 1.00 0.00 O ATOM 253 CB PHE A 18 -12.560 -17.730 16.860 1.00 0.00 C ATOM 254 CG PHE A 18 -12.274 -16.396 17.552 1.00 0.00 C ATOM 255 CD1 PHE A 18 -11.439 -15.494 16.971 1.00 0.00 C ATOM 256 CD2 PHE A 18 -12.855 -16.113 18.749 1.00 0.00 C ATOM 257 CE1 PHE A 18 -11.173 -14.256 17.614 1.00 0.00 C ATOM 258 CE2 PHE A 18 -12.590 -14.875 19.391 1.00 0.00 C ATOM 259 CZ PHE A 18 -11.754 -13.972 18.810 1.00 0.00 C ATOM 0 H PHE A 18 -13.874 -19.573 16.067 1.00 0.00 H new ATOM 0 HA PHE A 18 -14.164 -16.855 15.663 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -13.096 -18.379 17.552 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -11.613 -18.220 16.632 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -10.978 -15.719 16.021 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -13.518 -16.830 19.211 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -10.509 -13.540 17.153 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -13.052 -14.650 20.341 1.00 0.00 H new ATOM 0 HZ PHE A 18 -11.552 -13.030 19.299 1.00 0.00 H new ATOM 441 N ILE A 30 -5.597 -6.081 -10.292 1.00 0.00 N ATOM 442 CA ILE A 30 -6.604 -5.359 -9.533 1.00 0.00 C ATOM 443 C ILE A 30 -6.059 -5.049 -8.137 1.00 0.00 C ATOM 444 O ILE A 30 -6.479 -4.083 -7.503 1.00 0.00 O ATOM 445 CB ILE A 30 -7.923 -6.133 -9.520 1.00 0.00 C ATOM 446 CG1 ILE A 30 -9.027 -5.324 -8.835 1.00 0.00 C ATOM 447 CG2 ILE A 30 -7.744 -7.512 -8.883 1.00 0.00 C ATOM 448 CD1 ILE A 30 -8.959 -3.850 -9.242 1.00 0.00 C ATOM 0 HA ILE A 30 -6.827 -4.404 -10.008 1.00 0.00 H new ATOM 0 HB ILE A 30 -8.234 -6.294 -10.552 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -10.001 -5.734 -9.101 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -8.929 -5.411 -7.753 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -8.697 -8.041 -8.887 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -7.010 -8.083 -9.452 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -7.397 -7.396 -7.856 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -9.754 -3.297 -8.742 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -7.993 -3.437 -8.953 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -9.082 -3.765 -10.322 1.00 0.00 H new ATOM 460 N ALA A 31 -5.131 -5.888 -7.700 1.00 0.00 N ATOM 461 CA ALA A 31 -4.524 -5.716 -6.391 1.00 0.00 C ATOM 462 C ALA A 31 -3.692 -4.433 -6.384 1.00 0.00 C ATOM 463 O ALA A 31 -3.897 -3.560 -5.542 1.00 0.00 O ATOM 464 CB ALA A 31 -3.691 -6.953 -6.048 1.00 0.00 C ATOM 0 H ALA A 31 -4.785 -6.688 -8.229 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.291 -5.616 -5.623 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.236 -6.824 -5.066 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.334 -7.833 -6.037 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.909 -7.084 -6.796 1.00 0.00 H new ATOM 470 N GLY A 32 -2.769 -4.358 -7.332 1.00 0.00 N ATOM 471 CA GLY A 32 -1.905 -3.196 -7.446 1.00 0.00 C ATOM 472 C GLY A 32 -2.724 -1.922 -7.662 1.00 0.00 C ATOM 473 O GLY A 32 -2.486 -0.908 -7.007 1.00 0.00 O ATOM 0 H GLY A 32 -2.601 -5.084 -8.029 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.303 -3.096 -6.543 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.213 -3.333 -8.277 1.00 0.00 H new ATOM 477 N LEU A 33 -3.673 -2.016 -8.582 1.00 0.00 N ATOM 478 CA LEU A 33 -4.529 -0.884 -8.893 1.00 0.00 C ATOM 479 C LEU A 33 -5.219 -0.406 -7.614 1.00 0.00 C ATOM 480 O LEU A 33 -5.331 0.795 -7.376 1.00 0.00 O ATOM 481 CB LEU A 33 -5.500 -1.240 -10.020 1.00 0.00 C ATOM 482 CG LEU A 33 -6.593 -0.210 -10.313 1.00 0.00 C ATOM 483 CD1 LEU A 33 -6.269 0.587 -11.578 1.00 0.00 C ATOM 484 CD2 LEU A 33 -7.968 -0.877 -10.393 1.00 0.00 C ATOM 0 H LEU A 33 -3.868 -2.859 -9.122 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.936 -0.049 -9.267 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.925 -1.399 -10.932 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.978 -2.188 -9.775 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.626 0.498 -9.485 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.061 1.312 -11.764 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.322 1.110 -11.446 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.193 -0.093 -12.427 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.727 -0.123 -10.602 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.966 -1.620 -11.190 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.192 -1.364 -9.444 1.00 0.00 H new ATOM 496 N PHE A 34 -5.665 -1.372 -6.824 1.00 0.00 N ATOM 497 CA PHE A 34 -6.341 -1.066 -5.575 1.00 0.00 C ATOM 498 C PHE A 34 -5.429 -0.272 -4.638 1.00 0.00 C ATOM 499 O PHE A 34 -5.844 0.738 -4.070 1.00 0.00 O ATOM 500 CB PHE A 34 -6.691 -2.401 -4.916 1.00 0.00 C ATOM 501 CG PHE A 34 -7.644 -2.277 -3.725 1.00 0.00 C ATOM 502 CD1 PHE A 34 -7.151 -2.017 -2.484 1.00 0.00 C ATOM 503 CD2 PHE A 34 -8.983 -2.427 -3.907 1.00 0.00 C ATOM 504 CE1 PHE A 34 -8.035 -1.902 -1.379 1.00 0.00 C ATOM 505 CE2 PHE A 34 -9.867 -2.312 -2.802 1.00 0.00 C ATOM 506 CZ PHE A 34 -9.374 -2.051 -1.561 1.00 0.00 C ATOM 0 H PHE A 34 -5.571 -2.368 -7.025 1.00 0.00 H new ATOM 0 HA PHE A 34 -7.229 -0.464 -5.771 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -7.142 -3.055 -5.662 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -5.771 -2.882 -4.584 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -6.087 -1.898 -2.339 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -9.374 -2.634 -4.892 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -7.644 -1.696 -0.394 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -10.931 -2.432 -2.946 1.00 0.00 H new ATOM 0 HZ PHE A 34 -10.046 -1.962 -0.721 1.00 0.00 H new ATOM 516 N VAL A 35 -4.204 -0.758 -4.505 1.00 0.00 N ATOM 517 CA VAL A 35 -3.229 -0.106 -3.646 1.00 0.00 C ATOM 518 C VAL A 35 -3.003 1.326 -4.134 1.00 0.00 C ATOM 519 O VAL A 35 -2.827 2.240 -3.329 1.00 0.00 O ATOM 520 CB VAL A 35 -1.942 -0.931 -3.595 1.00 0.00 C ATOM 521 CG1 VAL A 35 -0.874 -0.229 -2.755 1.00 0.00 C ATOM 522 CG2 VAL A 35 -2.215 -2.341 -3.069 1.00 0.00 C ATOM 0 H VAL A 35 -3.864 -1.596 -4.977 1.00 0.00 H new ATOM 0 HA VAL A 35 -3.601 -0.046 -2.623 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.561 -1.022 -4.612 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.031 -0.837 -2.735 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.648 0.744 -3.192 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.242 -0.093 -1.738 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.283 -2.906 -3.043 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.631 -2.280 -2.063 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.926 -2.843 -3.726 1.00 0.00 H new ATOM 532 N GLY A 36 -3.015 1.478 -5.450 1.00 0.00 N ATOM 533 CA GLY A 36 -2.813 2.784 -6.055 1.00 0.00 C ATOM 534 C GLY A 36 -4.038 3.678 -5.849 1.00 0.00 C ATOM 535 O GLY A 36 -3.906 4.891 -5.694 1.00 0.00 O ATOM 0 H GLY A 36 -3.161 0.718 -6.115 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.934 3.259 -5.619 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.617 2.669 -7.121 1.00 0.00 H new ATOM 539 N CYS A 37 -5.201 3.045 -5.855 1.00 0.00 N ATOM 540 CA CYS A 37 -6.448 3.768 -5.672 1.00 0.00 C ATOM 541 C CYS A 37 -6.484 4.308 -4.241 1.00 0.00 C ATOM 542 O CYS A 37 -6.728 5.494 -4.027 1.00 0.00 O ATOM 543 CB CYS A 37 -7.662 2.890 -5.981 1.00 0.00 C ATOM 544 SG CYS A 37 -8.874 3.827 -6.981 1.00 0.00 S ATOM 0 H CYS A 37 -5.307 2.039 -5.984 1.00 0.00 H new ATOM 0 HA CYS A 37 -6.496 4.600 -6.375 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -7.347 1.996 -6.520 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -8.125 2.556 -5.053 1.00 0.00 H new ATOM 0 HG CYS A 37 -9.900 3.071 -7.240 1.00 0.00 H new ATOM 550 N LEU A 38 -6.236 3.411 -3.297 1.00 0.00 N ATOM 551 CA LEU A 38 -6.237 3.783 -1.893 1.00 0.00 C ATOM 552 C LEU A 38 -5.123 4.800 -1.638 1.00 0.00 C ATOM 553 O LEU A 38 -5.270 5.692 -0.804 1.00 0.00 O ATOM 554 CB LEU A 38 -6.146 2.537 -1.009 1.00 0.00 C ATOM 555 CG LEU A 38 -4.733 2.067 -0.656 1.00 0.00 C ATOM 556 CD1 LEU A 38 -4.056 3.040 0.311 1.00 0.00 C ATOM 557 CD2 LEU A 38 -4.752 0.637 -0.112 1.00 0.00 C ATOM 0 H LEU A 38 -6.033 2.428 -3.478 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.177 4.267 -1.628 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.684 2.733 -0.082 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.664 1.720 -1.512 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.138 2.057 -1.569 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.053 2.682 0.545 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.991 4.025 -0.150 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.641 3.107 1.228 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.736 0.327 0.131 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.368 0.598 0.786 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.166 -0.033 -0.865 1.00 0.00 H new ATOM 569 N ALA A 39 -4.033 4.632 -2.373 1.00 0.00 N ATOM 570 CA ALA A 39 -2.894 5.525 -2.237 1.00 0.00 C ATOM 571 C ALA A 39 -3.326 6.951 -2.583 1.00 0.00 C ATOM 572 O ALA A 39 -3.196 7.859 -1.763 1.00 0.00 O ATOM 573 CB ALA A 39 -1.749 5.031 -3.124 1.00 0.00 C ATOM 0 H ALA A 39 -3.914 3.891 -3.064 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.531 5.531 -1.209 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.895 5.701 -3.022 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.460 4.025 -2.819 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.075 5.015 -4.164 1.00 0.00 H new ATOM 579 N GLY A 40 -3.830 7.105 -3.798 1.00 0.00 N ATOM 580 CA GLY A 40 -4.282 8.405 -4.262 1.00 0.00 C ATOM 581 C GLY A 40 -5.501 8.879 -3.467 1.00 0.00 C ATOM 582 O GLY A 40 -5.419 9.852 -2.720 1.00 0.00 O ATOM 0 H GLY A 40 -3.935 6.350 -4.476 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.475 9.131 -4.164 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.533 8.350 -5.321 1.00 0.00 H new ATOM 768 N ASP A 52 4.801 11.060 -5.781 1.00 0.00 N ATOM 769 CA ASP A 52 3.758 10.647 -6.704 1.00 0.00 C ATOM 770 C ASP A 52 3.981 9.185 -7.098 1.00 0.00 C ATOM 771 O ASP A 52 3.172 8.319 -6.767 1.00 0.00 O ATOM 772 CB ASP A 52 3.786 11.490 -7.980 1.00 0.00 C ATOM 773 CG ASP A 52 2.597 11.281 -8.920 1.00 0.00 C ATOM 774 OD1 ASP A 52 1.683 10.496 -8.629 1.00 0.00 O ATOM 775 OD2 ASP A 52 2.633 11.975 -10.007 1.00 0.00 O ATOM 0 HA ASP A 52 2.797 10.778 -6.207 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.828 12.543 -7.701 1.00 0.00 H new ATOM 0 HB3 ASP A 52 4.704 11.267 -8.524 1.00 0.00 H new ATOM 780 N VAL A 53 5.082 8.956 -7.799 1.00 0.00 N ATOM 781 CA VAL A 53 5.421 7.614 -8.241 1.00 0.00 C ATOM 782 C VAL A 53 6.343 6.960 -7.210 1.00 0.00 C ATOM 783 O VAL A 53 6.533 5.745 -7.224 1.00 0.00 O ATOM 784 CB VAL A 53 6.032 7.664 -9.643 1.00 0.00 C ATOM 785 CG1 VAL A 53 6.192 6.257 -10.222 1.00 0.00 C ATOM 786 CG2 VAL A 53 5.199 8.548 -10.573 1.00 0.00 C ATOM 0 H VAL A 53 5.750 9.677 -8.072 1.00 0.00 H new ATOM 0 HA VAL A 53 4.525 6.998 -8.313 1.00 0.00 H new ATOM 0 HB VAL A 53 7.025 8.107 -9.560 1.00 0.00 H new ATOM 0 HG11 VAL A 53 6.628 6.321 -11.219 1.00 0.00 H new ATOM 0 HG12 VAL A 53 6.846 5.670 -9.577 1.00 0.00 H new ATOM 0 HG13 VAL A 53 5.216 5.776 -10.283 1.00 0.00 H new ATOM 0 HG21 VAL A 53 5.655 8.566 -11.563 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.188 8.147 -10.647 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.159 9.561 -10.173 1.00 0.00 H new ATOM 796 N LYS A 54 6.892 7.795 -6.340 1.00 0.00 N ATOM 797 CA LYS A 54 7.790 7.313 -5.304 1.00 0.00 C ATOM 798 C LYS A 54 7.065 6.270 -4.452 1.00 0.00 C ATOM 799 O LYS A 54 7.596 5.189 -4.202 1.00 0.00 O ATOM 800 CB LYS A 54 8.353 8.484 -4.496 1.00 0.00 C ATOM 801 CG LYS A 54 9.642 9.015 -5.126 1.00 0.00 C ATOM 802 CD LYS A 54 10.842 8.768 -4.210 1.00 0.00 C ATOM 803 CE LYS A 54 12.097 8.447 -5.025 1.00 0.00 C ATOM 804 NZ LYS A 54 13.245 8.186 -4.128 1.00 0.00 N ATOM 0 H LYS A 54 6.732 8.802 -6.331 1.00 0.00 H new ATOM 0 HA LYS A 54 8.654 6.818 -5.748 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.614 9.283 -4.444 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.549 8.164 -3.473 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.808 8.529 -6.088 1.00 0.00 H new ATOM 0 HG3 LYS A 54 9.543 10.083 -5.321 1.00 0.00 H new ATOM 0 HD2 LYS A 54 11.020 9.649 -3.593 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.623 7.943 -3.532 1.00 0.00 H new ATOM 0 HE2 LYS A 54 11.915 7.577 -5.656 1.00 0.00 H new ATOM 0 HE3 LYS A 54 12.329 9.279 -5.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 14.088 7.970 -4.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 13.428 9.027 -3.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 13.027 7.377 -3.511 1.00 0.00 H new ATOM 818 N VAL A 55 5.862 6.630 -4.029 1.00 0.00 N ATOM 819 CA VAL A 55 5.058 5.739 -3.210 1.00 0.00 C ATOM 820 C VAL A 55 4.678 4.504 -4.030 1.00 0.00 C ATOM 821 O VAL A 55 4.563 3.406 -3.487 1.00 0.00 O ATOM 822 CB VAL A 55 3.843 6.487 -2.659 1.00 0.00 C ATOM 823 CG1 VAL A 55 2.768 6.654 -3.734 1.00 0.00 C ATOM 824 CG2 VAL A 55 3.279 5.783 -1.423 1.00 0.00 C ATOM 0 H VAL A 55 5.424 7.527 -4.238 1.00 0.00 H new ATOM 0 HA VAL A 55 5.629 5.395 -2.348 1.00 0.00 H new ATOM 0 HB VAL A 55 4.171 7.482 -2.357 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.915 7.189 -3.316 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.176 7.220 -4.572 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.446 5.673 -4.082 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.416 6.336 -1.052 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.975 4.770 -1.688 1.00 0.00 H new ATOM 0 HG23 VAL A 55 4.044 5.741 -0.648 1.00 0.00 H new ATOM 834 N SER A 56 4.495 4.725 -5.323 1.00 0.00 N ATOM 835 CA SER A 56 4.130 3.644 -6.223 1.00 0.00 C ATOM 836 C SER A 56 5.153 2.511 -6.121 1.00 0.00 C ATOM 837 O SER A 56 4.804 1.385 -5.769 1.00 0.00 O ATOM 838 CB SER A 56 4.030 4.140 -7.667 1.00 0.00 C ATOM 839 OG SER A 56 2.910 3.580 -8.347 1.00 0.00 O ATOM 0 H SER A 56 4.593 5.637 -5.769 1.00 0.00 H new ATOM 0 HA SER A 56 3.150 3.269 -5.927 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.951 5.227 -7.672 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.944 3.884 -8.202 1.00 0.00 H new ATOM 0 HG SER A 56 2.929 3.853 -9.288 1.00 0.00 H new ATOM 845 N LEU A 57 6.395 2.847 -6.434 1.00 0.00 N ATOM 846 CA LEU A 57 7.471 1.872 -6.382 1.00 0.00 C ATOM 847 C LEU A 57 7.646 1.388 -4.941 1.00 0.00 C ATOM 848 O LEU A 57 7.439 0.212 -4.648 1.00 0.00 O ATOM 849 CB LEU A 57 8.748 2.449 -6.996 1.00 0.00 C ATOM 850 CG LEU A 57 9.905 1.466 -7.185 1.00 0.00 C ATOM 851 CD1 LEU A 57 10.368 1.437 -8.642 1.00 0.00 C ATOM 852 CD2 LEU A 57 11.054 1.781 -6.224 1.00 0.00 C ATOM 0 H LEU A 57 6.681 3.782 -6.725 1.00 0.00 H new ATOM 0 HA LEU A 57 7.222 0.998 -6.984 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.499 2.877 -7.967 1.00 0.00 H new ATOM 0 HB3 LEU A 57 9.093 3.268 -6.365 1.00 0.00 H new ATOM 0 HG LEU A 57 9.547 0.466 -6.942 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.191 0.730 -8.748 1.00 0.00 H new ATOM 0 HD12 LEU A 57 9.540 1.129 -9.281 1.00 0.00 H new ATOM 0 HD13 LEU A 57 10.703 2.431 -8.937 1.00 0.00 H new ATOM 0 HD21 LEU A 57 11.864 1.068 -6.379 1.00 0.00 H new ATOM 0 HD22 LEU A 57 11.419 2.791 -6.412 1.00 0.00 H new ATOM 0 HD23 LEU A 57 10.699 1.709 -5.196 1.00 0.00 H new ATOM 864 N PHE A 58 8.024 2.321 -4.080 1.00 0.00 N ATOM 865 CA PHE A 58 8.229 2.005 -2.676 1.00 0.00 C ATOM 866 C PHE A 58 7.142 1.058 -2.163 1.00 0.00 C ATOM 867 O PHE A 58 7.414 0.177 -1.350 1.00 0.00 O ATOM 868 CB PHE A 58 8.147 3.323 -1.904 1.00 0.00 C ATOM 869 CG PHE A 58 9.490 4.041 -1.754 1.00 0.00 C ATOM 870 CD1 PHE A 58 10.125 4.532 -2.852 1.00 0.00 C ATOM 871 CD2 PHE A 58 10.049 4.188 -0.523 1.00 0.00 C ATOM 872 CE1 PHE A 58 11.371 5.198 -2.713 1.00 0.00 C ATOM 873 CE2 PHE A 58 11.295 4.854 -0.384 1.00 0.00 C ATOM 874 CZ PHE A 58 11.930 5.345 -1.482 1.00 0.00 C ATOM 0 H PHE A 58 8.194 3.296 -4.327 1.00 0.00 H new ATOM 0 HA PHE A 58 9.193 1.515 -2.542 1.00 0.00 H new ATOM 0 HB2 PHE A 58 7.447 3.986 -2.411 1.00 0.00 H new ATOM 0 HB3 PHE A 58 7.739 3.127 -0.913 1.00 0.00 H new ATOM 0 HD1 PHE A 58 9.681 4.415 -3.830 1.00 0.00 H new ATOM 0 HD2 PHE A 58 9.545 3.798 0.349 1.00 0.00 H new ATOM 0 HE1 PHE A 58 11.875 5.588 -3.585 1.00 0.00 H new ATOM 0 HE2 PHE A 58 11.739 4.971 0.594 1.00 0.00 H new ATOM 0 HZ PHE A 58 12.878 5.852 -1.376 1.00 0.00 H new ATOM 884 N THR A 59 5.932 1.273 -2.660 1.00 0.00 N ATOM 885 CA THR A 59 4.803 0.450 -2.262 1.00 0.00 C ATOM 886 C THR A 59 4.981 -0.982 -2.771 1.00 0.00 C ATOM 887 O THR A 59 5.005 -1.926 -1.983 1.00 0.00 O ATOM 888 CB THR A 59 3.526 1.122 -2.771 1.00 0.00 C ATOM 889 OG1 THR A 59 3.307 2.191 -1.855 1.00 0.00 O ATOM 890 CG2 THR A 59 2.292 0.232 -2.609 1.00 0.00 C ATOM 0 H THR A 59 5.710 2.005 -3.334 1.00 0.00 H new ATOM 0 HA THR A 59 4.735 0.369 -1.177 1.00 0.00 H new ATOM 0 HB THR A 59 3.648 1.385 -3.822 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.925 2.925 -2.054 1.00 0.00 H new ATOM 0 HG21 THR A 59 1.413 0.756 -2.985 1.00 0.00 H new ATOM 0 HG22 THR A 59 2.433 -0.691 -3.172 1.00 0.00 H new ATOM 0 HG23 THR A 59 2.150 -0.004 -1.554 1.00 0.00 H new ATOM 898 N ALA A 60 5.101 -1.098 -4.085 1.00 0.00 N ATOM 899 CA ALA A 60 5.275 -2.399 -4.709 1.00 0.00 C ATOM 900 C ALA A 60 6.368 -3.172 -3.967 1.00 0.00 C ATOM 901 O ALA A 60 6.218 -4.364 -3.701 1.00 0.00 O ATOM 902 CB ALA A 60 5.597 -2.215 -6.193 1.00 0.00 C ATOM 0 H ALA A 60 5.081 -0.312 -4.735 1.00 0.00 H new ATOM 0 HA ALA A 60 4.356 -2.982 -4.645 1.00 0.00 H new ATOM 0 HB1 ALA A 60 5.727 -3.191 -6.661 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.778 -1.686 -6.680 1.00 0.00 H new ATOM 0 HB3 ALA A 60 6.515 -1.637 -6.297 1.00 0.00 H new ATOM 908 N PHE A 61 7.442 -2.463 -3.654 1.00 0.00 N ATOM 909 CA PHE A 61 8.559 -3.067 -2.948 1.00 0.00 C ATOM 910 C PHE A 61 8.147 -3.504 -1.541 1.00 0.00 C ATOM 911 O PHE A 61 8.526 -4.581 -1.085 1.00 0.00 O ATOM 912 CB PHE A 61 9.650 -2.001 -2.840 1.00 0.00 C ATOM 913 CG PHE A 61 11.059 -2.520 -3.130 1.00 0.00 C ATOM 914 CD1 PHE A 61 11.611 -3.473 -2.331 1.00 0.00 C ATOM 915 CD2 PHE A 61 11.761 -2.030 -4.187 1.00 0.00 C ATOM 916 CE1 PHE A 61 12.919 -3.955 -2.600 1.00 0.00 C ATOM 917 CE2 PHE A 61 13.069 -2.513 -4.457 1.00 0.00 C ATOM 918 CZ PHE A 61 13.620 -3.465 -3.657 1.00 0.00 C ATOM 0 H PHE A 61 7.563 -1.475 -3.877 1.00 0.00 H new ATOM 0 HA PHE A 61 8.905 -3.949 -3.486 1.00 0.00 H new ATOM 0 HB2 PHE A 61 9.422 -1.192 -3.534 1.00 0.00 H new ATOM 0 HB3 PHE A 61 9.630 -1.576 -1.836 1.00 0.00 H new ATOM 0 HD1 PHE A 61 11.054 -3.863 -1.492 1.00 0.00 H new ATOM 0 HD2 PHE A 61 11.323 -1.273 -4.821 1.00 0.00 H new ATOM 0 HE1 PHE A 61 13.357 -4.711 -1.965 1.00 0.00 H new ATOM 0 HE2 PHE A 61 13.626 -2.125 -5.297 1.00 0.00 H new ATOM 0 HZ PHE A 61 14.615 -3.832 -3.861 1.00 0.00 H new ATOM 928 N PHE A 62 7.376 -2.643 -0.892 1.00 0.00 N ATOM 929 CA PHE A 62 6.908 -2.926 0.455 1.00 0.00 C ATOM 930 C PHE A 62 5.924 -4.098 0.458 1.00 0.00 C ATOM 931 O PHE A 62 6.214 -5.156 1.014 1.00 0.00 O ATOM 932 CB PHE A 62 6.190 -1.670 0.952 1.00 0.00 C ATOM 933 CG PHE A 62 6.413 -1.372 2.436 1.00 0.00 C ATOM 934 CD1 PHE A 62 7.482 -0.629 2.827 1.00 0.00 C ATOM 935 CD2 PHE A 62 5.541 -1.851 3.364 1.00 0.00 C ATOM 936 CE1 PHE A 62 7.689 -0.352 4.205 1.00 0.00 C ATOM 937 CE2 PHE A 62 5.748 -1.575 4.741 1.00 0.00 C ATOM 938 CZ PHE A 62 6.817 -0.831 5.133 1.00 0.00 C ATOM 0 H PHE A 62 7.064 -1.750 -1.273 1.00 0.00 H new ATOM 0 HA PHE A 62 7.750 -3.192 1.094 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.527 -0.815 0.366 1.00 0.00 H new ATOM 0 HB3 PHE A 62 5.121 -1.779 0.771 1.00 0.00 H new ATOM 0 HD1 PHE A 62 8.174 -0.249 2.090 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.692 -2.441 3.053 1.00 0.00 H new ATOM 0 HE1 PHE A 62 8.538 0.239 4.516 1.00 0.00 H new ATOM 0 HE2 PHE A 62 5.056 -1.956 5.478 1.00 0.00 H new ATOM 0 HZ PHE A 62 6.974 -0.621 6.181 1.00 0.00 H new ATOM 948 N LEU A 63 4.779 -3.869 -0.168 1.00 0.00 N ATOM 949 CA LEU A 63 3.750 -4.892 -0.244 1.00 0.00 C ATOM 950 C LEU A 63 4.397 -6.235 -0.585 1.00 0.00 C ATOM 951 O LEU A 63 4.043 -7.263 -0.008 1.00 0.00 O ATOM 952 CB LEU A 63 2.649 -4.473 -1.221 1.00 0.00 C ATOM 953 CG LEU A 63 1.282 -5.128 -1.012 1.00 0.00 C ATOM 954 CD1 LEU A 63 0.410 -4.289 -0.077 1.00 0.00 C ATOM 955 CD2 LEU A 63 0.593 -5.397 -2.352 1.00 0.00 C ATOM 0 H LEU A 63 4.541 -2.990 -0.627 1.00 0.00 H new ATOM 0 HA LEU A 63 3.258 -5.011 0.722 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.525 -3.392 -1.156 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.985 -4.695 -2.234 1.00 0.00 H new ATOM 0 HG LEU A 63 1.435 -6.093 -0.529 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.556 -4.777 0.055 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.903 -4.192 0.890 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.261 -3.299 -0.509 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.377 -5.863 -2.176 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.452 -4.456 -2.884 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.212 -6.064 -2.952 1.00 0.00 H new ATOM 967 N ALA A 64 5.333 -6.185 -1.520 1.00 0.00 N ATOM 968 CA ALA A 64 6.033 -7.385 -1.945 1.00 0.00 C ATOM 969 C ALA A 64 6.779 -7.984 -0.751 1.00 0.00 C ATOM 970 O ALA A 64 6.682 -9.183 -0.492 1.00 0.00 O ATOM 971 CB ALA A 64 6.968 -7.047 -3.107 1.00 0.00 C ATOM 0 H ALA A 64 5.624 -5.331 -1.996 1.00 0.00 H new ATOM 0 HA ALA A 64 5.327 -8.135 -2.303 1.00 0.00 H new ATOM 0 HB1 ALA A 64 7.493 -7.948 -3.425 1.00 0.00 H new ATOM 0 HB2 ALA A 64 6.386 -6.653 -3.940 1.00 0.00 H new ATOM 0 HB3 ALA A 64 7.693 -6.299 -2.785 1.00 0.00 H new ATOM 977 N THR A 65 7.508 -7.123 -0.057 1.00 0.00 N ATOM 978 CA THR A 65 8.271 -7.552 1.103 1.00 0.00 C ATOM 979 C THR A 65 7.333 -7.880 2.267 1.00 0.00 C ATOM 980 O THR A 65 7.764 -8.426 3.281 1.00 0.00 O ATOM 981 CB THR A 65 9.287 -6.457 1.433 1.00 0.00 C ATOM 982 OG1 THR A 65 10.403 -7.167 1.964 1.00 0.00 O ATOM 983 CG2 THR A 65 8.831 -5.562 2.587 1.00 0.00 C ATOM 0 H THR A 65 7.587 -6.130 -0.276 1.00 0.00 H new ATOM 0 HA THR A 65 8.818 -8.472 0.897 1.00 0.00 H new ATOM 0 HB THR A 65 9.461 -5.846 0.547 1.00 0.00 H new ATOM 0 HG1 THR A 65 11.111 -6.533 2.203 1.00 0.00 H new ATOM 0 HG21 THR A 65 9.589 -4.802 2.780 1.00 0.00 H new ATOM 0 HG22 THR A 65 7.891 -5.078 2.322 1.00 0.00 H new ATOM 0 HG23 THR A 65 8.688 -6.167 3.482 1.00 0.00 H new ATOM 991 N ILE A 66 6.067 -7.533 2.081 1.00 0.00 N ATOM 992 CA ILE A 66 5.065 -7.784 3.102 1.00 0.00 C ATOM 993 C ILE A 66 4.449 -9.166 2.878 1.00 0.00 C ATOM 994 O ILE A 66 4.689 -10.090 3.653 1.00 0.00 O ATOM 995 CB ILE A 66 4.038 -6.650 3.134 1.00 0.00 C ATOM 996 CG1 ILE A 66 4.680 -5.341 3.599 1.00 0.00 C ATOM 997 CG2 ILE A 66 2.828 -7.031 3.990 1.00 0.00 C ATOM 998 CD1 ILE A 66 4.763 -5.284 5.126 1.00 0.00 C ATOM 0 H ILE A 66 5.713 -7.080 1.238 1.00 0.00 H new ATOM 0 HA ILE A 66 5.523 -7.796 4.091 1.00 0.00 H new ATOM 0 HB ILE A 66 3.676 -6.488 2.119 1.00 0.00 H new ATOM 0 HG12 ILE A 66 5.679 -5.250 3.173 1.00 0.00 H new ATOM 0 HG13 ILE A 66 4.099 -4.496 3.231 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.113 -6.208 3.996 1.00 0.00 H new ATOM 0 HG22 ILE A 66 2.354 -7.920 3.575 1.00 0.00 H new ATOM 0 HG23 ILE A 66 3.154 -7.236 5.010 1.00 0.00 H new ATOM 0 HD11 ILE A 66 5.223 -4.344 5.431 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.760 -5.351 5.548 1.00 0.00 H new ATOM 0 HD13 ILE A 66 5.365 -6.117 5.489 1.00 0.00 H new ATOM 1010 N MET A 67 3.666 -9.264 1.813 1.00 0.00 N ATOM 1011 CA MET A 67 3.014 -10.518 1.477 1.00 0.00 C ATOM 1012 C MET A 67 4.022 -11.531 0.931 1.00 0.00 C ATOM 1013 O MET A 67 3.997 -12.702 1.307 1.00 0.00 O ATOM 1014 CB MET A 67 1.927 -10.263 0.430 1.00 0.00 C ATOM 1015 CG MET A 67 0.609 -9.861 1.094 1.00 0.00 C ATOM 1016 SD MET A 67 0.669 -8.145 1.580 1.00 0.00 S ATOM 1017 CE MET A 67 -0.822 -8.047 2.557 1.00 0.00 C ATOM 0 H MET A 67 3.469 -8.495 1.172 1.00 0.00 H new ATOM 0 HA MET A 67 2.569 -10.929 2.383 1.00 0.00 H new ATOM 0 HB2 MET A 67 2.250 -9.475 -0.251 1.00 0.00 H new ATOM 0 HB3 MET A 67 1.777 -11.161 -0.170 1.00 0.00 H new ATOM 0 HG2 MET A 67 -0.219 -10.023 0.405 1.00 0.00 H new ATOM 0 HG3 MET A 67 0.426 -10.488 1.966 1.00 0.00 H new ATOM 0 HE1 MET A 67 -0.939 -7.034 2.941 1.00 0.00 H new ATOM 0 HE2 MET A 67 -1.681 -8.302 1.936 1.00 0.00 H new ATOM 0 HE3 MET A 67 -0.757 -8.746 3.391 1.00 0.00 H new ATOM 1027 N GLY A 68 4.885 -11.044 0.052 1.00 0.00 N ATOM 1028 CA GLY A 68 5.900 -11.892 -0.550 1.00 0.00 C ATOM 1029 C GLY A 68 5.506 -12.293 -1.973 1.00 0.00 C ATOM 1030 O GLY A 68 6.047 -13.250 -2.524 1.00 0.00 O ATOM 0 H GLY A 68 4.902 -10.072 -0.258 1.00 0.00 H new ATOM 0 HA2 GLY A 68 6.855 -11.366 -0.568 1.00 0.00 H new ATOM 0 HA3 GLY A 68 6.040 -12.786 0.058 1.00 0.00 H new ATOM 1245 N ALA A 80 3.120 -9.365 -10.709 1.00 0.00 N ATOM 1246 CA ALA A 80 2.736 -8.660 -11.920 1.00 0.00 C ATOM 1247 C ALA A 80 1.896 -7.437 -11.548 1.00 0.00 C ATOM 1248 O ALA A 80 2.280 -6.305 -11.837 1.00 0.00 O ATOM 1249 CB ALA A 80 1.991 -9.617 -12.853 1.00 0.00 C ATOM 0 HA ALA A 80 3.618 -8.305 -12.453 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.703 -9.088 -13.762 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.641 -10.454 -13.110 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.098 -9.992 -12.352 1.00 0.00 H new ATOM 1255 N GLY A 81 0.765 -7.706 -10.913 1.00 0.00 N ATOM 1256 CA GLY A 81 -0.132 -6.641 -10.498 1.00 0.00 C ATOM 1257 C GLY A 81 0.587 -5.639 -9.593 1.00 0.00 C ATOM 1258 O GLY A 81 0.188 -4.479 -9.505 1.00 0.00 O ATOM 0 H GLY A 81 0.449 -8.646 -10.676 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.523 -6.127 -11.376 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -0.986 -7.065 -9.970 1.00 0.00 H new ATOM 1262 N LEU A 82 1.635 -6.124 -8.942 1.00 0.00 N ATOM 1263 CA LEU A 82 2.413 -5.286 -8.047 1.00 0.00 C ATOM 1264 C LEU A 82 3.001 -4.113 -8.835 1.00 0.00 C ATOM 1265 O LEU A 82 2.434 -3.022 -8.846 1.00 0.00 O ATOM 1266 CB LEU A 82 3.464 -6.119 -7.310 1.00 0.00 C ATOM 1267 CG LEU A 82 4.255 -5.391 -6.222 1.00 0.00 C ATOM 1268 CD1 LEU A 82 3.747 -5.769 -4.829 1.00 0.00 C ATOM 1269 CD2 LEU A 82 5.756 -5.645 -6.373 1.00 0.00 C ATOM 0 H LEU A 82 1.963 -7.087 -9.017 1.00 0.00 H new ATOM 0 HA LEU A 82 1.774 -4.862 -7.272 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.967 -6.977 -6.857 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.169 -6.510 -8.044 1.00 0.00 H new ATOM 0 HG LEU A 82 4.096 -4.319 -6.343 1.00 0.00 H new ATOM 0 HD11 LEU A 82 4.326 -5.238 -4.074 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.696 -5.496 -4.739 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.857 -6.843 -4.681 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.295 -5.116 -5.587 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.954 -6.714 -6.293 1.00 0.00 H new ATOM 0 HD23 LEU A 82 6.090 -5.286 -7.347 1.00 0.00 H new ATOM 1281 N VAL A 83 4.129 -4.379 -9.476 1.00 0.00 N ATOM 1282 CA VAL A 83 4.800 -3.360 -10.266 1.00 0.00 C ATOM 1283 C VAL A 83 3.822 -2.795 -11.298 1.00 0.00 C ATOM 1284 O VAL A 83 3.741 -1.582 -11.483 1.00 0.00 O ATOM 1285 CB VAL A 83 6.068 -3.937 -10.897 1.00 0.00 C ATOM 1286 CG1 VAL A 83 7.245 -3.872 -9.920 1.00 0.00 C ATOM 1287 CG2 VAL A 83 5.837 -5.369 -11.382 1.00 0.00 C ATOM 0 H VAL A 83 4.596 -5.286 -9.465 1.00 0.00 H new ATOM 0 HA VAL A 83 5.117 -2.532 -9.632 1.00 0.00 H new ATOM 0 HB VAL A 83 6.318 -3.326 -11.764 1.00 0.00 H new ATOM 0 HG11 VAL A 83 8.134 -4.288 -10.393 1.00 0.00 H new ATOM 0 HG12 VAL A 83 7.433 -2.834 -9.645 1.00 0.00 H new ATOM 0 HG13 VAL A 83 7.007 -4.447 -9.025 1.00 0.00 H new ATOM 0 HG21 VAL A 83 6.754 -5.755 -11.826 1.00 0.00 H new ATOM 0 HG22 VAL A 83 5.550 -5.997 -10.539 1.00 0.00 H new ATOM 0 HG23 VAL A 83 5.042 -5.377 -12.127 1.00 0.00 H new ATOM 1297 N ALA A 84 3.104 -3.702 -11.944 1.00 0.00 N ATOM 1298 CA ALA A 84 2.135 -3.310 -12.953 1.00 0.00 C ATOM 1299 C ALA A 84 1.152 -2.306 -12.347 1.00 0.00 C ATOM 1300 O ALA A 84 0.633 -1.439 -13.049 1.00 0.00 O ATOM 1301 CB ALA A 84 1.433 -4.555 -13.499 1.00 0.00 C ATOM 0 H ALA A 84 3.174 -4.708 -11.788 1.00 0.00 H new ATOM 0 HA ALA A 84 2.631 -2.821 -13.792 1.00 0.00 H new ATOM 0 HB1 ALA A 84 0.706 -4.260 -14.256 1.00 0.00 H new ATOM 0 HB2 ALA A 84 2.171 -5.223 -13.945 1.00 0.00 H new ATOM 0 HB3 ALA A 84 0.922 -5.070 -12.686 1.00 0.00 H new ATOM 1307 N GLY A 85 0.927 -2.456 -11.050 1.00 0.00 N ATOM 1308 CA GLY A 85 0.015 -1.573 -10.342 1.00 0.00 C ATOM 1309 C GLY A 85 0.639 -0.191 -10.137 1.00 0.00 C ATOM 1310 O GLY A 85 0.002 0.827 -10.400 1.00 0.00 O ATOM 0 H GLY A 85 1.360 -3.175 -10.471 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.914 -1.477 -10.904 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.241 -2.007 -9.376 1.00 0.00 H new ATOM 1314 N LEU A 86 1.879 -0.200 -9.668 1.00 0.00 N ATOM 1315 CA LEU A 86 2.596 1.040 -9.425 1.00 0.00 C ATOM 1316 C LEU A 86 2.578 1.892 -10.695 1.00 0.00 C ATOM 1317 O LEU A 86 2.369 3.103 -10.632 1.00 0.00 O ATOM 1318 CB LEU A 86 4.003 0.750 -8.898 1.00 0.00 C ATOM 1319 CG LEU A 86 5.125 0.763 -9.939 1.00 0.00 C ATOM 1320 CD1 LEU A 86 5.546 2.196 -10.273 1.00 0.00 C ATOM 1321 CD2 LEU A 86 6.308 -0.090 -9.480 1.00 0.00 C ATOM 0 H LEU A 86 2.405 -1.046 -9.450 1.00 0.00 H new ATOM 0 HA LEU A 86 2.102 1.620 -8.646 1.00 0.00 H new ATOM 0 HB2 LEU A 86 4.240 1.485 -8.128 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.994 -0.227 -8.414 1.00 0.00 H new ATOM 0 HG LEU A 86 4.744 0.317 -10.858 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.344 2.177 -11.015 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.692 2.742 -10.673 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.902 2.691 -9.369 1.00 0.00 H new ATOM 0 HD21 LEU A 86 7.091 -0.064 -10.238 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.698 0.304 -8.541 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.979 -1.119 -9.333 1.00 0.00 H new ATOM 1333 N SER A 87 2.799 1.226 -11.819 1.00 0.00 N ATOM 1334 CA SER A 87 2.811 1.908 -13.103 1.00 0.00 C ATOM 1335 C SER A 87 1.405 2.401 -13.446 1.00 0.00 C ATOM 1336 O SER A 87 1.209 3.582 -13.730 1.00 0.00 O ATOM 1337 CB SER A 87 3.337 0.990 -14.209 1.00 0.00 C ATOM 1338 OG SER A 87 4.727 0.715 -14.058 1.00 0.00 O ATOM 0 H SER A 87 2.971 0.222 -11.868 1.00 0.00 H new ATOM 0 HA SER A 87 3.481 2.764 -13.030 1.00 0.00 H new ATOM 0 HB2 SER A 87 2.779 0.054 -14.199 1.00 0.00 H new ATOM 0 HB3 SER A 87 3.163 1.455 -15.179 1.00 0.00 H new ATOM 0 HG SER A 87 5.024 0.125 -14.782 1.00 0.00 H new ATOM 1344 N LEU A 88 0.461 1.472 -13.410 1.00 0.00 N ATOM 1345 CA LEU A 88 -0.922 1.798 -13.714 1.00 0.00 C ATOM 1346 C LEU A 88 -1.378 2.952 -12.819 1.00 0.00 C ATOM 1347 O LEU A 88 -2.306 3.682 -13.165 1.00 0.00 O ATOM 1348 CB LEU A 88 -1.803 0.551 -13.605 1.00 0.00 C ATOM 1349 CG LEU A 88 -2.393 0.031 -14.917 1.00 0.00 C ATOM 1350 CD1 LEU A 88 -3.359 1.049 -15.526 1.00 0.00 C ATOM 1351 CD2 LEU A 88 -1.286 -0.365 -15.897 1.00 0.00 C ATOM 0 H LEU A 88 0.627 0.493 -13.175 1.00 0.00 H new ATOM 0 HA LEU A 88 -1.015 2.137 -14.746 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.214 -0.247 -13.153 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.624 0.769 -12.921 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.968 -0.869 -14.699 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.764 0.654 -16.458 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.174 1.240 -14.828 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.828 1.980 -15.727 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.732 -0.731 -16.821 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.664 0.504 -16.114 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.672 -1.150 -15.455 1.00 0.00 H new ATOM 1363 N MET A 89 -0.705 3.082 -11.685 1.00 0.00 N ATOM 1364 CA MET A 89 -1.029 4.136 -10.738 1.00 0.00 C ATOM 1365 C MET A 89 -0.513 5.490 -11.228 1.00 0.00 C ATOM 1366 O MET A 89 -1.298 6.406 -11.473 1.00 0.00 O ATOM 1367 CB MET A 89 -0.404 3.811 -9.380 1.00 0.00 C ATOM 1368 CG MET A 89 -0.896 4.782 -8.305 1.00 0.00 C ATOM 1369 SD MET A 89 0.493 5.615 -7.553 1.00 0.00 S ATOM 1370 CE MET A 89 0.625 7.031 -8.630 1.00 0.00 C ATOM 0 H MET A 89 0.064 2.475 -11.400 1.00 0.00 H new ATOM 0 HA MET A 89 -2.113 4.195 -10.644 1.00 0.00 H new ATOM 0 HB2 MET A 89 -0.655 2.789 -9.095 1.00 0.00 H new ATOM 0 HB3 MET A 89 0.682 3.864 -9.453 1.00 0.00 H new ATOM 0 HG2 MET A 89 -1.574 5.513 -8.746 1.00 0.00 H new ATOM 0 HG3 MET A 89 -1.461 4.241 -7.546 1.00 0.00 H new ATOM 0 HE1 MET A 89 1.510 6.929 -9.259 1.00 0.00 H new ATOM 0 HE2 MET A 89 -0.262 7.093 -9.260 1.00 0.00 H new ATOM 0 HE3 MET A 89 0.709 7.938 -8.031 1.00 0.00 H new ATOM 1380 N MET A 90 0.803 5.576 -11.355 1.00 0.00 N ATOM 1381 CA MET A 90 1.432 6.803 -11.811 1.00 0.00 C ATOM 1382 C MET A 90 0.872 7.236 -13.167 1.00 0.00 C ATOM 1383 O MET A 90 0.972 8.404 -13.540 1.00 0.00 O ATOM 1384 CB MET A 90 2.943 6.590 -11.927 1.00 0.00 C ATOM 1385 CG MET A 90 3.295 5.851 -13.219 1.00 0.00 C ATOM 1386 SD MET A 90 4.038 6.979 -14.386 1.00 0.00 S ATOM 1387 CE MET A 90 4.732 5.813 -15.545 1.00 0.00 C ATOM 0 H MET A 90 1.451 4.815 -11.150 1.00 0.00 H new ATOM 0 HA MET A 90 1.221 7.588 -11.085 1.00 0.00 H new ATOM 0 HB2 MET A 90 3.452 7.553 -11.905 1.00 0.00 H new ATOM 0 HB3 MET A 90 3.300 6.020 -11.069 1.00 0.00 H new ATOM 0 HG2 MET A 90 3.982 5.033 -13.004 1.00 0.00 H new ATOM 0 HG3 MET A 90 2.397 5.408 -13.650 1.00 0.00 H new ATOM 0 HE1 MET A 90 5.810 5.961 -15.609 1.00 0.00 H new ATOM 0 HE2 MET A 90 4.525 4.797 -15.208 1.00 0.00 H new ATOM 0 HE3 MET A 90 4.286 5.967 -16.527 1.00 0.00 H new ATOM 1397 N ILE A 91 0.296 6.271 -13.869 1.00 0.00 N ATOM 1398 CA ILE A 91 -0.281 6.538 -15.176 1.00 0.00 C ATOM 1399 C ILE A 91 -1.721 7.026 -15.004 1.00 0.00 C ATOM 1400 O ILE A 91 -2.158 7.939 -15.701 1.00 0.00 O ATOM 1401 CB ILE A 91 -0.151 5.310 -16.079 1.00 0.00 C ATOM 1402 CG1 ILE A 91 1.252 5.220 -16.683 1.00 0.00 C ATOM 1403 CG2 ILE A 91 -1.239 5.303 -17.155 1.00 0.00 C ATOM 1404 CD1 ILE A 91 1.568 3.789 -17.125 1.00 0.00 C ATOM 0 H ILE A 91 0.216 5.303 -13.557 1.00 0.00 H new ATOM 0 HA ILE A 91 0.267 7.335 -15.679 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.297 4.419 -15.468 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.328 5.893 -17.537 1.00 0.00 H new ATOM 0 HG13 ILE A 91 1.989 5.549 -15.951 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.124 4.420 -17.783 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.220 5.285 -16.680 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.149 6.199 -17.769 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.571 3.753 -17.551 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.515 3.122 -16.264 1.00 0.00 H new ATOM 0 HD13 ILE A 91 0.844 3.472 -17.875 1.00 0.00 H new ATOM 1416 N LEU A 92 -2.418 6.394 -14.071 1.00 0.00 N ATOM 1417 CA LEU A 92 -3.800 6.751 -13.799 1.00 0.00 C ATOM 1418 C LEU A 92 -3.854 8.181 -13.256 1.00 0.00 C ATOM 1419 O LEU A 92 -4.855 8.875 -13.426 1.00 0.00 O ATOM 1420 CB LEU A 92 -4.449 5.718 -12.875 1.00 0.00 C ATOM 1421 CG LEU A 92 -5.461 6.263 -11.866 1.00 0.00 C ATOM 1422 CD1 LEU A 92 -6.333 5.139 -11.303 1.00 0.00 C ATOM 1423 CD2 LEU A 92 -4.761 7.054 -10.759 1.00 0.00 C ATOM 0 H LEU A 92 -2.051 5.637 -13.494 1.00 0.00 H new ATOM 0 HA LEU A 92 -4.386 6.735 -14.718 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -4.948 4.970 -13.492 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -3.660 5.204 -12.326 1.00 0.00 H new ATOM 0 HG LEU A 92 -6.123 6.955 -12.386 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -7.044 5.553 -10.588 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -6.875 4.657 -12.116 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -5.702 4.405 -10.803 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -5.504 7.430 -10.055 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -4.061 6.404 -10.235 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -4.219 7.892 -11.197 1.00 0.00 H new ATOM 1435 N ARG A 93 -2.765 8.579 -12.615 1.00 0.00 N ATOM 1436 CA ARG A 93 -2.677 9.913 -12.046 1.00 0.00 C ATOM 1437 C ARG A 93 -2.161 10.902 -13.093 1.00 0.00 C ATOM 1438 O ARG A 93 -2.743 11.969 -13.283 1.00 0.00 O ATOM 1439 CB ARG A 93 -1.745 9.934 -10.833 1.00 0.00 C ATOM 1440 CG ARG A 93 -2.544 9.926 -9.528 1.00 0.00 C ATOM 1441 CD ARG A 93 -2.830 11.352 -9.052 1.00 0.00 C ATOM 1442 NE ARG A 93 -4.046 11.370 -8.209 1.00 0.00 N ATOM 1443 CZ ARG A 93 -4.042 11.191 -6.881 1.00 0.00 C ATOM 1444 NH1 ARG A 93 -2.887 10.979 -6.237 1.00 0.00 N ATOM 1445 NH2 ARG A 93 -5.194 11.223 -6.197 1.00 0.00 N ATOM 0 H ARG A 93 -1.936 8.001 -12.477 1.00 0.00 H new ATOM 0 HA ARG A 93 -3.678 10.204 -11.726 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -1.083 9.069 -10.864 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -1.113 10.821 -10.871 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -3.483 9.393 -9.676 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -1.989 9.387 -8.760 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -1.980 11.733 -8.486 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -2.963 12.011 -9.910 1.00 0.00 H new ATOM 0 HE ARG A 93 -4.943 11.529 -8.667 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -2.010 10.954 -6.757 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -2.884 10.843 -5.226 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -6.074 11.384 -6.687 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -5.191 11.087 -5.186 1.00 0.00 H new ATOM 1459 N LEU A 94 -1.075 10.513 -13.745 1.00 0.00 N ATOM 1460 CA LEU A 94 -0.475 11.353 -14.768 1.00 0.00 C ATOM 1461 C LEU A 94 -1.460 11.521 -15.926 1.00 0.00 C ATOM 1462 O LEU A 94 -1.293 12.405 -16.765 1.00 0.00 O ATOM 1463 CB LEU A 94 0.883 10.792 -15.192 1.00 0.00 C ATOM 1464 CG LEU A 94 1.766 11.728 -16.021 1.00 0.00 C ATOM 1465 CD1 LEU A 94 2.990 12.178 -15.222 1.00 0.00 C ATOM 1466 CD2 LEU A 94 2.156 11.078 -17.351 1.00 0.00 C ATOM 0 H LEU A 94 -0.595 9.627 -13.585 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.274 12.349 -14.374 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.432 10.507 -14.295 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.714 9.881 -15.766 1.00 0.00 H new ATOM 0 HG LEU A 94 1.189 12.623 -16.256 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.600 12.842 -15.834 1.00 0.00 H new ATOM 0 HD12 LEU A 94 2.665 12.707 -14.326 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.578 11.306 -14.935 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.783 11.764 -17.921 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.707 10.157 -17.158 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.256 10.850 -17.922 1.00 0.00 H new ATOM 1478 N VAL A 95 -2.466 10.659 -15.935 1.00 0.00 N ATOM 1479 CA VAL A 95 -3.478 10.700 -16.977 1.00 0.00 C ATOM 1480 C VAL A 95 -4.420 11.879 -16.721 1.00 0.00 C ATOM 1481 O VAL A 95 -4.493 12.806 -17.526 1.00 0.00 O ATOM 1482 CB VAL A 95 -4.208 9.358 -17.052 1.00 0.00 C ATOM 1483 CG1 VAL A 95 -5.638 9.539 -17.565 1.00 0.00 C ATOM 1484 CG2 VAL A 95 -3.436 8.362 -17.920 1.00 0.00 C ATOM 0 H VAL A 95 -2.602 9.928 -15.237 1.00 0.00 H new ATOM 0 HA VAL A 95 -3.016 10.858 -17.951 1.00 0.00 H new ATOM 0 HB VAL A 95 -4.264 8.950 -16.043 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -6.134 8.570 -17.609 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -6.186 10.197 -16.891 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -5.614 9.979 -18.562 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -3.976 7.416 -17.957 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -3.334 8.761 -18.929 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -2.446 8.198 -17.493 1.00 0.00 H new ATOM 1494 N LEU A 96 -5.116 11.805 -15.596 1.00 0.00 N ATOM 1495 CA LEU A 96 -6.049 12.854 -15.224 1.00 0.00 C ATOM 1496 C LEU A 96 -5.337 14.208 -15.278 1.00 0.00 C ATOM 1497 O LEU A 96 -5.954 15.225 -15.591 1.00 0.00 O ATOM 1498 CB LEU A 96 -6.686 12.549 -13.866 1.00 0.00 C ATOM 1499 CG LEU A 96 -5.896 13.003 -12.637 1.00 0.00 C ATOM 1500 CD1 LEU A 96 -6.698 14.010 -11.811 1.00 0.00 C ATOM 1501 CD2 LEU A 96 -5.446 11.805 -11.800 1.00 0.00 C ATOM 0 H LEU A 96 -5.052 11.035 -14.930 1.00 0.00 H new ATOM 0 HA LEU A 96 -6.874 12.898 -15.935 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -7.669 13.018 -13.835 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -6.844 11.473 -13.795 1.00 0.00 H new ATOM 0 HG LEU A 96 -4.995 13.512 -12.980 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -6.114 14.316 -10.943 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -6.925 14.883 -12.422 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -7.628 13.549 -11.478 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -4.887 12.156 -10.933 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -6.320 11.246 -11.466 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -4.810 11.158 -12.404 1.00 0.00 H new