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 89:sc= 0.126 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 -168:sc= -0.82 USER MOD Single : A 59 THR OG1 : rot 76:sc= 1.04 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl -168:sc= -0.147 (180deg=-0.484) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl -102:sc= -3.85 (180deg=-8.66!) USER MOD Single : A 90 MET CE :methyl -110:sc= -0.0994 (180deg=-1.47) USER MOD ----------------------------------------------------------------- ATOM 102 N TYR A 8 -25.877 -14.389 16.614 1.00 0.00 N ATOM 103 CA TYR A 8 -25.988 -13.011 16.165 1.00 0.00 C ATOM 104 C TYR A 8 -24.619 -12.446 15.785 1.00 0.00 C ATOM 105 O TYR A 8 -24.448 -11.904 14.694 1.00 0.00 O ATOM 106 CB TYR A 8 -26.540 -12.224 17.355 1.00 0.00 C ATOM 107 CG TYR A 8 -27.244 -10.922 16.967 1.00 0.00 C ATOM 108 CD1 TYR A 8 -28.538 -10.953 16.490 1.00 0.00 C ATOM 109 CD2 TYR A 8 -26.584 -9.716 17.094 1.00 0.00 C ATOM 110 CE1 TYR A 8 -29.201 -9.728 16.125 1.00 0.00 C ATOM 111 CE2 TYR A 8 -27.246 -8.491 16.729 1.00 0.00 C ATOM 112 CZ TYR A 8 -28.522 -8.557 16.262 1.00 0.00 C ATOM 113 OH TYR A 8 -29.148 -7.400 15.917 1.00 0.00 O ATOM 0 HA TYR A 8 -26.629 -12.944 15.286 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -27.241 -12.855 17.901 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -25.721 -11.993 18.036 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -29.054 -11.896 16.390 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -25.571 -9.692 17.467 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -30.214 -9.739 15.751 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -26.741 -7.541 16.824 1.00 0.00 H new ATOM 0 HH TYR A 8 -28.544 -6.643 16.068 1.00 0.00 H new ATOM 123 N ALA A 9 -23.677 -12.592 16.706 1.00 0.00 N ATOM 124 CA ALA A 9 -22.328 -12.102 16.481 1.00 0.00 C ATOM 125 C ALA A 9 -21.674 -12.917 15.363 1.00 0.00 C ATOM 126 O ALA A 9 -20.764 -12.435 14.690 1.00 0.00 O ATOM 127 CB ALA A 9 -21.536 -12.168 17.789 1.00 0.00 C ATOM 0 H ALA A 9 -23.822 -13.043 17.609 1.00 0.00 H new ATOM 0 HA ALA A 9 -22.347 -11.060 16.163 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -20.524 -11.800 17.620 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -22.025 -11.551 18.542 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -21.494 -13.200 18.137 1.00 0.00 H new ATOM 133 N ALA A 10 -22.165 -14.137 15.199 1.00 0.00 N ATOM 134 CA ALA A 10 -21.640 -15.022 14.173 1.00 0.00 C ATOM 135 C ALA A 10 -21.950 -14.438 12.793 1.00 0.00 C ATOM 136 O ALA A 10 -21.039 -14.085 12.046 1.00 0.00 O ATOM 137 CB ALA A 10 -22.227 -16.423 14.359 1.00 0.00 C ATOM 0 H ALA A 10 -22.920 -14.533 15.759 1.00 0.00 H new ATOM 0 HA ALA A 10 -20.557 -15.108 14.258 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -21.834 -17.087 13.590 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -21.953 -16.805 15.343 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -23.313 -16.376 14.277 1.00 0.00 H new ATOM 143 N LEU A 11 -23.239 -14.355 12.498 1.00 0.00 N ATOM 144 CA LEU A 11 -23.681 -13.820 11.221 1.00 0.00 C ATOM 145 C LEU A 11 -23.089 -12.423 11.026 1.00 0.00 C ATOM 146 O LEU A 11 -22.668 -12.070 9.925 1.00 0.00 O ATOM 147 CB LEU A 11 -25.207 -13.861 11.122 1.00 0.00 C ATOM 148 CG LEU A 11 -25.960 -12.803 11.931 1.00 0.00 C ATOM 149 CD1 LEU A 11 -26.288 -11.584 11.067 1.00 0.00 C ATOM 150 CD2 LEU A 11 -27.211 -13.398 12.581 1.00 0.00 C ATOM 0 H LEU A 11 -23.991 -14.649 13.121 1.00 0.00 H new ATOM 0 HA LEU A 11 -23.315 -14.439 10.402 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -25.486 -13.755 10.074 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -25.546 -14.846 11.444 1.00 0.00 H new ATOM 0 HG LEU A 11 -25.310 -12.462 12.737 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -26.823 -10.847 11.666 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -25.364 -11.145 10.692 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -26.911 -11.891 10.227 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -27.728 -12.625 13.150 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -27.875 -13.784 11.807 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -26.923 -14.209 13.249 1.00 0.00 H new ATOM 162 N VAL A 12 -23.076 -11.664 12.113 1.00 0.00 N ATOM 163 CA VAL A 12 -22.543 -10.313 12.075 1.00 0.00 C ATOM 164 C VAL A 12 -21.130 -10.343 11.489 1.00 0.00 C ATOM 165 O VAL A 12 -20.828 -9.608 10.550 1.00 0.00 O ATOM 166 CB VAL A 12 -22.598 -9.690 13.471 1.00 0.00 C ATOM 167 CG1 VAL A 12 -21.603 -8.534 13.596 1.00 0.00 C ATOM 168 CG2 VAL A 12 -24.017 -9.230 13.811 1.00 0.00 C ATOM 0 H VAL A 12 -23.426 -11.959 13.024 1.00 0.00 H new ATOM 0 HA VAL A 12 -23.150 -9.681 11.427 1.00 0.00 H new ATOM 0 HB VAL A 12 -22.313 -10.457 14.191 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -21.663 -8.109 14.598 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -20.593 -8.903 13.418 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -21.844 -7.766 12.861 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -24.028 -8.791 14.809 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -24.342 -8.486 13.084 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -24.693 -10.085 13.783 1.00 0.00 H new ATOM 178 N THR A 13 -20.301 -11.199 12.069 1.00 0.00 N ATOM 179 CA THR A 13 -18.927 -11.334 11.616 1.00 0.00 C ATOM 180 C THR A 13 -18.889 -11.789 10.156 1.00 0.00 C ATOM 181 O THR A 13 -18.030 -11.357 9.389 1.00 0.00 O ATOM 182 CB THR A 13 -18.207 -12.290 12.569 1.00 0.00 C ATOM 183 OG1 THR A 13 -17.983 -11.509 13.740 1.00 0.00 O ATOM 184 CG2 THR A 13 -16.801 -12.649 12.086 1.00 0.00 C ATOM 0 H THR A 13 -20.555 -11.806 12.849 1.00 0.00 H new ATOM 0 HA THR A 13 -18.407 -10.376 11.639 1.00 0.00 H new ATOM 0 HB THR A 13 -18.795 -13.201 12.683 1.00 0.00 H new ATOM 0 HG1 THR A 13 -18.753 -11.592 14.341 1.00 0.00 H new ATOM 0 HG21 THR A 13 -16.334 -13.329 12.798 1.00 0.00 H new ATOM 0 HG22 THR A 13 -16.864 -13.132 11.111 1.00 0.00 H new ATOM 0 HG23 THR A 13 -16.202 -11.742 12.004 1.00 0.00 H new ATOM 192 N PHE A 14 -19.832 -12.656 9.815 1.00 0.00 N ATOM 193 CA PHE A 14 -19.917 -13.174 8.460 1.00 0.00 C ATOM 194 C PHE A 14 -20.147 -12.045 7.454 1.00 0.00 C ATOM 195 O PHE A 14 -19.386 -11.894 6.500 1.00 0.00 O ATOM 196 CB PHE A 14 -21.113 -14.128 8.420 1.00 0.00 C ATOM 197 CG PHE A 14 -20.928 -15.320 7.479 1.00 0.00 C ATOM 198 CD1 PHE A 14 -19.884 -16.173 7.660 1.00 0.00 C ATOM 199 CD2 PHE A 14 -21.806 -15.527 6.462 1.00 0.00 C ATOM 200 CE1 PHE A 14 -19.711 -17.279 6.787 1.00 0.00 C ATOM 201 CE2 PHE A 14 -21.634 -16.633 5.589 1.00 0.00 C ATOM 202 CZ PHE A 14 -20.590 -17.486 5.770 1.00 0.00 C ATOM 0 H PHE A 14 -20.543 -13.012 10.453 1.00 0.00 H new ATOM 0 HA PHE A 14 -18.986 -13.676 8.195 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -21.302 -14.499 9.427 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -21.999 -13.571 8.114 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -19.187 -16.009 8.468 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -22.635 -14.850 6.318 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -18.882 -17.956 6.930 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -22.332 -16.797 4.781 1.00 0.00 H new ATOM 0 HZ PHE A 14 -20.459 -18.328 5.106 1.00 0.00 H new ATOM 212 N GLY A 15 -21.200 -11.280 7.702 1.00 0.00 N ATOM 213 CA GLY A 15 -21.540 -10.169 6.830 1.00 0.00 C ATOM 214 C GLY A 15 -20.467 -9.079 6.886 1.00 0.00 C ATOM 215 O GLY A 15 -20.302 -8.315 5.936 1.00 0.00 O ATOM 0 H GLY A 15 -21.829 -11.408 8.495 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -21.648 -10.526 5.806 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -22.503 -9.752 7.125 1.00 0.00 H new ATOM 219 N SER A 16 -19.765 -9.043 8.009 1.00 0.00 N ATOM 220 CA SER A 16 -18.712 -8.060 8.202 1.00 0.00 C ATOM 221 C SER A 16 -17.567 -8.320 7.220 1.00 0.00 C ATOM 222 O SER A 16 -17.148 -7.417 6.498 1.00 0.00 O ATOM 223 CB SER A 16 -18.193 -8.084 9.641 1.00 0.00 C ATOM 224 OG SER A 16 -18.276 -6.804 10.260 1.00 0.00 O ATOM 0 H SER A 16 -19.905 -9.678 8.795 1.00 0.00 H new ATOM 0 HA SER A 16 -19.128 -7.071 8.011 1.00 0.00 H new ATOM 0 HB2 SER A 16 -18.768 -8.805 10.222 1.00 0.00 H new ATOM 0 HB3 SER A 16 -17.157 -8.423 9.647 1.00 0.00 H new ATOM 0 HG SER A 16 -17.937 -6.862 11.178 1.00 0.00 H new ATOM 230 N ILE A 17 -17.095 -9.558 7.226 1.00 0.00 N ATOM 231 CA ILE A 17 -16.007 -9.947 6.345 1.00 0.00 C ATOM 232 C ILE A 17 -16.482 -9.875 4.892 1.00 0.00 C ATOM 233 O ILE A 17 -15.875 -9.189 4.070 1.00 0.00 O ATOM 234 CB ILE A 17 -15.459 -11.318 6.745 1.00 0.00 C ATOM 235 CG1 ILE A 17 -14.807 -11.266 8.128 1.00 0.00 C ATOM 236 CG2 ILE A 17 -14.502 -11.858 5.680 1.00 0.00 C ATOM 237 CD1 ILE A 17 -14.542 -12.675 8.663 1.00 0.00 C ATOM 0 H ILE A 17 -17.446 -10.304 7.826 1.00 0.00 H new ATOM 0 HA ILE A 17 -15.171 -9.254 6.442 1.00 0.00 H new ATOM 0 HB ILE A 17 -16.295 -12.014 6.809 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -13.870 -10.712 8.071 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -15.455 -10.727 8.819 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -14.127 -12.834 5.989 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -15.031 -11.956 4.732 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -13.666 -11.169 5.559 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -14.078 -12.609 9.647 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -15.484 -13.218 8.741 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -13.875 -13.203 7.982 1.00 0.00 H new ATOM 249 N PHE A 18 -17.563 -10.591 4.620 1.00 0.00 N ATOM 250 CA PHE A 18 -18.126 -10.617 3.281 1.00 0.00 C ATOM 251 C PHE A 18 -18.204 -9.207 2.692 1.00 0.00 C ATOM 252 O PHE A 18 -17.774 -8.977 1.562 1.00 0.00 O ATOM 253 CB PHE A 18 -19.541 -11.185 3.402 1.00 0.00 C ATOM 254 CG PHE A 18 -19.974 -12.036 2.206 1.00 0.00 C ATOM 255 CD1 PHE A 18 -19.400 -13.250 1.991 1.00 0.00 C ATOM 256 CD2 PHE A 18 -20.933 -11.578 1.357 1.00 0.00 C ATOM 257 CE1 PHE A 18 -19.802 -14.039 0.881 1.00 0.00 C ATOM 258 CE2 PHE A 18 -21.335 -12.367 0.247 1.00 0.00 C ATOM 259 CZ PHE A 18 -20.761 -13.581 0.033 1.00 0.00 C ATOM 0 H PHE A 18 -18.064 -11.158 5.304 1.00 0.00 H new ATOM 0 HA PHE A 18 -17.499 -11.222 2.625 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -19.603 -11.790 4.307 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -20.244 -10.360 3.522 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -18.638 -13.614 2.665 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -21.389 -10.614 1.527 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -19.346 -15.003 0.710 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -22.096 -12.003 -0.427 1.00 0.00 H new ATOM 0 HZ PHE A 18 -21.067 -14.182 -0.811 1.00 0.00 H new ATOM 441 N ILE A 30 -6.423 -7.048 -9.337 1.00 0.00 N ATOM 442 CA ILE A 30 -6.954 -6.587 -8.065 1.00 0.00 C ATOM 443 C ILE A 30 -5.847 -5.876 -7.283 1.00 0.00 C ATOM 444 O ILE A 30 -6.099 -4.875 -6.615 1.00 0.00 O ATOM 445 CB ILE A 30 -7.600 -7.745 -7.302 1.00 0.00 C ATOM 446 CG1 ILE A 30 -8.947 -8.125 -7.920 1.00 0.00 C ATOM 447 CG2 ILE A 30 -7.724 -7.418 -5.813 1.00 0.00 C ATOM 448 CD1 ILE A 30 -8.794 -9.300 -8.887 1.00 0.00 C ATOM 0 HA ILE A 30 -7.749 -5.859 -8.226 1.00 0.00 H new ATOM 0 HB ILE A 30 -6.950 -8.616 -7.387 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -9.652 -8.388 -7.131 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -9.364 -7.267 -8.447 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -8.186 -8.257 -5.293 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.733 -7.235 -5.397 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -8.341 -6.528 -5.686 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -9.766 -9.550 -9.312 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -8.107 -9.025 -9.688 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -8.400 -10.163 -8.351 1.00 0.00 H new ATOM 460 N ALA A 31 -4.645 -6.423 -7.393 1.00 0.00 N ATOM 461 CA ALA A 31 -3.499 -5.854 -6.704 1.00 0.00 C ATOM 462 C ALA A 31 -3.204 -4.466 -7.275 1.00 0.00 C ATOM 463 O ALA A 31 -2.732 -3.583 -6.560 1.00 0.00 O ATOM 464 CB ALA A 31 -2.305 -6.802 -6.830 1.00 0.00 C ATOM 0 H ALA A 31 -4.440 -7.254 -7.948 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.710 -5.735 -5.641 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -1.445 -6.375 -6.313 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.556 -7.764 -6.384 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.062 -6.943 -7.883 1.00 0.00 H new ATOM 470 N GLY A 32 -3.494 -4.315 -8.559 1.00 0.00 N ATOM 471 CA GLY A 32 -3.266 -3.049 -9.235 1.00 0.00 C ATOM 472 C GLY A 32 -4.232 -1.976 -8.729 1.00 0.00 C ATOM 473 O GLY A 32 -3.805 -0.917 -8.270 1.00 0.00 O ATOM 0 H GLY A 32 -3.885 -5.049 -9.149 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.238 -2.725 -9.071 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.392 -3.179 -10.310 1.00 0.00 H new ATOM 477 N LEU A 33 -5.516 -2.286 -8.830 1.00 0.00 N ATOM 478 CA LEU A 33 -6.546 -1.361 -8.389 1.00 0.00 C ATOM 479 C LEU A 33 -6.277 -0.960 -6.937 1.00 0.00 C ATOM 480 O LEU A 33 -6.415 0.208 -6.576 1.00 0.00 O ATOM 481 CB LEU A 33 -7.936 -1.960 -8.614 1.00 0.00 C ATOM 482 CG LEU A 33 -9.074 -1.338 -7.802 1.00 0.00 C ATOM 483 CD1 LEU A 33 -10.110 -0.687 -8.721 1.00 0.00 C ATOM 484 CD2 LEU A 33 -9.706 -2.369 -6.865 1.00 0.00 C ATOM 0 H LEU A 33 -5.867 -3.165 -9.211 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.518 -0.448 -8.983 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.181 -1.872 -9.672 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.892 -3.025 -8.385 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.657 -0.549 -7.177 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.908 -0.252 -8.119 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.633 0.096 -9.310 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.528 -1.440 -9.389 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.512 -1.901 -6.300 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.107 -3.196 -7.451 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.950 -2.746 -6.176 1.00 0.00 H new ATOM 496 N PHE A 34 -5.898 -1.951 -6.143 1.00 0.00 N ATOM 497 CA PHE A 34 -5.609 -1.716 -4.739 1.00 0.00 C ATOM 498 C PHE A 34 -4.497 -0.677 -4.574 1.00 0.00 C ATOM 499 O PHE A 34 -4.697 0.356 -3.938 1.00 0.00 O ATOM 500 CB PHE A 34 -5.138 -3.047 -4.150 1.00 0.00 C ATOM 501 CG PHE A 34 -5.532 -3.254 -2.686 1.00 0.00 C ATOM 502 CD1 PHE A 34 -6.845 -3.327 -2.339 1.00 0.00 C ATOM 503 CD2 PHE A 34 -4.570 -3.365 -1.732 1.00 0.00 C ATOM 504 CE1 PHE A 34 -7.211 -3.519 -0.980 1.00 0.00 C ATOM 505 CE2 PHE A 34 -4.935 -3.557 -0.373 1.00 0.00 C ATOM 506 CZ PHE A 34 -6.248 -3.630 -0.026 1.00 0.00 C ATOM 0 H PHE A 34 -5.784 -2.918 -6.446 1.00 0.00 H new ATOM 0 HA PHE A 34 -6.499 -1.340 -4.234 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -5.550 -3.862 -4.745 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -4.053 -3.107 -4.235 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -7.609 -3.239 -3.097 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.527 -3.307 -2.008 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -8.254 -3.577 -0.704 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -4.170 -3.645 0.385 1.00 0.00 H new ATOM 0 HZ PHE A 34 -6.526 -3.776 1.007 1.00 0.00 H new ATOM 516 N VAL A 35 -3.349 -0.989 -5.159 1.00 0.00 N ATOM 517 CA VAL A 35 -2.205 -0.096 -5.085 1.00 0.00 C ATOM 518 C VAL A 35 -2.643 1.319 -5.471 1.00 0.00 C ATOM 519 O VAL A 35 -2.177 2.297 -4.888 1.00 0.00 O ATOM 520 CB VAL A 35 -1.068 -0.629 -5.959 1.00 0.00 C ATOM 521 CG1 VAL A 35 -0.004 0.446 -6.190 1.00 0.00 C ATOM 522 CG2 VAL A 35 -0.451 -1.889 -5.347 1.00 0.00 C ATOM 0 H VAL A 35 -3.187 -1.847 -5.686 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.820 -0.051 -4.066 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.488 -0.898 -6.928 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.793 0.041 -6.814 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.456 1.304 -6.689 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.410 0.760 -5.232 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.355 -2.248 -5.988 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.053 -1.656 -4.359 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.215 -2.662 -5.258 1.00 0.00 H new ATOM 532 N GLY A 36 -3.532 1.382 -6.451 1.00 0.00 N ATOM 533 CA GLY A 36 -4.037 2.661 -6.921 1.00 0.00 C ATOM 534 C GLY A 36 -4.982 3.288 -5.894 1.00 0.00 C ATOM 535 O GLY A 36 -5.019 4.509 -5.744 1.00 0.00 O ATOM 0 H GLY A 36 -3.916 0.569 -6.932 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.204 3.337 -7.114 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.561 2.524 -7.867 1.00 0.00 H new ATOM 539 N CYS A 37 -5.722 2.426 -5.214 1.00 0.00 N ATOM 540 CA CYS A 37 -6.664 2.880 -4.205 1.00 0.00 C ATOM 541 C CYS A 37 -5.882 3.609 -3.111 1.00 0.00 C ATOM 542 O CYS A 37 -6.318 4.649 -2.619 1.00 0.00 O ATOM 543 CB CYS A 37 -7.492 1.723 -3.642 1.00 0.00 C ATOM 544 SG CYS A 37 -9.165 1.731 -4.381 1.00 0.00 S ATOM 0 H CYS A 37 -5.689 1.415 -5.342 1.00 0.00 H new ATOM 0 HA CYS A 37 -7.381 3.566 -4.656 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -6.997 0.775 -3.853 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -7.564 1.811 -2.558 1.00 0.00 H new ATOM 0 HG CYS A 37 -9.858 0.743 -3.897 1.00 0.00 H new ATOM 550 N LEU A 38 -4.741 3.034 -2.761 1.00 0.00 N ATOM 551 CA LEU A 38 -3.894 3.616 -1.733 1.00 0.00 C ATOM 552 C LEU A 38 -3.246 4.892 -2.275 1.00 0.00 C ATOM 553 O LEU A 38 -3.151 5.893 -1.566 1.00 0.00 O ATOM 554 CB LEU A 38 -2.887 2.584 -1.222 1.00 0.00 C ATOM 555 CG LEU A 38 -3.302 1.118 -1.356 1.00 0.00 C ATOM 556 CD1 LEU A 38 -2.375 0.209 -0.545 1.00 0.00 C ATOM 557 CD2 LEU A 38 -4.771 0.926 -0.974 1.00 0.00 C ATOM 0 H LEU A 38 -4.383 2.171 -3.171 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.489 3.903 -0.866 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.948 2.726 -1.758 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.688 2.790 -0.170 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.202 0.829 -2.402 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.692 -0.828 -0.658 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.352 0.317 -0.906 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.420 0.490 0.507 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -5.040 -0.125 -1.078 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.922 1.238 0.059 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.399 1.528 -1.631 1.00 0.00 H new ATOM 569 N ALA A 39 -2.818 4.815 -3.526 1.00 0.00 N ATOM 570 CA ALA A 39 -2.183 5.952 -4.171 1.00 0.00 C ATOM 571 C ALA A 39 -3.091 7.177 -4.046 1.00 0.00 C ATOM 572 O ALA A 39 -2.625 8.269 -3.724 1.00 0.00 O ATOM 573 CB ALA A 39 -1.869 5.604 -5.627 1.00 0.00 C ATOM 0 H ALA A 39 -2.898 3.983 -4.111 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.238 6.192 -3.683 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -1.393 6.457 -6.110 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.197 4.747 -5.659 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.794 5.360 -6.150 1.00 0.00 H new ATOM 579 N GLY A 40 -4.370 6.954 -4.309 1.00 0.00 N ATOM 580 CA GLY A 40 -5.347 8.027 -4.230 1.00 0.00 C ATOM 581 C GLY A 40 -5.763 8.285 -2.781 1.00 0.00 C ATOM 582 O GLY A 40 -5.444 9.331 -2.217 1.00 0.00 O ATOM 0 H GLY A 40 -4.752 6.047 -4.577 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.928 8.937 -4.659 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.224 7.769 -4.823 1.00 0.00 H new ATOM 768 N ASP A 52 5.304 11.757 -5.797 1.00 0.00 N ATOM 769 CA ASP A 52 4.591 11.537 -7.043 1.00 0.00 C ATOM 770 C ASP A 52 4.519 10.035 -7.326 1.00 0.00 C ATOM 771 O ASP A 52 3.526 9.385 -7.002 1.00 0.00 O ATOM 772 CB ASP A 52 5.312 12.204 -8.216 1.00 0.00 C ATOM 773 CG ASP A 52 6.815 12.410 -8.019 1.00 0.00 C ATOM 774 OD1 ASP A 52 7.268 12.810 -6.937 1.00 0.00 O ATOM 775 OD2 ASP A 52 7.542 12.137 -9.049 1.00 0.00 O ATOM 0 HA ASP A 52 3.594 11.966 -6.941 1.00 0.00 H new ATOM 0 HB2 ASP A 52 5.158 11.599 -9.109 1.00 0.00 H new ATOM 0 HB3 ASP A 52 4.849 13.173 -8.404 1.00 0.00 H new ATOM 780 N VAL A 53 5.585 9.526 -7.928 1.00 0.00 N ATOM 781 CA VAL A 53 5.655 8.113 -8.257 1.00 0.00 C ATOM 782 C VAL A 53 6.332 7.359 -7.111 1.00 0.00 C ATOM 783 O VAL A 53 6.329 6.129 -7.085 1.00 0.00 O ATOM 784 CB VAL A 53 6.365 7.923 -9.599 1.00 0.00 C ATOM 785 CG1 VAL A 53 6.342 6.455 -10.029 1.00 0.00 C ATOM 786 CG2 VAL A 53 5.750 8.819 -10.676 1.00 0.00 C ATOM 0 H VAL A 53 6.407 10.068 -8.196 1.00 0.00 H new ATOM 0 HA VAL A 53 4.654 7.698 -8.372 1.00 0.00 H new ATOM 0 HB VAL A 53 7.406 8.218 -9.471 1.00 0.00 H new ATOM 0 HG11 VAL A 53 6.853 6.348 -10.986 1.00 0.00 H new ATOM 0 HG12 VAL A 53 6.847 5.848 -9.278 1.00 0.00 H new ATOM 0 HG13 VAL A 53 5.309 6.122 -10.130 1.00 0.00 H new ATOM 0 HG21 VAL A 53 6.273 8.665 -11.620 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.696 8.569 -10.800 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.842 9.863 -10.377 1.00 0.00 H new ATOM 796 N LYS A 54 6.895 8.128 -6.191 1.00 0.00 N ATOM 797 CA LYS A 54 7.575 7.548 -5.045 1.00 0.00 C ATOM 798 C LYS A 54 6.626 6.585 -4.329 1.00 0.00 C ATOM 799 O LYS A 54 7.031 5.497 -3.922 1.00 0.00 O ATOM 800 CB LYS A 54 8.133 8.648 -4.140 1.00 0.00 C ATOM 801 CG LYS A 54 9.638 8.821 -4.351 1.00 0.00 C ATOM 802 CD LYS A 54 10.146 10.090 -3.663 1.00 0.00 C ATOM 803 CE LYS A 54 11.513 9.852 -3.016 1.00 0.00 C ATOM 804 NZ LYS A 54 12.429 10.975 -3.314 1.00 0.00 N ATOM 0 H LYS A 54 6.894 9.148 -6.216 1.00 0.00 H new ATOM 0 HA LYS A 54 8.438 6.965 -5.368 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.623 9.588 -4.348 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.934 8.401 -3.097 1.00 0.00 H new ATOM 0 HG2 LYS A 54 10.166 7.953 -3.957 1.00 0.00 H new ATOM 0 HG3 LYS A 54 9.856 8.869 -5.418 1.00 0.00 H new ATOM 0 HD2 LYS A 54 10.220 10.898 -4.391 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.431 10.408 -2.904 1.00 0.00 H new ATOM 0 HE2 LYS A 54 11.398 9.745 -1.937 1.00 0.00 H new ATOM 0 HE3 LYS A 54 11.939 8.919 -3.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 13.352 10.798 -2.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 12.552 11.059 -4.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 12.028 11.859 -2.940 1.00 0.00 H new ATOM 818 N VAL A 55 5.382 7.019 -4.197 1.00 0.00 N ATOM 819 CA VAL A 55 4.372 6.209 -3.537 1.00 0.00 C ATOM 820 C VAL A 55 4.062 4.984 -4.401 1.00 0.00 C ATOM 821 O VAL A 55 3.866 3.887 -3.881 1.00 0.00 O ATOM 822 CB VAL A 55 3.134 7.057 -3.237 1.00 0.00 C ATOM 823 CG1 VAL A 55 2.488 7.561 -4.529 1.00 0.00 C ATOM 824 CG2 VAL A 55 2.128 6.277 -2.388 1.00 0.00 C ATOM 0 H VAL A 55 5.050 7.922 -4.536 1.00 0.00 H new ATOM 0 HA VAL A 55 4.741 5.846 -2.578 1.00 0.00 H new ATOM 0 HB VAL A 55 3.454 7.926 -2.662 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.611 8.161 -4.287 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.204 8.171 -5.080 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.189 6.711 -5.142 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.258 6.902 -2.189 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.816 5.381 -2.925 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.593 5.991 -1.444 1.00 0.00 H new ATOM 834 N SER A 56 4.029 5.214 -5.705 1.00 0.00 N ATOM 835 CA SER A 56 3.746 4.143 -6.646 1.00 0.00 C ATOM 836 C SER A 56 4.709 2.976 -6.415 1.00 0.00 C ATOM 837 O SER A 56 4.284 1.878 -6.058 1.00 0.00 O ATOM 838 CB SER A 56 3.849 4.637 -8.090 1.00 0.00 C ATOM 839 OG SER A 56 2.939 3.960 -8.953 1.00 0.00 O ATOM 0 H SER A 56 4.193 6.125 -6.132 1.00 0.00 H new ATOM 0 HA SER A 56 2.724 3.802 -6.479 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.650 5.708 -8.122 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.867 4.492 -8.451 1.00 0.00 H new ATOM 0 HG SER A 56 3.160 4.164 -9.886 1.00 0.00 H new ATOM 845 N LEU A 57 5.986 3.253 -6.629 1.00 0.00 N ATOM 846 CA LEU A 57 7.012 2.240 -6.448 1.00 0.00 C ATOM 847 C LEU A 57 7.028 1.792 -4.986 1.00 0.00 C ATOM 848 O LEU A 57 6.726 0.639 -4.683 1.00 0.00 O ATOM 849 CB LEU A 57 8.364 2.752 -6.950 1.00 0.00 C ATOM 850 CG LEU A 57 9.544 1.789 -6.797 1.00 0.00 C ATOM 851 CD1 LEU A 57 9.659 0.865 -8.011 1.00 0.00 C ATOM 852 CD2 LEU A 57 10.843 2.553 -6.533 1.00 0.00 C ATOM 0 H LEU A 57 6.334 4.164 -6.926 1.00 0.00 H new ATOM 0 HA LEU A 57 6.788 1.359 -7.049 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.264 3.009 -8.005 1.00 0.00 H new ATOM 0 HB3 LEU A 57 8.601 3.674 -6.419 1.00 0.00 H new ATOM 0 HG LEU A 57 9.359 1.157 -5.928 1.00 0.00 H new ATOM 0 HD11 LEU A 57 10.505 0.191 -7.877 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.744 0.282 -8.113 1.00 0.00 H new ATOM 0 HD13 LEU A 57 9.810 1.463 -8.910 1.00 0.00 H new ATOM 0 HD21 LEU A 57 11.666 1.846 -6.428 1.00 0.00 H new ATOM 0 HD22 LEU A 57 11.046 3.225 -7.367 1.00 0.00 H new ATOM 0 HD23 LEU A 57 10.744 3.133 -5.616 1.00 0.00 H new ATOM 864 N PHE A 58 7.384 2.727 -4.117 1.00 0.00 N ATOM 865 CA PHE A 58 7.444 2.443 -2.694 1.00 0.00 C ATOM 866 C PHE A 58 6.315 1.499 -2.275 1.00 0.00 C ATOM 867 O PHE A 58 6.528 0.583 -1.482 1.00 0.00 O ATOM 868 CB PHE A 58 7.274 3.776 -1.963 1.00 0.00 C ATOM 869 CG PHE A 58 7.305 3.659 -0.438 1.00 0.00 C ATOM 870 CD1 PHE A 58 8.496 3.613 0.216 1.00 0.00 C ATOM 871 CD2 PHE A 58 6.141 3.602 0.263 1.00 0.00 C ATOM 872 CE1 PHE A 58 8.525 3.504 1.632 1.00 0.00 C ATOM 873 CE2 PHE A 58 6.170 3.493 1.679 1.00 0.00 C ATOM 874 CZ PHE A 58 7.361 3.447 2.333 1.00 0.00 C ATOM 0 H PHE A 58 7.634 3.683 -4.372 1.00 0.00 H new ATOM 0 HA PHE A 58 8.392 1.964 -2.451 1.00 0.00 H new ATOM 0 HB2 PHE A 58 8.064 4.456 -2.281 1.00 0.00 H new ATOM 0 HB3 PHE A 58 6.327 4.225 -2.263 1.00 0.00 H new ATOM 0 HD1 PHE A 58 9.420 3.659 -0.341 1.00 0.00 H new ATOM 0 HD2 PHE A 58 5.195 3.640 -0.257 1.00 0.00 H new ATOM 0 HE1 PHE A 58 9.471 3.466 2.152 1.00 0.00 H new ATOM 0 HE2 PHE A 58 5.246 3.447 2.236 1.00 0.00 H new ATOM 0 HZ PHE A 58 7.383 3.365 3.410 1.00 0.00 H new ATOM 884 N THR A 59 5.138 1.754 -2.828 1.00 0.00 N ATOM 885 CA THR A 59 3.975 0.939 -2.522 1.00 0.00 C ATOM 886 C THR A 59 4.143 -0.468 -3.100 1.00 0.00 C ATOM 887 O THR A 59 4.102 -1.454 -2.365 1.00 0.00 O ATOM 888 CB THR A 59 2.735 1.667 -3.046 1.00 0.00 C ATOM 889 OG1 THR A 59 2.592 2.782 -2.171 1.00 0.00 O ATOM 890 CG2 THR A 59 1.451 0.862 -2.838 1.00 0.00 C ATOM 0 H THR A 59 4.965 2.514 -3.486 1.00 0.00 H new ATOM 0 HA THR A 59 3.859 0.803 -1.447 1.00 0.00 H new ATOM 0 HB THR A 59 2.861 1.880 -4.108 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.261 3.462 -2.396 1.00 0.00 H new ATOM 0 HG21 THR A 59 0.602 1.424 -3.227 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.529 -0.089 -3.364 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.306 0.677 -1.774 1.00 0.00 H new ATOM 898 N ALA A 60 4.329 -0.516 -4.411 1.00 0.00 N ATOM 899 CA ALA A 60 4.504 -1.786 -5.096 1.00 0.00 C ATOM 900 C ALA A 60 5.504 -2.645 -4.320 1.00 0.00 C ATOM 901 O ALA A 60 5.314 -3.853 -4.181 1.00 0.00 O ATOM 902 CB ALA A 60 4.948 -1.531 -6.537 1.00 0.00 C ATOM 0 H ALA A 60 4.362 0.304 -5.017 1.00 0.00 H new ATOM 0 HA ALA A 60 3.562 -2.334 -5.137 1.00 0.00 H new ATOM 0 HB1 ALA A 60 5.079 -2.483 -7.051 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.190 -0.942 -7.053 1.00 0.00 H new ATOM 0 HB3 ALA A 60 5.892 -0.986 -6.536 1.00 0.00 H new ATOM 908 N PHE A 61 6.548 -1.989 -3.835 1.00 0.00 N ATOM 909 CA PHE A 61 7.579 -2.678 -3.078 1.00 0.00 C ATOM 910 C PHE A 61 7.060 -3.096 -1.700 1.00 0.00 C ATOM 911 O PHE A 61 7.392 -4.174 -1.209 1.00 0.00 O ATOM 912 CB PHE A 61 8.735 -1.693 -2.896 1.00 0.00 C ATOM 913 CG PHE A 61 10.110 -2.279 -3.224 1.00 0.00 C ATOM 914 CD1 PHE A 61 10.576 -3.350 -2.527 1.00 0.00 C ATOM 915 CD2 PHE A 61 10.866 -1.730 -4.212 1.00 0.00 C ATOM 916 CE1 PHE A 61 11.851 -3.894 -2.830 1.00 0.00 C ATOM 917 CE2 PHE A 61 12.142 -2.274 -4.515 1.00 0.00 C ATOM 918 CZ PHE A 61 12.608 -3.345 -3.818 1.00 0.00 C ATOM 0 H PHE A 61 6.702 -0.987 -3.952 1.00 0.00 H new ATOM 0 HA PHE A 61 7.891 -3.578 -3.608 1.00 0.00 H new ATOM 0 HB2 PHE A 61 8.561 -0.824 -3.530 1.00 0.00 H new ATOM 0 HB3 PHE A 61 8.739 -1.340 -1.865 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.975 -3.786 -1.743 1.00 0.00 H new ATOM 0 HD2 PHE A 61 10.496 -0.880 -4.766 1.00 0.00 H new ATOM 0 HE1 PHE A 61 12.221 -4.744 -2.276 1.00 0.00 H new ATOM 0 HE2 PHE A 61 12.743 -1.837 -5.299 1.00 0.00 H new ATOM 0 HZ PHE A 61 13.578 -3.759 -4.049 1.00 0.00 H new ATOM 928 N PHE A 62 6.254 -2.222 -1.117 1.00 0.00 N ATOM 929 CA PHE A 62 5.685 -2.486 0.194 1.00 0.00 C ATOM 930 C PHE A 62 4.735 -3.684 0.148 1.00 0.00 C ATOM 931 O PHE A 62 4.944 -4.675 0.846 1.00 0.00 O ATOM 932 CB PHE A 62 4.897 -1.239 0.600 1.00 0.00 C ATOM 933 CG PHE A 62 4.991 -0.901 2.089 1.00 0.00 C ATOM 934 CD1 PHE A 62 4.364 -1.687 3.006 1.00 0.00 C ATOM 935 CD2 PHE A 62 5.701 0.185 2.496 1.00 0.00 C ATOM 936 CE1 PHE A 62 4.451 -1.373 4.388 1.00 0.00 C ATOM 937 CE2 PHE A 62 5.788 0.499 3.878 1.00 0.00 C ATOM 938 CZ PHE A 62 5.161 -0.286 4.795 1.00 0.00 C ATOM 0 H PHE A 62 5.981 -1.329 -1.528 1.00 0.00 H new ATOM 0 HA PHE A 62 6.479 -2.714 0.905 1.00 0.00 H new ATOM 0 HB2 PHE A 62 5.259 -0.389 0.021 1.00 0.00 H new ATOM 0 HB3 PHE A 62 3.849 -1.382 0.336 1.00 0.00 H new ATOM 0 HD1 PHE A 62 3.800 -2.550 2.683 1.00 0.00 H new ATOM 0 HD2 PHE A 62 6.199 0.809 1.768 1.00 0.00 H new ATOM 0 HE1 PHE A 62 3.954 -1.997 5.116 1.00 0.00 H new ATOM 0 HE2 PHE A 62 6.352 1.361 4.201 1.00 0.00 H new ATOM 0 HZ PHE A 62 5.227 -0.046 5.846 1.00 0.00 H new ATOM 948 N LEU A 63 3.710 -3.554 -0.682 1.00 0.00 N ATOM 949 CA LEU A 63 2.726 -4.613 -0.828 1.00 0.00 C ATOM 950 C LEU A 63 3.418 -5.879 -1.335 1.00 0.00 C ATOM 951 O LEU A 63 3.052 -6.988 -0.949 1.00 0.00 O ATOM 952 CB LEU A 63 1.567 -4.149 -1.713 1.00 0.00 C ATOM 953 CG LEU A 63 0.183 -4.151 -1.061 1.00 0.00 C ATOM 954 CD1 LEU A 63 -0.028 -2.892 -0.217 1.00 0.00 C ATOM 955 CD2 LEU A 63 -0.917 -4.329 -2.109 1.00 0.00 C ATOM 0 H LEU A 63 3.540 -2.731 -1.260 1.00 0.00 H new ATOM 0 HA LEU A 63 2.282 -4.857 0.137 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.782 -3.138 -2.059 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.532 -4.787 -2.596 1.00 0.00 H new ATOM 0 HG LEU A 63 0.125 -5.005 -0.386 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.020 -2.919 0.235 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.727 -2.849 0.568 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.058 -2.010 -0.852 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.890 -4.327 -1.619 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.871 -3.511 -2.828 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.775 -5.277 -2.629 1.00 0.00 H new ATOM 967 N ALA A 64 4.407 -5.672 -2.192 1.00 0.00 N ATOM 968 CA ALA A 64 5.154 -6.783 -2.756 1.00 0.00 C ATOM 969 C ALA A 64 5.782 -7.598 -1.623 1.00 0.00 C ATOM 970 O ALA A 64 5.609 -8.814 -1.559 1.00 0.00 O ATOM 971 CB ALA A 64 6.199 -6.250 -3.739 1.00 0.00 C ATOM 0 H ALA A 64 4.708 -4.751 -2.510 1.00 0.00 H new ATOM 0 HA ALA A 64 4.492 -7.447 -3.312 1.00 0.00 H new ATOM 0 HB1 ALA A 64 6.759 -7.084 -4.162 1.00 0.00 H new ATOM 0 HB2 ALA A 64 5.700 -5.705 -4.540 1.00 0.00 H new ATOM 0 HB3 ALA A 64 6.883 -5.581 -3.216 1.00 0.00 H new ATOM 977 N THR A 65 6.496 -6.894 -0.757 1.00 0.00 N ATOM 978 CA THR A 65 7.150 -7.537 0.370 1.00 0.00 C ATOM 979 C THR A 65 6.110 -8.087 1.348 1.00 0.00 C ATOM 980 O THR A 65 6.374 -9.051 2.064 1.00 0.00 O ATOM 981 CB THR A 65 8.104 -6.522 1.005 1.00 0.00 C ATOM 982 OG1 THR A 65 8.747 -7.254 2.045 1.00 0.00 O ATOM 983 CG2 THR A 65 7.363 -5.403 1.739 1.00 0.00 C ATOM 0 H THR A 65 6.636 -5.885 -0.813 1.00 0.00 H new ATOM 0 HA THR A 65 7.735 -8.399 0.048 1.00 0.00 H new ATOM 0 HB THR A 65 8.741 -6.090 0.233 1.00 0.00 H new ATOM 0 HG1 THR A 65 9.385 -6.672 2.509 1.00 0.00 H new ATOM 0 HG21 THR A 65 8.085 -4.710 2.171 1.00 0.00 H new ATOM 0 HG22 THR A 65 6.723 -4.869 1.037 1.00 0.00 H new ATOM 0 HG23 THR A 65 6.752 -5.831 2.533 1.00 0.00 H new ATOM 991 N ILE A 66 4.948 -7.449 1.346 1.00 0.00 N ATOM 992 CA ILE A 66 3.867 -7.863 2.224 1.00 0.00 C ATOM 993 C ILE A 66 3.355 -9.236 1.784 1.00 0.00 C ATOM 994 O ILE A 66 3.497 -10.217 2.512 1.00 0.00 O ATOM 995 CB ILE A 66 2.778 -6.788 2.276 1.00 0.00 C ATOM 996 CG1 ILE A 66 3.268 -5.547 3.024 1.00 0.00 C ATOM 997 CG2 ILE A 66 1.486 -7.346 2.875 1.00 0.00 C ATOM 998 CD1 ILE A 66 3.023 -5.682 4.528 1.00 0.00 C ATOM 0 H ILE A 66 4.732 -6.649 0.751 1.00 0.00 H new ATOM 0 HA ILE A 66 4.227 -7.970 3.247 1.00 0.00 H new ATOM 0 HB ILE A 66 2.553 -6.480 1.255 1.00 0.00 H new ATOM 0 HG12 ILE A 66 4.332 -5.401 2.837 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.754 -4.663 2.646 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.729 -6.562 2.901 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.130 -8.175 2.263 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.677 -7.699 3.888 1.00 0.00 H new ATOM 0 HD11 ILE A 66 3.380 -4.787 5.037 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.956 -5.803 4.713 1.00 0.00 H new ATOM 0 HD13 ILE A 66 3.558 -6.553 4.907 1.00 0.00 H new ATOM 1010 N MET A 67 2.771 -9.261 0.595 1.00 0.00 N ATOM 1011 CA MET A 67 2.237 -10.498 0.050 1.00 0.00 C ATOM 1012 C MET A 67 3.356 -11.508 -0.215 1.00 0.00 C ATOM 1013 O MET A 67 3.356 -12.601 0.349 1.00 0.00 O ATOM 1014 CB MET A 67 1.496 -10.202 -1.256 1.00 0.00 C ATOM 1015 CG MET A 67 -0.005 -10.040 -1.009 1.00 0.00 C ATOM 1016 SD MET A 67 -0.612 -8.595 -1.864 1.00 0.00 S ATOM 1017 CE MET A 67 -1.033 -7.564 -0.469 1.00 0.00 C ATOM 0 H MET A 67 2.656 -8.445 -0.006 1.00 0.00 H new ATOM 0 HA MET A 67 1.550 -10.928 0.779 1.00 0.00 H new ATOM 0 HB2 MET A 67 1.894 -9.293 -1.707 1.00 0.00 H new ATOM 0 HB3 MET A 67 1.666 -11.011 -1.966 1.00 0.00 H new ATOM 0 HG2 MET A 67 -0.536 -10.927 -1.354 1.00 0.00 H new ATOM 0 HG3 MET A 67 -0.198 -9.948 0.060 1.00 0.00 H new ATOM 0 HE1 MET A 67 -1.621 -6.712 -0.810 1.00 0.00 H new ATOM 0 HE2 MET A 67 -1.615 -8.143 0.249 1.00 0.00 H new ATOM 0 HE3 MET A 67 -0.120 -7.207 0.008 1.00 0.00 H new ATOM 1027 N GLY A 68 4.281 -11.105 -1.074 1.00 0.00 N ATOM 1028 CA GLY A 68 5.403 -11.962 -1.421 1.00 0.00 C ATOM 1029 C GLY A 68 5.674 -11.927 -2.926 1.00 0.00 C ATOM 1030 O GLY A 68 5.894 -12.966 -3.545 1.00 0.00 O ATOM 0 H GLY A 68 4.277 -10.198 -1.540 1.00 0.00 H new ATOM 0 HA2 GLY A 68 6.293 -11.639 -0.880 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.194 -12.985 -1.109 1.00 0.00 H new ATOM 1245 N ALA A 80 3.213 -9.366 -10.229 1.00 0.00 N ATOM 1246 CA ALA A 80 2.816 -8.808 -11.510 1.00 0.00 C ATOM 1247 C ALA A 80 1.833 -7.658 -11.278 1.00 0.00 C ATOM 1248 O ALA A 80 2.056 -6.543 -11.746 1.00 0.00 O ATOM 1249 CB ALA A 80 2.223 -9.913 -12.387 1.00 0.00 C ATOM 0 HA ALA A 80 3.680 -8.403 -12.036 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.925 -9.494 -13.348 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.969 -10.691 -12.546 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.351 -10.342 -11.892 1.00 0.00 H new ATOM 1255 N GLY A 81 0.768 -7.970 -10.555 1.00 0.00 N ATOM 1256 CA GLY A 81 -0.250 -6.977 -10.255 1.00 0.00 C ATOM 1257 C GLY A 81 0.344 -5.804 -9.472 1.00 0.00 C ATOM 1258 O GLY A 81 -0.058 -4.657 -9.665 1.00 0.00 O ATOM 0 H GLY A 81 0.588 -8.896 -10.168 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.693 -6.613 -11.182 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.052 -7.436 -9.677 1.00 0.00 H new ATOM 1262 N LEU A 82 1.290 -6.131 -8.605 1.00 0.00 N ATOM 1263 CA LEU A 82 1.943 -5.119 -7.792 1.00 0.00 C ATOM 1264 C LEU A 82 2.578 -4.069 -8.705 1.00 0.00 C ATOM 1265 O LEU A 82 2.064 -2.959 -8.833 1.00 0.00 O ATOM 1266 CB LEU A 82 2.931 -5.767 -6.820 1.00 0.00 C ATOM 1267 CG LEU A 82 2.572 -5.673 -5.336 1.00 0.00 C ATOM 1268 CD1 LEU A 82 2.129 -4.256 -4.967 1.00 0.00 C ATOM 1269 CD2 LEU A 82 1.519 -6.718 -4.959 1.00 0.00 C ATOM 0 H LEU A 82 1.620 -7.083 -8.447 1.00 0.00 H new ATOM 0 HA LEU A 82 1.213 -4.601 -7.170 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.031 -6.820 -7.083 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.908 -5.308 -6.967 1.00 0.00 H new ATOM 0 HG LEU A 82 3.467 -5.892 -4.754 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.880 -4.217 -3.907 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.938 -3.556 -5.175 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.253 -3.984 -5.556 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.282 -6.629 -3.899 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.616 -6.554 -5.548 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.908 -7.716 -5.162 1.00 0.00 H new ATOM 1281 N VAL A 83 3.688 -4.457 -9.317 1.00 0.00 N ATOM 1282 CA VAL A 83 4.399 -3.562 -10.215 1.00 0.00 C ATOM 1283 C VAL A 83 3.429 -3.031 -11.272 1.00 0.00 C ATOM 1284 O VAL A 83 3.269 -1.820 -11.420 1.00 0.00 O ATOM 1285 CB VAL A 83 5.607 -4.280 -10.819 1.00 0.00 C ATOM 1286 CG1 VAL A 83 6.279 -3.417 -11.889 1.00 0.00 C ATOM 1287 CG2 VAL A 83 6.606 -4.683 -9.732 1.00 0.00 C ATOM 0 H VAL A 83 4.112 -5.378 -9.209 1.00 0.00 H new ATOM 0 HA VAL A 83 4.788 -2.702 -9.670 1.00 0.00 H new ATOM 0 HB VAL A 83 5.250 -5.191 -11.299 1.00 0.00 H new ATOM 0 HG11 VAL A 83 7.135 -3.951 -12.302 1.00 0.00 H new ATOM 0 HG12 VAL A 83 5.566 -3.203 -12.685 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.616 -2.481 -11.443 1.00 0.00 H new ATOM 0 HG21 VAL A 83 7.455 -5.192 -10.189 1.00 0.00 H new ATOM 0 HG22 VAL A 83 6.955 -3.792 -9.210 1.00 0.00 H new ATOM 0 HG23 VAL A 83 6.121 -5.353 -9.022 1.00 0.00 H new ATOM 1297 N ALA A 84 2.806 -3.962 -11.979 1.00 0.00 N ATOM 1298 CA ALA A 84 1.856 -3.602 -13.018 1.00 0.00 C ATOM 1299 C ALA A 84 0.936 -2.495 -12.501 1.00 0.00 C ATOM 1300 O ALA A 84 0.498 -1.638 -13.267 1.00 0.00 O ATOM 1301 CB ALA A 84 1.082 -4.847 -13.455 1.00 0.00 C ATOM 0 H ALA A 84 2.940 -4.965 -11.853 1.00 0.00 H new ATOM 0 HA ALA A 84 2.375 -3.216 -13.895 1.00 0.00 H new ATOM 0 HB1 ALA A 84 0.369 -4.577 -14.234 1.00 0.00 H new ATOM 0 HB2 ALA A 84 1.778 -5.591 -13.842 1.00 0.00 H new ATOM 0 HB3 ALA A 84 0.546 -5.261 -12.601 1.00 0.00 H new ATOM 1307 N GLY A 85 0.670 -2.548 -11.204 1.00 0.00 N ATOM 1308 CA GLY A 85 -0.190 -1.560 -10.575 1.00 0.00 C ATOM 1309 C GLY A 85 0.521 -0.211 -10.455 1.00 0.00 C ATOM 1310 O GLY A 85 -0.037 0.823 -10.817 1.00 0.00 O ATOM 0 H GLY A 85 1.035 -3.260 -10.571 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.103 -1.443 -11.159 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.487 -1.908 -9.586 1.00 0.00 H new ATOM 1314 N LEU A 86 1.743 -0.266 -9.947 1.00 0.00 N ATOM 1315 CA LEU A 86 2.537 0.940 -9.775 1.00 0.00 C ATOM 1316 C LEU A 86 2.555 1.725 -11.088 1.00 0.00 C ATOM 1317 O LEU A 86 2.429 2.948 -11.085 1.00 0.00 O ATOM 1318 CB LEU A 86 3.930 0.593 -9.246 1.00 0.00 C ATOM 1319 CG LEU A 86 5.094 0.849 -10.206 1.00 0.00 C ATOM 1320 CD1 LEU A 86 5.441 2.338 -10.263 1.00 0.00 C ATOM 1321 CD2 LEU A 86 6.307 -0.009 -9.838 1.00 0.00 C ATOM 0 H LEU A 86 2.203 -1.126 -9.649 1.00 0.00 H new ATOM 0 HA LEU A 86 2.088 1.588 -9.022 1.00 0.00 H new ATOM 0 HB2 LEU A 86 4.104 1.165 -8.335 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.939 -0.461 -8.968 1.00 0.00 H new ATOM 0 HG LEU A 86 4.782 0.553 -11.208 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.271 2.492 -10.952 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.574 2.901 -10.608 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.726 2.684 -9.269 1.00 0.00 H new ATOM 0 HD21 LEU A 86 7.120 0.192 -10.536 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.630 0.233 -8.825 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.036 -1.064 -9.891 1.00 0.00 H new ATOM 1333 N SER A 87 2.713 0.989 -12.178 1.00 0.00 N ATOM 1334 CA SER A 87 2.749 1.601 -13.495 1.00 0.00 C ATOM 1335 C SER A 87 1.375 2.178 -13.842 1.00 0.00 C ATOM 1336 O SER A 87 1.259 3.353 -14.185 1.00 0.00 O ATOM 1337 CB SER A 87 3.185 0.593 -14.560 1.00 0.00 C ATOM 1338 OG SER A 87 4.593 0.375 -14.544 1.00 0.00 O ATOM 0 H SER A 87 2.818 -0.026 -12.176 1.00 0.00 H new ATOM 0 HA SER A 87 3.481 2.408 -13.476 1.00 0.00 H new ATOM 0 HB2 SER A 87 2.670 -0.353 -14.396 1.00 0.00 H new ATOM 0 HB3 SER A 87 2.885 0.953 -15.544 1.00 0.00 H new ATOM 0 HG SER A 87 4.831 -0.276 -15.237 1.00 0.00 H new ATOM 1344 N LEU A 88 0.367 1.323 -13.741 1.00 0.00 N ATOM 1345 CA LEU A 88 -0.995 1.733 -14.040 1.00 0.00 C ATOM 1346 C LEU A 88 -1.343 2.973 -13.213 1.00 0.00 C ATOM 1347 O LEU A 88 -2.244 3.730 -13.571 1.00 0.00 O ATOM 1348 CB LEU A 88 -1.962 0.566 -13.835 1.00 0.00 C ATOM 1349 CG LEU A 88 -2.398 -0.174 -15.102 1.00 0.00 C ATOM 1350 CD1 LEU A 88 -2.260 -1.687 -14.927 1.00 0.00 C ATOM 1351 CD2 LEU A 88 -3.816 0.229 -15.512 1.00 0.00 C ATOM 0 H LEU A 88 0.466 0.349 -13.456 1.00 0.00 H new ATOM 0 HA LEU A 88 -1.087 2.013 -15.089 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.496 -0.152 -13.161 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.853 0.942 -13.333 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.733 0.118 -15.915 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.576 -2.189 -15.841 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.220 -1.936 -14.717 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.886 -2.016 -14.097 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -4.101 -0.311 -16.415 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.510 -0.016 -14.708 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.848 1.301 -15.705 1.00 0.00 H new ATOM 1363 N MET A 89 -0.610 3.142 -12.122 1.00 0.00 N ATOM 1364 CA MET A 89 -0.830 4.277 -11.242 1.00 0.00 C ATOM 1365 C MET A 89 -0.183 5.543 -11.807 1.00 0.00 C ATOM 1366 O MET A 89 -0.879 6.475 -12.205 1.00 0.00 O ATOM 1367 CB MET A 89 -0.241 3.974 -9.862 1.00 0.00 C ATOM 1368 CG MET A 89 -0.800 4.929 -8.806 1.00 0.00 C ATOM 1369 SD MET A 89 0.535 5.794 -7.996 1.00 0.00 S ATOM 1370 CE MET A 89 0.865 7.060 -9.209 1.00 0.00 C ATOM 0 H MET A 89 0.136 2.512 -11.828 1.00 0.00 H new ATOM 0 HA MET A 89 -1.904 4.447 -11.160 1.00 0.00 H new ATOM 0 HB2 MET A 89 -0.468 2.945 -9.584 1.00 0.00 H new ATOM 0 HB3 MET A 89 0.845 4.062 -9.899 1.00 0.00 H new ATOM 0 HG2 MET A 89 -1.477 5.644 -9.273 1.00 0.00 H new ATOM 0 HG3 MET A 89 -1.382 4.372 -8.072 1.00 0.00 H new ATOM 0 HE1 MET A 89 1.752 6.792 -9.782 1.00 0.00 H new ATOM 0 HE2 MET A 89 0.012 7.151 -9.881 1.00 0.00 H new ATOM 0 HE3 MET A 89 1.033 8.012 -8.705 1.00 0.00 H new ATOM 1380 N MET A 90 1.142 5.535 -11.823 1.00 0.00 N ATOM 1381 CA MET A 90 1.891 6.671 -12.333 1.00 0.00 C ATOM 1382 C MET A 90 1.336 7.133 -13.682 1.00 0.00 C ATOM 1383 O MET A 90 1.487 8.296 -14.054 1.00 0.00 O ATOM 1384 CB MET A 90 3.362 6.283 -12.492 1.00 0.00 C ATOM 1385 CG MET A 90 3.589 5.516 -13.796 1.00 0.00 C ATOM 1386 SD MET A 90 4.155 6.631 -15.070 1.00 0.00 S ATOM 1387 CE MET A 90 3.870 5.621 -16.514 1.00 0.00 C ATOM 0 H MET A 90 1.716 4.760 -11.491 1.00 0.00 H new ATOM 0 HA MET A 90 1.797 7.492 -11.622 1.00 0.00 H new ATOM 0 HB2 MET A 90 3.982 7.180 -12.481 1.00 0.00 H new ATOM 0 HB3 MET A 90 3.673 5.670 -11.646 1.00 0.00 H new ATOM 0 HG2 MET A 90 4.324 4.726 -13.640 1.00 0.00 H new ATOM 0 HG3 MET A 90 2.663 5.033 -14.109 1.00 0.00 H new ATOM 0 HE1 MET A 90 4.826 5.310 -16.935 1.00 0.00 H new ATOM 0 HE2 MET A 90 3.293 4.740 -16.234 1.00 0.00 H new ATOM 0 HE3 MET A 90 3.317 6.196 -17.257 1.00 0.00 H new ATOM 1397 N ILE A 91 0.705 6.198 -14.377 1.00 0.00 N ATOM 1398 CA ILE A 91 0.127 6.495 -15.677 1.00 0.00 C ATOM 1399 C ILE A 91 -1.287 7.046 -15.487 1.00 0.00 C ATOM 1400 O ILE A 91 -1.666 8.027 -16.126 1.00 0.00 O ATOM 1401 CB ILE A 91 0.191 5.265 -16.585 1.00 0.00 C ATOM 1402 CG1 ILE A 91 0.499 5.665 -18.029 1.00 0.00 C ATOM 1403 CG2 ILE A 91 -1.093 4.439 -16.480 1.00 0.00 C ATOM 1404 CD1 ILE A 91 1.060 4.480 -18.819 1.00 0.00 C ATOM 0 H ILE A 91 0.581 5.235 -14.065 1.00 0.00 H new ATOM 0 HA ILE A 91 0.705 7.267 -16.184 1.00 0.00 H new ATOM 0 HB ILE A 91 1.010 4.631 -16.245 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.408 6.031 -18.510 1.00 0.00 H new ATOM 0 HG13 ILE A 91 1.217 6.485 -18.038 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.022 3.571 -17.135 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -1.229 4.107 -15.451 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.944 5.050 -16.779 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.270 4.792 -19.842 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.980 4.132 -18.349 1.00 0.00 H new ATOM 0 HD13 ILE A 91 0.330 3.671 -18.829 1.00 0.00 H new ATOM 1416 N LEU A 92 -2.030 6.392 -14.606 1.00 0.00 N ATOM 1417 CA LEU A 92 -3.394 6.805 -14.324 1.00 0.00 C ATOM 1418 C LEU A 92 -3.392 8.250 -13.821 1.00 0.00 C ATOM 1419 O LEU A 92 -4.410 8.936 -13.887 1.00 0.00 O ATOM 1420 CB LEU A 92 -4.064 5.820 -13.364 1.00 0.00 C ATOM 1421 CG LEU A 92 -5.220 6.378 -12.530 1.00 0.00 C ATOM 1422 CD1 LEU A 92 -6.170 5.261 -12.094 1.00 0.00 C ATOM 1423 CD2 LEU A 92 -4.697 7.183 -11.338 1.00 0.00 C ATOM 0 H LEU A 92 -1.713 5.579 -14.078 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.994 6.786 -15.234 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -4.435 4.974 -13.943 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -3.305 5.433 -12.684 1.00 0.00 H new ATOM 0 HG LEU A 92 -5.793 7.063 -13.155 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -6.982 5.684 -11.503 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -6.581 4.768 -12.975 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -5.625 4.534 -11.493 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -5.538 7.568 -10.762 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -4.087 6.539 -10.704 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -4.092 8.015 -11.698 1.00 0.00 H new ATOM 1435 N ARG A 93 -2.235 8.669 -13.328 1.00 0.00 N ATOM 1436 CA ARG A 93 -2.087 10.020 -12.814 1.00 0.00 C ATOM 1437 C ARG A 93 -1.483 10.932 -13.883 1.00 0.00 C ATOM 1438 O ARG A 93 -1.953 12.050 -14.088 1.00 0.00 O ATOM 1439 CB ARG A 93 -1.194 10.041 -11.572 1.00 0.00 C ATOM 1440 CG ARG A 93 -2.028 10.201 -10.299 1.00 0.00 C ATOM 1441 CD ARG A 93 -2.321 11.676 -10.018 1.00 0.00 C ATOM 1442 NE ARG A 93 -3.737 11.843 -9.621 1.00 0.00 N ATOM 1443 CZ ARG A 93 -4.178 11.767 -8.358 1.00 0.00 C ATOM 1444 NH1 ARG A 93 -3.316 11.526 -7.361 1.00 0.00 N ATOM 1445 NH2 ARG A 93 -5.481 11.933 -8.092 1.00 0.00 N ATOM 0 H ARG A 93 -1.392 8.097 -13.274 1.00 0.00 H new ATOM 0 HA ARG A 93 -3.079 10.382 -12.542 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -0.617 9.118 -11.519 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -0.479 10.860 -11.648 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -2.965 9.654 -10.402 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -1.496 9.765 -9.454 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -1.667 12.041 -9.226 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -2.111 12.273 -10.905 1.00 0.00 H new ATOM 0 HE ARG A 93 -4.420 12.028 -10.355 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -2.324 11.400 -7.563 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -3.652 11.468 -6.400 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -6.137 12.117 -8.851 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -5.817 11.875 -7.131 1.00 0.00 H new ATOM 1459 N LEU A 94 -0.450 10.420 -14.537 1.00 0.00 N ATOM 1460 CA LEU A 94 0.223 11.175 -15.581 1.00 0.00 C ATOM 1461 C LEU A 94 -0.790 11.558 -16.661 1.00 0.00 C ATOM 1462 O LEU A 94 -0.540 12.460 -17.460 1.00 0.00 O ATOM 1463 CB LEU A 94 1.426 10.395 -16.114 1.00 0.00 C ATOM 1464 CG LEU A 94 1.985 10.863 -17.460 1.00 0.00 C ATOM 1465 CD1 LEU A 94 3.515 10.870 -17.445 1.00 0.00 C ATOM 1466 CD2 LEU A 94 1.427 10.020 -18.608 1.00 0.00 C ATOM 0 H LEU A 94 -0.063 9.492 -14.364 1.00 0.00 H new ATOM 0 HA LEU A 94 0.627 12.104 -15.180 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.224 10.446 -15.374 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.143 9.346 -16.205 1.00 0.00 H new ATOM 0 HG LEU A 94 1.660 11.890 -17.627 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.887 11.206 -18.413 1.00 0.00 H new ATOM 0 HD12 LEU A 94 3.868 11.546 -16.666 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.882 9.863 -17.245 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.840 10.373 -19.553 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.702 8.976 -18.460 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.341 10.110 -18.631 1.00 0.00 H new ATOM 1478 N VAL A 95 -1.912 10.854 -16.652 1.00 0.00 N ATOM 1479 CA VAL A 95 -2.964 11.109 -17.621 1.00 0.00 C ATOM 1480 C VAL A 95 -3.417 12.565 -17.505 1.00 0.00 C ATOM 1481 O VAL A 95 -3.319 13.329 -18.464 1.00 0.00 O ATOM 1482 CB VAL A 95 -4.107 10.110 -17.428 1.00 0.00 C ATOM 1483 CG1 VAL A 95 -5.445 10.718 -17.855 1.00 0.00 C ATOM 1484 CG2 VAL A 95 -3.831 8.808 -18.183 1.00 0.00 C ATOM 0 H VAL A 95 -2.116 10.107 -15.988 1.00 0.00 H new ATOM 0 HA VAL A 95 -2.592 10.965 -18.635 1.00 0.00 H new ATOM 0 HB VAL A 95 -4.170 9.874 -16.366 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -6.240 9.987 -17.708 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.650 11.604 -17.254 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -5.399 10.996 -18.908 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -4.659 8.116 -18.029 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -3.728 9.019 -19.247 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -2.909 8.360 -17.811 1.00 0.00 H new ATOM 1494 N LEU A 96 -3.904 12.907 -16.321 1.00 0.00 N ATOM 1495 CA LEU A 96 -4.372 14.259 -16.066 1.00 0.00 C ATOM 1496 C LEU A 96 -3.183 15.144 -15.688 1.00 0.00 C ATOM 1497 O LEU A 96 -3.070 16.274 -16.161 1.00 0.00 O ATOM 1498 CB LEU A 96 -5.489 14.251 -15.021 1.00 0.00 C ATOM 1499 CG LEU A 96 -5.084 13.820 -13.610 1.00 0.00 C ATOM 1500 CD1 LEU A 96 -5.968 14.491 -12.556 1.00 0.00 C ATOM 1501 CD2 LEU A 96 -5.092 12.296 -13.478 1.00 0.00 C ATOM 0 H LEU A 96 -3.985 12.271 -15.528 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.813 14.685 -16.967 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -5.915 15.253 -14.965 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -6.280 13.587 -15.369 1.00 0.00 H new ATOM 0 HG LEU A 96 -4.061 14.153 -13.432 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -5.659 14.167 -11.562 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -5.868 15.574 -12.633 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -7.008 14.211 -12.722 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -4.800 12.017 -12.465 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -6.093 11.918 -13.684 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -4.388 11.865 -14.190 1.00 0.00 H new