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 88:sc= 0.625 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 -147:sc= -3.09! USER MOD Single : A 59 THR OG1 : rot 86:sc= 0.948 USER MOD Single : A 65 THR OG1 : rot 90:sc= 0.436 USER MOD Single : A 67 MET CE :methyl -168:sc= -0.0227 (180deg=-0.248) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl -130:sc= -2.83 (180deg=-8.25!) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 102 N TYR A 8 -23.348 6.104 19.113 1.00 0.00 N ATOM 103 CA TYR A 8 -21.909 6.175 19.302 1.00 0.00 C ATOM 104 C TYR A 8 -21.318 4.784 19.542 1.00 0.00 C ATOM 105 O TYR A 8 -20.319 4.416 18.926 1.00 0.00 O ATOM 106 CB TYR A 8 -21.690 7.032 20.551 1.00 0.00 C ATOM 107 CG TYR A 8 -20.300 7.667 20.633 1.00 0.00 C ATOM 108 CD1 TYR A 8 -19.269 6.993 21.254 1.00 0.00 C ATOM 109 CD2 TYR A 8 -20.079 8.915 20.087 1.00 0.00 C ATOM 110 CE1 TYR A 8 -17.961 7.591 21.332 1.00 0.00 C ATOM 111 CE2 TYR A 8 -18.771 9.513 20.165 1.00 0.00 C ATOM 112 CZ TYR A 8 -17.777 8.822 20.784 1.00 0.00 C ATOM 113 OH TYR A 8 -16.542 9.387 20.857 1.00 0.00 O ATOM 0 HA TYR A 8 -21.426 6.592 18.418 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -22.441 7.822 20.574 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -21.849 6.415 21.435 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -19.443 6.017 21.682 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -20.886 9.443 19.601 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -17.145 7.074 21.815 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -18.584 10.489 19.741 1.00 0.00 H new ATOM 0 HH TYR A 8 -16.558 10.266 20.423 1.00 0.00 H new ATOM 123 N ALA A 9 -21.961 4.050 20.439 1.00 0.00 N ATOM 124 CA ALA A 9 -21.512 2.708 20.767 1.00 0.00 C ATOM 125 C ALA A 9 -21.823 1.770 19.600 1.00 0.00 C ATOM 126 O ALA A 9 -21.126 0.778 19.393 1.00 0.00 O ATOM 127 CB ALA A 9 -22.171 2.254 22.072 1.00 0.00 C ATOM 0 H ALA A 9 -22.789 4.360 20.948 1.00 0.00 H new ATOM 0 HA ALA A 9 -20.433 2.692 20.923 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -21.834 1.247 22.318 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -21.894 2.936 22.876 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -23.254 2.255 21.952 1.00 0.00 H new ATOM 133 N ALA A 10 -22.871 2.117 18.867 1.00 0.00 N ATOM 134 CA ALA A 10 -23.283 1.319 17.725 1.00 0.00 C ATOM 135 C ALA A 10 -22.214 1.405 16.634 1.00 0.00 C ATOM 136 O ALA A 10 -21.662 0.387 16.219 1.00 0.00 O ATOM 137 CB ALA A 10 -24.653 1.795 17.237 1.00 0.00 C ATOM 0 H ALA A 10 -23.447 2.940 19.042 1.00 0.00 H new ATOM 0 HA ALA A 10 -23.383 0.271 18.006 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -24.962 1.196 16.380 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -25.383 1.685 18.039 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -24.591 2.843 16.944 1.00 0.00 H new ATOM 143 N LEU A 11 -21.952 2.630 16.202 1.00 0.00 N ATOM 144 CA LEU A 11 -20.958 2.863 15.168 1.00 0.00 C ATOM 145 C LEU A 11 -19.609 2.310 15.631 1.00 0.00 C ATOM 146 O LEU A 11 -18.884 1.696 14.849 1.00 0.00 O ATOM 147 CB LEU A 11 -20.919 4.344 14.787 1.00 0.00 C ATOM 148 CG LEU A 11 -20.178 5.267 15.757 1.00 0.00 C ATOM 149 CD1 LEU A 11 -18.688 5.337 15.418 1.00 0.00 C ATOM 150 CD2 LEU A 11 -20.823 6.654 15.794 1.00 0.00 C ATOM 0 H LEU A 11 -22.411 3.472 16.549 1.00 0.00 H new ATOM 0 HA LEU A 11 -21.224 2.331 14.255 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -20.455 4.434 13.805 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -21.944 4.701 14.689 1.00 0.00 H new ATOM 0 HG LEU A 11 -20.260 4.846 16.759 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -18.185 6.000 16.123 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -18.253 4.340 15.484 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -18.563 5.722 14.406 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -20.278 7.290 16.491 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -20.792 7.096 14.798 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -21.859 6.565 16.119 1.00 0.00 H new ATOM 162 N VAL A 12 -19.311 2.548 16.900 1.00 0.00 N ATOM 163 CA VAL A 12 -18.061 2.082 17.476 1.00 0.00 C ATOM 164 C VAL A 12 -17.943 0.571 17.270 1.00 0.00 C ATOM 165 O VAL A 12 -16.910 0.082 16.814 1.00 0.00 O ATOM 166 CB VAL A 12 -17.977 2.494 18.947 1.00 0.00 C ATOM 167 CG1 VAL A 12 -16.923 1.669 19.688 1.00 0.00 C ATOM 168 CG2 VAL A 12 -17.696 3.992 19.081 1.00 0.00 C ATOM 0 H VAL A 12 -19.914 3.058 17.546 1.00 0.00 H new ATOM 0 HA VAL A 12 -17.212 2.546 16.974 1.00 0.00 H new ATOM 0 HB VAL A 12 -18.944 2.292 19.408 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -16.884 1.982 20.731 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -17.185 0.612 19.636 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -15.948 1.824 19.226 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -17.641 4.259 20.136 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -16.749 4.229 18.597 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -18.498 4.557 18.605 1.00 0.00 H new ATOM 178 N THR A 13 -19.014 -0.127 17.617 1.00 0.00 N ATOM 179 CA THR A 13 -19.043 -1.573 17.477 1.00 0.00 C ATOM 180 C THR A 13 -18.912 -1.969 16.004 1.00 0.00 C ATOM 181 O THR A 13 -18.315 -2.996 15.684 1.00 0.00 O ATOM 182 CB THR A 13 -20.327 -2.087 18.132 1.00 0.00 C ATOM 183 OG1 THR A 13 -20.102 -1.902 19.527 1.00 0.00 O ATOM 184 CG2 THR A 13 -20.498 -3.599 17.979 1.00 0.00 C ATOM 0 H THR A 13 -19.869 0.282 17.995 1.00 0.00 H new ATOM 0 HA THR A 13 -18.196 -2.036 17.983 1.00 0.00 H new ATOM 0 HB THR A 13 -21.186 -1.579 17.694 1.00 0.00 H new ATOM 0 HG1 THR A 13 -20.381 -0.999 19.786 1.00 0.00 H new ATOM 0 HG21 THR A 13 -21.424 -3.911 18.461 1.00 0.00 H new ATOM 0 HG22 THR A 13 -20.536 -3.856 16.920 1.00 0.00 H new ATOM 0 HG23 THR A 13 -19.656 -4.110 18.446 1.00 0.00 H new ATOM 192 N PHE A 14 -19.480 -1.133 15.147 1.00 0.00 N ATOM 193 CA PHE A 14 -19.434 -1.382 13.717 1.00 0.00 C ATOM 194 C PHE A 14 -17.999 -1.306 13.193 1.00 0.00 C ATOM 195 O PHE A 14 -17.522 -2.234 12.541 1.00 0.00 O ATOM 196 CB PHE A 14 -20.268 -0.290 13.045 1.00 0.00 C ATOM 197 CG PHE A 14 -20.889 -0.712 11.712 1.00 0.00 C ATOM 198 CD1 PHE A 14 -21.888 -1.634 11.689 1.00 0.00 C ATOM 199 CD2 PHE A 14 -20.442 -0.164 10.550 1.00 0.00 C ATOM 200 CE1 PHE A 14 -22.465 -2.025 10.452 1.00 0.00 C ATOM 201 CE2 PHE A 14 -21.018 -0.556 9.313 1.00 0.00 C ATOM 202 CZ PHE A 14 -22.017 -1.478 9.290 1.00 0.00 C ATOM 0 H PHE A 14 -19.974 -0.282 15.416 1.00 0.00 H new ATOM 0 HA PHE A 14 -19.819 -2.379 13.501 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -21.064 0.015 13.724 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -19.638 0.584 12.880 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -22.243 -2.069 12.612 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -19.649 0.569 10.568 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -23.259 -2.756 10.434 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -20.663 -0.122 8.390 1.00 0.00 H new ATOM 0 HZ PHE A 14 -22.455 -1.776 8.349 1.00 0.00 H new ATOM 212 N GLY A 15 -17.350 -0.192 13.497 1.00 0.00 N ATOM 213 CA GLY A 15 -15.979 0.017 13.065 1.00 0.00 C ATOM 214 C GLY A 15 -15.031 -0.969 13.750 1.00 0.00 C ATOM 215 O GLY A 15 -13.972 -1.293 13.214 1.00 0.00 O ATOM 0 H GLY A 15 -17.749 0.576 14.038 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -15.913 -0.101 11.983 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -15.674 1.038 13.293 1.00 0.00 H new ATOM 219 N SER A 16 -15.445 -1.419 14.926 1.00 0.00 N ATOM 220 CA SER A 16 -14.647 -2.362 15.690 1.00 0.00 C ATOM 221 C SER A 16 -14.616 -3.717 14.980 1.00 0.00 C ATOM 222 O SER A 16 -13.545 -4.283 14.761 1.00 0.00 O ATOM 223 CB SER A 16 -15.191 -2.520 17.111 1.00 0.00 C ATOM 224 OG SER A 16 -14.237 -2.127 18.094 1.00 0.00 O ATOM 0 H SER A 16 -16.323 -1.147 15.368 1.00 0.00 H new ATOM 0 HA SER A 16 -13.632 -1.972 15.760 1.00 0.00 H new ATOM 0 HB2 SER A 16 -16.094 -1.920 17.222 1.00 0.00 H new ATOM 0 HB3 SER A 16 -15.476 -3.559 17.277 1.00 0.00 H new ATOM 0 HG SER A 16 -14.622 -2.241 18.988 1.00 0.00 H new ATOM 230 N ILE A 17 -15.802 -4.199 14.641 1.00 0.00 N ATOM 231 CA ILE A 17 -15.924 -5.477 13.961 1.00 0.00 C ATOM 232 C ILE A 17 -15.300 -5.371 12.568 1.00 0.00 C ATOM 233 O ILE A 17 -14.334 -6.069 12.262 1.00 0.00 O ATOM 234 CB ILE A 17 -17.383 -5.940 13.947 1.00 0.00 C ATOM 235 CG1 ILE A 17 -17.883 -6.220 15.366 1.00 0.00 C ATOM 236 CG2 ILE A 17 -17.566 -7.147 13.026 1.00 0.00 C ATOM 237 CD1 ILE A 17 -19.407 -6.354 15.394 1.00 0.00 C ATOM 0 H ILE A 17 -16.688 -3.727 14.825 1.00 0.00 H new ATOM 0 HA ILE A 17 -15.374 -6.248 14.500 1.00 0.00 H new ATOM 0 HB ILE A 17 -17.994 -5.132 13.544 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -17.427 -7.136 15.742 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -17.573 -5.413 16.030 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -18.611 -7.456 13.034 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -17.275 -6.877 12.011 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -16.942 -7.969 13.376 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -19.736 -6.553 16.414 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -19.860 -5.428 15.040 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -19.712 -7.177 14.748 1.00 0.00 H new ATOM 249 N PHE A 18 -15.876 -4.492 11.762 1.00 0.00 N ATOM 250 CA PHE A 18 -15.388 -4.285 10.409 1.00 0.00 C ATOM 251 C PHE A 18 -13.861 -4.187 10.386 1.00 0.00 C ATOM 252 O PHE A 18 -13.204 -4.865 9.599 1.00 0.00 O ATOM 253 CB PHE A 18 -15.980 -2.962 9.917 1.00 0.00 C ATOM 254 CG PHE A 18 -16.316 -2.948 8.425 1.00 0.00 C ATOM 255 CD1 PHE A 18 -15.372 -2.580 7.518 1.00 0.00 C ATOM 256 CD2 PHE A 18 -17.560 -3.304 8.005 1.00 0.00 C ATOM 257 CE1 PHE A 18 -15.684 -2.566 6.133 1.00 0.00 C ATOM 258 CE2 PHE A 18 -17.872 -3.290 6.620 1.00 0.00 C ATOM 259 CZ PHE A 18 -16.928 -2.922 5.713 1.00 0.00 C ATOM 0 H PHE A 18 -16.676 -3.915 12.020 1.00 0.00 H new ATOM 0 HA PHE A 18 -15.681 -5.122 9.776 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -16.885 -2.747 10.485 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -15.274 -2.159 10.128 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -14.384 -2.298 7.851 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -18.310 -3.597 8.725 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -14.934 -2.273 5.413 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -18.860 -3.572 6.287 1.00 0.00 H new ATOM 0 HZ PHE A 18 -17.166 -2.912 4.660 1.00 0.00 H new ATOM 441 N ILE A 30 -5.709 -8.249 -7.147 1.00 0.00 N ATOM 442 CA ILE A 30 -6.684 -7.433 -6.444 1.00 0.00 C ATOM 443 C ILE A 30 -5.965 -6.568 -5.407 1.00 0.00 C ATOM 444 O ILE A 30 -6.405 -5.459 -5.105 1.00 0.00 O ATOM 445 CB ILE A 30 -7.789 -8.310 -5.852 1.00 0.00 C ATOM 446 CG1 ILE A 30 -9.161 -7.654 -6.025 1.00 0.00 C ATOM 447 CG2 ILE A 30 -7.496 -8.649 -4.389 1.00 0.00 C ATOM 448 CD1 ILE A 30 -9.409 -6.607 -4.937 1.00 0.00 C ATOM 0 HA ILE A 30 -7.183 -6.755 -7.136 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.810 -9.251 -6.402 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -9.223 -7.185 -7.007 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -9.940 -8.416 -5.986 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -8.297 -9.273 -3.993 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.550 -9.187 -4.322 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -7.432 -7.729 -3.808 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -10.391 -6.156 -5.083 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -9.371 -7.084 -3.958 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -8.643 -5.834 -4.994 1.00 0.00 H new ATOM 460 N ALA A 31 -4.870 -7.106 -4.890 1.00 0.00 N ATOM 461 CA ALA A 31 -4.086 -6.396 -3.894 1.00 0.00 C ATOM 462 C ALA A 31 -3.497 -5.131 -4.521 1.00 0.00 C ATOM 463 O ALA A 31 -3.512 -4.065 -3.907 1.00 0.00 O ATOM 464 CB ALA A 31 -3.007 -7.327 -3.336 1.00 0.00 C ATOM 0 H ALA A 31 -4.507 -8.025 -5.142 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.715 -6.087 -3.059 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.418 -6.795 -2.589 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.478 -8.195 -2.876 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.355 -7.655 -4.146 1.00 0.00 H new ATOM 470 N GLY A 32 -2.993 -5.290 -5.736 1.00 0.00 N ATOM 471 CA GLY A 32 -2.400 -4.174 -6.452 1.00 0.00 C ATOM 472 C GLY A 32 -3.449 -3.104 -6.764 1.00 0.00 C ATOM 473 O GLY A 32 -3.229 -1.921 -6.507 1.00 0.00 O ATOM 0 H GLY A 32 -2.983 -6.175 -6.243 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.598 -3.739 -5.855 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.951 -4.529 -7.379 1.00 0.00 H new ATOM 477 N LEU A 33 -4.566 -3.558 -7.313 1.00 0.00 N ATOM 478 CA LEU A 33 -5.649 -2.654 -7.662 1.00 0.00 C ATOM 479 C LEU A 33 -6.013 -1.806 -6.442 1.00 0.00 C ATOM 480 O LEU A 33 -6.046 -0.579 -6.522 1.00 0.00 O ATOM 481 CB LEU A 33 -6.830 -3.433 -8.244 1.00 0.00 C ATOM 482 CG LEU A 33 -8.151 -2.669 -8.348 1.00 0.00 C ATOM 483 CD1 LEU A 33 -8.513 -2.396 -9.810 1.00 0.00 C ATOM 484 CD2 LEU A 33 -9.270 -3.406 -7.609 1.00 0.00 C ATOM 0 H LEU A 33 -4.745 -4.540 -7.525 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.333 -1.966 -8.446 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.555 -3.781 -9.240 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.993 -4.319 -7.631 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.026 -1.702 -7.861 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.456 -1.852 -9.856 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.727 -1.800 -10.274 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.614 -3.342 -10.343 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.198 -2.842 -7.698 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.404 -4.396 -8.045 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.006 -3.506 -6.556 1.00 0.00 H new ATOM 496 N PHE A 34 -6.278 -2.494 -5.341 1.00 0.00 N ATOM 497 CA PHE A 34 -6.639 -1.819 -4.106 1.00 0.00 C ATOM 498 C PHE A 34 -5.595 -0.764 -3.732 1.00 0.00 C ATOM 499 O PHE A 34 -5.938 0.388 -3.470 1.00 0.00 O ATOM 500 CB PHE A 34 -6.683 -2.886 -3.010 1.00 0.00 C ATOM 501 CG PHE A 34 -7.450 -2.459 -1.756 1.00 0.00 C ATOM 502 CD1 PHE A 34 -6.848 -1.669 -0.827 1.00 0.00 C ATOM 503 CD2 PHE A 34 -8.733 -2.869 -1.572 1.00 0.00 C ATOM 504 CE1 PHE A 34 -7.559 -1.273 0.336 1.00 0.00 C ATOM 505 CE2 PHE A 34 -9.444 -2.473 -0.408 1.00 0.00 C ATOM 506 CZ PHE A 34 -8.843 -1.684 0.521 1.00 0.00 C ATOM 0 H PHE A 34 -6.250 -3.512 -5.279 1.00 0.00 H new ATOM 0 HA PHE A 34 -7.599 -1.316 -4.224 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -7.141 -3.789 -3.414 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -5.662 -3.145 -2.729 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -5.829 -1.343 -0.974 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -9.211 -3.495 -2.310 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -7.081 -0.646 1.074 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -10.463 -2.799 -0.261 1.00 0.00 H new ATOM 0 HZ PHE A 34 -9.384 -1.383 1.406 1.00 0.00 H new ATOM 516 N VAL A 35 -4.342 -1.196 -3.719 1.00 0.00 N ATOM 517 CA VAL A 35 -3.247 -0.303 -3.382 1.00 0.00 C ATOM 518 C VAL A 35 -3.351 0.968 -4.229 1.00 0.00 C ATOM 519 O VAL A 35 -3.127 2.070 -3.731 1.00 0.00 O ATOM 520 CB VAL A 35 -1.910 -1.027 -3.554 1.00 0.00 C ATOM 521 CG1 VAL A 35 -0.792 -0.040 -3.895 1.00 0.00 C ATOM 522 CG2 VAL A 35 -1.563 -1.839 -2.304 1.00 0.00 C ATOM 0 H VAL A 35 -4.061 -2.152 -3.936 1.00 0.00 H new ATOM 0 HA VAL A 35 -3.308 -0.003 -2.336 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.009 -1.721 -4.388 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.147 -0.580 -4.012 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.032 0.475 -4.825 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.693 0.690 -3.091 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.608 -2.344 -2.452 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.492 -1.172 -1.445 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.342 -2.580 -2.124 1.00 0.00 H new ATOM 532 N GLY A 36 -3.692 0.771 -5.494 1.00 0.00 N ATOM 533 CA GLY A 36 -3.829 1.887 -6.414 1.00 0.00 C ATOM 534 C GLY A 36 -5.085 2.703 -6.104 1.00 0.00 C ATOM 535 O GLY A 36 -5.130 3.904 -6.365 1.00 0.00 O ATOM 0 H GLY A 36 -3.877 -0.145 -5.903 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.950 2.527 -6.348 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -3.876 1.515 -7.438 1.00 0.00 H new ATOM 539 N CYS A 37 -6.076 2.018 -5.551 1.00 0.00 N ATOM 540 CA CYS A 37 -7.329 2.664 -5.203 1.00 0.00 C ATOM 541 C CYS A 37 -7.055 3.673 -4.086 1.00 0.00 C ATOM 542 O CYS A 37 -7.445 4.836 -4.187 1.00 0.00 O ATOM 543 CB CYS A 37 -8.398 1.645 -4.801 1.00 0.00 C ATOM 544 SG CYS A 37 -9.968 2.011 -5.666 1.00 0.00 S ATOM 0 H CYS A 37 -6.036 1.022 -5.336 1.00 0.00 H new ATOM 0 HA CYS A 37 -7.726 3.186 -6.074 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -8.063 0.638 -5.048 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -8.552 1.674 -3.722 1.00 0.00 H new ATOM 0 HG CYS A 37 -10.868 1.139 -5.320 1.00 0.00 H new ATOM 550 N LEU A 38 -6.387 3.193 -3.048 1.00 0.00 N ATOM 551 CA LEU A 38 -6.056 4.039 -1.914 1.00 0.00 C ATOM 552 C LEU A 38 -5.066 5.117 -2.359 1.00 0.00 C ATOM 553 O LEU A 38 -5.193 6.278 -1.974 1.00 0.00 O ATOM 554 CB LEU A 38 -5.558 3.192 -0.741 1.00 0.00 C ATOM 555 CG LEU A 38 -4.060 2.883 -0.726 1.00 0.00 C ATOM 556 CD1 LEU A 38 -3.277 3.997 -0.027 1.00 0.00 C ATOM 557 CD2 LEU A 38 -3.788 1.513 -0.102 1.00 0.00 C ATOM 0 H LEU A 38 -6.066 2.228 -2.968 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.945 4.554 -1.550 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.812 3.706 0.186 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.104 2.248 -0.742 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.710 2.842 -1.757 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.215 3.752 -0.030 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.434 4.938 -0.554 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.624 4.095 1.002 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.715 1.319 -0.104 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.157 1.501 0.924 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.297 0.742 -0.680 1.00 0.00 H new ATOM 569 N ALA A 39 -4.102 4.694 -3.164 1.00 0.00 N ATOM 570 CA ALA A 39 -3.091 5.608 -3.666 1.00 0.00 C ATOM 571 C ALA A 39 -3.776 6.811 -4.319 1.00 0.00 C ATOM 572 O ALA A 39 -3.385 7.954 -4.086 1.00 0.00 O ATOM 573 CB ALA A 39 -2.167 4.867 -4.634 1.00 0.00 C ATOM 0 H ALA A 39 -4.000 3.730 -3.481 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.474 5.983 -2.850 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -1.409 5.553 -5.010 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.683 4.041 -4.114 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.751 4.478 -5.468 1.00 0.00 H new ATOM 579 N GLY A 40 -4.785 6.512 -5.124 1.00 0.00 N ATOM 580 CA GLY A 40 -5.527 7.554 -5.812 1.00 0.00 C ATOM 581 C GLY A 40 -6.282 8.438 -4.817 1.00 0.00 C ATOM 582 O GLY A 40 -6.152 9.661 -4.845 1.00 0.00 O ATOM 0 H GLY A 40 -5.106 5.563 -5.315 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.842 8.165 -6.400 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.232 7.103 -6.511 1.00 0.00 H new ATOM 768 N ASP A 52 3.612 10.077 -4.064 1.00 0.00 N ATOM 769 CA ASP A 52 2.610 9.794 -5.077 1.00 0.00 C ATOM 770 C ASP A 52 3.058 8.590 -5.908 1.00 0.00 C ATOM 771 O ASP A 52 2.420 7.539 -5.878 1.00 0.00 O ATOM 772 CB ASP A 52 2.434 10.983 -6.024 1.00 0.00 C ATOM 773 CG ASP A 52 1.850 12.242 -5.380 1.00 0.00 C ATOM 774 OD1 ASP A 52 2.580 13.063 -4.805 1.00 0.00 O ATOM 775 OD2 ASP A 52 0.570 12.366 -5.487 1.00 0.00 O ATOM 0 HA ASP A 52 1.666 9.593 -4.571 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.404 11.231 -6.456 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.786 10.680 -6.847 1.00 0.00 H new ATOM 780 N VAL A 53 4.152 8.784 -6.631 1.00 0.00 N ATOM 781 CA VAL A 53 4.692 7.727 -7.468 1.00 0.00 C ATOM 782 C VAL A 53 5.718 6.922 -6.668 1.00 0.00 C ATOM 783 O VAL A 53 5.908 5.732 -6.914 1.00 0.00 O ATOM 784 CB VAL A 53 5.270 8.322 -8.754 1.00 0.00 C ATOM 785 CG1 VAL A 53 5.986 7.251 -9.580 1.00 0.00 C ATOM 786 CG2 VAL A 53 4.180 9.011 -9.577 1.00 0.00 C ATOM 0 H VAL A 53 4.678 9.657 -6.654 1.00 0.00 H new ATOM 0 HA VAL A 53 3.903 7.038 -7.770 1.00 0.00 H new ATOM 0 HB VAL A 53 6.005 9.076 -8.474 1.00 0.00 H new ATOM 0 HG11 VAL A 53 6.387 7.700 -10.488 1.00 0.00 H new ATOM 0 HG12 VAL A 53 6.801 6.825 -8.995 1.00 0.00 H new ATOM 0 HG13 VAL A 53 5.280 6.464 -9.846 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.617 9.425 -10.485 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.411 8.285 -9.842 1.00 0.00 H new ATOM 0 HG23 VAL A 53 3.734 9.814 -8.990 1.00 0.00 H new ATOM 796 N LYS A 54 6.354 7.604 -5.727 1.00 0.00 N ATOM 797 CA LYS A 54 7.356 6.968 -4.889 1.00 0.00 C ATOM 798 C LYS A 54 6.711 5.815 -4.117 1.00 0.00 C ATOM 799 O LYS A 54 7.299 4.741 -3.993 1.00 0.00 O ATOM 800 CB LYS A 54 8.040 8.002 -3.992 1.00 0.00 C ATOM 801 CG LYS A 54 9.069 8.815 -4.780 1.00 0.00 C ATOM 802 CD LYS A 54 10.468 8.656 -4.181 1.00 0.00 C ATOM 803 CE LYS A 54 11.454 9.634 -4.824 1.00 0.00 C ATOM 804 NZ LYS A 54 12.829 9.089 -4.778 1.00 0.00 N ATOM 0 H LYS A 54 6.195 8.591 -5.526 1.00 0.00 H new ATOM 0 HA LYS A 54 8.148 6.539 -5.502 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.292 8.671 -3.566 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.530 7.499 -3.158 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.076 8.489 -5.820 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.786 9.868 -4.777 1.00 0.00 H new ATOM 0 HD2 LYS A 54 10.429 8.828 -3.105 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.816 7.634 -4.328 1.00 0.00 H new ATOM 0 HE2 LYS A 54 11.166 9.823 -5.858 1.00 0.00 H new ATOM 0 HE3 LYS A 54 11.418 10.591 -4.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 13.485 9.765 -5.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 13.107 8.931 -3.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 12.862 8.187 -5.295 1.00 0.00 H new ATOM 818 N VAL A 55 5.512 6.076 -3.619 1.00 0.00 N ATOM 819 CA VAL A 55 4.781 5.073 -2.862 1.00 0.00 C ATOM 820 C VAL A 55 4.305 3.971 -3.811 1.00 0.00 C ATOM 821 O VAL A 55 4.204 2.810 -3.419 1.00 0.00 O ATOM 822 CB VAL A 55 3.637 5.732 -2.089 1.00 0.00 C ATOM 823 CG1 VAL A 55 2.756 6.567 -3.020 1.00 0.00 C ATOM 824 CG2 VAL A 55 2.808 4.686 -1.340 1.00 0.00 C ATOM 0 H VAL A 55 5.028 6.967 -3.725 1.00 0.00 H new ATOM 0 HA VAL A 55 5.429 4.606 -2.121 1.00 0.00 H new ATOM 0 HB VAL A 55 4.074 6.404 -1.351 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.951 7.024 -2.445 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.357 7.347 -3.487 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.332 5.925 -3.792 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.001 5.180 -0.799 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.386 3.978 -2.053 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.446 4.154 -0.634 1.00 0.00 H new ATOM 834 N SER A 56 4.026 4.375 -5.042 1.00 0.00 N ATOM 835 CA SER A 56 3.563 3.436 -6.050 1.00 0.00 C ATOM 836 C SER A 56 4.597 2.326 -6.247 1.00 0.00 C ATOM 837 O SER A 56 4.272 1.144 -6.147 1.00 0.00 O ATOM 838 CB SER A 56 3.286 4.145 -7.377 1.00 0.00 C ATOM 839 OG SER A 56 2.112 3.648 -8.014 1.00 0.00 O ATOM 0 H SER A 56 4.112 5.339 -5.364 1.00 0.00 H new ATOM 0 HA SER A 56 2.629 2.995 -5.702 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.177 5.215 -7.200 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.141 4.017 -8.041 1.00 0.00 H new ATOM 0 HG SER A 56 2.223 3.695 -8.987 1.00 0.00 H new ATOM 845 N LEU A 57 5.823 2.747 -6.523 1.00 0.00 N ATOM 846 CA LEU A 57 6.908 1.803 -6.734 1.00 0.00 C ATOM 847 C LEU A 57 7.222 1.090 -5.417 1.00 0.00 C ATOM 848 O LEU A 57 7.120 -0.132 -5.329 1.00 0.00 O ATOM 849 CB LEU A 57 8.116 2.506 -7.357 1.00 0.00 C ATOM 850 CG LEU A 57 8.972 1.659 -8.300 1.00 0.00 C ATOM 851 CD1 LEU A 57 9.800 2.545 -9.233 1.00 0.00 C ATOM 852 CD2 LEU A 57 9.846 0.678 -7.516 1.00 0.00 C ATOM 0 H LEU A 57 6.089 3.728 -6.605 1.00 0.00 H new ATOM 0 HA LEU A 57 6.612 1.035 -7.449 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.761 3.378 -7.906 1.00 0.00 H new ATOM 0 HB3 LEU A 57 8.752 2.873 -6.552 1.00 0.00 H new ATOM 0 HG LEU A 57 8.305 1.066 -8.926 1.00 0.00 H new ATOM 0 HD11 LEU A 57 10.400 1.918 -9.893 1.00 0.00 H new ATOM 0 HD12 LEU A 57 9.134 3.167 -9.830 1.00 0.00 H new ATOM 0 HD13 LEU A 57 10.458 3.182 -8.641 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.444 0.088 -8.211 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.506 1.232 -6.848 1.00 0.00 H new ATOM 0 HD23 LEU A 57 9.211 0.014 -6.930 1.00 0.00 H new ATOM 864 N PHE A 58 7.598 1.885 -4.426 1.00 0.00 N ATOM 865 CA PHE A 58 7.928 1.345 -3.118 1.00 0.00 C ATOM 866 C PHE A 58 6.899 0.301 -2.681 1.00 0.00 C ATOM 867 O PHE A 58 7.257 -0.722 -2.098 1.00 0.00 O ATOM 868 CB PHE A 58 7.901 2.515 -2.132 1.00 0.00 C ATOM 869 CG PHE A 58 9.242 3.239 -1.988 1.00 0.00 C ATOM 870 CD1 PHE A 58 9.803 3.851 -3.066 1.00 0.00 C ATOM 871 CD2 PHE A 58 9.872 3.270 -0.784 1.00 0.00 C ATOM 872 CE1 PHE A 58 11.047 4.522 -2.932 1.00 0.00 C ATOM 873 CE2 PHE A 58 11.116 3.941 -0.650 1.00 0.00 C ATOM 874 CZ PHE A 58 11.677 4.553 -1.727 1.00 0.00 C ATOM 0 H PHE A 58 7.681 2.899 -4.503 1.00 0.00 H new ATOM 0 HA PHE A 58 8.905 0.862 -3.150 1.00 0.00 H new ATOM 0 HB2 PHE A 58 7.146 3.232 -2.455 1.00 0.00 H new ATOM 0 HB3 PHE A 58 7.592 2.146 -1.154 1.00 0.00 H new ATOM 0 HD1 PHE A 58 9.302 3.826 -4.023 1.00 0.00 H new ATOM 0 HD2 PHE A 58 9.426 2.784 0.071 1.00 0.00 H new ATOM 0 HE1 PHE A 58 11.493 5.008 -3.787 1.00 0.00 H new ATOM 0 HE2 PHE A 58 11.616 3.965 0.307 1.00 0.00 H new ATOM 0 HZ PHE A 58 12.623 5.064 -1.625 1.00 0.00 H new ATOM 884 N THR A 59 5.642 0.595 -2.978 1.00 0.00 N ATOM 885 CA THR A 59 4.559 -0.306 -2.622 1.00 0.00 C ATOM 886 C THR A 59 4.628 -1.581 -3.464 1.00 0.00 C ATOM 887 O THR A 59 4.680 -2.685 -2.923 1.00 0.00 O ATOM 888 CB THR A 59 3.241 0.455 -2.779 1.00 0.00 C ATOM 889 OG1 THR A 59 3.261 1.407 -1.719 1.00 0.00 O ATOM 890 CG2 THR A 59 2.021 -0.417 -2.472 1.00 0.00 C ATOM 0 H THR A 59 5.349 1.444 -3.461 1.00 0.00 H new ATOM 0 HA THR A 59 4.641 -0.634 -1.586 1.00 0.00 H new ATOM 0 HB THR A 59 3.165 0.842 -3.795 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.736 2.213 -2.012 1.00 0.00 H new ATOM 0 HG21 THR A 59 1.112 0.171 -2.598 1.00 0.00 H new ATOM 0 HG22 THR A 59 2.001 -1.267 -3.154 1.00 0.00 H new ATOM 0 HG23 THR A 59 2.080 -0.777 -1.445 1.00 0.00 H new ATOM 898 N ALA A 60 4.627 -1.388 -4.775 1.00 0.00 N ATOM 899 CA ALA A 60 4.688 -2.509 -5.697 1.00 0.00 C ATOM 900 C ALA A 60 5.814 -3.453 -5.271 1.00 0.00 C ATOM 901 O ALA A 60 5.643 -4.671 -5.275 1.00 0.00 O ATOM 902 CB ALA A 60 4.874 -1.987 -7.124 1.00 0.00 C ATOM 0 H ALA A 60 4.585 -0.471 -5.221 1.00 0.00 H new ATOM 0 HA ALA A 60 3.757 -3.075 -5.675 1.00 0.00 H new ATOM 0 HB1 ALA A 60 4.920 -2.828 -7.816 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.034 -1.345 -7.389 1.00 0.00 H new ATOM 0 HB3 ALA A 60 5.801 -1.416 -7.185 1.00 0.00 H new ATOM 908 N PHE A 61 6.941 -2.855 -4.912 1.00 0.00 N ATOM 909 CA PHE A 61 8.095 -3.628 -4.484 1.00 0.00 C ATOM 910 C PHE A 61 7.832 -4.303 -3.136 1.00 0.00 C ATOM 911 O PHE A 61 8.259 -5.435 -2.912 1.00 0.00 O ATOM 912 CB PHE A 61 9.258 -2.646 -4.331 1.00 0.00 C ATOM 913 CG PHE A 61 10.559 -3.117 -4.984 1.00 0.00 C ATOM 914 CD1 PHE A 61 11.404 -3.938 -4.303 1.00 0.00 C ATOM 915 CD2 PHE A 61 10.872 -2.715 -6.245 1.00 0.00 C ATOM 916 CE1 PHE A 61 12.611 -4.375 -4.909 1.00 0.00 C ATOM 917 CE2 PHE A 61 12.079 -3.152 -6.851 1.00 0.00 C ATOM 918 CZ PHE A 61 12.924 -3.973 -6.170 1.00 0.00 C ATOM 0 H PHE A 61 7.079 -1.844 -4.909 1.00 0.00 H new ATOM 0 HA PHE A 61 8.314 -4.407 -5.214 1.00 0.00 H new ATOM 0 HB2 PHE A 61 8.971 -1.688 -4.765 1.00 0.00 H new ATOM 0 HB3 PHE A 61 9.438 -2.474 -3.270 1.00 0.00 H new ATOM 0 HD1 PHE A 61 11.156 -4.257 -3.301 1.00 0.00 H new ATOM 0 HD2 PHE A 61 10.202 -2.063 -6.786 1.00 0.00 H new ATOM 0 HE1 PHE A 61 13.281 -5.027 -4.368 1.00 0.00 H new ATOM 0 HE2 PHE A 61 12.327 -2.833 -7.853 1.00 0.00 H new ATOM 0 HZ PHE A 61 13.843 -4.305 -6.631 1.00 0.00 H new ATOM 928 N PHE A 62 7.131 -3.581 -2.275 1.00 0.00 N ATOM 929 CA PHE A 62 6.807 -4.096 -0.956 1.00 0.00 C ATOM 930 C PHE A 62 5.805 -5.249 -1.048 1.00 0.00 C ATOM 931 O PHE A 62 6.140 -6.393 -0.747 1.00 0.00 O ATOM 932 CB PHE A 62 6.172 -2.947 -0.170 1.00 0.00 C ATOM 933 CG PHE A 62 6.935 -2.566 1.101 1.00 0.00 C ATOM 934 CD1 PHE A 62 7.192 -3.508 2.047 1.00 0.00 C ATOM 935 CD2 PHE A 62 7.356 -1.286 1.283 1.00 0.00 C ATOM 936 CE1 PHE A 62 7.900 -3.154 3.226 1.00 0.00 C ATOM 937 CE2 PHE A 62 8.064 -0.932 2.462 1.00 0.00 C ATOM 938 CZ PHE A 62 8.321 -1.874 3.409 1.00 0.00 C ATOM 0 H PHE A 62 6.778 -2.643 -2.465 1.00 0.00 H new ATOM 0 HA PHE A 62 7.709 -4.471 -0.472 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.104 -2.072 -0.817 1.00 0.00 H new ATOM 0 HB3 PHE A 62 5.153 -3.224 0.100 1.00 0.00 H new ATOM 0 HD1 PHE A 62 6.858 -4.525 1.902 1.00 0.00 H new ATOM 0 HD2 PHE A 62 7.152 -0.538 0.531 1.00 0.00 H new ATOM 0 HE1 PHE A 62 8.104 -3.902 3.978 1.00 0.00 H new ATOM 0 HE2 PHE A 62 8.398 0.085 2.607 1.00 0.00 H new ATOM 0 HZ PHE A 62 8.859 -1.605 4.306 1.00 0.00 H new ATOM 948 N LEU A 63 4.595 -4.907 -1.467 1.00 0.00 N ATOM 949 CA LEU A 63 3.543 -5.899 -1.604 1.00 0.00 C ATOM 950 C LEU A 63 4.076 -7.098 -2.391 1.00 0.00 C ATOM 951 O LEU A 63 3.779 -8.245 -2.060 1.00 0.00 O ATOM 952 CB LEU A 63 2.290 -5.270 -2.215 1.00 0.00 C ATOM 953 CG LEU A 63 1.037 -5.279 -1.336 1.00 0.00 C ATOM 954 CD1 LEU A 63 1.108 -4.183 -0.271 1.00 0.00 C ATOM 955 CD2 LEU A 63 -0.230 -5.171 -2.186 1.00 0.00 C ATOM 0 H LEU A 63 4.320 -3.957 -1.716 1.00 0.00 H new ATOM 0 HA LEU A 63 3.240 -6.270 -0.625 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.518 -4.237 -2.478 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.062 -5.792 -3.144 1.00 0.00 H new ATOM 0 HG LEU A 63 0.993 -6.234 -0.813 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.206 -4.211 0.340 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.980 -4.347 0.362 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.188 -3.210 -0.755 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.106 -5.180 -1.537 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.209 -4.241 -2.754 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.280 -6.015 -2.874 1.00 0.00 H new ATOM 967 N ALA A 64 4.855 -6.791 -3.418 1.00 0.00 N ATOM 968 CA ALA A 64 5.432 -7.829 -4.255 1.00 0.00 C ATOM 969 C ALA A 64 6.276 -8.766 -3.389 1.00 0.00 C ATOM 970 O ALA A 64 6.098 -9.983 -3.430 1.00 0.00 O ATOM 971 CB ALA A 64 6.246 -7.184 -5.380 1.00 0.00 C ATOM 0 H ALA A 64 5.100 -5.839 -3.689 1.00 0.00 H new ATOM 0 HA ALA A 64 4.648 -8.427 -4.720 1.00 0.00 H new ATOM 0 HB1 ALA A 64 6.679 -7.962 -6.008 1.00 0.00 H new ATOM 0 HB2 ALA A 64 5.595 -6.551 -5.983 1.00 0.00 H new ATOM 0 HB3 ALA A 64 7.044 -6.579 -4.951 1.00 0.00 H new ATOM 977 N THR A 65 7.176 -8.165 -2.625 1.00 0.00 N ATOM 978 CA THR A 65 8.047 -8.930 -1.751 1.00 0.00 C ATOM 979 C THR A 65 7.220 -9.773 -0.778 1.00 0.00 C ATOM 980 O THR A 65 7.410 -10.985 -0.685 1.00 0.00 O ATOM 981 CB THR A 65 8.995 -7.952 -1.053 1.00 0.00 C ATOM 982 OG1 THR A 65 9.968 -7.643 -2.046 1.00 0.00 O ATOM 983 CG2 THR A 65 9.802 -8.616 0.065 1.00 0.00 C ATOM 0 H THR A 65 7.321 -7.156 -2.594 1.00 0.00 H new ATOM 0 HA THR A 65 8.649 -9.641 -2.317 1.00 0.00 H new ATOM 0 HB THR A 65 8.421 -7.121 -0.643 1.00 0.00 H new ATOM 0 HG1 THR A 65 9.669 -6.869 -2.568 1.00 0.00 H new ATOM 0 HG21 THR A 65 10.458 -7.879 0.527 1.00 0.00 H new ATOM 0 HG22 THR A 65 9.121 -9.017 0.816 1.00 0.00 H new ATOM 0 HG23 THR A 65 10.402 -9.426 -0.351 1.00 0.00 H new ATOM 991 N ILE A 66 6.319 -9.099 -0.079 1.00 0.00 N ATOM 992 CA ILE A 66 5.462 -9.770 0.883 1.00 0.00 C ATOM 993 C ILE A 66 4.794 -10.972 0.212 1.00 0.00 C ATOM 994 O ILE A 66 5.017 -12.114 0.611 1.00 0.00 O ATOM 995 CB ILE A 66 4.472 -8.781 1.501 1.00 0.00 C ATOM 996 CG1 ILE A 66 5.203 -7.692 2.288 1.00 0.00 C ATOM 997 CG2 ILE A 66 3.433 -9.508 2.357 1.00 0.00 C ATOM 998 CD1 ILE A 66 4.330 -6.446 2.442 1.00 0.00 C ATOM 0 H ILE A 66 6.164 -8.094 -0.160 1.00 0.00 H new ATOM 0 HA ILE A 66 6.051 -10.155 1.715 1.00 0.00 H new ATOM 0 HB ILE A 66 3.934 -8.287 0.692 1.00 0.00 H new ATOM 0 HG12 ILE A 66 5.477 -8.072 3.272 1.00 0.00 H new ATOM 0 HG13 ILE A 66 6.130 -7.430 1.778 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.741 -8.782 2.785 1.00 0.00 H new ATOM 0 HG22 ILE A 66 2.880 -10.214 1.737 1.00 0.00 H new ATOM 0 HG23 ILE A 66 3.936 -10.047 3.160 1.00 0.00 H new ATOM 0 HD11 ILE A 66 4.874 -5.688 3.005 1.00 0.00 H new ATOM 0 HD12 ILE A 66 4.078 -6.054 1.457 1.00 0.00 H new ATOM 0 HD13 ILE A 66 3.415 -6.706 2.974 1.00 0.00 H new ATOM 1010 N MET A 67 3.987 -10.673 -0.796 1.00 0.00 N ATOM 1011 CA MET A 67 3.284 -11.715 -1.526 1.00 0.00 C ATOM 1012 C MET A 67 4.196 -12.916 -1.780 1.00 0.00 C ATOM 1013 O MET A 67 3.918 -14.021 -1.316 1.00 0.00 O ATOM 1014 CB MET A 67 2.790 -11.157 -2.862 1.00 0.00 C ATOM 1015 CG MET A 67 1.301 -10.811 -2.794 1.00 0.00 C ATOM 1016 SD MET A 67 1.066 -9.304 -1.865 1.00 0.00 S ATOM 1017 CE MET A 67 0.392 -9.974 -0.354 1.00 0.00 C ATOM 0 H MET A 67 3.804 -9.725 -1.124 1.00 0.00 H new ATOM 0 HA MET A 67 2.437 -12.046 -0.925 1.00 0.00 H new ATOM 0 HB2 MET A 67 3.362 -10.267 -3.122 1.00 0.00 H new ATOM 0 HB3 MET A 67 2.961 -11.889 -3.652 1.00 0.00 H new ATOM 0 HG2 MET A 67 0.900 -10.694 -3.801 1.00 0.00 H new ATOM 0 HG3 MET A 67 0.751 -11.627 -2.325 1.00 0.00 H new ATOM 0 HE1 MET A 67 -0.010 -9.165 0.255 1.00 0.00 H new ATOM 0 HE2 MET A 67 -0.404 -10.679 -0.592 1.00 0.00 H new ATOM 0 HE3 MET A 67 1.178 -10.488 0.199 1.00 0.00 H new ATOM 1027 N GLY A 68 5.267 -12.661 -2.517 1.00 0.00 N ATOM 1028 CA GLY A 68 6.222 -13.708 -2.839 1.00 0.00 C ATOM 1029 C GLY A 68 5.506 -14.990 -3.267 1.00 0.00 C ATOM 1030 O GLY A 68 6.028 -16.088 -3.084 1.00 0.00 O ATOM 0 H GLY A 68 5.495 -11.744 -2.901 1.00 0.00 H new ATOM 0 HA2 GLY A 68 6.881 -13.371 -3.639 1.00 0.00 H new ATOM 0 HA3 GLY A 68 6.851 -13.911 -1.972 1.00 0.00 H new ATOM 1245 N ALA A 80 0.749 -8.962 -11.107 1.00 0.00 N ATOM 1246 CA ALA A 80 0.090 -8.420 -12.283 1.00 0.00 C ATOM 1247 C ALA A 80 -0.601 -7.105 -11.915 1.00 0.00 C ATOM 1248 O ALA A 80 -0.371 -6.080 -12.554 1.00 0.00 O ATOM 1249 CB ALA A 80 -0.888 -9.455 -12.843 1.00 0.00 C ATOM 0 HA ALA A 80 0.818 -8.203 -13.065 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -1.382 -9.048 -13.725 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -0.344 -10.359 -13.116 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -1.635 -9.696 -12.087 1.00 0.00 H new ATOM 1255 N GLY A 81 -1.432 -7.178 -10.886 1.00 0.00 N ATOM 1256 CA GLY A 81 -2.158 -6.006 -10.426 1.00 0.00 C ATOM 1257 C GLY A 81 -1.251 -5.089 -9.603 1.00 0.00 C ATOM 1258 O GLY A 81 -1.420 -3.870 -9.615 1.00 0.00 O ATOM 0 H GLY A 81 -1.619 -8.030 -10.358 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -2.554 -5.459 -11.282 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -3.012 -6.316 -9.823 1.00 0.00 H new ATOM 1262 N LEU A 82 -0.309 -5.709 -8.908 1.00 0.00 N ATOM 1263 CA LEU A 82 0.624 -4.963 -8.081 1.00 0.00 C ATOM 1264 C LEU A 82 1.388 -3.966 -8.955 1.00 0.00 C ATOM 1265 O LEU A 82 1.297 -2.757 -8.747 1.00 0.00 O ATOM 1266 CB LEU A 82 1.531 -5.918 -7.302 1.00 0.00 C ATOM 1267 CG LEU A 82 1.377 -5.895 -5.780 1.00 0.00 C ATOM 1268 CD1 LEU A 82 2.066 -7.103 -5.141 1.00 0.00 C ATOM 1269 CD2 LEU A 82 1.882 -4.574 -5.197 1.00 0.00 C ATOM 0 H LEU A 82 -0.172 -6.720 -8.901 1.00 0.00 H new ATOM 0 HA LEU A 82 0.088 -4.384 -7.329 1.00 0.00 H new ATOM 0 HB2 LEU A 82 1.342 -6.933 -7.651 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.567 -5.684 -7.546 1.00 0.00 H new ATOM 0 HG LEU A 82 0.315 -5.966 -5.544 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.942 -7.063 -4.059 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.620 -8.021 -5.523 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.128 -7.087 -5.385 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.761 -4.584 -4.114 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.936 -4.447 -5.443 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.309 -3.748 -5.618 1.00 0.00 H new ATOM 1281 N VAL A 83 2.124 -4.509 -9.913 1.00 0.00 N ATOM 1282 CA VAL A 83 2.903 -3.682 -10.819 1.00 0.00 C ATOM 1283 C VAL A 83 1.956 -2.824 -11.661 1.00 0.00 C ATOM 1284 O VAL A 83 2.131 -1.610 -11.756 1.00 0.00 O ATOM 1285 CB VAL A 83 3.827 -4.560 -11.666 1.00 0.00 C ATOM 1286 CG1 VAL A 83 4.445 -3.758 -12.812 1.00 0.00 C ATOM 1287 CG2 VAL A 83 4.911 -5.207 -10.802 1.00 0.00 C ATOM 0 H VAL A 83 2.198 -5.512 -10.082 1.00 0.00 H new ATOM 0 HA VAL A 83 3.546 -3.003 -10.259 1.00 0.00 H new ATOM 0 HB VAL A 83 3.226 -5.358 -12.102 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.097 -4.405 -13.399 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.653 -3.366 -13.450 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.026 -2.930 -12.405 1.00 0.00 H new ATOM 0 HG21 VAL A 83 5.554 -5.826 -11.428 1.00 0.00 H new ATOM 0 HG22 VAL A 83 5.508 -4.430 -10.325 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.444 -5.827 -10.037 1.00 0.00 H new ATOM 1297 N ALA A 84 0.974 -3.489 -12.251 1.00 0.00 N ATOM 1298 CA ALA A 84 -0.001 -2.803 -13.082 1.00 0.00 C ATOM 1299 C ALA A 84 -0.543 -1.588 -12.327 1.00 0.00 C ATOM 1300 O ALA A 84 -0.882 -0.574 -12.936 1.00 0.00 O ATOM 1301 CB ALA A 84 -1.107 -3.780 -13.486 1.00 0.00 C ATOM 0 H ALA A 84 0.832 -4.496 -12.170 1.00 0.00 H new ATOM 0 HA ALA A 84 0.464 -2.441 -13.999 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -1.838 -3.265 -14.109 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -0.674 -4.609 -14.045 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -1.599 -4.163 -12.592 1.00 0.00 H new ATOM 1307 N GLY A 85 -0.609 -1.730 -11.012 1.00 0.00 N ATOM 1308 CA GLY A 85 -1.105 -0.656 -10.167 1.00 0.00 C ATOM 1309 C GLY A 85 -0.061 0.453 -10.021 1.00 0.00 C ATOM 1310 O GLY A 85 -0.379 1.632 -10.161 1.00 0.00 O ATOM 0 H GLY A 85 -0.327 -2.572 -10.510 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -2.020 -0.245 -10.594 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -1.361 -1.051 -9.184 1.00 0.00 H new ATOM 1314 N LEU A 86 1.165 0.035 -9.740 1.00 0.00 N ATOM 1315 CA LEU A 86 2.257 0.978 -9.574 1.00 0.00 C ATOM 1316 C LEU A 86 2.285 1.935 -10.767 1.00 0.00 C ATOM 1317 O LEU A 86 2.431 3.144 -10.593 1.00 0.00 O ATOM 1318 CB LEU A 86 3.576 0.236 -9.349 1.00 0.00 C ATOM 1319 CG LEU A 86 4.625 0.384 -10.453 1.00 0.00 C ATOM 1320 CD1 LEU A 86 5.267 1.773 -10.417 1.00 0.00 C ATOM 1321 CD2 LEU A 86 5.669 -0.732 -10.372 1.00 0.00 C ATOM 0 H LEU A 86 1.426 -0.944 -9.623 1.00 0.00 H new ATOM 0 HA LEU A 86 2.104 1.585 -8.682 1.00 0.00 H new ATOM 0 HB2 LEU A 86 4.011 0.585 -8.412 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.357 -0.824 -9.223 1.00 0.00 H new ATOM 0 HG LEU A 86 4.123 0.286 -11.416 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.009 1.852 -11.212 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.499 2.533 -10.561 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.751 1.925 -9.452 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.402 -0.603 -11.168 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.171 -0.691 -9.406 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.178 -1.699 -10.485 1.00 0.00 H new ATOM 1333 N SER A 87 2.143 1.359 -11.951 1.00 0.00 N ATOM 1334 CA SER A 87 2.150 2.146 -13.172 1.00 0.00 C ATOM 1335 C SER A 87 0.889 3.008 -13.246 1.00 0.00 C ATOM 1336 O SER A 87 0.971 4.218 -13.453 1.00 0.00 O ATOM 1337 CB SER A 87 2.252 1.247 -14.406 1.00 0.00 C ATOM 1338 OG SER A 87 3.606 1.006 -14.781 1.00 0.00 O ATOM 0 H SER A 87 2.022 0.356 -12.091 1.00 0.00 H new ATOM 0 HA SER A 87 3.025 2.795 -13.156 1.00 0.00 H new ATOM 0 HB2 SER A 87 1.757 0.297 -14.204 1.00 0.00 H new ATOM 0 HB3 SER A 87 1.723 1.712 -15.238 1.00 0.00 H new ATOM 0 HG SER A 87 3.628 0.427 -15.571 1.00 0.00 H new ATOM 1344 N LEU A 88 -0.249 2.352 -13.074 1.00 0.00 N ATOM 1345 CA LEU A 88 -1.526 3.043 -13.119 1.00 0.00 C ATOM 1346 C LEU A 88 -1.423 4.348 -12.326 1.00 0.00 C ATOM 1347 O LEU A 88 -1.961 5.374 -12.739 1.00 0.00 O ATOM 1348 CB LEU A 88 -2.651 2.122 -12.644 1.00 0.00 C ATOM 1349 CG LEU A 88 -3.937 2.151 -13.473 1.00 0.00 C ATOM 1350 CD1 LEU A 88 -3.818 1.246 -14.701 1.00 0.00 C ATOM 1351 CD2 LEU A 88 -5.152 1.795 -12.614 1.00 0.00 C ATOM 0 H LEU A 88 -0.313 1.348 -12.903 1.00 0.00 H new ATOM 0 HA LEU A 88 -1.778 3.312 -14.145 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -2.275 1.099 -12.630 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.899 2.385 -11.616 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.087 3.168 -13.836 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -4.745 1.285 -15.273 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.992 1.587 -15.325 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.632 0.221 -14.381 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.052 1.823 -13.228 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.025 0.794 -12.201 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.245 2.514 -11.800 1.00 0.00 H new ATOM 1363 N MET A 89 -0.728 4.265 -11.201 1.00 0.00 N ATOM 1364 CA MET A 89 -0.547 5.427 -10.346 1.00 0.00 C ATOM 1365 C MET A 89 0.416 6.431 -10.982 1.00 0.00 C ATOM 1366 O MET A 89 0.037 7.567 -11.264 1.00 0.00 O ATOM 1367 CB MET A 89 0.002 4.981 -8.989 1.00 0.00 C ATOM 1368 CG MET A 89 -0.891 5.474 -7.848 1.00 0.00 C ATOM 1369 SD MET A 89 -1.171 7.230 -8.007 1.00 0.00 S ATOM 1370 CE MET A 89 0.516 7.810 -8.059 1.00 0.00 C ATOM 0 H MET A 89 -0.284 3.412 -10.862 1.00 0.00 H new ATOM 0 HA MET A 89 -1.514 5.913 -10.215 1.00 0.00 H new ATOM 0 HB2 MET A 89 0.069 3.893 -8.959 1.00 0.00 H new ATOM 0 HB3 MET A 89 1.013 5.366 -8.857 1.00 0.00 H new ATOM 0 HG2 MET A 89 -1.843 4.943 -7.864 1.00 0.00 H new ATOM 0 HG3 MET A 89 -0.422 5.258 -6.888 1.00 0.00 H new ATOM 0 HE1 MET A 89 0.644 8.621 -7.342 1.00 0.00 H new ATOM 0 HE2 MET A 89 1.190 6.992 -7.806 1.00 0.00 H new ATOM 0 HE3 MET A 89 0.746 8.172 -9.061 1.00 0.00 H new ATOM 1380 N MET A 90 1.643 5.976 -11.189 1.00 0.00 N ATOM 1381 CA MET A 90 2.663 6.821 -11.786 1.00 0.00 C ATOM 1382 C MET A 90 2.125 7.537 -13.027 1.00 0.00 C ATOM 1383 O MET A 90 2.614 8.605 -13.392 1.00 0.00 O ATOM 1384 CB MET A 90 3.871 5.966 -12.174 1.00 0.00 C ATOM 1385 CG MET A 90 4.989 6.830 -12.760 1.00 0.00 C ATOM 1386 SD MET A 90 5.573 6.119 -14.290 1.00 0.00 S ATOM 1387 CE MET A 90 6.890 5.087 -13.669 1.00 0.00 C ATOM 0 H MET A 90 1.954 5.033 -10.954 1.00 0.00 H new ATOM 0 HA MET A 90 2.958 7.573 -11.055 1.00 0.00 H new ATOM 0 HB2 MET A 90 4.240 5.433 -11.298 1.00 0.00 H new ATOM 0 HB3 MET A 90 3.569 5.213 -12.902 1.00 0.00 H new ATOM 0 HG2 MET A 90 4.624 7.842 -12.936 1.00 0.00 H new ATOM 0 HG3 MET A 90 5.811 6.907 -12.048 1.00 0.00 H new ATOM 0 HE1 MET A 90 7.366 4.566 -14.499 1.00 0.00 H new ATOM 0 HE2 MET A 90 7.628 5.706 -13.158 1.00 0.00 H new ATOM 0 HE3 MET A 90 6.482 4.358 -12.969 1.00 0.00 H new ATOM 1397 N ILE A 91 1.126 6.920 -13.640 1.00 0.00 N ATOM 1398 CA ILE A 91 0.516 7.485 -14.832 1.00 0.00 C ATOM 1399 C ILE A 91 -0.593 8.456 -14.420 1.00 0.00 C ATOM 1400 O ILE A 91 -0.675 9.567 -14.942 1.00 0.00 O ATOM 1401 CB ILE A 91 0.042 6.373 -15.770 1.00 0.00 C ATOM 1402 CG1 ILE A 91 1.231 5.659 -16.416 1.00 0.00 C ATOM 1403 CG2 ILE A 91 -0.937 6.916 -16.813 1.00 0.00 C ATOM 1404 CD1 ILE A 91 0.893 4.197 -16.719 1.00 0.00 C ATOM 0 H ILE A 91 0.723 6.034 -13.334 1.00 0.00 H new ATOM 0 HA ILE A 91 1.249 8.058 -15.400 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.496 5.632 -15.179 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.510 6.170 -17.337 1.00 0.00 H new ATOM 0 HG13 ILE A 91 2.094 5.707 -15.751 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.258 6.105 -17.467 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -1.805 7.342 -16.310 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.446 7.688 -17.406 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.755 3.712 -17.178 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.638 3.683 -15.792 1.00 0.00 H new ATOM 0 HD13 ILE A 91 0.045 4.154 -17.403 1.00 0.00 H new ATOM 1416 N LEU A 92 -1.418 8.002 -13.489 1.00 0.00 N ATOM 1417 CA LEU A 92 -2.519 8.816 -13.002 1.00 0.00 C ATOM 1418 C LEU A 92 -1.982 10.179 -12.560 1.00 0.00 C ATOM 1419 O LEU A 92 -2.703 11.175 -12.594 1.00 0.00 O ATOM 1420 CB LEU A 92 -3.290 8.076 -11.908 1.00 0.00 C ATOM 1421 CG LEU A 92 -4.012 8.954 -10.884 1.00 0.00 C ATOM 1422 CD1 LEU A 92 -5.304 8.290 -10.406 1.00 0.00 C ATOM 1423 CD2 LEU A 92 -3.086 9.311 -9.719 1.00 0.00 C ATOM 0 H LEU A 92 -1.346 7.080 -13.058 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.239 8.999 -13.799 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -4.026 7.428 -12.385 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -2.594 7.429 -11.375 1.00 0.00 H new ATOM 0 HG LEU A 92 -4.292 9.888 -11.372 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -5.797 8.935 -9.679 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -5.966 8.129 -11.256 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -5.070 7.332 -9.941 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -3.623 9.936 -9.005 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -2.755 8.398 -9.225 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.220 9.854 -10.096 1.00 0.00 H new ATOM 1435 N ARG A 93 -0.720 10.180 -12.157 1.00 0.00 N ATOM 1436 CA ARG A 93 -0.078 11.404 -11.709 1.00 0.00 C ATOM 1437 C ARG A 93 0.663 12.070 -12.871 1.00 0.00 C ATOM 1438 O ARG A 93 0.523 13.272 -13.093 1.00 0.00 O ATOM 1439 CB ARG A 93 0.911 11.125 -10.576 1.00 0.00 C ATOM 1440 CG ARG A 93 0.394 11.680 -9.247 1.00 0.00 C ATOM 1441 CD ARG A 93 1.023 13.040 -8.939 1.00 0.00 C ATOM 1442 NE ARG A 93 2.438 12.865 -8.542 1.00 0.00 N ATOM 1443 CZ ARG A 93 3.162 13.798 -7.909 1.00 0.00 C ATOM 1444 NH1 ARG A 93 2.609 14.978 -7.598 1.00 0.00 N ATOM 1445 NH2 ARG A 93 4.439 13.551 -7.587 1.00 0.00 N ATOM 0 H ARG A 93 -0.125 9.352 -12.131 1.00 0.00 H new ATOM 0 HA ARG A 93 -0.857 12.071 -11.339 1.00 0.00 H new ATOM 0 HB2 ARG A 93 1.074 10.051 -10.487 1.00 0.00 H new ATOM 0 HB3 ARG A 93 1.875 11.575 -10.811 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -0.691 11.778 -9.287 1.00 0.00 H new ATOM 0 HG3 ARG A 93 0.621 10.980 -8.443 1.00 0.00 H new ATOM 0 HD2 ARG A 93 0.960 13.686 -9.815 1.00 0.00 H new ATOM 0 HD3 ARG A 93 0.470 13.533 -8.139 1.00 0.00 H new ATOM 0 HE ARG A 93 2.891 11.978 -8.764 1.00 0.00 H new ATOM 0 HH11 ARG A 93 1.637 15.166 -7.843 1.00 0.00 H new ATOM 0 HH12 ARG A 93 3.160 15.688 -7.116 1.00 0.00 H new ATOM 0 HH21 ARG A 93 4.860 12.653 -7.824 1.00 0.00 H new ATOM 0 HH22 ARG A 93 4.990 14.261 -7.105 1.00 0.00 H new ATOM 1459 N LEU A 94 1.435 11.261 -13.581 1.00 0.00 N ATOM 1460 CA LEU A 94 2.198 11.757 -14.713 1.00 0.00 C ATOM 1461 C LEU A 94 1.238 12.336 -15.755 1.00 0.00 C ATOM 1462 O LEU A 94 1.656 13.069 -16.650 1.00 0.00 O ATOM 1463 CB LEU A 94 3.114 10.662 -15.263 1.00 0.00 C ATOM 1464 CG LEU A 94 3.845 10.990 -16.566 1.00 0.00 C ATOM 1465 CD1 LEU A 94 5.230 10.340 -16.597 1.00 0.00 C ATOM 1466 CD2 LEU A 94 3.001 10.600 -17.782 1.00 0.00 C ATOM 0 H LEU A 94 1.548 10.265 -13.394 1.00 0.00 H new ATOM 0 HA LEU A 94 2.858 12.567 -14.402 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.858 10.423 -14.503 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.518 9.763 -15.420 1.00 0.00 H new ATOM 0 HG LEU A 94 3.995 12.069 -16.611 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.728 10.589 -17.534 1.00 0.00 H new ATOM 0 HD12 LEU A 94 5.824 10.709 -15.761 1.00 0.00 H new ATOM 0 HD13 LEU A 94 5.126 9.258 -16.518 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.544 10.844 -18.695 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.798 9.529 -17.756 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.059 11.149 -17.762 1.00 0.00 H new ATOM 1478 N VAL A 95 -0.031 11.985 -15.603 1.00 0.00 N ATOM 1479 CA VAL A 95 -1.053 12.461 -16.519 1.00 0.00 C ATOM 1480 C VAL A 95 -1.255 13.964 -16.316 1.00 0.00 C ATOM 1481 O VAL A 95 -1.344 14.719 -17.283 1.00 0.00 O ATOM 1482 CB VAL A 95 -2.340 11.655 -16.332 1.00 0.00 C ATOM 1483 CG1 VAL A 95 -3.559 12.451 -16.803 1.00 0.00 C ATOM 1484 CG2 VAL A 95 -2.252 10.308 -17.053 1.00 0.00 C ATOM 0 H VAL A 95 -0.374 11.377 -14.859 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.738 12.312 -17.552 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.461 11.458 -15.267 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -4.460 11.855 -16.659 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.637 13.372 -16.226 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.449 12.693 -17.860 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -3.179 9.755 -16.904 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.096 10.475 -18.119 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.418 9.733 -16.650 1.00 0.00 H new ATOM 1494 N LEU A 96 -1.321 14.354 -15.051 1.00 0.00 N ATOM 1495 CA LEU A 96 -1.510 15.753 -14.708 1.00 0.00 C ATOM 1496 C LEU A 96 -0.145 16.414 -14.507 1.00 0.00 C ATOM 1497 O LEU A 96 -0.033 17.411 -13.796 1.00 0.00 O ATOM 1498 CB LEU A 96 -2.442 15.888 -13.502 1.00 0.00 C ATOM 1499 CG LEU A 96 -1.998 15.166 -12.228 1.00 0.00 C ATOM 1500 CD1 LEU A 96 -1.735 16.162 -11.097 1.00 0.00 C ATOM 1501 CD2 LEU A 96 -3.013 14.094 -11.824 1.00 0.00 C ATOM 0 H LEU A 96 -1.247 13.725 -14.251 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.003 16.281 -15.524 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.558 16.948 -13.274 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -3.426 15.513 -13.784 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.056 14.657 -12.434 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -1.421 15.623 -10.203 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.949 16.855 -11.398 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.647 16.719 -10.883 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -2.674 13.596 -10.916 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -3.981 14.560 -11.642 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -3.107 13.362 -12.626 1.00 0.00 H new