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 88:sc= 0.98 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 -149:sc= 0.211 USER MOD Single : A 59 THR OG1 : rot 87:sc= 0.985 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl 149:sc= -0.125 (180deg=-0.668) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl -112:sc= -2.41 (180deg=-7.63!) USER MOD Single : A 90 MET CE :methyl 167:sc= 0 (180deg=-0.172) USER MOD ----------------------------------------------------------------- ATOM 102 N TYR A 8 -20.306 13.558 9.515 1.00 0.00 N ATOM 103 CA TYR A 8 -20.719 12.396 10.282 1.00 0.00 C ATOM 104 C TYR A 8 -21.548 11.438 9.424 1.00 0.00 C ATOM 105 O TYR A 8 -21.206 10.264 9.292 1.00 0.00 O ATOM 106 CB TYR A 8 -21.594 12.930 11.418 1.00 0.00 C ATOM 107 CG TYR A 8 -21.707 11.983 12.615 1.00 0.00 C ATOM 108 CD1 TYR A 8 -20.609 11.753 13.418 1.00 0.00 C ATOM 109 CD2 TYR A 8 -22.907 11.360 12.891 1.00 0.00 C ATOM 110 CE1 TYR A 8 -20.715 10.862 14.544 1.00 0.00 C ATOM 111 CE2 TYR A 8 -23.013 10.469 14.017 1.00 0.00 C ATOM 112 CZ TYR A 8 -21.912 10.264 14.788 1.00 0.00 C ATOM 113 OH TYR A 8 -22.012 9.422 15.852 1.00 0.00 O ATOM 0 HA TYR A 8 -19.850 11.848 10.645 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -21.188 13.883 11.759 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -22.593 13.130 11.030 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -19.670 12.241 13.202 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -23.766 11.541 12.262 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -19.863 10.673 15.181 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -23.946 9.975 14.244 1.00 0.00 H new ATOM 0 HH TYR A 8 -22.925 9.069 15.905 1.00 0.00 H new ATOM 123 N ALA A 9 -22.620 11.975 8.862 1.00 0.00 N ATOM 124 CA ALA A 9 -23.500 11.183 8.019 1.00 0.00 C ATOM 125 C ALA A 9 -22.766 10.812 6.729 1.00 0.00 C ATOM 126 O ALA A 9 -23.124 9.841 6.064 1.00 0.00 O ATOM 127 CB ALA A 9 -24.790 11.962 7.753 1.00 0.00 C ATOM 0 H ALA A 9 -22.900 12.949 8.974 1.00 0.00 H new ATOM 0 HA ALA A 9 -23.777 10.255 8.519 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -25.450 11.368 7.121 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -25.288 12.175 8.699 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -24.552 12.899 7.250 1.00 0.00 H new ATOM 133 N ALA A 10 -21.752 11.605 6.414 1.00 0.00 N ATOM 134 CA ALA A 10 -20.964 11.372 5.216 1.00 0.00 C ATOM 135 C ALA A 10 -20.216 10.045 5.353 1.00 0.00 C ATOM 136 O ALA A 10 -20.445 9.116 4.579 1.00 0.00 O ATOM 137 CB ALA A 10 -20.020 12.554 4.988 1.00 0.00 C ATOM 0 H ALA A 10 -21.458 12.410 6.968 1.00 0.00 H new ATOM 0 HA ALA A 10 -21.609 11.297 4.341 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -19.429 12.379 4.089 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -20.603 13.467 4.867 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -19.355 12.659 5.845 1.00 0.00 H new ATOM 143 N LEU A 11 -19.336 9.998 6.342 1.00 0.00 N ATOM 144 CA LEU A 11 -18.552 8.800 6.590 1.00 0.00 C ATOM 145 C LEU A 11 -19.494 7.627 6.866 1.00 0.00 C ATOM 146 O LEU A 11 -19.275 6.521 6.376 1.00 0.00 O ATOM 147 CB LEU A 11 -17.534 9.047 7.706 1.00 0.00 C ATOM 148 CG LEU A 11 -18.092 9.067 9.130 1.00 0.00 C ATOM 149 CD1 LEU A 11 -18.254 7.647 9.675 1.00 0.00 C ATOM 150 CD2 LEU A 11 -17.229 9.937 10.045 1.00 0.00 C ATOM 0 H LEU A 11 -19.148 10.770 6.981 1.00 0.00 H new ATOM 0 HA LEU A 11 -17.967 8.539 5.708 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -16.767 8.275 7.648 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -17.041 10.001 7.517 1.00 0.00 H new ATOM 0 HG LEU A 11 -19.085 9.516 9.102 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -18.652 7.690 10.689 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -18.941 7.089 9.038 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -17.285 7.149 9.687 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -17.648 9.934 11.051 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -16.214 9.540 10.073 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -17.209 10.958 9.664 1.00 0.00 H new ATOM 162 N VAL A 12 -20.524 7.909 7.651 1.00 0.00 N ATOM 163 CA VAL A 12 -21.501 6.891 7.998 1.00 0.00 C ATOM 164 C VAL A 12 -22.056 6.265 6.717 1.00 0.00 C ATOM 165 O VAL A 12 -22.086 5.042 6.583 1.00 0.00 O ATOM 166 CB VAL A 12 -22.590 7.493 8.889 1.00 0.00 C ATOM 167 CG1 VAL A 12 -23.861 6.643 8.851 1.00 0.00 C ATOM 168 CG2 VAL A 12 -22.089 7.667 10.325 1.00 0.00 C ATOM 0 H VAL A 12 -20.703 8.828 8.056 1.00 0.00 H new ATOM 0 HA VAL A 12 -21.033 6.093 8.574 1.00 0.00 H new ATOM 0 HB VAL A 12 -22.836 8.480 8.498 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -24.619 7.093 9.492 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -24.235 6.593 7.828 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -23.637 5.637 9.205 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -22.882 8.096 10.937 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -21.802 6.697 10.730 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -21.225 8.332 10.331 1.00 0.00 H new ATOM 178 N THR A 13 -22.480 7.130 5.809 1.00 0.00 N ATOM 179 CA THR A 13 -23.032 6.677 4.543 1.00 0.00 C ATOM 180 C THR A 13 -21.978 5.905 3.748 1.00 0.00 C ATOM 181 O THR A 13 -22.304 4.954 3.039 1.00 0.00 O ATOM 182 CB THR A 13 -23.579 7.899 3.801 1.00 0.00 C ATOM 183 OG1 THR A 13 -24.741 8.263 4.541 1.00 0.00 O ATOM 184 CG2 THR A 13 -24.116 7.548 2.413 1.00 0.00 C ATOM 0 H THR A 13 -22.453 8.143 5.924 1.00 0.00 H new ATOM 0 HA THR A 13 -23.854 5.978 4.697 1.00 0.00 H new ATOM 0 HB THR A 13 -22.793 8.649 3.707 1.00 0.00 H new ATOM 0 HG1 THR A 13 -24.491 8.879 5.261 1.00 0.00 H new ATOM 0 HG21 THR A 13 -24.492 8.450 1.930 1.00 0.00 H new ATOM 0 HG22 THR A 13 -23.315 7.120 1.810 1.00 0.00 H new ATOM 0 HG23 THR A 13 -24.925 6.823 2.508 1.00 0.00 H new ATOM 192 N PHE A 14 -20.736 6.342 3.893 1.00 0.00 N ATOM 193 CA PHE A 14 -19.632 5.703 3.197 1.00 0.00 C ATOM 194 C PHE A 14 -19.440 4.263 3.678 1.00 0.00 C ATOM 195 O PHE A 14 -19.382 3.338 2.870 1.00 0.00 O ATOM 196 CB PHE A 14 -18.372 6.509 3.521 1.00 0.00 C ATOM 197 CG PHE A 14 -17.284 6.421 2.449 1.00 0.00 C ATOM 198 CD1 PHE A 14 -16.754 5.214 2.116 1.00 0.00 C ATOM 199 CD2 PHE A 14 -16.847 7.550 1.830 1.00 0.00 C ATOM 200 CE1 PHE A 14 -15.744 5.133 1.121 1.00 0.00 C ATOM 201 CE2 PHE A 14 -15.837 7.469 0.835 1.00 0.00 C ATOM 202 CZ PHE A 14 -15.307 6.262 0.502 1.00 0.00 C ATOM 0 H PHE A 14 -20.470 7.131 4.482 1.00 0.00 H new ATOM 0 HA PHE A 14 -19.833 5.676 2.126 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -18.648 7.554 3.659 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -17.963 6.159 4.469 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -17.101 4.317 2.608 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -17.268 8.509 2.095 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -15.323 4.174 0.856 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -15.490 8.366 0.343 1.00 0.00 H new ATOM 0 HZ PHE A 14 -14.539 6.200 -0.254 1.00 0.00 H new ATOM 212 N GLY A 15 -19.346 4.120 4.992 1.00 0.00 N ATOM 213 CA GLY A 15 -19.161 2.809 5.590 1.00 0.00 C ATOM 214 C GLY A 15 -20.407 1.940 5.403 1.00 0.00 C ATOM 215 O GLY A 15 -20.318 0.714 5.394 1.00 0.00 O ATOM 0 H GLY A 15 -19.394 4.890 5.659 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -18.299 2.318 5.138 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -18.945 2.917 6.653 1.00 0.00 H new ATOM 219 N SER A 16 -21.541 2.611 5.258 1.00 0.00 N ATOM 220 CA SER A 16 -22.803 1.916 5.072 1.00 0.00 C ATOM 221 C SER A 16 -22.844 1.269 3.686 1.00 0.00 C ATOM 222 O SER A 16 -23.132 0.080 3.561 1.00 0.00 O ATOM 223 CB SER A 16 -23.987 2.869 5.248 1.00 0.00 C ATOM 224 OG SER A 16 -24.922 2.386 6.209 1.00 0.00 O ATOM 0 H SER A 16 -21.612 3.629 5.266 1.00 0.00 H new ATOM 0 HA SER A 16 -22.881 1.138 5.832 1.00 0.00 H new ATOM 0 HB2 SER A 16 -23.622 3.848 5.558 1.00 0.00 H new ATOM 0 HB3 SER A 16 -24.489 3.005 4.290 1.00 0.00 H new ATOM 0 HG SER A 16 -25.662 3.023 6.294 1.00 0.00 H new ATOM 230 N ILE A 17 -22.553 2.080 2.680 1.00 0.00 N ATOM 231 CA ILE A 17 -22.553 1.601 1.309 1.00 0.00 C ATOM 232 C ILE A 17 -21.425 0.583 1.128 1.00 0.00 C ATOM 233 O ILE A 17 -21.680 -0.587 0.848 1.00 0.00 O ATOM 234 CB ILE A 17 -22.483 2.776 0.331 1.00 0.00 C ATOM 235 CG1 ILE A 17 -23.698 3.692 0.487 1.00 0.00 C ATOM 236 CG2 ILE A 17 -22.317 2.283 -1.108 1.00 0.00 C ATOM 237 CD1 ILE A 17 -24.965 3.018 -0.043 1.00 0.00 C ATOM 0 H ILE A 17 -22.316 3.066 2.787 1.00 0.00 H new ATOM 0 HA ILE A 17 -23.487 1.085 1.086 1.00 0.00 H new ATOM 0 HB ILE A 17 -21.600 3.369 0.572 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -23.831 3.949 1.538 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -23.526 4.625 -0.050 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -22.270 3.138 -1.782 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -21.397 1.705 -1.191 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -23.166 1.655 -1.378 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -25.814 3.691 0.080 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -24.838 2.784 -1.100 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -25.148 2.098 0.513 1.00 0.00 H new ATOM 249 N PHE A 18 -20.203 1.066 1.296 1.00 0.00 N ATOM 250 CA PHE A 18 -19.035 0.212 1.155 1.00 0.00 C ATOM 251 C PHE A 18 -19.196 -1.075 1.966 1.00 0.00 C ATOM 252 O PHE A 18 -18.928 -2.166 1.466 1.00 0.00 O ATOM 253 CB PHE A 18 -17.839 0.997 1.698 1.00 0.00 C ATOM 254 CG PHE A 18 -16.526 0.715 0.965 1.00 0.00 C ATOM 255 CD1 PHE A 18 -16.389 1.063 -0.342 1.00 0.00 C ATOM 256 CD2 PHE A 18 -15.496 0.118 1.622 1.00 0.00 C ATOM 257 CE1 PHE A 18 -15.170 0.802 -1.022 1.00 0.00 C ATOM 258 CE2 PHE A 18 -14.277 -0.143 0.942 1.00 0.00 C ATOM 259 CZ PHE A 18 -14.140 0.204 -0.366 1.00 0.00 C ATOM 0 H PHE A 18 -19.996 2.037 1.528 1.00 0.00 H new ATOM 0 HA PHE A 18 -18.900 -0.064 0.109 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -18.058 2.063 1.634 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -17.712 0.761 2.754 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -17.207 1.538 -0.863 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -15.605 -0.158 2.661 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -15.061 1.078 -2.060 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -13.459 -0.617 1.463 1.00 0.00 H new ATOM 0 HZ PHE A 18 -13.213 0.005 -0.883 1.00 0.00 H new ATOM 441 N ILE A 30 -5.629 -8.231 -8.087 1.00 0.00 N ATOM 442 CA ILE A 30 -6.609 -7.368 -7.449 1.00 0.00 C ATOM 443 C ILE A 30 -5.953 -6.638 -6.275 1.00 0.00 C ATOM 444 O ILE A 30 -6.401 -5.563 -5.880 1.00 0.00 O ATOM 445 CB ILE A 30 -7.853 -8.169 -7.058 1.00 0.00 C ATOM 446 CG1 ILE A 30 -7.542 -9.144 -5.921 1.00 0.00 C ATOM 447 CG2 ILE A 30 -8.453 -8.878 -8.274 1.00 0.00 C ATOM 448 CD1 ILE A 30 -7.825 -8.506 -4.559 1.00 0.00 C ATOM 0 HA ILE A 30 -6.955 -6.604 -8.145 1.00 0.00 H new ATOM 0 HB ILE A 30 -8.606 -7.473 -6.688 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -8.143 -10.046 -6.036 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -6.497 -9.449 -5.974 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -9.336 -9.440 -7.969 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -8.735 -8.139 -9.024 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -7.716 -9.561 -8.697 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -7.596 -9.220 -3.768 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -7.205 -7.618 -4.437 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -8.876 -8.225 -4.500 1.00 0.00 H new ATOM 460 N ALA A 31 -4.903 -7.252 -5.751 1.00 0.00 N ATOM 461 CA ALA A 31 -4.181 -6.674 -4.630 1.00 0.00 C ATOM 462 C ALA A 31 -3.494 -5.383 -5.082 1.00 0.00 C ATOM 463 O ALA A 31 -3.730 -4.319 -4.513 1.00 0.00 O ATOM 464 CB ALA A 31 -3.188 -7.699 -4.078 1.00 0.00 C ATOM 0 H ALA A 31 -4.535 -8.144 -6.082 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.868 -6.418 -3.823 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.647 -7.265 -3.237 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.728 -8.585 -3.744 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.481 -7.978 -4.859 1.00 0.00 H new ATOM 470 N GLY A 32 -2.659 -5.521 -6.101 1.00 0.00 N ATOM 471 CA GLY A 32 -1.937 -4.379 -6.636 1.00 0.00 C ATOM 472 C GLY A 32 -2.903 -3.318 -7.166 1.00 0.00 C ATOM 473 O GLY A 32 -2.726 -2.128 -6.909 1.00 0.00 O ATOM 0 H GLY A 32 -2.466 -6.406 -6.570 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.307 -3.946 -5.859 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.275 -4.706 -7.438 1.00 0.00 H new ATOM 477 N LEU A 33 -3.905 -3.787 -7.895 1.00 0.00 N ATOM 478 CA LEU A 33 -4.900 -2.894 -8.463 1.00 0.00 C ATOM 479 C LEU A 33 -5.454 -1.988 -7.362 1.00 0.00 C ATOM 480 O LEU A 33 -5.367 -0.764 -7.458 1.00 0.00 O ATOM 481 CB LEU A 33 -5.976 -3.691 -9.203 1.00 0.00 C ATOM 482 CG LEU A 33 -7.248 -2.923 -9.569 1.00 0.00 C ATOM 483 CD1 LEU A 33 -7.253 -2.547 -11.052 1.00 0.00 C ATOM 484 CD2 LEU A 33 -8.498 -3.711 -9.173 1.00 0.00 C ATOM 0 H LEU A 33 -4.049 -4.775 -8.105 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.446 -2.245 -9.212 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.540 -4.089 -10.119 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.256 -4.545 -8.586 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.261 -1.993 -9.001 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.168 -2.002 -11.286 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.390 -1.918 -11.271 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.205 -3.452 -11.657 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.388 -3.143 -9.444 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.506 -4.668 -9.695 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.493 -3.885 -8.097 1.00 0.00 H new ATOM 496 N PHE A 34 -6.010 -2.623 -6.341 1.00 0.00 N ATOM 497 CA PHE A 34 -6.578 -1.890 -5.223 1.00 0.00 C ATOM 498 C PHE A 34 -5.542 -0.951 -4.600 1.00 0.00 C ATOM 499 O PHE A 34 -5.865 0.175 -4.226 1.00 0.00 O ATOM 500 CB PHE A 34 -7.004 -2.924 -4.179 1.00 0.00 C ATOM 501 CG PHE A 34 -7.988 -2.388 -3.137 1.00 0.00 C ATOM 502 CD1 PHE A 34 -9.313 -2.309 -3.430 1.00 0.00 C ATOM 503 CD2 PHE A 34 -7.536 -1.991 -1.917 1.00 0.00 C ATOM 504 CE1 PHE A 34 -10.226 -1.811 -2.463 1.00 0.00 C ATOM 505 CE2 PHE A 34 -8.449 -1.494 -0.950 1.00 0.00 C ATOM 506 CZ PHE A 34 -9.774 -1.414 -1.243 1.00 0.00 C ATOM 0 H PHE A 34 -6.079 -3.638 -6.265 1.00 0.00 H new ATOM 0 HA PHE A 34 -7.419 -1.286 -5.564 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -7.458 -3.774 -4.689 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.116 -3.296 -3.668 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -9.671 -2.625 -4.398 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -6.483 -2.054 -1.684 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -11.279 -1.748 -2.696 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -8.091 -1.179 0.019 1.00 0.00 H new ATOM 0 HZ PHE A 34 -10.468 -1.035 -0.507 1.00 0.00 H new ATOM 516 N VAL A 35 -4.318 -1.450 -4.508 1.00 0.00 N ATOM 517 CA VAL A 35 -3.233 -0.671 -3.937 1.00 0.00 C ATOM 518 C VAL A 35 -3.019 0.590 -4.778 1.00 0.00 C ATOM 519 O VAL A 35 -2.671 1.643 -4.247 1.00 0.00 O ATOM 520 CB VAL A 35 -1.975 -1.533 -3.821 1.00 0.00 C ATOM 521 CG1 VAL A 35 -0.714 -0.666 -3.827 1.00 0.00 C ATOM 522 CG2 VAL A 35 -2.028 -2.414 -2.571 1.00 0.00 C ATOM 0 H VAL A 35 -4.054 -2.385 -4.820 1.00 0.00 H new ATOM 0 HA VAL A 35 -3.484 -0.349 -2.926 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.936 -2.188 -4.692 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.166 -1.303 -3.743 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.666 -0.101 -4.758 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.743 0.025 -2.984 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.122 -3.017 -2.512 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.103 -1.784 -1.685 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.897 -3.070 -2.625 1.00 0.00 H new ATOM 532 N GLY A 36 -3.236 0.440 -6.077 1.00 0.00 N ATOM 533 CA GLY A 36 -3.071 1.552 -6.996 1.00 0.00 C ATOM 534 C GLY A 36 -4.199 2.573 -6.831 1.00 0.00 C ATOM 535 O GLY A 36 -3.956 3.778 -6.833 1.00 0.00 O ATOM 0 H GLY A 36 -3.525 -0.435 -6.514 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.110 2.035 -6.819 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -3.058 1.182 -8.021 1.00 0.00 H new ATOM 539 N CYS A 37 -5.409 2.051 -6.691 1.00 0.00 N ATOM 540 CA CYS A 37 -6.575 2.902 -6.525 1.00 0.00 C ATOM 541 C CYS A 37 -6.390 3.727 -5.250 1.00 0.00 C ATOM 542 O CYS A 37 -6.568 4.945 -5.264 1.00 0.00 O ATOM 543 CB CYS A 37 -7.870 2.086 -6.494 1.00 0.00 C ATOM 544 SG CYS A 37 -9.137 2.884 -7.545 1.00 0.00 S ATOM 0 H CYS A 37 -5.607 1.050 -6.689 1.00 0.00 H new ATOM 0 HA CYS A 37 -6.665 3.572 -7.380 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -7.679 1.072 -6.846 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -8.234 2.005 -5.470 1.00 0.00 H new ATOM 0 HG CYS A 37 -10.231 2.183 -7.514 1.00 0.00 H new ATOM 550 N LEU A 38 -6.035 3.032 -4.179 1.00 0.00 N ATOM 551 CA LEU A 38 -5.824 3.686 -2.899 1.00 0.00 C ATOM 552 C LEU A 38 -4.575 4.566 -2.981 1.00 0.00 C ATOM 553 O LEU A 38 -4.498 5.604 -2.325 1.00 0.00 O ATOM 554 CB LEU A 38 -5.777 2.653 -1.771 1.00 0.00 C ATOM 555 CG LEU A 38 -4.404 2.044 -1.477 1.00 0.00 C ATOM 556 CD1 LEU A 38 -3.553 2.994 -0.631 1.00 0.00 C ATOM 557 CD2 LEU A 38 -4.544 0.666 -0.827 1.00 0.00 C ATOM 0 H LEU A 38 -5.888 2.023 -4.172 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.662 4.343 -2.663 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.147 3.122 -0.860 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.466 1.845 -2.016 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.883 1.902 -2.424 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.583 2.537 -0.436 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.412 3.932 -1.168 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.058 3.190 0.315 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.554 0.255 -0.628 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.093 0.760 0.110 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.085 -0.000 -1.499 1.00 0.00 H new ATOM 569 N ALA A 39 -3.627 4.118 -3.791 1.00 0.00 N ATOM 570 CA ALA A 39 -2.385 4.851 -3.966 1.00 0.00 C ATOM 571 C ALA A 39 -2.696 6.257 -4.483 1.00 0.00 C ATOM 572 O ALA A 39 -2.124 7.238 -4.008 1.00 0.00 O ATOM 573 CB ALA A 39 -1.462 4.075 -4.909 1.00 0.00 C ATOM 0 H ALA A 39 -3.694 3.257 -4.333 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.865 4.957 -3.014 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.530 4.625 -5.040 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.248 3.095 -4.483 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.950 3.952 -5.876 1.00 0.00 H new ATOM 579 N GLY A 40 -3.602 6.312 -5.448 1.00 0.00 N ATOM 580 CA GLY A 40 -3.997 7.581 -6.034 1.00 0.00 C ATOM 581 C GLY A 40 -4.849 8.395 -5.057 1.00 0.00 C ATOM 582 O GLY A 40 -4.487 9.513 -4.694 1.00 0.00 O ATOM 0 H GLY A 40 -4.074 5.497 -5.839 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.109 8.150 -6.310 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.559 7.403 -6.951 1.00 0.00 H new ATOM 768 N ASP A 52 4.133 11.541 -5.080 1.00 0.00 N ATOM 769 CA ASP A 52 2.954 10.827 -5.542 1.00 0.00 C ATOM 770 C ASP A 52 3.372 9.456 -6.076 1.00 0.00 C ATOM 771 O ASP A 52 2.637 8.480 -5.931 1.00 0.00 O ATOM 772 CB ASP A 52 2.260 11.585 -6.675 1.00 0.00 C ATOM 773 CG ASP A 52 1.162 10.803 -7.398 1.00 0.00 C ATOM 774 OD1 ASP A 52 0.610 9.831 -6.860 1.00 0.00 O ATOM 775 OD2 ASP A 52 0.873 11.234 -8.579 1.00 0.00 O ATOM 0 HA ASP A 52 2.267 10.729 -4.701 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.827 12.499 -6.269 1.00 0.00 H new ATOM 0 HB3 ASP A 52 3.012 11.886 -7.405 1.00 0.00 H new ATOM 780 N VAL A 53 4.549 9.425 -6.682 1.00 0.00 N ATOM 781 CA VAL A 53 5.073 8.189 -7.238 1.00 0.00 C ATOM 782 C VAL A 53 5.880 7.454 -6.166 1.00 0.00 C ATOM 783 O VAL A 53 6.175 6.269 -6.310 1.00 0.00 O ATOM 784 CB VAL A 53 5.886 8.487 -8.500 1.00 0.00 C ATOM 785 CG1 VAL A 53 6.253 7.194 -9.232 1.00 0.00 C ATOM 786 CG2 VAL A 53 5.133 9.445 -9.424 1.00 0.00 C ATOM 0 H VAL A 53 5.155 10.237 -6.800 1.00 0.00 H new ATOM 0 HA VAL A 53 4.259 7.530 -7.540 1.00 0.00 H new ATOM 0 HB VAL A 53 6.812 8.975 -8.195 1.00 0.00 H new ATOM 0 HG11 VAL A 53 6.830 7.433 -10.125 1.00 0.00 H new ATOM 0 HG12 VAL A 53 6.848 6.560 -8.574 1.00 0.00 H new ATOM 0 HG13 VAL A 53 5.343 6.667 -9.518 1.00 0.00 H new ATOM 0 HG21 VAL A 53 5.733 9.640 -10.313 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.184 8.996 -9.718 1.00 0.00 H new ATOM 0 HG23 VAL A 53 4.945 10.382 -8.901 1.00 0.00 H new ATOM 796 N LYS A 54 6.215 8.189 -5.116 1.00 0.00 N ATOM 797 CA LYS A 54 6.983 7.621 -4.020 1.00 0.00 C ATOM 798 C LYS A 54 6.208 6.450 -3.413 1.00 0.00 C ATOM 799 O LYS A 54 6.775 5.386 -3.170 1.00 0.00 O ATOM 800 CB LYS A 54 7.351 8.706 -3.006 1.00 0.00 C ATOM 801 CG LYS A 54 8.536 8.269 -2.142 1.00 0.00 C ATOM 802 CD LYS A 54 9.189 9.472 -1.458 1.00 0.00 C ATOM 803 CE LYS A 54 10.690 9.246 -1.265 1.00 0.00 C ATOM 804 NZ LYS A 54 11.457 10.408 -1.764 1.00 0.00 N ATOM 0 H LYS A 54 5.969 9.172 -5.000 1.00 0.00 H new ATOM 0 HA LYS A 54 7.930 7.222 -4.384 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.599 9.629 -3.530 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.492 8.921 -2.370 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.199 7.557 -1.389 1.00 0.00 H new ATOM 0 HG3 LYS A 54 9.271 7.754 -2.760 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.027 10.368 -2.057 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.717 9.646 -0.491 1.00 0.00 H new ATOM 0 HE2 LYS A 54 10.907 9.086 -0.209 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.999 8.344 -1.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 12.474 10.238 -1.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.263 10.543 -2.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 11.174 11.261 -1.241 1.00 0.00 H new ATOM 818 N VAL A 55 4.924 6.685 -3.187 1.00 0.00 N ATOM 819 CA VAL A 55 4.065 5.663 -2.613 1.00 0.00 C ATOM 820 C VAL A 55 3.834 4.559 -3.647 1.00 0.00 C ATOM 821 O VAL A 55 3.766 3.381 -3.298 1.00 0.00 O ATOM 822 CB VAL A 55 2.765 6.293 -2.110 1.00 0.00 C ATOM 823 CG1 VAL A 55 1.965 6.896 -3.267 1.00 0.00 C ATOM 824 CG2 VAL A 55 1.927 5.275 -1.335 1.00 0.00 C ATOM 0 H VAL A 55 4.457 7.569 -3.391 1.00 0.00 H new ATOM 0 HA VAL A 55 4.543 5.204 -1.748 1.00 0.00 H new ATOM 0 HB VAL A 55 3.026 7.101 -1.427 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.046 7.337 -2.882 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.560 7.666 -3.758 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.719 6.114 -3.986 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.008 5.748 -0.988 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.680 4.436 -1.986 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.495 4.914 -0.478 1.00 0.00 H new ATOM 834 N SER A 56 3.718 4.978 -4.898 1.00 0.00 N ATOM 835 CA SER A 56 3.496 4.040 -5.985 1.00 0.00 C ATOM 836 C SER A 56 4.535 2.919 -5.929 1.00 0.00 C ATOM 837 O SER A 56 4.182 1.743 -5.859 1.00 0.00 O ATOM 838 CB SER A 56 3.548 4.745 -7.342 1.00 0.00 C ATOM 839 OG SER A 56 2.627 4.183 -8.272 1.00 0.00 O ATOM 0 H SER A 56 3.774 5.956 -5.184 1.00 0.00 H new ATOM 0 HA SER A 56 2.501 3.611 -5.868 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.328 5.804 -7.209 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.558 4.678 -7.747 1.00 0.00 H new ATOM 0 HG SER A 56 2.985 4.270 -9.180 1.00 0.00 H new ATOM 845 N LEU A 57 5.797 3.323 -5.963 1.00 0.00 N ATOM 846 CA LEU A 57 6.890 2.367 -5.918 1.00 0.00 C ATOM 847 C LEU A 57 7.022 1.816 -4.496 1.00 0.00 C ATOM 848 O LEU A 57 6.837 0.621 -4.270 1.00 0.00 O ATOM 849 CB LEU A 57 8.177 2.998 -6.454 1.00 0.00 C ATOM 850 CG LEU A 57 9.106 2.066 -7.234 1.00 0.00 C ATOM 851 CD1 LEU A 57 9.933 2.846 -8.258 1.00 0.00 C ATOM 852 CD2 LEU A 57 9.989 1.253 -6.285 1.00 0.00 C ATOM 0 H LEU A 57 6.086 4.299 -6.021 1.00 0.00 H new ATOM 0 HA LEU A 57 6.681 1.520 -6.571 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.907 3.833 -7.100 1.00 0.00 H new ATOM 0 HB3 LEU A 57 8.733 3.412 -5.613 1.00 0.00 H new ATOM 0 HG LEU A 57 8.491 1.358 -7.789 1.00 0.00 H new ATOM 0 HD11 LEU A 57 10.585 2.159 -8.798 1.00 0.00 H new ATOM 0 HD12 LEU A 57 9.266 3.343 -8.962 1.00 0.00 H new ATOM 0 HD13 LEU A 57 10.539 3.592 -7.744 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.640 0.599 -6.865 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.597 1.930 -5.684 1.00 0.00 H new ATOM 0 HD23 LEU A 57 9.360 0.651 -5.629 1.00 0.00 H new ATOM 864 N PHE A 58 7.339 2.714 -3.575 1.00 0.00 N ATOM 865 CA PHE A 58 7.498 2.333 -2.182 1.00 0.00 C ATOM 866 C PHE A 58 6.490 1.251 -1.792 1.00 0.00 C ATOM 867 O PHE A 58 6.819 0.332 -1.043 1.00 0.00 O ATOM 868 CB PHE A 58 7.234 3.585 -1.343 1.00 0.00 C ATOM 869 CG PHE A 58 7.327 3.354 0.166 1.00 0.00 C ATOM 870 CD1 PHE A 58 6.354 2.655 0.808 1.00 0.00 C ATOM 871 CD2 PHE A 58 8.383 3.849 0.866 1.00 0.00 C ATOM 872 CE1 PHE A 58 6.440 2.440 2.209 1.00 0.00 C ATOM 873 CE2 PHE A 58 8.470 3.634 2.267 1.00 0.00 C ATOM 874 CZ PHE A 58 7.496 2.934 2.909 1.00 0.00 C ATOM 0 H PHE A 58 7.490 3.704 -3.766 1.00 0.00 H new ATOM 0 HA PHE A 58 8.500 1.936 -2.017 1.00 0.00 H new ATOM 0 HB2 PHE A 58 7.949 4.357 -1.627 1.00 0.00 H new ATOM 0 HB3 PHE A 58 6.241 3.967 -1.581 1.00 0.00 H new ATOM 0 HD1 PHE A 58 5.515 2.263 0.252 1.00 0.00 H new ATOM 0 HD2 PHE A 58 9.155 4.406 0.356 1.00 0.00 H new ATOM 0 HE1 PHE A 58 5.667 1.884 2.719 1.00 0.00 H new ATOM 0 HE2 PHE A 58 9.309 4.026 2.823 1.00 0.00 H new ATOM 0 HZ PHE A 58 7.561 2.771 3.975 1.00 0.00 H new ATOM 884 N THR A 59 5.281 1.395 -2.316 1.00 0.00 N ATOM 885 CA THR A 59 4.223 0.441 -2.032 1.00 0.00 C ATOM 886 C THR A 59 4.442 -0.850 -2.824 1.00 0.00 C ATOM 887 O THR A 59 4.602 -1.921 -2.241 1.00 0.00 O ATOM 888 CB THR A 59 2.884 1.118 -2.330 1.00 0.00 C ATOM 889 OG1 THR A 59 2.842 2.218 -1.426 1.00 0.00 O ATOM 890 CG2 THR A 59 1.688 0.254 -1.923 1.00 0.00 C ATOM 0 H THR A 59 5.011 2.159 -2.936 1.00 0.00 H new ATOM 0 HA THR A 59 4.227 0.146 -0.983 1.00 0.00 H new ATOM 0 HB THR A 59 2.821 1.346 -3.394 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.292 2.990 -1.829 1.00 0.00 H new ATOM 0 HG21 THR A 59 0.763 0.781 -2.156 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.717 -0.688 -2.470 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.732 0.053 -0.853 1.00 0.00 H new ATOM 898 N ALA A 60 4.442 -0.705 -4.141 1.00 0.00 N ATOM 899 CA ALA A 60 4.638 -1.846 -5.019 1.00 0.00 C ATOM 900 C ALA A 60 5.720 -2.755 -4.433 1.00 0.00 C ATOM 901 O ALA A 60 5.549 -3.972 -4.376 1.00 0.00 O ATOM 902 CB ALA A 60 4.989 -1.354 -6.425 1.00 0.00 C ATOM 0 H ALA A 60 4.309 0.185 -4.621 1.00 0.00 H new ATOM 0 HA ALA A 60 3.722 -2.432 -5.097 1.00 0.00 H new ATOM 0 HB1 ALA A 60 5.136 -2.210 -7.084 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.176 -0.737 -6.808 1.00 0.00 H new ATOM 0 HB3 ALA A 60 5.905 -0.764 -6.386 1.00 0.00 H new ATOM 908 N PHE A 61 6.809 -2.130 -4.011 1.00 0.00 N ATOM 909 CA PHE A 61 7.918 -2.867 -3.431 1.00 0.00 C ATOM 910 C PHE A 61 7.553 -3.409 -2.048 1.00 0.00 C ATOM 911 O PHE A 61 7.855 -4.557 -1.727 1.00 0.00 O ATOM 912 CB PHE A 61 9.083 -1.885 -3.290 1.00 0.00 C ATOM 913 CG PHE A 61 10.437 -2.462 -3.708 1.00 0.00 C ATOM 914 CD1 PHE A 61 10.890 -3.613 -3.142 1.00 0.00 C ATOM 915 CD2 PHE A 61 11.188 -1.824 -4.646 1.00 0.00 C ATOM 916 CE1 PHE A 61 12.147 -4.149 -3.530 1.00 0.00 C ATOM 917 CE2 PHE A 61 12.445 -2.360 -5.034 1.00 0.00 C ATOM 918 CZ PHE A 61 12.898 -3.511 -4.468 1.00 0.00 C ATOM 0 H PHE A 61 6.947 -1.121 -4.059 1.00 0.00 H new ATOM 0 HA PHE A 61 8.175 -3.714 -4.067 1.00 0.00 H new ATOM 0 HB2 PHE A 61 8.875 -1.001 -3.893 1.00 0.00 H new ATOM 0 HB3 PHE A 61 9.144 -1.556 -2.253 1.00 0.00 H new ATOM 0 HD1 PHE A 61 10.294 -4.119 -2.397 1.00 0.00 H new ATOM 0 HD2 PHE A 61 10.829 -0.910 -5.096 1.00 0.00 H new ATOM 0 HE1 PHE A 61 12.506 -5.063 -3.080 1.00 0.00 H new ATOM 0 HE2 PHE A 61 13.041 -1.854 -5.779 1.00 0.00 H new ATOM 0 HZ PHE A 61 13.854 -3.918 -4.763 1.00 0.00 H new ATOM 928 N PHE A 62 6.908 -2.556 -1.265 1.00 0.00 N ATOM 929 CA PHE A 62 6.499 -2.935 0.077 1.00 0.00 C ATOM 930 C PHE A 62 5.607 -4.177 0.048 1.00 0.00 C ATOM 931 O PHE A 62 5.972 -5.220 0.588 1.00 0.00 O ATOM 932 CB PHE A 62 5.700 -1.761 0.648 1.00 0.00 C ATOM 933 CG PHE A 62 5.088 -2.036 2.024 1.00 0.00 C ATOM 934 CD1 PHE A 62 5.874 -2.012 3.134 1.00 0.00 C ATOM 935 CD2 PHE A 62 3.760 -2.304 2.136 1.00 0.00 C ATOM 936 CE1 PHE A 62 5.306 -2.267 4.410 1.00 0.00 C ATOM 937 CE2 PHE A 62 3.193 -2.559 3.413 1.00 0.00 C ATOM 938 CZ PHE A 62 3.978 -2.535 4.523 1.00 0.00 C ATOM 0 H PHE A 62 6.659 -1.604 -1.534 1.00 0.00 H new ATOM 0 HA PHE A 62 7.376 -3.165 0.683 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.353 -0.891 0.719 1.00 0.00 H new ATOM 0 HB3 PHE A 62 4.902 -1.505 -0.049 1.00 0.00 H new ATOM 0 HD1 PHE A 62 6.929 -1.799 3.045 1.00 0.00 H new ATOM 0 HD2 PHE A 62 3.136 -2.323 1.254 1.00 0.00 H new ATOM 0 HE1 PHE A 62 5.929 -2.248 5.292 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.138 -2.772 3.502 1.00 0.00 H new ATOM 0 HZ PHE A 62 3.547 -2.729 5.494 1.00 0.00 H new ATOM 948 N LEU A 63 4.455 -4.025 -0.589 1.00 0.00 N ATOM 949 CA LEU A 63 3.508 -5.122 -0.696 1.00 0.00 C ATOM 950 C LEU A 63 4.205 -6.332 -1.321 1.00 0.00 C ATOM 951 O LEU A 63 4.106 -7.445 -0.806 1.00 0.00 O ATOM 952 CB LEU A 63 2.254 -4.676 -1.451 1.00 0.00 C ATOM 953 CG LEU A 63 0.972 -5.451 -1.138 1.00 0.00 C ATOM 954 CD1 LEU A 63 -0.101 -4.525 -0.562 1.00 0.00 C ATOM 955 CD2 LEU A 63 0.474 -6.208 -2.371 1.00 0.00 C ATOM 0 H LEU A 63 4.156 -3.158 -1.036 1.00 0.00 H new ATOM 0 HA LEU A 63 3.165 -5.427 0.293 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.080 -3.622 -1.235 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.451 -4.754 -2.520 1.00 0.00 H new ATOM 0 HG LEU A 63 1.200 -6.194 -0.374 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.002 -5.100 -0.348 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.266 -4.071 0.358 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.333 -3.743 -1.285 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.438 -6.750 -2.121 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.267 -5.500 -3.174 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.238 -6.914 -2.698 1.00 0.00 H new ATOM 967 N ALA A 64 4.894 -6.074 -2.423 1.00 0.00 N ATOM 968 CA ALA A 64 5.607 -7.129 -3.124 1.00 0.00 C ATOM 969 C ALA A 64 6.425 -7.941 -2.118 1.00 0.00 C ATOM 970 O ALA A 64 6.465 -9.168 -2.193 1.00 0.00 O ATOM 971 CB ALA A 64 6.477 -6.514 -4.222 1.00 0.00 C ATOM 0 H ALA A 64 4.974 -5.150 -2.848 1.00 0.00 H new ATOM 0 HA ALA A 64 4.907 -7.811 -3.606 1.00 0.00 H new ATOM 0 HB1 ALA A 64 7.012 -7.305 -4.748 1.00 0.00 H new ATOM 0 HB2 ALA A 64 5.845 -5.973 -4.926 1.00 0.00 H new ATOM 0 HB3 ALA A 64 7.194 -5.826 -3.775 1.00 0.00 H new ATOM 977 N THR A 65 7.056 -7.224 -1.200 1.00 0.00 N ATOM 978 CA THR A 65 7.870 -7.863 -0.181 1.00 0.00 C ATOM 979 C THR A 65 6.982 -8.556 0.855 1.00 0.00 C ATOM 980 O THR A 65 7.296 -9.653 1.313 1.00 0.00 O ATOM 981 CB THR A 65 8.792 -6.802 0.423 1.00 0.00 C ATOM 982 OG1 THR A 65 9.918 -6.782 -0.451 1.00 0.00 O ATOM 983 CG2 THR A 65 9.375 -7.230 1.771 1.00 0.00 C ATOM 0 H THR A 65 7.020 -6.206 -1.141 1.00 0.00 H new ATOM 0 HA THR A 65 8.492 -8.650 -0.609 1.00 0.00 H new ATOM 0 HB THR A 65 8.240 -5.870 0.546 1.00 0.00 H new ATOM 0 HG1 THR A 65 10.566 -6.119 -0.134 1.00 0.00 H new ATOM 0 HG21 THR A 65 10.022 -6.441 2.155 1.00 0.00 H new ATOM 0 HG22 THR A 65 8.564 -7.411 2.477 1.00 0.00 H new ATOM 0 HG23 THR A 65 9.955 -8.144 1.643 1.00 0.00 H new ATOM 991 N ILE A 66 5.891 -7.886 1.194 1.00 0.00 N ATOM 992 CA ILE A 66 4.955 -8.423 2.167 1.00 0.00 C ATOM 993 C ILE A 66 4.487 -9.806 1.709 1.00 0.00 C ATOM 994 O ILE A 66 4.676 -10.794 2.416 1.00 0.00 O ATOM 995 CB ILE A 66 3.811 -7.436 2.411 1.00 0.00 C ATOM 996 CG1 ILE A 66 4.305 -6.199 3.164 1.00 0.00 C ATOM 997 CG2 ILE A 66 2.644 -8.117 3.131 1.00 0.00 C ATOM 998 CD1 ILE A 66 4.765 -6.564 4.577 1.00 0.00 C ATOM 0 H ILE A 66 5.634 -6.976 0.812 1.00 0.00 H new ATOM 0 HA ILE A 66 5.443 -8.555 3.133 1.00 0.00 H new ATOM 0 HB ILE A 66 3.440 -7.097 1.444 1.00 0.00 H new ATOM 0 HG12 ILE A 66 5.129 -5.741 2.617 1.00 0.00 H new ATOM 0 HG13 ILE A 66 3.507 -5.459 3.218 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.844 -7.394 3.292 1.00 0.00 H new ATOM 0 HG22 ILE A 66 2.271 -8.940 2.522 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.984 -8.502 4.092 1.00 0.00 H new ATOM 0 HD11 ILE A 66 5.111 -5.667 5.090 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.933 -7.000 5.129 1.00 0.00 H new ATOM 0 HD13 ILE A 66 5.580 -7.286 4.519 1.00 0.00 H new ATOM 1010 N MET A 67 3.887 -9.831 0.528 1.00 0.00 N ATOM 1011 CA MET A 67 3.391 -11.076 -0.032 1.00 0.00 C ATOM 1012 C MET A 67 4.546 -11.999 -0.425 1.00 0.00 C ATOM 1013 O MET A 67 4.624 -13.135 0.041 1.00 0.00 O ATOM 1014 CB MET A 67 2.534 -10.776 -1.264 1.00 0.00 C ATOM 1015 CG MET A 67 1.267 -11.633 -1.273 1.00 0.00 C ATOM 1016 SD MET A 67 0.794 -12.007 -2.953 1.00 0.00 S ATOM 1017 CE MET A 67 2.090 -13.152 -3.393 1.00 0.00 C ATOM 0 H MET A 67 3.733 -9.009 -0.056 1.00 0.00 H new ATOM 0 HA MET A 67 2.790 -11.580 0.725 1.00 0.00 H new ATOM 0 HB2 MET A 67 2.263 -9.720 -1.275 1.00 0.00 H new ATOM 0 HB3 MET A 67 3.112 -10.966 -2.168 1.00 0.00 H new ATOM 0 HG2 MET A 67 1.439 -12.557 -0.721 1.00 0.00 H new ATOM 0 HG3 MET A 67 0.458 -11.106 -0.768 1.00 0.00 H new ATOM 0 HE1 MET A 67 1.707 -13.875 -4.113 1.00 0.00 H new ATOM 0 HE2 MET A 67 2.923 -12.606 -3.835 1.00 0.00 H new ATOM 0 HE3 MET A 67 2.432 -13.675 -2.500 1.00 0.00 H new ATOM 1027 N GLY A 68 5.414 -11.477 -1.279 1.00 0.00 N ATOM 1028 CA GLY A 68 6.562 -12.240 -1.740 1.00 0.00 C ATOM 1029 C GLY A 68 6.646 -12.235 -3.268 1.00 0.00 C ATOM 1030 O GLY A 68 6.913 -13.267 -3.881 1.00 0.00 O ATOM 0 H GLY A 68 5.346 -10.535 -1.664 1.00 0.00 H new ATOM 0 HA2 GLY A 68 7.476 -11.818 -1.321 1.00 0.00 H new ATOM 0 HA3 GLY A 68 6.490 -13.266 -1.380 1.00 0.00 H new ATOM 1245 N ALA A 80 0.579 -8.885 -10.914 1.00 0.00 N ATOM 1246 CA ALA A 80 0.698 -8.037 -12.087 1.00 0.00 C ATOM 1247 C ALA A 80 0.180 -6.637 -11.753 1.00 0.00 C ATOM 1248 O ALA A 80 0.801 -5.638 -12.114 1.00 0.00 O ATOM 1249 CB ALA A 80 -0.054 -8.674 -13.257 1.00 0.00 C ATOM 0 HA ALA A 80 1.742 -7.940 -12.386 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.036 -8.037 -14.137 1.00 0.00 H new ATOM 0 HB2 ALA A 80 0.372 -9.654 -13.473 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -1.106 -8.786 -12.996 1.00 0.00 H new ATOM 1255 N GLY A 81 -0.955 -6.608 -11.069 1.00 0.00 N ATOM 1256 CA GLY A 81 -1.564 -5.347 -10.683 1.00 0.00 C ATOM 1257 C GLY A 81 -0.648 -4.559 -9.745 1.00 0.00 C ATOM 1258 O GLY A 81 -0.806 -3.350 -9.587 1.00 0.00 O ATOM 0 H GLY A 81 -1.468 -7.438 -10.772 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -1.776 -4.754 -11.573 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.518 -5.536 -10.191 1.00 0.00 H new ATOM 1262 N LEU A 82 0.291 -5.278 -9.146 1.00 0.00 N ATOM 1263 CA LEU A 82 1.234 -4.661 -8.228 1.00 0.00 C ATOM 1264 C LEU A 82 2.014 -3.569 -8.962 1.00 0.00 C ATOM 1265 O LEU A 82 1.706 -2.385 -8.828 1.00 0.00 O ATOM 1266 CB LEU A 82 2.124 -5.724 -7.581 1.00 0.00 C ATOM 1267 CG LEU A 82 3.143 -5.214 -6.559 1.00 0.00 C ATOM 1268 CD1 LEU A 82 2.929 -5.874 -5.196 1.00 0.00 C ATOM 1269 CD2 LEU A 82 4.573 -5.402 -7.070 1.00 0.00 C ATOM 0 H LEU A 82 0.419 -6.281 -9.279 1.00 0.00 H new ATOM 0 HA LEU A 82 0.706 -4.177 -7.406 1.00 0.00 H new ATOM 0 HB2 LEU A 82 1.483 -6.457 -7.091 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.662 -6.249 -8.371 1.00 0.00 H new ATOM 0 HG LEU A 82 2.988 -4.143 -6.426 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.666 -5.494 -4.488 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.927 -5.645 -4.834 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.042 -6.954 -5.293 1.00 0.00 H new ATOM 0 HD21 LEU A 82 5.277 -5.032 -6.325 1.00 0.00 H new ATOM 0 HD22 LEU A 82 4.759 -6.461 -7.250 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.703 -4.848 -7.999 1.00 0.00 H new ATOM 1281 N VAL A 83 3.009 -4.005 -9.721 1.00 0.00 N ATOM 1282 CA VAL A 83 3.835 -3.078 -10.475 1.00 0.00 C ATOM 1283 C VAL A 83 2.976 -2.379 -11.531 1.00 0.00 C ATOM 1284 O VAL A 83 3.010 -1.156 -11.653 1.00 0.00 O ATOM 1285 CB VAL A 83 5.035 -3.816 -11.074 1.00 0.00 C ATOM 1286 CG1 VAL A 83 5.761 -2.941 -12.098 1.00 0.00 C ATOM 1287 CG2 VAL A 83 5.992 -4.286 -9.977 1.00 0.00 C ATOM 0 H VAL A 83 3.261 -4.987 -9.830 1.00 0.00 H new ATOM 0 HA VAL A 83 4.238 -2.305 -9.820 1.00 0.00 H new ATOM 0 HB VAL A 83 4.661 -4.699 -11.593 1.00 0.00 H new ATOM 0 HG11 VAL A 83 6.609 -3.489 -12.508 1.00 0.00 H new ATOM 0 HG12 VAL A 83 5.075 -2.678 -12.903 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.117 -2.032 -11.613 1.00 0.00 H new ATOM 0 HG21 VAL A 83 6.836 -4.807 -10.429 1.00 0.00 H new ATOM 0 HG22 VAL A 83 6.355 -3.424 -9.417 1.00 0.00 H new ATOM 0 HG23 VAL A 83 5.468 -4.962 -9.302 1.00 0.00 H new ATOM 1297 N ALA A 84 2.227 -3.186 -12.267 1.00 0.00 N ATOM 1298 CA ALA A 84 1.360 -2.660 -13.309 1.00 0.00 C ATOM 1299 C ALA A 84 0.475 -1.559 -12.722 1.00 0.00 C ATOM 1300 O ALA A 84 0.098 -0.621 -13.422 1.00 0.00 O ATOM 1301 CB ALA A 84 0.544 -3.801 -13.919 1.00 0.00 C ATOM 0 H ALA A 84 2.202 -4.200 -12.163 1.00 0.00 H new ATOM 0 HA ALA A 84 1.950 -2.216 -14.111 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -0.106 -3.406 -14.700 1.00 0.00 H new ATOM 0 HB2 ALA A 84 1.219 -4.542 -14.348 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -0.063 -4.269 -13.144 1.00 0.00 H new ATOM 1307 N GLY A 85 0.168 -1.710 -11.441 1.00 0.00 N ATOM 1308 CA GLY A 85 -0.666 -0.741 -10.752 1.00 0.00 C ATOM 1309 C GLY A 85 0.108 0.551 -10.477 1.00 0.00 C ATOM 1310 O GLY A 85 -0.360 1.640 -10.805 1.00 0.00 O ATOM 0 H GLY A 85 0.482 -2.489 -10.863 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.547 -0.520 -11.355 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -1.021 -1.164 -9.812 1.00 0.00 H new ATOM 1314 N LEU A 86 1.277 0.386 -9.877 1.00 0.00 N ATOM 1315 CA LEU A 86 2.120 1.524 -9.554 1.00 0.00 C ATOM 1316 C LEU A 86 2.259 2.417 -10.789 1.00 0.00 C ATOM 1317 O LEU A 86 2.160 3.639 -10.690 1.00 0.00 O ATOM 1318 CB LEU A 86 3.459 1.055 -8.981 1.00 0.00 C ATOM 1319 CG LEU A 86 4.650 1.095 -9.940 1.00 0.00 C ATOM 1320 CD1 LEU A 86 5.124 2.533 -10.166 1.00 0.00 C ATOM 1321 CD2 LEU A 86 5.781 0.190 -9.448 1.00 0.00 C ATOM 0 H LEU A 86 1.661 -0.519 -9.606 1.00 0.00 H new ATOM 0 HA LEU A 86 1.660 2.128 -8.772 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.696 1.671 -8.113 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.340 0.032 -8.623 1.00 0.00 H new ATOM 0 HG LEU A 86 4.324 0.707 -10.905 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.971 2.533 -10.851 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.312 3.121 -10.593 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.427 2.970 -9.214 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.615 0.237 -10.148 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.113 0.524 -8.465 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.422 -0.837 -9.380 1.00 0.00 H new ATOM 1333 N SER A 87 2.486 1.772 -11.924 1.00 0.00 N ATOM 1334 CA SER A 87 2.640 2.492 -13.176 1.00 0.00 C ATOM 1335 C SER A 87 1.320 3.167 -13.557 1.00 0.00 C ATOM 1336 O SER A 87 1.281 4.373 -13.795 1.00 0.00 O ATOM 1337 CB SER A 87 3.100 1.558 -14.296 1.00 0.00 C ATOM 1338 OG SER A 87 4.484 1.236 -14.188 1.00 0.00 O ATOM 0 H SER A 87 2.567 0.758 -12.002 1.00 0.00 H new ATOM 0 HA SER A 87 3.406 3.255 -13.039 1.00 0.00 H new ATOM 0 HB2 SER A 87 2.511 0.641 -14.268 1.00 0.00 H new ATOM 0 HB3 SER A 87 2.912 2.029 -15.261 1.00 0.00 H new ATOM 0 HG SER A 87 4.738 0.636 -14.920 1.00 0.00 H new ATOM 1344 N LEU A 88 0.271 2.359 -13.603 1.00 0.00 N ATOM 1345 CA LEU A 88 -1.047 2.862 -13.951 1.00 0.00 C ATOM 1346 C LEU A 88 -1.395 4.040 -13.038 1.00 0.00 C ATOM 1347 O LEU A 88 -2.254 4.855 -13.372 1.00 0.00 O ATOM 1348 CB LEU A 88 -2.078 1.733 -13.918 1.00 0.00 C ATOM 1349 CG LEU A 88 -2.898 1.535 -15.194 1.00 0.00 C ATOM 1350 CD1 LEU A 88 -3.697 2.796 -15.533 1.00 0.00 C ATOM 1351 CD2 LEU A 88 -2.006 1.092 -16.356 1.00 0.00 C ATOM 0 H LEU A 88 0.307 1.359 -13.405 1.00 0.00 H new ATOM 0 HA LEU A 88 -1.054 3.238 -14.974 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.559 0.801 -13.695 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.766 1.920 -13.093 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.617 0.735 -15.017 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -4.271 2.629 -16.444 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.377 3.027 -14.713 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.013 3.631 -15.683 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.614 0.958 -17.251 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.247 1.852 -16.543 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.520 0.149 -16.103 1.00 0.00 H new ATOM 1363 N MET A 89 -0.710 4.092 -11.905 1.00 0.00 N ATOM 1364 CA MET A 89 -0.936 5.157 -10.943 1.00 0.00 C ATOM 1365 C MET A 89 -0.208 6.436 -11.359 1.00 0.00 C ATOM 1366 O MET A 89 -0.843 7.434 -11.697 1.00 0.00 O ATOM 1367 CB MET A 89 -0.442 4.713 -9.565 1.00 0.00 C ATOM 1368 CG MET A 89 -1.436 5.109 -8.471 1.00 0.00 C ATOM 1369 SD MET A 89 -0.650 6.202 -7.299 1.00 0.00 S ATOM 1370 CE MET A 89 -0.533 7.684 -8.288 1.00 0.00 C ATOM 0 H MET A 89 0.001 3.414 -11.632 1.00 0.00 H new ATOM 0 HA MET A 89 -2.005 5.366 -10.906 1.00 0.00 H new ATOM 0 HB2 MET A 89 -0.299 3.632 -9.557 1.00 0.00 H new ATOM 0 HB3 MET A 89 0.529 5.165 -9.360 1.00 0.00 H new ATOM 0 HG2 MET A 89 -2.302 5.600 -8.915 1.00 0.00 H new ATOM 0 HG3 MET A 89 -1.802 4.218 -7.961 1.00 0.00 H new ATOM 0 HE1 MET A 89 0.514 7.891 -8.510 1.00 0.00 H new ATOM 0 HE2 MET A 89 -1.081 7.544 -9.220 1.00 0.00 H new ATOM 0 HE3 MET A 89 -0.960 8.523 -7.739 1.00 0.00 H new ATOM 1380 N MET A 90 1.114 6.366 -11.320 1.00 0.00 N ATOM 1381 CA MET A 90 1.936 7.506 -11.689 1.00 0.00 C ATOM 1382 C MET A 90 1.512 8.071 -13.046 1.00 0.00 C ATOM 1383 O MET A 90 1.782 9.232 -13.351 1.00 0.00 O ATOM 1384 CB MET A 90 3.404 7.080 -11.748 1.00 0.00 C ATOM 1385 CG MET A 90 3.643 6.097 -12.896 1.00 0.00 C ATOM 1386 SD MET A 90 4.965 6.689 -13.941 1.00 0.00 S ATOM 1387 CE MET A 90 4.811 5.552 -15.309 1.00 0.00 C ATOM 0 H MET A 90 1.637 5.537 -11.038 1.00 0.00 H new ATOM 0 HA MET A 90 1.805 8.283 -10.936 1.00 0.00 H new ATOM 0 HB2 MET A 90 4.036 7.958 -11.879 1.00 0.00 H new ATOM 0 HB3 MET A 90 3.691 6.618 -10.803 1.00 0.00 H new ATOM 0 HG2 MET A 90 3.895 5.114 -12.498 1.00 0.00 H new ATOM 0 HG3 MET A 90 2.731 5.979 -13.481 1.00 0.00 H new ATOM 0 HE1 MET A 90 5.400 5.914 -16.151 1.00 0.00 H new ATOM 0 HE2 MET A 90 5.174 4.569 -15.008 1.00 0.00 H new ATOM 0 HE3 MET A 90 3.764 5.477 -15.604 1.00 0.00 H new ATOM 1397 N ILE A 91 0.856 7.224 -13.825 1.00 0.00 N ATOM 1398 CA ILE A 91 0.392 7.623 -15.143 1.00 0.00 C ATOM 1399 C ILE A 91 -1.020 8.202 -15.028 1.00 0.00 C ATOM 1400 O ILE A 91 -1.333 9.212 -15.656 1.00 0.00 O ATOM 1401 CB ILE A 91 0.501 6.456 -16.126 1.00 0.00 C ATOM 1402 CG1 ILE A 91 0.804 6.957 -17.540 1.00 0.00 C ATOM 1403 CG2 ILE A 91 -0.755 5.585 -16.083 1.00 0.00 C ATOM 1404 CD1 ILE A 91 2.312 7.086 -17.764 1.00 0.00 C ATOM 0 H ILE A 91 0.634 6.262 -13.569 1.00 0.00 H new ATOM 0 HA ILE A 91 1.027 8.410 -15.549 1.00 0.00 H new ATOM 0 HB ILE A 91 1.338 5.828 -15.821 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.381 6.269 -18.272 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.325 7.923 -17.698 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -0.652 4.763 -16.791 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -0.886 5.184 -15.078 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.624 6.186 -16.350 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.500 7.444 -18.776 1.00 0.00 H new ATOM 0 HD12 ILE A 91 2.727 7.793 -17.046 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.784 6.113 -17.629 1.00 0.00 H new ATOM 1416 N LEU A 92 -1.834 7.536 -14.222 1.00 0.00 N ATOM 1417 CA LEU A 92 -3.205 7.971 -14.018 1.00 0.00 C ATOM 1418 C LEU A 92 -3.208 9.419 -13.523 1.00 0.00 C ATOM 1419 O LEU A 92 -4.146 10.168 -13.790 1.00 0.00 O ATOM 1420 CB LEU A 92 -3.941 7.002 -13.090 1.00 0.00 C ATOM 1421 CG LEU A 92 -5.088 7.599 -12.271 1.00 0.00 C ATOM 1422 CD1 LEU A 92 -6.158 6.546 -11.977 1.00 0.00 C ATOM 1423 CD2 LEU A 92 -4.564 8.256 -10.992 1.00 0.00 C ATOM 0 H LEU A 92 -1.570 6.699 -13.703 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.754 7.955 -14.959 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -4.338 6.184 -13.692 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -3.216 6.568 -12.401 1.00 0.00 H new ATOM 0 HG LEU A 92 -5.561 8.381 -12.865 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -6.961 6.996 -11.394 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -6.561 6.165 -12.915 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -5.716 5.726 -11.412 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -5.399 8.672 -10.428 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -4.051 7.511 -10.384 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.868 9.054 -11.252 1.00 0.00 H new ATOM 1435 N ARG A 93 -2.147 9.769 -12.811 1.00 0.00 N ATOM 1436 CA ARG A 93 -2.015 11.114 -12.276 1.00 0.00 C ATOM 1437 C ARG A 93 -1.206 11.989 -13.235 1.00 0.00 C ATOM 1438 O ARG A 93 -1.631 13.089 -13.586 1.00 0.00 O ATOM 1439 CB ARG A 93 -1.329 11.098 -10.909 1.00 0.00 C ATOM 1440 CG ARG A 93 -2.323 11.429 -9.793 1.00 0.00 C ATOM 1441 CD ARG A 93 -2.393 12.939 -9.552 1.00 0.00 C ATOM 1442 NE ARG A 93 -1.487 13.316 -8.443 1.00 0.00 N ATOM 1443 CZ ARG A 93 -1.026 14.558 -8.240 1.00 0.00 C ATOM 1444 NH1 ARG A 93 -1.381 15.549 -9.069 1.00 0.00 N ATOM 1445 NH2 ARG A 93 -0.208 14.808 -7.208 1.00 0.00 N ATOM 0 H ARG A 93 -1.371 9.145 -12.592 1.00 0.00 H new ATOM 0 HA ARG A 93 -3.018 11.525 -12.161 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -0.889 10.117 -10.730 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -0.512 11.820 -10.899 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -3.311 11.053 -10.058 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -2.025 10.924 -8.874 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -2.113 13.474 -10.459 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -3.416 13.231 -9.313 1.00 0.00 H new ATOM 0 HE ARG A 93 -1.196 12.585 -7.794 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -2.002 15.358 -9.855 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -1.030 16.494 -8.914 1.00 0.00 H new ATOM 0 HH21 ARG A 93 0.063 14.053 -6.578 1.00 0.00 H new ATOM 0 HH22 ARG A 93 0.143 15.753 -7.053 1.00 0.00 H new ATOM 1459 N LEU A 94 -0.054 11.468 -13.632 1.00 0.00 N ATOM 1460 CA LEU A 94 0.819 12.189 -14.543 1.00 0.00 C ATOM 1461 C LEU A 94 0.037 12.558 -15.806 1.00 0.00 C ATOM 1462 O LEU A 94 0.432 13.459 -16.544 1.00 0.00 O ATOM 1463 CB LEU A 94 2.088 11.381 -14.820 1.00 0.00 C ATOM 1464 CG LEU A 94 3.084 12.011 -15.797 1.00 0.00 C ATOM 1465 CD1 LEU A 94 4.177 12.776 -15.048 1.00 0.00 C ATOM 1466 CD2 LEU A 94 3.667 10.957 -16.741 1.00 0.00 C ATOM 0 H LEU A 94 0.295 10.555 -13.339 1.00 0.00 H new ATOM 0 HA LEU A 94 1.155 13.122 -14.091 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.599 11.208 -13.873 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.796 10.405 -15.208 1.00 0.00 H new ATOM 0 HG LEU A 94 2.548 12.734 -16.412 1.00 0.00 H new ATOM 0 HD11 LEU A 94 4.871 13.214 -15.765 1.00 0.00 H new ATOM 0 HD12 LEU A 94 3.724 13.568 -14.452 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.716 12.092 -14.392 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.371 11.431 -17.425 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.183 10.193 -16.159 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.862 10.495 -17.312 1.00 0.00 H new ATOM 1478 N VAL A 95 -1.058 11.842 -16.016 1.00 0.00 N ATOM 1479 CA VAL A 95 -1.898 12.083 -17.177 1.00 0.00 C ATOM 1480 C VAL A 95 -2.660 13.395 -16.985 1.00 0.00 C ATOM 1481 O VAL A 95 -2.304 14.415 -17.573 1.00 0.00 O ATOM 1482 CB VAL A 95 -2.820 10.885 -17.413 1.00 0.00 C ATOM 1483 CG1 VAL A 95 -4.058 11.295 -18.212 1.00 0.00 C ATOM 1484 CG2 VAL A 95 -2.072 9.745 -18.107 1.00 0.00 C ATOM 0 H VAL A 95 -1.383 11.095 -15.402 1.00 0.00 H new ATOM 0 HA VAL A 95 -1.289 12.189 -18.075 1.00 0.00 H new ATOM 0 HB VAL A 95 -3.154 10.523 -16.441 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -4.696 10.425 -18.366 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.610 12.057 -17.662 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.751 11.695 -19.178 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.751 8.906 -18.263 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.695 10.090 -19.070 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.237 9.425 -17.484 1.00 0.00 H new ATOM 1494 N LEU A 96 -3.695 13.327 -16.161 1.00 0.00 N ATOM 1495 CA LEU A 96 -4.511 14.497 -15.885 1.00 0.00 C ATOM 1496 C LEU A 96 -3.605 15.722 -15.739 1.00 0.00 C ATOM 1497 O LEU A 96 -3.999 16.834 -16.087 1.00 0.00 O ATOM 1498 CB LEU A 96 -5.410 14.250 -14.672 1.00 0.00 C ATOM 1499 CG LEU A 96 -4.792 14.555 -13.306 1.00 0.00 C ATOM 1500 CD1 LEU A 96 -5.594 15.629 -12.569 1.00 0.00 C ATOM 1501 CD2 LEU A 96 -4.643 13.280 -12.474 1.00 0.00 C ATOM 0 H LEU A 96 -3.987 12.479 -15.675 1.00 0.00 H new ATOM 0 HA LEU A 96 -5.186 14.695 -16.718 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -6.311 14.853 -14.784 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -5.722 13.206 -14.683 1.00 0.00 H new ATOM 0 HG LEU A 96 -3.790 14.954 -13.466 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -5.133 15.827 -11.601 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -5.605 16.545 -13.160 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -6.616 15.282 -12.420 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -4.201 13.525 -11.508 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -5.623 12.829 -12.321 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -3.998 12.576 -13.000 1.00 0.00 H new