USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 441 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 86:sc= 0.416 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 -137:sc=-0.00298 USER MOD Single : A 59 THR OG1 : rot 107:sc= 1.05 USER MOD Single : A 65 THR OG1 : rot 86:sc= 0.114 USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl 152:sc= -0.933 (180deg=-3.69!) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 102 N TYR A 8 -30.449 -21.966 -10.071 1.00 0.00 N ATOM 103 CA TYR A 8 -29.252 -22.324 -9.330 1.00 0.00 C ATOM 104 C TYR A 8 -28.121 -22.730 -10.277 1.00 0.00 C ATOM 105 O TYR A 8 -26.994 -22.255 -10.143 1.00 0.00 O ATOM 106 CB TYR A 8 -29.635 -23.527 -8.466 1.00 0.00 C ATOM 107 CG TYR A 8 -28.721 -23.742 -7.258 1.00 0.00 C ATOM 108 CD1 TYR A 8 -27.530 -24.423 -7.405 1.00 0.00 C ATOM 109 CD2 TYR A 8 -29.089 -23.254 -6.020 1.00 0.00 C ATOM 110 CE1 TYR A 8 -26.671 -24.625 -6.268 1.00 0.00 C ATOM 111 CE2 TYR A 8 -28.229 -23.455 -4.882 1.00 0.00 C ATOM 112 CZ TYR A 8 -27.063 -24.131 -5.062 1.00 0.00 C ATOM 113 OH TYR A 8 -26.251 -24.322 -3.988 1.00 0.00 O ATOM 0 HA TYR A 8 -28.900 -21.479 -8.738 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -30.659 -23.398 -8.115 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -29.620 -24.425 -9.084 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -27.242 -24.805 -8.374 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -30.022 -22.722 -5.905 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -25.736 -25.157 -6.370 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -28.504 -23.077 -3.908 1.00 0.00 H new ATOM 0 HH TYR A 8 -26.657 -23.915 -3.194 1.00 0.00 H new ATOM 123 N ALA A 9 -28.461 -23.603 -11.213 1.00 0.00 N ATOM 124 CA ALA A 9 -27.488 -24.079 -12.182 1.00 0.00 C ATOM 125 C ALA A 9 -27.092 -22.926 -13.108 1.00 0.00 C ATOM 126 O ALA A 9 -25.985 -22.908 -13.643 1.00 0.00 O ATOM 127 CB ALA A 9 -28.070 -25.268 -12.948 1.00 0.00 C ATOM 0 H ALA A 9 -29.397 -23.994 -11.321 1.00 0.00 H new ATOM 0 HA ALA A 9 -26.584 -24.425 -11.681 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -27.340 -25.625 -13.675 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -28.308 -26.070 -12.249 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -28.977 -24.958 -13.467 1.00 0.00 H new ATOM 133 N ALA A 10 -28.019 -21.993 -13.267 1.00 0.00 N ATOM 134 CA ALA A 10 -27.780 -20.840 -14.119 1.00 0.00 C ATOM 135 C ALA A 10 -26.661 -19.989 -13.516 1.00 0.00 C ATOM 136 O ALA A 10 -25.594 -19.847 -14.111 1.00 0.00 O ATOM 137 CB ALA A 10 -29.082 -20.054 -14.292 1.00 0.00 C ATOM 0 H ALA A 10 -28.936 -22.012 -12.821 1.00 0.00 H new ATOM 0 HA ALA A 10 -27.456 -21.156 -15.111 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -28.903 -19.189 -14.931 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -29.835 -20.694 -14.751 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -29.436 -19.718 -13.318 1.00 0.00 H new ATOM 143 N LEU A 11 -26.943 -19.444 -12.341 1.00 0.00 N ATOM 144 CA LEU A 11 -25.974 -18.610 -11.651 1.00 0.00 C ATOM 145 C LEU A 11 -24.668 -19.389 -11.479 1.00 0.00 C ATOM 146 O LEU A 11 -23.583 -18.830 -11.632 1.00 0.00 O ATOM 147 CB LEU A 11 -26.556 -18.088 -10.336 1.00 0.00 C ATOM 148 CG LEU A 11 -26.685 -19.112 -9.206 1.00 0.00 C ATOM 149 CD1 LEU A 11 -25.435 -19.117 -8.325 1.00 0.00 C ATOM 150 CD2 LEU A 11 -27.959 -18.874 -8.393 1.00 0.00 C ATOM 0 H LEU A 11 -27.829 -19.564 -11.850 1.00 0.00 H new ATOM 0 HA LEU A 11 -25.743 -17.725 -12.244 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -25.931 -17.267 -9.986 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -27.543 -17.673 -10.538 1.00 0.00 H new ATOM 0 HG LEU A 11 -26.768 -20.103 -9.651 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -25.553 -19.853 -7.530 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -24.565 -19.372 -8.930 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -25.295 -18.129 -7.886 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -28.026 -19.615 -7.597 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -27.931 -17.875 -7.958 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -28.828 -18.962 -9.045 1.00 0.00 H new ATOM 162 N VAL A 12 -24.816 -20.668 -11.164 1.00 0.00 N ATOM 163 CA VAL A 12 -23.662 -21.529 -10.970 1.00 0.00 C ATOM 164 C VAL A 12 -22.780 -21.481 -12.219 1.00 0.00 C ATOM 165 O VAL A 12 -21.569 -21.288 -12.120 1.00 0.00 O ATOM 166 CB VAL A 12 -24.120 -22.945 -10.615 1.00 0.00 C ATOM 167 CG1 VAL A 12 -23.047 -23.975 -10.974 1.00 0.00 C ATOM 168 CG2 VAL A 12 -24.501 -23.044 -9.136 1.00 0.00 C ATOM 0 H VAL A 12 -25.718 -21.128 -11.038 1.00 0.00 H new ATOM 0 HA VAL A 12 -23.059 -21.177 -10.133 1.00 0.00 H new ATOM 0 HB VAL A 12 -25.009 -23.167 -11.206 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -23.398 -24.973 -10.711 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -22.845 -23.932 -12.044 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -22.133 -23.755 -10.423 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -24.823 -24.061 -8.910 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -23.638 -22.792 -8.520 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -25.314 -22.350 -8.923 1.00 0.00 H new ATOM 178 N THR A 13 -23.421 -21.661 -13.364 1.00 0.00 N ATOM 179 CA THR A 13 -22.709 -21.641 -14.631 1.00 0.00 C ATOM 180 C THR A 13 -22.064 -20.272 -14.859 1.00 0.00 C ATOM 181 O THR A 13 -20.967 -20.183 -15.406 1.00 0.00 O ATOM 182 CB THR A 13 -23.693 -22.040 -15.732 1.00 0.00 C ATOM 183 OG1 THR A 13 -23.846 -23.447 -15.569 1.00 0.00 O ATOM 184 CG2 THR A 13 -23.096 -21.890 -17.133 1.00 0.00 C ATOM 0 H THR A 13 -24.425 -21.821 -13.441 1.00 0.00 H new ATOM 0 HA THR A 13 -21.887 -22.357 -14.634 1.00 0.00 H new ATOM 0 HB THR A 13 -24.592 -21.429 -15.653 1.00 0.00 H new ATOM 0 HG1 THR A 13 -24.547 -23.625 -14.908 1.00 0.00 H new ATOM 0 HG21 THR A 13 -23.835 -22.186 -17.877 1.00 0.00 H new ATOM 0 HG22 THR A 13 -22.811 -20.851 -17.298 1.00 0.00 H new ATOM 0 HG23 THR A 13 -22.215 -22.526 -17.223 1.00 0.00 H new ATOM 192 N PHE A 14 -22.774 -19.240 -14.427 1.00 0.00 N ATOM 193 CA PHE A 14 -22.284 -17.880 -14.576 1.00 0.00 C ATOM 194 C PHE A 14 -20.985 -17.676 -13.795 1.00 0.00 C ATOM 195 O PHE A 14 -19.967 -17.288 -14.366 1.00 0.00 O ATOM 196 CB PHE A 14 -23.360 -16.953 -14.007 1.00 0.00 C ATOM 197 CG PHE A 14 -23.163 -15.478 -14.365 1.00 0.00 C ATOM 198 CD1 PHE A 14 -23.309 -15.066 -15.652 1.00 0.00 C ATOM 199 CD2 PHE A 14 -22.841 -14.580 -13.395 1.00 0.00 C ATOM 200 CE1 PHE A 14 -23.126 -13.697 -15.985 1.00 0.00 C ATOM 201 CE2 PHE A 14 -22.658 -13.212 -13.728 1.00 0.00 C ATOM 202 CZ PHE A 14 -22.805 -12.799 -15.015 1.00 0.00 C ATOM 0 H PHE A 14 -23.684 -19.318 -13.974 1.00 0.00 H new ATOM 0 HA PHE A 14 -22.080 -17.670 -15.626 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -24.335 -17.278 -14.371 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -23.375 -17.054 -12.922 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -23.564 -15.779 -16.422 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -22.725 -14.908 -12.372 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -23.242 -13.370 -17.008 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -22.402 -12.499 -12.958 1.00 0.00 H new ATOM 0 HZ PHE A 14 -22.667 -11.758 -15.267 1.00 0.00 H new ATOM 212 N GLY A 15 -21.062 -17.946 -12.500 1.00 0.00 N ATOM 213 CA GLY A 15 -19.905 -17.797 -11.635 1.00 0.00 C ATOM 214 C GLY A 15 -18.780 -18.745 -12.054 1.00 0.00 C ATOM 215 O GLY A 15 -17.605 -18.459 -11.828 1.00 0.00 O ATOM 0 H GLY A 15 -21.908 -18.267 -12.029 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -19.550 -16.767 -11.671 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -20.190 -17.999 -10.603 1.00 0.00 H new ATOM 219 N SER A 16 -19.179 -19.855 -12.659 1.00 0.00 N ATOM 220 CA SER A 16 -18.219 -20.847 -13.112 1.00 0.00 C ATOM 221 C SER A 16 -17.369 -20.272 -14.247 1.00 0.00 C ATOM 222 O SER A 16 -16.143 -20.369 -14.220 1.00 0.00 O ATOM 223 CB SER A 16 -18.924 -22.125 -13.572 1.00 0.00 C ATOM 224 OG SER A 16 -18.529 -23.258 -12.803 1.00 0.00 O ATOM 0 H SER A 16 -20.154 -20.089 -12.846 1.00 0.00 H new ATOM 0 HA SER A 16 -17.570 -21.103 -12.274 1.00 0.00 H new ATOM 0 HB2 SER A 16 -20.003 -21.992 -13.494 1.00 0.00 H new ATOM 0 HB3 SER A 16 -18.700 -22.304 -14.624 1.00 0.00 H new ATOM 0 HG SER A 16 -19.002 -24.053 -13.126 1.00 0.00 H new ATOM 230 N ILE A 17 -18.054 -19.686 -15.218 1.00 0.00 N ATOM 231 CA ILE A 17 -17.377 -19.096 -16.360 1.00 0.00 C ATOM 232 C ILE A 17 -16.599 -17.861 -15.904 1.00 0.00 C ATOM 233 O ILE A 17 -15.369 -17.850 -15.938 1.00 0.00 O ATOM 234 CB ILE A 17 -18.374 -18.813 -17.486 1.00 0.00 C ATOM 235 CG1 ILE A 17 -18.933 -20.115 -18.063 1.00 0.00 C ATOM 236 CG2 ILE A 17 -17.745 -17.931 -18.567 1.00 0.00 C ATOM 237 CD1 ILE A 17 -20.147 -19.843 -18.955 1.00 0.00 C ATOM 0 H ILE A 17 -19.071 -19.607 -15.237 1.00 0.00 H new ATOM 0 HA ILE A 17 -16.651 -19.795 -16.775 1.00 0.00 H new ATOM 0 HB ILE A 17 -19.214 -18.259 -17.067 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -18.160 -20.623 -18.640 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -19.217 -20.785 -17.251 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -18.475 -17.745 -19.355 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -17.435 -16.982 -18.128 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -16.876 -18.436 -18.989 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -20.525 -20.785 -19.352 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -20.927 -19.357 -18.369 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -19.854 -19.193 -19.779 1.00 0.00 H new ATOM 249 N PHE A 18 -17.346 -16.850 -15.487 1.00 0.00 N ATOM 250 CA PHE A 18 -16.741 -15.612 -15.024 1.00 0.00 C ATOM 251 C PHE A 18 -15.499 -15.893 -14.176 1.00 0.00 C ATOM 252 O PHE A 18 -14.436 -15.325 -14.420 1.00 0.00 O ATOM 253 CB PHE A 18 -17.784 -14.901 -14.159 1.00 0.00 C ATOM 254 CG PHE A 18 -18.105 -13.477 -14.617 1.00 0.00 C ATOM 255 CD1 PHE A 18 -18.935 -13.274 -15.676 1.00 0.00 C ATOM 256 CD2 PHE A 18 -17.562 -12.414 -13.966 1.00 0.00 C ATOM 257 CE1 PHE A 18 -19.233 -11.953 -16.101 1.00 0.00 C ATOM 258 CE2 PHE A 18 -17.860 -11.092 -14.391 1.00 0.00 C ATOM 259 CZ PHE A 18 -18.690 -10.890 -15.450 1.00 0.00 C ATOM 0 H PHE A 18 -18.366 -16.862 -15.460 1.00 0.00 H new ATOM 0 HA PHE A 18 -16.437 -15.005 -15.876 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -18.703 -15.488 -14.159 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -17.427 -14.869 -13.130 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -19.367 -14.118 -16.193 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -16.904 -12.575 -13.125 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -19.891 -11.792 -16.942 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -17.428 -10.248 -13.874 1.00 0.00 H new ATOM 0 HZ PHE A 18 -18.918 -9.885 -15.774 1.00 0.00 H new ATOM 441 N ILE A 30 -6.855 -6.845 -8.282 1.00 0.00 N ATOM 442 CA ILE A 30 -7.127 -6.335 -6.949 1.00 0.00 C ATOM 443 C ILE A 30 -5.860 -5.687 -6.387 1.00 0.00 C ATOM 444 O ILE A 30 -5.927 -4.644 -5.738 1.00 0.00 O ATOM 445 CB ILE A 30 -7.699 -7.440 -6.059 1.00 0.00 C ATOM 446 CG1 ILE A 30 -7.645 -7.039 -4.584 1.00 0.00 C ATOM 447 CG2 ILE A 30 -6.993 -8.773 -6.317 1.00 0.00 C ATOM 448 CD1 ILE A 30 -8.446 -5.760 -4.334 1.00 0.00 C ATOM 0 HA ILE A 30 -7.892 -5.560 -6.987 1.00 0.00 H new ATOM 0 HB ILE A 30 -8.749 -7.577 -6.317 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -8.042 -7.847 -3.969 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -6.609 -6.888 -4.282 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -7.419 -9.541 -5.671 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -7.127 -9.060 -7.360 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.929 -8.669 -6.104 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -8.391 -5.497 -3.278 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -8.032 -4.948 -4.932 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -9.487 -5.922 -4.614 1.00 0.00 H new ATOM 460 N ALA A 31 -4.734 -6.333 -6.656 1.00 0.00 N ATOM 461 CA ALA A 31 -3.454 -5.833 -6.185 1.00 0.00 C ATOM 462 C ALA A 31 -3.244 -4.410 -6.708 1.00 0.00 C ATOM 463 O ALA A 31 -2.939 -3.501 -5.937 1.00 0.00 O ATOM 464 CB ALA A 31 -2.341 -6.785 -6.625 1.00 0.00 C ATOM 0 H ALA A 31 -4.682 -7.198 -7.194 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.436 -5.791 -5.096 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -1.381 -6.410 -6.272 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.521 -7.774 -6.205 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.327 -6.850 -7.713 1.00 0.00 H new ATOM 470 N GLY A 32 -3.415 -4.261 -8.013 1.00 0.00 N ATOM 471 CA GLY A 32 -3.247 -2.965 -8.647 1.00 0.00 C ATOM 472 C GLY A 32 -4.250 -1.951 -8.094 1.00 0.00 C ATOM 473 O GLY A 32 -3.860 -0.913 -7.560 1.00 0.00 O ATOM 0 H GLY A 32 -3.668 -5.017 -8.649 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.232 -2.604 -8.483 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.380 -3.063 -9.724 1.00 0.00 H new ATOM 477 N LEU A 33 -5.524 -2.286 -8.240 1.00 0.00 N ATOM 478 CA LEU A 33 -6.586 -1.417 -7.761 1.00 0.00 C ATOM 479 C LEU A 33 -6.244 -0.929 -6.352 1.00 0.00 C ATOM 480 O LEU A 33 -6.369 0.258 -6.055 1.00 0.00 O ATOM 481 CB LEU A 33 -7.939 -2.124 -7.855 1.00 0.00 C ATOM 482 CG LEU A 33 -9.066 -1.532 -7.006 1.00 0.00 C ATOM 483 CD1 LEU A 33 -10.119 -0.857 -7.886 1.00 0.00 C ATOM 484 CD2 LEU A 33 -9.679 -2.593 -6.090 1.00 0.00 C ATOM 0 H LEU A 33 -5.845 -3.147 -8.683 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.669 -0.533 -8.393 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.256 -2.121 -8.898 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.803 -3.166 -7.566 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.640 -0.761 -6.364 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.908 -0.445 -7.258 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.654 -0.054 -8.458 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.546 -1.590 -8.570 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.477 -2.145 -5.498 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.086 -3.404 -6.694 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.911 -2.987 -5.424 1.00 0.00 H new ATOM 496 N PHE A 34 -5.818 -1.870 -5.521 1.00 0.00 N ATOM 497 CA PHE A 34 -5.457 -1.550 -4.151 1.00 0.00 C ATOM 498 C PHE A 34 -4.377 -0.468 -4.107 1.00 0.00 C ATOM 499 O PHE A 34 -4.580 0.594 -3.520 1.00 0.00 O ATOM 500 CB PHE A 34 -4.905 -2.831 -3.523 1.00 0.00 C ATOM 501 CG PHE A 34 -4.803 -2.784 -1.998 1.00 0.00 C ATOM 502 CD1 PHE A 34 -5.931 -2.823 -1.239 1.00 0.00 C ATOM 503 CD2 PHE A 34 -3.584 -2.702 -1.400 1.00 0.00 C ATOM 504 CE1 PHE A 34 -5.836 -2.778 0.177 1.00 0.00 C ATOM 505 CE2 PHE A 34 -3.489 -2.658 0.017 1.00 0.00 C ATOM 506 CZ PHE A 34 -4.617 -2.697 0.775 1.00 0.00 C ATOM 0 H PHE A 34 -5.715 -2.854 -5.771 1.00 0.00 H new ATOM 0 HA PHE A 34 -6.329 -1.177 -3.614 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -5.543 -3.667 -3.808 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.916 -3.029 -3.937 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -6.899 -2.888 -1.713 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -2.688 -2.670 -2.002 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -6.732 -2.808 0.779 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -2.521 -2.594 0.492 1.00 0.00 H new ATOM 0 HZ PHE A 34 -4.545 -2.664 1.852 1.00 0.00 H new ATOM 516 N VAL A 35 -3.251 -0.774 -4.735 1.00 0.00 N ATOM 517 CA VAL A 35 -2.138 0.159 -4.774 1.00 0.00 C ATOM 518 C VAL A 35 -2.658 1.551 -5.139 1.00 0.00 C ATOM 519 O VAL A 35 -2.183 2.554 -4.608 1.00 0.00 O ATOM 520 CB VAL A 35 -1.063 -0.349 -5.738 1.00 0.00 C ATOM 521 CG1 VAL A 35 0.030 0.702 -5.943 1.00 0.00 C ATOM 522 CG2 VAL A 35 -0.469 -1.671 -5.249 1.00 0.00 C ATOM 0 H VAL A 35 -3.086 -1.655 -5.221 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.668 0.234 -3.794 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.537 -0.532 -6.703 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.781 0.316 -6.632 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.410 1.609 -6.357 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.499 0.931 -4.986 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.292 -2.010 -5.952 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.018 -1.526 -4.267 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.257 -2.420 -5.179 1.00 0.00 H new ATOM 532 N GLY A 36 -3.627 1.568 -6.042 1.00 0.00 N ATOM 533 CA GLY A 36 -4.217 2.820 -6.484 1.00 0.00 C ATOM 534 C GLY A 36 -5.126 3.409 -5.403 1.00 0.00 C ATOM 535 O GLY A 36 -5.211 4.627 -5.255 1.00 0.00 O ATOM 0 H GLY A 36 -4.019 0.734 -6.480 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.428 3.532 -6.729 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.791 2.654 -7.396 1.00 0.00 H new ATOM 539 N CYS A 37 -5.782 2.517 -4.676 1.00 0.00 N ATOM 540 CA CYS A 37 -6.682 2.933 -3.614 1.00 0.00 C ATOM 541 C CYS A 37 -5.869 3.700 -2.569 1.00 0.00 C ATOM 542 O CYS A 37 -6.328 4.712 -2.041 1.00 0.00 O ATOM 543 CB CYS A 37 -7.421 1.743 -3.000 1.00 0.00 C ATOM 544 SG CYS A 37 -9.213 2.102 -2.901 1.00 0.00 S ATOM 0 H CYS A 37 -5.708 1.507 -4.801 1.00 0.00 H new ATOM 0 HA CYS A 37 -7.454 3.584 -4.023 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -7.253 0.850 -3.602 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -7.028 1.534 -2.005 1.00 0.00 H new ATOM 0 HG CYS A 37 -9.831 1.084 -2.380 1.00 0.00 H new ATOM 550 N LEU A 38 -4.676 3.190 -2.302 1.00 0.00 N ATOM 551 CA LEU A 38 -3.795 3.814 -1.330 1.00 0.00 C ATOM 552 C LEU A 38 -3.250 5.122 -1.908 1.00 0.00 C ATOM 553 O LEU A 38 -3.222 6.143 -1.224 1.00 0.00 O ATOM 554 CB LEU A 38 -2.705 2.836 -0.888 1.00 0.00 C ATOM 555 CG LEU A 38 -3.066 1.351 -0.964 1.00 0.00 C ATOM 556 CD1 LEU A 38 -2.034 0.497 -0.224 1.00 0.00 C ATOM 557 CD2 LEU A 38 -4.486 1.105 -0.451 1.00 0.00 C ATOM 0 H LEU A 38 -4.299 2.351 -2.742 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.347 4.070 -0.425 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.821 3.007 -1.502 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.429 3.070 0.140 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.044 1.048 -2.011 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.314 -0.554 -0.293 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.052 0.641 -0.675 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.000 0.795 0.824 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.717 0.042 -0.516 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.559 1.430 0.587 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.195 1.668 -1.058 1.00 0.00 H new ATOM 569 N ALA A 39 -2.831 5.047 -3.163 1.00 0.00 N ATOM 570 CA ALA A 39 -2.288 6.212 -3.841 1.00 0.00 C ATOM 571 C ALA A 39 -3.295 7.361 -3.758 1.00 0.00 C ATOM 572 O ALA A 39 -2.922 8.500 -3.483 1.00 0.00 O ATOM 573 CB ALA A 39 -1.939 5.846 -5.285 1.00 0.00 C ATOM 0 H ALA A 39 -2.857 4.198 -3.728 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.369 6.544 -3.357 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -1.532 6.720 -5.794 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.199 5.046 -5.289 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.838 5.511 -5.803 1.00 0.00 H new ATOM 579 N GLY A 40 -4.553 7.021 -4.000 1.00 0.00 N ATOM 580 CA GLY A 40 -5.617 8.010 -3.956 1.00 0.00 C ATOM 581 C GLY A 40 -5.899 8.447 -2.517 1.00 0.00 C ATOM 582 O GLY A 40 -5.696 9.609 -2.166 1.00 0.00 O ATOM 0 H GLY A 40 -4.859 6.075 -4.227 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.338 8.877 -4.555 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.523 7.595 -4.398 1.00 0.00 H new ATOM 768 N ASP A 52 4.495 11.432 -5.886 1.00 0.00 N ATOM 769 CA ASP A 52 3.455 11.121 -6.851 1.00 0.00 C ATOM 770 C ASP A 52 3.557 9.646 -7.247 1.00 0.00 C ATOM 771 O ASP A 52 2.681 8.849 -6.915 1.00 0.00 O ATOM 772 CB ASP A 52 3.610 11.963 -8.119 1.00 0.00 C ATOM 773 CG ASP A 52 3.099 13.400 -8.008 1.00 0.00 C ATOM 774 OD1 ASP A 52 1.890 13.640 -7.875 1.00 0.00 O ATOM 775 OD2 ASP A 52 4.013 14.309 -8.062 1.00 0.00 O ATOM 0 HA ASP A 52 2.492 11.338 -6.390 1.00 0.00 H new ATOM 0 HB2 ASP A 52 4.665 11.989 -8.393 1.00 0.00 H new ATOM 0 HB3 ASP A 52 3.081 11.467 -8.933 1.00 0.00 H new ATOM 780 N VAL A 53 4.633 9.329 -7.951 1.00 0.00 N ATOM 781 CA VAL A 53 4.861 7.964 -8.395 1.00 0.00 C ATOM 782 C VAL A 53 5.786 7.257 -7.402 1.00 0.00 C ATOM 783 O VAL A 53 5.950 6.039 -7.461 1.00 0.00 O ATOM 784 CB VAL A 53 5.407 7.964 -9.825 1.00 0.00 C ATOM 785 CG1 VAL A 53 5.788 6.549 -10.266 1.00 0.00 C ATOM 786 CG2 VAL A 53 4.402 8.589 -10.795 1.00 0.00 C ATOM 0 H VAL A 53 5.357 9.993 -8.225 1.00 0.00 H new ATOM 0 HA VAL A 53 3.924 7.408 -8.419 1.00 0.00 H new ATOM 0 HB VAL A 53 6.310 8.574 -9.839 1.00 0.00 H new ATOM 0 HG11 VAL A 53 6.173 6.577 -11.285 1.00 0.00 H new ATOM 0 HG12 VAL A 53 6.555 6.154 -9.599 1.00 0.00 H new ATOM 0 HG13 VAL A 53 4.908 5.907 -10.228 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.814 8.577 -11.804 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.474 8.018 -10.775 1.00 0.00 H new ATOM 0 HG23 VAL A 53 4.201 9.618 -10.498 1.00 0.00 H new ATOM 796 N LYS A 54 6.366 8.050 -6.514 1.00 0.00 N ATOM 797 CA LYS A 54 7.269 7.515 -5.510 1.00 0.00 C ATOM 798 C LYS A 54 6.492 6.591 -4.571 1.00 0.00 C ATOM 799 O LYS A 54 7.018 5.576 -4.117 1.00 0.00 O ATOM 800 CB LYS A 54 8.001 8.649 -4.789 1.00 0.00 C ATOM 801 CG LYS A 54 9.509 8.389 -4.747 1.00 0.00 C ATOM 802 CD LYS A 54 10.260 9.604 -4.198 1.00 0.00 C ATOM 803 CE LYS A 54 11.238 9.191 -3.096 1.00 0.00 C ATOM 804 NZ LYS A 54 12.245 10.253 -2.874 1.00 0.00 N ATOM 0 H LYS A 54 6.228 9.060 -6.469 1.00 0.00 H new ATOM 0 HA LYS A 54 8.046 6.912 -5.980 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.805 9.594 -5.296 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.617 8.747 -3.774 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.714 7.518 -4.124 1.00 0.00 H new ATOM 0 HG3 LYS A 54 9.870 8.156 -5.749 1.00 0.00 H new ATOM 0 HD2 LYS A 54 10.803 10.096 -5.005 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.548 10.329 -3.804 1.00 0.00 H new ATOM 0 HE2 LYS A 54 10.694 8.998 -2.172 1.00 0.00 H new ATOM 0 HE3 LYS A 54 11.736 8.261 -3.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 12.901 9.958 -2.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 12.776 10.417 -3.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 11.766 11.131 -2.589 1.00 0.00 H new ATOM 818 N VAL A 55 5.251 6.975 -4.308 1.00 0.00 N ATOM 819 CA VAL A 55 4.396 6.193 -3.431 1.00 0.00 C ATOM 820 C VAL A 55 3.951 4.923 -4.159 1.00 0.00 C ATOM 821 O VAL A 55 3.863 3.855 -3.555 1.00 0.00 O ATOM 822 CB VAL A 55 3.222 7.047 -2.947 1.00 0.00 C ATOM 823 CG1 VAL A 55 2.290 7.405 -4.107 1.00 0.00 C ATOM 824 CG2 VAL A 55 2.456 6.342 -1.826 1.00 0.00 C ATOM 0 H VAL A 55 4.818 7.817 -4.687 1.00 0.00 H new ATOM 0 HA VAL A 55 4.944 5.883 -2.541 1.00 0.00 H new ATOM 0 HB VAL A 55 3.627 7.975 -2.543 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.464 8.012 -3.736 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.844 7.967 -4.859 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.897 6.491 -4.553 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.627 6.971 -1.501 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.068 5.391 -2.192 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.126 6.161 -0.985 1.00 0.00 H new ATOM 834 N SER A 56 3.683 5.081 -5.447 1.00 0.00 N ATOM 835 CA SER A 56 3.250 3.960 -6.264 1.00 0.00 C ATOM 836 C SER A 56 4.297 2.845 -6.220 1.00 0.00 C ATOM 837 O SER A 56 4.002 1.728 -5.797 1.00 0.00 O ATOM 838 CB SER A 56 2.999 4.396 -7.709 1.00 0.00 C ATOM 839 OG SER A 56 2.158 3.480 -8.404 1.00 0.00 O ATOM 0 H SER A 56 3.757 5.968 -5.945 1.00 0.00 H new ATOM 0 HA SER A 56 2.311 3.584 -5.858 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.541 5.385 -7.715 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.951 4.483 -8.232 1.00 0.00 H new ATOM 0 HG SER A 56 2.517 3.324 -9.302 1.00 0.00 H new ATOM 845 N LEU A 57 5.498 3.187 -6.663 1.00 0.00 N ATOM 846 CA LEU A 57 6.590 2.228 -6.679 1.00 0.00 C ATOM 847 C LEU A 57 6.886 1.774 -5.249 1.00 0.00 C ATOM 848 O LEU A 57 6.753 0.594 -4.928 1.00 0.00 O ATOM 849 CB LEU A 57 7.805 2.813 -7.403 1.00 0.00 C ATOM 850 CG LEU A 57 9.090 1.986 -7.331 1.00 0.00 C ATOM 851 CD1 LEU A 57 9.818 1.985 -8.676 1.00 0.00 C ATOM 852 CD2 LEU A 57 9.991 2.471 -6.193 1.00 0.00 C ATOM 0 H LEU A 57 5.739 4.114 -7.013 1.00 0.00 H new ATOM 0 HA LEU A 57 6.308 1.339 -7.243 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.545 2.954 -8.452 1.00 0.00 H new ATOM 0 HB3 LEU A 57 8.008 3.801 -6.990 1.00 0.00 H new ATOM 0 HG LEU A 57 8.819 0.953 -7.111 1.00 0.00 H new ATOM 0 HD11 LEU A 57 10.728 1.390 -8.597 1.00 0.00 H new ATOM 0 HD12 LEU A 57 9.170 1.557 -9.440 1.00 0.00 H new ATOM 0 HD13 LEU A 57 10.076 3.008 -8.951 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.898 1.866 -6.164 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.256 3.515 -6.359 1.00 0.00 H new ATOM 0 HD23 LEU A 57 9.462 2.377 -5.245 1.00 0.00 H new ATOM 864 N PHE A 58 7.281 2.735 -4.427 1.00 0.00 N ATOM 865 CA PHE A 58 7.597 2.449 -3.038 1.00 0.00 C ATOM 866 C PHE A 58 6.562 1.506 -2.423 1.00 0.00 C ATOM 867 O PHE A 58 6.899 0.664 -1.592 1.00 0.00 O ATOM 868 CB PHE A 58 7.564 3.782 -2.287 1.00 0.00 C ATOM 869 CG PHE A 58 7.845 3.660 -0.788 1.00 0.00 C ATOM 870 CD1 PHE A 58 6.828 3.399 0.075 1.00 0.00 C ATOM 871 CD2 PHE A 58 9.113 3.812 -0.320 1.00 0.00 C ATOM 872 CE1 PHE A 58 7.089 3.285 1.467 1.00 0.00 C ATOM 873 CE2 PHE A 58 9.374 3.698 1.072 1.00 0.00 C ATOM 874 CZ PHE A 58 8.356 3.437 1.935 1.00 0.00 C ATOM 0 H PHE A 58 7.389 3.713 -4.696 1.00 0.00 H new ATOM 0 HA PHE A 58 8.573 1.968 -2.971 1.00 0.00 H new ATOM 0 HB2 PHE A 58 8.298 4.455 -2.730 1.00 0.00 H new ATOM 0 HB3 PHE A 58 6.585 4.241 -2.426 1.00 0.00 H new ATOM 0 HD1 PHE A 58 5.821 3.278 -0.297 1.00 0.00 H new ATOM 0 HD2 PHE A 58 9.921 4.019 -1.006 1.00 0.00 H new ATOM 0 HE1 PHE A 58 6.281 3.078 2.153 1.00 0.00 H new ATOM 0 HE2 PHE A 58 10.381 3.819 1.445 1.00 0.00 H new ATOM 0 HZ PHE A 58 8.554 3.350 2.993 1.00 0.00 H new ATOM 884 N THR A 59 5.321 1.678 -2.855 1.00 0.00 N ATOM 885 CA THR A 59 4.234 0.852 -2.358 1.00 0.00 C ATOM 886 C THR A 59 4.383 -0.585 -2.860 1.00 0.00 C ATOM 887 O THR A 59 4.442 -1.522 -2.064 1.00 0.00 O ATOM 888 CB THR A 59 2.915 1.507 -2.773 1.00 0.00 C ATOM 889 OG1 THR A 59 2.753 2.578 -1.848 1.00 0.00 O ATOM 890 CG2 THR A 59 1.706 0.605 -2.514 1.00 0.00 C ATOM 0 H THR A 59 5.044 2.377 -3.544 1.00 0.00 H new ATOM 0 HA THR A 59 4.253 0.786 -1.270 1.00 0.00 H new ATOM 0 HB THR A 59 2.955 1.765 -3.831 1.00 0.00 H new ATOM 0 HG1 THR A 59 2.925 3.430 -2.301 1.00 0.00 H new ATOM 0 HG21 THR A 59 0.796 1.118 -2.826 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.814 -0.320 -3.081 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.646 0.374 -1.450 1.00 0.00 H new ATOM 898 N ALA A 60 4.440 -0.715 -4.177 1.00 0.00 N ATOM 899 CA ALA A 60 4.581 -2.023 -4.795 1.00 0.00 C ATOM 900 C ALA A 60 5.773 -2.751 -4.171 1.00 0.00 C ATOM 901 O ALA A 60 5.702 -3.949 -3.901 1.00 0.00 O ATOM 902 CB ALA A 60 4.725 -1.859 -6.309 1.00 0.00 C ATOM 0 H ALA A 60 4.391 0.064 -4.834 1.00 0.00 H new ATOM 0 HA ALA A 60 3.694 -2.630 -4.616 1.00 0.00 H new ATOM 0 HB1 ALA A 60 4.831 -2.840 -6.773 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.840 -1.363 -6.707 1.00 0.00 H new ATOM 0 HB3 ALA A 60 5.607 -1.257 -6.528 1.00 0.00 H new ATOM 908 N PHE A 61 6.842 -1.997 -3.960 1.00 0.00 N ATOM 909 CA PHE A 61 8.048 -2.555 -3.372 1.00 0.00 C ATOM 910 C PHE A 61 7.785 -3.056 -1.951 1.00 0.00 C ATOM 911 O PHE A 61 8.190 -4.161 -1.593 1.00 0.00 O ATOM 912 CB PHE A 61 9.083 -1.429 -3.320 1.00 0.00 C ATOM 913 CG PHE A 61 10.507 -1.877 -3.656 1.00 0.00 C ATOM 914 CD1 PHE A 61 11.140 -2.782 -2.862 1.00 0.00 C ATOM 915 CD2 PHE A 61 11.139 -1.369 -4.748 1.00 0.00 C ATOM 916 CE1 PHE A 61 12.462 -3.197 -3.174 1.00 0.00 C ATOM 917 CE2 PHE A 61 12.461 -1.785 -5.060 1.00 0.00 C ATOM 918 CZ PHE A 61 13.094 -2.690 -4.266 1.00 0.00 C ATOM 0 H PHE A 61 6.898 -1.004 -4.186 1.00 0.00 H new ATOM 0 HA PHE A 61 8.395 -3.400 -3.967 1.00 0.00 H new ATOM 0 HB2 PHE A 61 8.786 -0.644 -4.016 1.00 0.00 H new ATOM 0 HB3 PHE A 61 9.077 -0.990 -2.322 1.00 0.00 H new ATOM 0 HD1 PHE A 61 10.638 -3.185 -1.995 1.00 0.00 H new ATOM 0 HD2 PHE A 61 10.636 -0.650 -5.378 1.00 0.00 H new ATOM 0 HE1 PHE A 61 12.965 -3.915 -2.544 1.00 0.00 H new ATOM 0 HE2 PHE A 61 12.963 -1.383 -5.927 1.00 0.00 H new ATOM 0 HZ PHE A 61 14.099 -3.006 -4.503 1.00 0.00 H new ATOM 928 N PHE A 62 7.107 -2.219 -1.179 1.00 0.00 N ATOM 929 CA PHE A 62 6.784 -2.563 0.195 1.00 0.00 C ATOM 930 C PHE A 62 5.828 -3.756 0.252 1.00 0.00 C ATOM 931 O PHE A 62 6.196 -4.830 0.725 1.00 0.00 O ATOM 932 CB PHE A 62 6.097 -1.343 0.812 1.00 0.00 C ATOM 933 CG PHE A 62 6.520 -1.054 2.254 1.00 0.00 C ATOM 934 CD1 PHE A 62 7.723 -0.473 2.506 1.00 0.00 C ATOM 935 CD2 PHE A 62 5.692 -1.376 3.283 1.00 0.00 C ATOM 936 CE1 PHE A 62 8.116 -0.204 3.844 1.00 0.00 C ATOM 937 CE2 PHE A 62 6.084 -1.107 4.621 1.00 0.00 C ATOM 938 CZ PHE A 62 7.288 -0.527 4.873 1.00 0.00 C ATOM 0 H PHE A 62 6.773 -1.303 -1.479 1.00 0.00 H new ATOM 0 HA PHE A 62 7.692 -2.834 0.734 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.313 -0.468 0.199 1.00 0.00 H new ATOM 0 HB3 PHE A 62 5.018 -1.494 0.784 1.00 0.00 H new ATOM 0 HD1 PHE A 62 8.380 -0.216 1.688 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.736 -1.837 3.083 1.00 0.00 H new ATOM 0 HE1 PHE A 62 9.072 0.257 4.044 1.00 0.00 H new ATOM 0 HE2 PHE A 62 5.426 -1.363 5.438 1.00 0.00 H new ATOM 0 HZ PHE A 62 7.587 -0.323 5.891 1.00 0.00 H new ATOM 948 N LEU A 63 4.618 -3.527 -0.237 1.00 0.00 N ATOM 949 CA LEU A 63 3.606 -4.569 -0.248 1.00 0.00 C ATOM 950 C LEU A 63 4.239 -5.885 -0.703 1.00 0.00 C ATOM 951 O LEU A 63 3.983 -6.937 -0.119 1.00 0.00 O ATOM 952 CB LEU A 63 2.404 -4.140 -1.092 1.00 0.00 C ATOM 953 CG LEU A 63 1.027 -4.367 -0.464 1.00 0.00 C ATOM 954 CD1 LEU A 63 0.705 -5.860 -0.374 1.00 0.00 C ATOM 955 CD2 LEU A 63 0.925 -3.676 0.896 1.00 0.00 C ATOM 0 H LEU A 63 4.316 -2.635 -0.628 1.00 0.00 H new ATOM 0 HA LEU A 63 3.218 -4.733 0.757 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.506 -3.079 -1.321 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.441 -4.676 -2.040 1.00 0.00 H new ATOM 0 HG LEU A 63 0.277 -3.914 -1.112 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.279 -5.994 0.076 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.709 -6.294 -1.374 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.455 -6.358 0.240 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.063 -3.853 1.321 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.685 -4.078 1.566 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.080 -2.604 0.772 1.00 0.00 H new ATOM 967 N ALA A 64 5.055 -5.783 -1.742 1.00 0.00 N ATOM 968 CA ALA A 64 5.728 -6.952 -2.283 1.00 0.00 C ATOM 969 C ALA A 64 6.571 -7.604 -1.185 1.00 0.00 C ATOM 970 O ALA A 64 6.305 -8.735 -0.782 1.00 0.00 O ATOM 971 CB ALA A 64 6.566 -6.544 -3.496 1.00 0.00 C ATOM 0 H ALA A 64 5.265 -4.909 -2.224 1.00 0.00 H new ATOM 0 HA ALA A 64 5.001 -7.690 -2.623 1.00 0.00 H new ATOM 0 HB1 ALA A 64 7.071 -7.421 -3.901 1.00 0.00 H new ATOM 0 HB2 ALA A 64 5.917 -6.114 -4.259 1.00 0.00 H new ATOM 0 HB3 ALA A 64 7.309 -5.806 -3.193 1.00 0.00 H new ATOM 977 N THR A 65 7.570 -6.861 -0.731 1.00 0.00 N ATOM 978 CA THR A 65 8.453 -7.353 0.313 1.00 0.00 C ATOM 979 C THR A 65 7.644 -8.026 1.424 1.00 0.00 C ATOM 980 O THR A 65 8.131 -8.943 2.083 1.00 0.00 O ATOM 981 CB THR A 65 9.302 -6.179 0.806 1.00 0.00 C ATOM 982 OG1 THR A 65 10.267 -5.991 -0.225 1.00 0.00 O ATOM 983 CG2 THR A 65 10.137 -6.536 2.037 1.00 0.00 C ATOM 0 H THR A 65 7.787 -5.923 -1.067 1.00 0.00 H new ATOM 0 HA THR A 65 9.125 -8.122 -0.068 1.00 0.00 H new ATOM 0 HB THR A 65 8.653 -5.335 1.040 1.00 0.00 H new ATOM 0 HG1 THR A 65 9.895 -5.407 -0.918 1.00 0.00 H new ATOM 0 HG21 THR A 65 10.720 -5.668 2.345 1.00 0.00 H new ATOM 0 HG22 THR A 65 9.476 -6.837 2.850 1.00 0.00 H new ATOM 0 HG23 THR A 65 10.810 -7.358 1.794 1.00 0.00 H new ATOM 991 N ILE A 66 6.421 -7.544 1.596 1.00 0.00 N ATOM 992 CA ILE A 66 5.540 -8.088 2.615 1.00 0.00 C ATOM 993 C ILE A 66 4.928 -9.396 2.109 1.00 0.00 C ATOM 994 O ILE A 66 5.375 -10.479 2.481 1.00 0.00 O ATOM 995 CB ILE A 66 4.502 -7.046 3.037 1.00 0.00 C ATOM 996 CG1 ILE A 66 5.176 -5.820 3.656 1.00 0.00 C ATOM 997 CG2 ILE A 66 3.458 -7.660 3.972 1.00 0.00 C ATOM 998 CD1 ILE A 66 5.916 -6.192 4.942 1.00 0.00 C ATOM 0 H ILE A 66 6.020 -6.783 1.047 1.00 0.00 H new ATOM 0 HA ILE A 66 6.103 -8.327 3.517 1.00 0.00 H new ATOM 0 HB ILE A 66 3.975 -6.707 2.145 1.00 0.00 H new ATOM 0 HG12 ILE A 66 5.876 -5.386 2.942 1.00 0.00 H new ATOM 0 HG13 ILE A 66 4.427 -5.058 3.871 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.732 -6.898 4.257 1.00 0.00 H new ATOM 0 HG22 ILE A 66 2.947 -8.476 3.461 1.00 0.00 H new ATOM 0 HG23 ILE A 66 3.951 -8.044 4.865 1.00 0.00 H new ATOM 0 HD11 ILE A 66 6.386 -5.303 5.362 1.00 0.00 H new ATOM 0 HD12 ILE A 66 5.209 -6.603 5.663 1.00 0.00 H new ATOM 0 HD13 ILE A 66 6.681 -6.936 4.719 1.00 0.00 H new ATOM 1010 N MET A 67 3.914 -9.251 1.268 1.00 0.00 N ATOM 1011 CA MET A 67 3.237 -10.408 0.707 1.00 0.00 C ATOM 1012 C MET A 67 4.244 -11.458 0.235 1.00 0.00 C ATOM 1013 O MET A 67 4.296 -12.561 0.776 1.00 0.00 O ATOM 1014 CB MET A 67 2.366 -9.968 -0.472 1.00 0.00 C ATOM 1015 CG MET A 67 0.880 -10.137 -0.150 1.00 0.00 C ATOM 1016 SD MET A 67 0.273 -11.662 -0.852 1.00 0.00 S ATOM 1017 CE MET A 67 0.207 -12.675 0.616 1.00 0.00 C ATOM 0 H MET A 67 3.545 -8.351 0.962 1.00 0.00 H new ATOM 0 HA MET A 67 2.615 -10.853 1.483 1.00 0.00 H new ATOM 0 HB2 MET A 67 2.573 -8.925 -0.712 1.00 0.00 H new ATOM 0 HB3 MET A 67 2.619 -10.555 -1.355 1.00 0.00 H new ATOM 0 HG2 MET A 67 0.731 -10.140 0.930 1.00 0.00 H new ATOM 0 HG3 MET A 67 0.315 -9.294 -0.547 1.00 0.00 H new ATOM 0 HE1 MET A 67 -0.155 -13.670 0.356 1.00 0.00 H new ATOM 0 HE2 MET A 67 1.204 -12.753 1.049 1.00 0.00 H new ATOM 0 HE3 MET A 67 -0.469 -12.222 1.341 1.00 0.00 H new ATOM 1027 N GLY A 68 5.019 -11.078 -0.771 1.00 0.00 N ATOM 1028 CA GLY A 68 6.022 -11.973 -1.322 1.00 0.00 C ATOM 1029 C GLY A 68 5.935 -12.018 -2.849 1.00 0.00 C ATOM 1030 O GLY A 68 5.994 -13.092 -3.446 1.00 0.00 O ATOM 0 H GLY A 68 4.972 -10.163 -1.218 1.00 0.00 H new ATOM 0 HA2 GLY A 68 7.016 -11.642 -1.020 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.883 -12.975 -0.916 1.00 0.00 H new ATOM 1245 N ALA A 80 1.235 -10.124 -10.457 1.00 0.00 N ATOM 1246 CA ALA A 80 1.437 -9.339 -11.663 1.00 0.00 C ATOM 1247 C ALA A 80 0.817 -7.953 -11.475 1.00 0.00 C ATOM 1248 O ALA A 80 1.408 -6.947 -11.864 1.00 0.00 O ATOM 1249 CB ALA A 80 0.845 -10.084 -12.862 1.00 0.00 C ATOM 0 HA ALA A 80 2.501 -9.201 -11.857 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.996 -9.495 -13.767 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.339 -11.050 -12.970 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.222 -10.238 -12.704 1.00 0.00 H new ATOM 1255 N GLY A 81 -0.366 -7.945 -10.878 1.00 0.00 N ATOM 1256 CA GLY A 81 -1.072 -6.699 -10.633 1.00 0.00 C ATOM 1257 C GLY A 81 -0.293 -5.809 -9.664 1.00 0.00 C ATOM 1258 O GLY A 81 -0.503 -4.597 -9.622 1.00 0.00 O ATOM 0 H GLY A 81 -0.853 -8.782 -10.557 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -1.224 -6.172 -11.575 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.060 -6.911 -10.224 1.00 0.00 H new ATOM 1262 N LEU A 82 0.591 -6.443 -8.908 1.00 0.00 N ATOM 1263 CA LEU A 82 1.403 -5.723 -7.941 1.00 0.00 C ATOM 1264 C LEU A 82 2.214 -4.646 -8.665 1.00 0.00 C ATOM 1265 O LEU A 82 1.916 -3.458 -8.552 1.00 0.00 O ATOM 1266 CB LEU A 82 2.260 -6.697 -7.130 1.00 0.00 C ATOM 1267 CG LEU A 82 2.582 -6.273 -5.696 1.00 0.00 C ATOM 1268 CD1 LEU A 82 2.774 -4.758 -5.602 1.00 0.00 C ATOM 1269 CD2 LEU A 82 1.515 -6.776 -4.722 1.00 0.00 C ATOM 0 H LEU A 82 0.763 -7.448 -8.945 1.00 0.00 H new ATOM 0 HA LEU A 82 0.769 -5.213 -7.216 1.00 0.00 H new ATOM 0 HB2 LEU A 82 1.749 -7.659 -7.097 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.199 -6.853 -7.661 1.00 0.00 H new ATOM 0 HG LEU A 82 3.526 -6.736 -5.407 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.002 -4.483 -4.572 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.597 -4.455 -6.249 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.860 -4.255 -5.918 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.769 -6.461 -3.710 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.545 -6.362 -4.999 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.470 -7.864 -4.762 1.00 0.00 H new ATOM 1281 N VAL A 83 3.225 -5.100 -9.392 1.00 0.00 N ATOM 1282 CA VAL A 83 4.081 -4.191 -10.133 1.00 0.00 C ATOM 1283 C VAL A 83 3.284 -3.568 -11.281 1.00 0.00 C ATOM 1284 O VAL A 83 3.230 -2.346 -11.413 1.00 0.00 O ATOM 1285 CB VAL A 83 5.338 -4.924 -10.607 1.00 0.00 C ATOM 1286 CG1 VAL A 83 6.129 -4.070 -11.600 1.00 0.00 C ATOM 1287 CG2 VAL A 83 6.211 -5.338 -9.421 1.00 0.00 C ATOM 0 H VAL A 83 3.470 -6.086 -9.483 1.00 0.00 H new ATOM 0 HA VAL A 83 4.418 -3.377 -9.492 1.00 0.00 H new ATOM 0 HB VAL A 83 5.023 -5.831 -11.123 1.00 0.00 H new ATOM 0 HG11 VAL A 83 7.017 -4.614 -11.921 1.00 0.00 H new ATOM 0 HG12 VAL A 83 5.506 -3.849 -12.467 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.428 -3.138 -11.121 1.00 0.00 H new ATOM 0 HG21 VAL A 83 7.098 -5.857 -9.785 1.00 0.00 H new ATOM 0 HG22 VAL A 83 6.513 -4.451 -8.864 1.00 0.00 H new ATOM 0 HG23 VAL A 83 5.645 -6.002 -8.767 1.00 0.00 H new ATOM 1297 N ALA A 84 2.684 -4.436 -12.082 1.00 0.00 N ATOM 1298 CA ALA A 84 1.892 -3.987 -13.214 1.00 0.00 C ATOM 1299 C ALA A 84 0.940 -2.880 -12.758 1.00 0.00 C ATOM 1300 O ALA A 84 0.617 -1.977 -13.528 1.00 0.00 O ATOM 1301 CB ALA A 84 1.151 -5.179 -13.824 1.00 0.00 C ATOM 0 H ALA A 84 2.731 -5.449 -11.969 1.00 0.00 H new ATOM 0 HA ALA A 84 2.534 -3.570 -13.990 1.00 0.00 H new ATOM 0 HB1 ALA A 84 0.557 -4.842 -14.673 1.00 0.00 H new ATOM 0 HB2 ALA A 84 1.873 -5.924 -14.159 1.00 0.00 H new ATOM 0 HB3 ALA A 84 0.495 -5.622 -13.075 1.00 0.00 H new ATOM 1307 N GLY A 85 0.517 -2.986 -11.507 1.00 0.00 N ATOM 1308 CA GLY A 85 -0.392 -2.005 -10.938 1.00 0.00 C ATOM 1309 C GLY A 85 0.338 -0.696 -10.628 1.00 0.00 C ATOM 1310 O GLY A 85 -0.094 0.375 -11.052 1.00 0.00 O ATOM 0 H GLY A 85 0.787 -3.736 -10.871 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.209 -1.814 -11.634 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.837 -2.402 -10.026 1.00 0.00 H new ATOM 1314 N LEU A 86 1.431 -0.826 -9.891 1.00 0.00 N ATOM 1315 CA LEU A 86 2.225 0.333 -9.519 1.00 0.00 C ATOM 1316 C LEU A 86 2.422 1.225 -10.746 1.00 0.00 C ATOM 1317 O LEU A 86 2.274 2.443 -10.663 1.00 0.00 O ATOM 1318 CB LEU A 86 3.534 -0.104 -8.859 1.00 0.00 C ATOM 1319 CG LEU A 86 4.799 0.066 -9.702 1.00 0.00 C ATOM 1320 CD1 LEU A 86 5.169 1.543 -9.844 1.00 0.00 C ATOM 1321 CD2 LEU A 86 5.953 -0.762 -9.132 1.00 0.00 C ATOM 0 H LEU A 86 1.786 -1.716 -9.541 1.00 0.00 H new ATOM 0 HA LEU A 86 1.702 0.930 -8.771 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.658 0.461 -7.935 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.445 -1.154 -8.581 1.00 0.00 H new ATOM 0 HG LEU A 86 4.595 -0.312 -10.704 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.072 1.636 -10.448 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.352 2.078 -10.329 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.347 1.970 -8.857 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.840 -0.623 -9.750 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.166 -0.437 -8.114 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.676 -1.816 -9.126 1.00 0.00 H new ATOM 1333 N SER A 87 2.755 0.584 -11.857 1.00 0.00 N ATOM 1334 CA SER A 87 2.975 1.304 -13.100 1.00 0.00 C ATOM 1335 C SER A 87 1.656 1.896 -13.602 1.00 0.00 C ATOM 1336 O SER A 87 1.540 3.109 -13.769 1.00 0.00 O ATOM 1337 CB SER A 87 3.587 0.392 -14.164 1.00 0.00 C ATOM 1338 OG SER A 87 4.972 0.152 -13.930 1.00 0.00 O ATOM 0 H SER A 87 2.878 -0.426 -11.922 1.00 0.00 H new ATOM 0 HA SER A 87 3.679 2.113 -12.907 1.00 0.00 H new ATOM 0 HB2 SER A 87 3.052 -0.558 -14.179 1.00 0.00 H new ATOM 0 HB3 SER A 87 3.459 0.845 -15.147 1.00 0.00 H new ATOM 0 HG SER A 87 5.325 -0.436 -14.630 1.00 0.00 H new ATOM 1344 N LEU A 88 0.696 1.011 -13.828 1.00 0.00 N ATOM 1345 CA LEU A 88 -0.610 1.431 -14.308 1.00 0.00 C ATOM 1346 C LEU A 88 -1.074 2.651 -13.510 1.00 0.00 C ATOM 1347 O LEU A 88 -1.869 3.452 -13.999 1.00 0.00 O ATOM 1348 CB LEU A 88 -1.595 0.261 -14.271 1.00 0.00 C ATOM 1349 CG LEU A 88 -2.504 0.111 -15.493 1.00 0.00 C ATOM 1350 CD1 LEU A 88 -1.902 -0.861 -16.509 1.00 0.00 C ATOM 1351 CD2 LEU A 88 -3.919 -0.298 -15.077 1.00 0.00 C ATOM 0 H LEU A 88 0.796 0.006 -13.688 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.552 1.737 -15.353 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.028 -0.662 -14.149 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.223 0.368 -13.387 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.580 1.082 -15.983 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.568 -0.949 -17.367 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.932 -0.488 -16.839 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.776 -1.840 -16.046 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -4.545 -0.398 -15.964 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.882 -1.251 -14.550 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.340 0.463 -14.420 1.00 0.00 H new ATOM 1363 N MET A 89 -0.557 2.754 -12.294 1.00 0.00 N ATOM 1364 CA MET A 89 -0.908 3.863 -11.424 1.00 0.00 C ATOM 1365 C MET A 89 -0.107 5.117 -11.782 1.00 0.00 C ATOM 1366 O MET A 89 -0.679 6.184 -11.996 1.00 0.00 O ATOM 1367 CB MET A 89 -0.632 3.478 -9.969 1.00 0.00 C ATOM 1368 CG MET A 89 -1.493 4.302 -9.010 1.00 0.00 C ATOM 1369 SD MET A 89 -0.454 5.171 -7.848 1.00 0.00 S ATOM 1370 CE MET A 89 0.038 6.563 -8.851 1.00 0.00 C ATOM 0 H MET A 89 0.102 2.088 -11.891 1.00 0.00 H new ATOM 0 HA MET A 89 -1.967 4.082 -11.556 1.00 0.00 H new ATOM 0 HB2 MET A 89 -0.835 2.417 -9.825 1.00 0.00 H new ATOM 0 HB3 MET A 89 0.423 3.634 -9.742 1.00 0.00 H new ATOM 0 HG2 MET A 89 -2.098 5.014 -9.572 1.00 0.00 H new ATOM 0 HG3 MET A 89 -2.183 3.649 -8.476 1.00 0.00 H new ATOM 0 HE1 MET A 89 0.248 7.418 -8.209 1.00 0.00 H new ATOM 0 HE2 MET A 89 0.934 6.306 -9.416 1.00 0.00 H new ATOM 0 HE3 MET A 89 -0.766 6.816 -9.541 1.00 0.00 H new ATOM 1380 N MET A 90 1.206 4.945 -11.835 1.00 0.00 N ATOM 1381 CA MET A 90 2.092 6.049 -12.163 1.00 0.00 C ATOM 1382 C MET A 90 1.702 6.687 -13.498 1.00 0.00 C ATOM 1383 O MET A 90 2.045 7.838 -13.764 1.00 0.00 O ATOM 1384 CB MET A 90 3.533 5.542 -12.241 1.00 0.00 C ATOM 1385 CG MET A 90 3.812 4.890 -13.597 1.00 0.00 C ATOM 1386 SD MET A 90 4.911 5.920 -14.555 1.00 0.00 S ATOM 1387 CE MET A 90 5.537 4.714 -15.712 1.00 0.00 C ATOM 0 H MET A 90 1.677 4.058 -11.656 1.00 0.00 H new ATOM 0 HA MET A 90 2.005 6.804 -11.382 1.00 0.00 H new ATOM 0 HB2 MET A 90 4.223 6.371 -12.083 1.00 0.00 H new ATOM 0 HB3 MET A 90 3.713 4.821 -11.443 1.00 0.00 H new ATOM 0 HG2 MET A 90 4.257 3.906 -13.452 1.00 0.00 H new ATOM 0 HG3 MET A 90 2.877 4.741 -14.137 1.00 0.00 H new ATOM 0 HE1 MET A 90 6.243 5.193 -16.390 1.00 0.00 H new ATOM 0 HE2 MET A 90 6.041 3.915 -15.168 1.00 0.00 H new ATOM 0 HE3 MET A 90 4.710 4.296 -16.286 1.00 0.00 H new ATOM 1397 N ILE A 91 0.991 5.911 -14.303 1.00 0.00 N ATOM 1398 CA ILE A 91 0.551 6.385 -15.604 1.00 0.00 C ATOM 1399 C ILE A 91 -0.836 7.018 -15.469 1.00 0.00 C ATOM 1400 O ILE A 91 -1.088 8.091 -16.014 1.00 0.00 O ATOM 1401 CB ILE A 91 0.615 5.257 -16.635 1.00 0.00 C ATOM 1402 CG1 ILE A 91 0.382 5.793 -18.049 1.00 0.00 C ATOM 1403 CG2 ILE A 91 -0.361 4.134 -16.280 1.00 0.00 C ATOM 1404 CD1 ILE A 91 1.609 5.559 -18.933 1.00 0.00 C ATOM 0 H ILE A 91 0.709 4.957 -14.079 1.00 0.00 H new ATOM 0 HA ILE A 91 1.221 7.161 -15.974 1.00 0.00 H new ATOM 0 HB ILE A 91 1.618 4.831 -16.613 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.487 5.303 -18.489 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.159 6.859 -18.006 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -0.296 3.345 -17.029 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -0.107 3.727 -15.301 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.377 4.529 -16.257 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.417 5.949 -19.933 1.00 0.00 H new ATOM 0 HD12 ILE A 91 2.470 6.070 -18.503 1.00 0.00 H new ATOM 0 HD13 ILE A 91 1.815 4.490 -18.994 1.00 0.00 H new ATOM 1416 N LEU A 92 -1.698 6.325 -14.740 1.00 0.00 N ATOM 1417 CA LEU A 92 -3.053 6.805 -14.527 1.00 0.00 C ATOM 1418 C LEU A 92 -3.007 8.111 -13.731 1.00 0.00 C ATOM 1419 O LEU A 92 -3.992 8.846 -13.681 1.00 0.00 O ATOM 1420 CB LEU A 92 -3.911 5.718 -13.877 1.00 0.00 C ATOM 1421 CG LEU A 92 -3.873 5.659 -12.348 1.00 0.00 C ATOM 1422 CD1 LEU A 92 -4.679 6.806 -11.735 1.00 0.00 C ATOM 1423 CD2 LEU A 92 -4.342 4.294 -11.840 1.00 0.00 C ATOM 0 H LEU A 92 -1.485 5.435 -14.289 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.532 7.029 -15.480 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -4.945 5.863 -14.190 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -3.593 4.751 -14.266 1.00 0.00 H new ATOM 0 HG LEU A 92 -2.839 5.784 -12.027 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -4.636 6.741 -10.648 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -4.260 7.759 -12.058 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -5.717 6.737 -12.062 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -4.305 4.279 -10.751 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -5.365 4.114 -12.171 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.690 3.515 -12.236 1.00 0.00 H new ATOM 1435 N ARG A 93 -1.854 8.359 -13.128 1.00 0.00 N ATOM 1436 CA ARG A 93 -1.667 9.563 -12.337 1.00 0.00 C ATOM 1437 C ARG A 93 -0.889 10.609 -13.138 1.00 0.00 C ATOM 1438 O ARG A 93 -1.307 11.762 -13.231 1.00 0.00 O ATOM 1439 CB ARG A 93 -0.913 9.259 -11.041 1.00 0.00 C ATOM 1440 CG ARG A 93 -1.808 9.485 -9.820 1.00 0.00 C ATOM 1441 CD ARG A 93 -1.039 10.189 -8.700 1.00 0.00 C ATOM 1442 NE ARG A 93 -1.879 11.247 -8.096 1.00 0.00 N ATOM 1443 CZ ARG A 93 -1.547 11.932 -6.994 1.00 0.00 C ATOM 1444 NH1 ARG A 93 -0.391 11.674 -6.367 1.00 0.00 N ATOM 1445 NH2 ARG A 93 -2.371 12.875 -6.517 1.00 0.00 N ATOM 0 H ARG A 93 -1.040 7.746 -13.171 1.00 0.00 H new ATOM 0 HA ARG A 93 -2.654 9.952 -12.087 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -0.563 8.227 -11.053 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -0.030 9.895 -10.972 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -2.673 10.084 -10.104 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -2.187 8.528 -9.460 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -0.747 9.466 -7.938 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -0.121 10.624 -9.096 1.00 0.00 H new ATOM 0 HE ARG A 93 -2.767 11.468 -8.547 1.00 0.00 H new ATOM 0 HH11 ARG A 93 0.236 10.956 -6.729 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -0.138 12.196 -5.528 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -3.251 13.071 -6.993 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -2.118 13.396 -5.678 1.00 0.00 H new ATOM 1459 N LEU A 94 0.230 10.169 -13.696 1.00 0.00 N ATOM 1460 CA LEU A 94 1.070 11.053 -14.486 1.00 0.00 C ATOM 1461 C LEU A 94 0.271 11.576 -15.681 1.00 0.00 C ATOM 1462 O LEU A 94 0.642 12.578 -16.290 1.00 0.00 O ATOM 1463 CB LEU A 94 2.370 10.347 -14.877 1.00 0.00 C ATOM 1464 CG LEU A 94 3.442 11.227 -15.524 1.00 0.00 C ATOM 1465 CD1 LEU A 94 4.840 10.829 -15.047 1.00 0.00 C ATOM 1466 CD2 LEU A 94 3.327 11.198 -17.050 1.00 0.00 C ATOM 0 H LEU A 94 0.574 9.212 -13.616 1.00 0.00 H new ATOM 0 HA LEU A 94 1.369 11.921 -13.898 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.794 9.889 -13.984 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.128 9.538 -15.566 1.00 0.00 H new ATOM 0 HG LEU A 94 3.275 12.257 -15.208 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.583 11.470 -15.522 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.901 10.943 -13.965 1.00 0.00 H new ATOM 0 HD13 LEU A 94 5.033 9.790 -15.314 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.100 11.831 -17.485 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.453 10.175 -17.405 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.346 11.567 -17.348 1.00 0.00 H new ATOM 1478 N VAL A 95 -0.812 10.874 -15.981 1.00 0.00 N ATOM 1479 CA VAL A 95 -1.667 11.255 -17.092 1.00 0.00 C ATOM 1480 C VAL A 95 -2.098 12.714 -16.922 1.00 0.00 C ATOM 1481 O VAL A 95 -1.969 13.515 -17.846 1.00 0.00 O ATOM 1482 CB VAL A 95 -2.850 10.291 -17.197 1.00 0.00 C ATOM 1483 CG1 VAL A 95 -4.069 10.984 -17.809 1.00 0.00 C ATOM 1484 CG2 VAL A 95 -2.471 9.042 -17.995 1.00 0.00 C ATOM 0 H VAL A 95 -1.117 10.043 -15.474 1.00 0.00 H new ATOM 0 HA VAL A 95 -1.123 11.184 -18.034 1.00 0.00 H new ATOM 0 HB VAL A 95 -3.115 9.975 -16.188 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -4.896 10.277 -17.872 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.360 11.828 -17.183 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.820 11.342 -18.808 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -3.330 8.374 -18.054 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.166 9.331 -19.001 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.646 8.530 -17.499 1.00 0.00 H new ATOM 1494 N LEU A 96 -2.601 13.013 -15.733 1.00 0.00 N ATOM 1495 CA LEU A 96 -3.052 14.361 -15.430 1.00 0.00 C ATOM 1496 C LEU A 96 -1.921 15.130 -14.744 1.00 0.00 C ATOM 1497 O LEU A 96 -1.710 16.310 -15.021 1.00 0.00 O ATOM 1498 CB LEU A 96 -4.349 14.323 -14.620 1.00 0.00 C ATOM 1499 CG LEU A 96 -4.324 13.465 -13.353 1.00 0.00 C ATOM 1500 CD1 LEU A 96 -4.829 14.257 -12.145 1.00 0.00 C ATOM 1501 CD2 LEU A 96 -5.105 12.166 -13.554 1.00 0.00 C ATOM 0 H LEU A 96 -2.706 12.346 -14.969 1.00 0.00 H new ATOM 0 HA LEU A 96 -3.292 14.898 -16.348 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.608 15.344 -14.339 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -5.147 13.958 -15.266 1.00 0.00 H new ATOM 0 HG LEU A 96 -3.290 13.189 -13.148 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.801 13.624 -11.258 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.193 15.128 -11.990 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.853 14.583 -12.326 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -5.071 11.576 -12.638 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -6.142 12.399 -13.797 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -4.660 11.596 -14.370 1.00 0.00 H new