USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 441 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 85:sc= 1.08 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 -150:sc= -0.445! USER MOD Single : A 59 THR OG1 : rot 80:sc= 1.03 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl 170:sc= 0 (180deg=-0.0365) USER MOD Single : A 87 SER OG : rot 81:sc= 0.0623 USER MOD Single : A 89 MET CE :methyl 143:sc= -0.442 (180deg=-3.94!) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 102 N TYR A 8 -28.684 13.363 4.254 1.00 0.00 N ATOM 103 CA TYR A 8 -28.117 12.658 3.117 1.00 0.00 C ATOM 104 C TYR A 8 -26.687 12.202 3.412 1.00 0.00 C ATOM 105 O TYR A 8 -26.352 11.034 3.221 1.00 0.00 O ATOM 106 CB TYR A 8 -28.091 13.666 1.966 1.00 0.00 C ATOM 107 CG TYR A 8 -27.946 13.027 0.583 1.00 0.00 C ATOM 108 CD1 TYR A 8 -26.692 12.767 0.071 1.00 0.00 C ATOM 109 CD2 TYR A 8 -29.071 12.711 -0.152 1.00 0.00 C ATOM 110 CE1 TYR A 8 -26.555 12.167 -1.230 1.00 0.00 C ATOM 111 CE2 TYR A 8 -28.935 12.111 -1.454 1.00 0.00 C ATOM 112 CZ TYR A 8 -27.684 11.868 -1.929 1.00 0.00 C ATOM 113 OH TYR A 8 -27.555 11.301 -3.158 1.00 0.00 O ATOM 0 HA TYR A 8 -28.706 11.771 2.883 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -29.009 14.253 1.989 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -27.265 14.360 2.123 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -25.812 13.014 0.647 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -30.053 12.914 0.249 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -25.579 11.959 -1.642 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -29.807 11.860 -2.040 1.00 0.00 H new ATOM 0 HH TYR A 8 -28.443 11.142 -3.540 1.00 0.00 H new ATOM 123 N ALA A 9 -25.881 13.147 3.873 1.00 0.00 N ATOM 124 CA ALA A 9 -24.495 12.857 4.196 1.00 0.00 C ATOM 125 C ALA A 9 -24.441 11.962 5.435 1.00 0.00 C ATOM 126 O ALA A 9 -23.517 11.165 5.590 1.00 0.00 O ATOM 127 CB ALA A 9 -23.730 14.169 4.390 1.00 0.00 C ATOM 0 H ALA A 9 -26.162 14.115 4.031 1.00 0.00 H new ATOM 0 HA ALA A 9 -24.015 12.318 3.379 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -22.690 13.951 4.632 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -23.774 14.755 3.472 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -24.181 14.736 5.204 1.00 0.00 H new ATOM 133 N ALA A 10 -25.443 12.123 6.286 1.00 0.00 N ATOM 134 CA ALA A 10 -25.522 11.340 7.507 1.00 0.00 C ATOM 135 C ALA A 10 -25.655 9.858 7.149 1.00 0.00 C ATOM 136 O ALA A 10 -24.777 9.057 7.467 1.00 0.00 O ATOM 137 CB ALA A 10 -26.688 11.841 8.362 1.00 0.00 C ATOM 0 H ALA A 10 -26.208 12.785 6.154 1.00 0.00 H new ATOM 0 HA ALA A 10 -24.613 11.457 8.097 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -26.747 11.253 9.278 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -26.530 12.890 8.614 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -27.619 11.738 7.804 1.00 0.00 H new ATOM 143 N LEU A 11 -26.761 9.538 6.494 1.00 0.00 N ATOM 144 CA LEU A 11 -27.021 8.167 6.089 1.00 0.00 C ATOM 145 C LEU A 11 -25.853 7.659 5.242 1.00 0.00 C ATOM 146 O LEU A 11 -25.399 6.530 5.418 1.00 0.00 O ATOM 147 CB LEU A 11 -28.379 8.063 5.391 1.00 0.00 C ATOM 148 CG LEU A 11 -28.453 8.649 3.979 1.00 0.00 C ATOM 149 CD1 LEU A 11 -28.078 7.601 2.930 1.00 0.00 C ATOM 150 CD2 LEU A 11 -29.830 9.260 3.712 1.00 0.00 C ATOM 0 H LEU A 11 -27.488 10.205 6.234 1.00 0.00 H new ATOM 0 HA LEU A 11 -27.087 7.518 6.962 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -28.661 7.011 5.342 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -29.123 8.564 6.010 1.00 0.00 H new ATOM 0 HG LEU A 11 -27.722 9.454 3.904 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -28.139 8.043 1.936 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -27.061 7.253 3.111 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -28.767 6.759 2.995 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -29.857 9.670 2.702 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -30.595 8.490 3.812 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -30.020 10.056 4.432 1.00 0.00 H new ATOM 162 N VAL A 12 -25.400 8.518 4.341 1.00 0.00 N ATOM 163 CA VAL A 12 -24.293 8.171 3.466 1.00 0.00 C ATOM 164 C VAL A 12 -23.105 7.710 4.312 1.00 0.00 C ATOM 165 O VAL A 12 -22.506 6.672 4.034 1.00 0.00 O ATOM 166 CB VAL A 12 -23.955 9.353 2.555 1.00 0.00 C ATOM 167 CG1 VAL A 12 -22.577 9.175 1.914 1.00 0.00 C ATOM 168 CG2 VAL A 12 -25.034 9.550 1.489 1.00 0.00 C ATOM 0 H VAL A 12 -25.780 9.454 4.198 1.00 0.00 H new ATOM 0 HA VAL A 12 -24.568 7.343 2.813 1.00 0.00 H new ATOM 0 HB VAL A 12 -23.924 10.252 3.171 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -22.362 10.029 1.272 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -21.819 9.107 2.694 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -22.568 8.262 1.319 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -24.769 10.396 0.855 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -25.111 8.650 0.879 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -25.992 9.744 1.972 1.00 0.00 H new ATOM 178 N THR A 13 -22.799 8.503 5.328 1.00 0.00 N ATOM 179 CA THR A 13 -21.694 8.189 6.217 1.00 0.00 C ATOM 180 C THR A 13 -21.946 6.861 6.934 1.00 0.00 C ATOM 181 O THR A 13 -21.017 6.088 7.162 1.00 0.00 O ATOM 182 CB THR A 13 -21.505 9.369 7.172 1.00 0.00 C ATOM 183 OG1 THR A 13 -20.998 10.410 6.342 1.00 0.00 O ATOM 184 CG2 THR A 13 -20.388 9.126 8.189 1.00 0.00 C ATOM 0 H THR A 13 -23.298 9.363 5.555 1.00 0.00 H new ATOM 0 HA THR A 13 -20.767 8.051 5.661 1.00 0.00 H new ATOM 0 HB THR A 13 -22.440 9.563 7.699 1.00 0.00 H new ATOM 0 HG1 THR A 13 -21.744 10.880 5.914 1.00 0.00 H new ATOM 0 HG21 THR A 13 -20.296 9.994 8.842 1.00 0.00 H new ATOM 0 HG22 THR A 13 -20.625 8.246 8.786 1.00 0.00 H new ATOM 0 HG23 THR A 13 -19.446 8.965 7.664 1.00 0.00 H new ATOM 192 N PHE A 14 -23.208 6.637 7.269 1.00 0.00 N ATOM 193 CA PHE A 14 -23.595 5.416 7.956 1.00 0.00 C ATOM 194 C PHE A 14 -23.346 4.190 7.075 1.00 0.00 C ATOM 195 O PHE A 14 -22.689 3.240 7.499 1.00 0.00 O ATOM 196 CB PHE A 14 -25.093 5.523 8.249 1.00 0.00 C ATOM 197 CG PHE A 14 -25.569 4.621 9.390 1.00 0.00 C ATOM 198 CD1 PHE A 14 -25.077 4.796 10.646 1.00 0.00 C ATOM 199 CD2 PHE A 14 -26.484 3.645 9.147 1.00 0.00 C ATOM 200 CE1 PHE A 14 -25.520 3.959 11.704 1.00 0.00 C ATOM 201 CE2 PHE A 14 -26.927 2.808 10.206 1.00 0.00 C ATOM 202 CZ PHE A 14 -26.435 2.983 11.462 1.00 0.00 C ATOM 0 H PHE A 14 -23.976 7.280 7.078 1.00 0.00 H new ATOM 0 HA PHE A 14 -23.010 5.300 8.868 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -25.332 6.558 8.494 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -25.649 5.272 7.345 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -24.350 5.571 10.838 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -26.874 3.506 8.149 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -25.130 4.098 12.701 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -27.654 2.033 10.014 1.00 0.00 H new ATOM 0 HZ PHE A 14 -26.771 2.347 12.267 1.00 0.00 H new ATOM 212 N GLY A 15 -23.883 4.251 5.866 1.00 0.00 N ATOM 213 CA GLY A 15 -23.728 3.157 4.922 1.00 0.00 C ATOM 214 C GLY A 15 -22.261 2.980 4.525 1.00 0.00 C ATOM 215 O GLY A 15 -21.838 1.880 4.173 1.00 0.00 O ATOM 0 H GLY A 15 -24.426 5.041 5.518 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -24.103 2.234 5.365 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -24.328 3.351 4.033 1.00 0.00 H new ATOM 219 N SER A 16 -21.525 4.079 4.596 1.00 0.00 N ATOM 220 CA SER A 16 -20.114 4.059 4.248 1.00 0.00 C ATOM 221 C SER A 16 -19.328 3.274 5.299 1.00 0.00 C ATOM 222 O SER A 16 -18.550 2.383 4.960 1.00 0.00 O ATOM 223 CB SER A 16 -19.558 5.479 4.120 1.00 0.00 C ATOM 224 OG SER A 16 -18.923 5.692 2.863 1.00 0.00 O ATOM 0 H SER A 16 -21.879 4.989 4.889 1.00 0.00 H new ATOM 0 HA SER A 16 -20.007 3.568 3.281 1.00 0.00 H new ATOM 0 HB2 SER A 16 -20.368 6.198 4.243 1.00 0.00 H new ATOM 0 HB3 SER A 16 -18.844 5.662 4.923 1.00 0.00 H new ATOM 0 HG SER A 16 -18.583 6.610 2.820 1.00 0.00 H new ATOM 230 N ILE A 17 -19.557 3.632 6.554 1.00 0.00 N ATOM 231 CA ILE A 17 -18.880 2.972 7.657 1.00 0.00 C ATOM 232 C ILE A 17 -19.363 1.523 7.752 1.00 0.00 C ATOM 233 O ILE A 17 -18.596 0.592 7.512 1.00 0.00 O ATOM 234 CB ILE A 17 -19.062 3.767 8.951 1.00 0.00 C ATOM 235 CG1 ILE A 17 -18.425 5.154 8.836 1.00 0.00 C ATOM 236 CG2 ILE A 17 -18.525 2.988 10.153 1.00 0.00 C ATOM 237 CD1 ILE A 17 -16.952 5.049 8.436 1.00 0.00 C ATOM 0 H ILE A 17 -20.203 4.371 6.831 1.00 0.00 H new ATOM 0 HA ILE A 17 -17.805 2.940 7.479 1.00 0.00 H new ATOM 0 HB ILE A 17 -20.130 3.915 9.114 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -18.965 5.746 8.097 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -18.511 5.678 9.788 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -18.667 3.576 11.060 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -19.062 2.044 10.244 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -17.463 2.788 10.012 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -16.523 6.048 8.361 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -16.410 4.477 9.189 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -16.872 4.547 7.472 1.00 0.00 H new ATOM 249 N PHE A 18 -20.632 1.378 8.104 1.00 0.00 N ATOM 250 CA PHE A 18 -21.226 0.059 8.234 1.00 0.00 C ATOM 251 C PHE A 18 -20.942 -0.796 6.998 1.00 0.00 C ATOM 252 O PHE A 18 -20.620 -1.977 7.115 1.00 0.00 O ATOM 253 CB PHE A 18 -22.737 0.259 8.364 1.00 0.00 C ATOM 254 CG PHE A 18 -23.430 -0.782 9.245 1.00 0.00 C ATOM 255 CD1 PHE A 18 -23.306 -2.106 8.959 1.00 0.00 C ATOM 256 CD2 PHE A 18 -24.171 -0.384 10.314 1.00 0.00 C ATOM 257 CE1 PHE A 18 -23.949 -3.072 9.776 1.00 0.00 C ATOM 258 CE2 PHE A 18 -24.814 -1.351 11.132 1.00 0.00 C ATOM 259 CZ PHE A 18 -24.690 -2.674 10.846 1.00 0.00 C ATOM 0 H PHE A 18 -21.265 2.153 8.303 1.00 0.00 H new ATOM 0 HA PHE A 18 -20.807 -0.453 9.100 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -22.928 1.251 8.773 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -23.183 0.233 7.370 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -22.718 -2.422 8.110 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -24.270 0.667 10.541 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -23.850 -4.123 9.549 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -25.402 -1.035 11.981 1.00 0.00 H new ATOM 0 HZ PHE A 18 -25.179 -3.409 11.468 1.00 0.00 H new ATOM 441 N ILE A 30 -5.481 -7.898 -7.912 1.00 0.00 N ATOM 442 CA ILE A 30 -6.455 -7.071 -7.220 1.00 0.00 C ATOM 443 C ILE A 30 -5.775 -6.365 -6.045 1.00 0.00 C ATOM 444 O ILE A 30 -6.259 -5.340 -5.568 1.00 0.00 O ATOM 445 CB ILE A 30 -7.674 -7.902 -6.816 1.00 0.00 C ATOM 446 CG1 ILE A 30 -8.893 -7.009 -6.579 1.00 0.00 C ATOM 447 CG2 ILE A 30 -7.361 -8.779 -5.601 1.00 0.00 C ATOM 448 CD1 ILE A 30 -8.714 -6.160 -5.319 1.00 0.00 C ATOM 0 HA ILE A 30 -6.834 -6.294 -7.883 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.920 -8.570 -7.641 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -9.045 -6.359 -7.441 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -9.787 -7.626 -6.482 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -8.244 -9.360 -5.334 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.541 -9.456 -5.842 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -7.075 -8.147 -4.760 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -9.595 -5.534 -5.174 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -8.586 -6.813 -4.456 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -7.833 -5.527 -5.429 1.00 0.00 H new ATOM 460 N ALA A 31 -4.663 -6.942 -5.613 1.00 0.00 N ATOM 461 CA ALA A 31 -3.911 -6.381 -4.504 1.00 0.00 C ATOM 462 C ALA A 31 -3.252 -5.074 -4.949 1.00 0.00 C ATOM 463 O ALA A 31 -3.470 -4.026 -4.342 1.00 0.00 O ATOM 464 CB ALA A 31 -2.892 -7.408 -4.006 1.00 0.00 C ATOM 0 H ALA A 31 -4.265 -7.792 -6.011 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.573 -6.149 -3.670 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.328 -6.987 -3.174 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.413 -8.306 -3.674 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.208 -7.664 -4.815 1.00 0.00 H new ATOM 470 N GLY A 32 -2.459 -5.178 -6.005 1.00 0.00 N ATOM 471 CA GLY A 32 -1.766 -4.017 -6.538 1.00 0.00 C ATOM 472 C GLY A 32 -2.760 -2.954 -7.009 1.00 0.00 C ATOM 473 O GLY A 32 -2.541 -1.761 -6.806 1.00 0.00 O ATOM 0 H GLY A 32 -2.281 -6.048 -6.506 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.113 -3.596 -5.773 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.130 -4.319 -7.370 1.00 0.00 H new ATOM 477 N LEU A 33 -3.832 -3.426 -7.629 1.00 0.00 N ATOM 478 CA LEU A 33 -4.861 -2.530 -8.130 1.00 0.00 C ATOM 479 C LEU A 33 -5.412 -1.695 -6.973 1.00 0.00 C ATOM 480 O LEU A 33 -5.308 -0.469 -6.983 1.00 0.00 O ATOM 481 CB LEU A 33 -5.933 -3.317 -8.887 1.00 0.00 C ATOM 482 CG LEU A 33 -7.272 -2.604 -9.086 1.00 0.00 C ATOM 483 CD1 LEU A 33 -7.477 -2.222 -10.554 1.00 0.00 C ATOM 484 CD2 LEU A 33 -8.429 -3.447 -8.547 1.00 0.00 C ATOM 0 H LEU A 33 -4.010 -4.416 -7.796 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.440 -1.832 -8.854 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.536 -3.583 -9.867 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.116 -4.250 -8.353 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.254 -1.678 -8.511 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.436 -1.717 -10.668 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.676 -1.555 -10.872 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.466 -3.122 -11.169 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.369 -2.916 -8.701 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.460 -4.401 -9.073 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.284 -3.625 -7.482 1.00 0.00 H new ATOM 496 N PHE A 34 -5.987 -2.391 -6.004 1.00 0.00 N ATOM 497 CA PHE A 34 -6.555 -1.729 -4.842 1.00 0.00 C ATOM 498 C PHE A 34 -5.574 -0.712 -4.256 1.00 0.00 C ATOM 499 O PHE A 34 -5.926 0.448 -4.051 1.00 0.00 O ATOM 500 CB PHE A 34 -6.831 -2.814 -3.799 1.00 0.00 C ATOM 501 CG PHE A 34 -7.954 -2.465 -2.820 1.00 0.00 C ATOM 502 CD1 PHE A 34 -9.224 -2.296 -3.275 1.00 0.00 C ATOM 503 CD2 PHE A 34 -7.682 -2.325 -1.495 1.00 0.00 C ATOM 504 CE1 PHE A 34 -10.267 -1.972 -2.367 1.00 0.00 C ATOM 505 CE2 PHE A 34 -8.724 -2.002 -0.587 1.00 0.00 C ATOM 506 CZ PHE A 34 -9.995 -1.832 -1.042 1.00 0.00 C ATOM 0 H PHE A 34 -6.072 -3.407 -6.000 1.00 0.00 H new ATOM 0 HA PHE A 34 -7.463 -1.196 -5.124 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -7.086 -3.741 -4.313 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -5.917 -3.003 -3.235 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -9.440 -2.408 -4.327 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -6.673 -2.460 -1.134 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -11.276 -1.837 -2.729 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -8.508 -1.891 0.465 1.00 0.00 H new ATOM 0 HZ PHE A 34 -10.788 -1.586 -0.351 1.00 0.00 H new ATOM 516 N VAL A 35 -4.362 -1.185 -4.004 1.00 0.00 N ATOM 517 CA VAL A 35 -3.327 -0.331 -3.446 1.00 0.00 C ATOM 518 C VAL A 35 -3.188 0.925 -4.308 1.00 0.00 C ATOM 519 O VAL A 35 -2.997 2.022 -3.786 1.00 0.00 O ATOM 520 CB VAL A 35 -2.018 -1.113 -3.314 1.00 0.00 C ATOM 521 CG1 VAL A 35 -0.855 -0.181 -2.971 1.00 0.00 C ATOM 522 CG2 VAL A 35 -2.150 -2.231 -2.278 1.00 0.00 C ATOM 0 H VAL A 35 -4.074 -2.148 -4.176 1.00 0.00 H new ATOM 0 HA VAL A 35 -3.600 -0.007 -2.442 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.804 -1.574 -4.278 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.063 -0.762 -2.883 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.740 0.562 -3.760 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.058 0.322 -2.025 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.206 -2.771 -2.203 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.399 -1.801 -1.308 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.939 -2.919 -2.583 1.00 0.00 H new ATOM 532 N GLY A 36 -3.291 0.723 -5.613 1.00 0.00 N ATOM 533 CA GLY A 36 -3.179 1.826 -6.553 1.00 0.00 C ATOM 534 C GLY A 36 -4.424 2.714 -6.505 1.00 0.00 C ATOM 535 O GLY A 36 -4.346 3.912 -6.773 1.00 0.00 O ATOM 0 H GLY A 36 -3.451 -0.188 -6.042 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.295 2.420 -6.319 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -3.044 1.437 -7.562 1.00 0.00 H new ATOM 539 N CYS A 37 -5.543 2.092 -6.163 1.00 0.00 N ATOM 540 CA CYS A 37 -6.802 2.812 -6.077 1.00 0.00 C ATOM 541 C CYS A 37 -6.724 3.778 -4.894 1.00 0.00 C ATOM 542 O CYS A 37 -6.981 4.971 -5.044 1.00 0.00 O ATOM 543 CB CYS A 37 -7.992 1.857 -5.957 1.00 0.00 C ATOM 544 SG CYS A 37 -9.324 2.369 -7.103 1.00 0.00 S ATOM 0 H CYS A 37 -5.604 1.098 -5.942 1.00 0.00 H new ATOM 0 HA CYS A 37 -6.964 3.377 -6.995 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -7.676 0.839 -6.185 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -8.364 1.853 -4.932 1.00 0.00 H new ATOM 0 HG CYS A 37 -10.328 1.550 -6.995 1.00 0.00 H new ATOM 550 N LEU A 38 -6.368 3.226 -3.743 1.00 0.00 N ATOM 551 CA LEU A 38 -6.253 4.024 -2.534 1.00 0.00 C ATOM 552 C LEU A 38 -5.063 4.977 -2.669 1.00 0.00 C ATOM 553 O LEU A 38 -5.115 6.111 -2.196 1.00 0.00 O ATOM 554 CB LEU A 38 -6.181 3.122 -1.301 1.00 0.00 C ATOM 555 CG LEU A 38 -4.791 2.604 -0.929 1.00 0.00 C ATOM 556 CD1 LEU A 38 -4.049 3.609 -0.046 1.00 0.00 C ATOM 557 CD2 LEU A 38 -4.877 1.222 -0.277 1.00 0.00 C ATOM 0 H LEU A 38 -6.155 2.236 -3.622 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.142 4.640 -2.398 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.582 3.672 -0.449 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.835 2.265 -1.464 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.212 2.492 -1.846 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.064 3.216 0.204 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.938 4.552 -0.582 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.616 3.777 0.870 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.875 0.877 -0.022 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.481 1.284 0.629 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.337 0.520 -0.972 1.00 0.00 H new ATOM 569 N ALA A 39 -4.020 4.481 -3.317 1.00 0.00 N ATOM 570 CA ALA A 39 -2.819 5.274 -3.520 1.00 0.00 C ATOM 571 C ALA A 39 -3.180 6.554 -4.277 1.00 0.00 C ATOM 572 O ALA A 39 -2.717 7.638 -3.927 1.00 0.00 O ATOM 573 CB ALA A 39 -1.772 4.436 -4.256 1.00 0.00 C ATOM 0 H ALA A 39 -3.981 3.540 -3.709 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.387 5.568 -2.563 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.871 5.031 -4.408 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.529 3.555 -3.663 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.169 4.125 -5.222 1.00 0.00 H new ATOM 579 N GLY A 40 -4.003 6.384 -5.302 1.00 0.00 N ATOM 580 CA GLY A 40 -4.431 7.512 -6.112 1.00 0.00 C ATOM 581 C GLY A 40 -5.402 8.406 -5.337 1.00 0.00 C ATOM 582 O GLY A 40 -5.185 9.612 -5.225 1.00 0.00 O ATOM 0 H GLY A 40 -4.384 5.483 -5.590 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.562 8.094 -6.420 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.911 7.150 -7.021 1.00 0.00 H new ATOM 768 N ASP A 52 3.899 10.295 -3.901 1.00 0.00 N ATOM 769 CA ASP A 52 2.933 9.950 -4.930 1.00 0.00 C ATOM 770 C ASP A 52 3.421 8.713 -5.686 1.00 0.00 C ATOM 771 O ASP A 52 2.794 7.656 -5.625 1.00 0.00 O ATOM 772 CB ASP A 52 2.773 11.089 -5.939 1.00 0.00 C ATOM 773 CG ASP A 52 1.348 11.301 -6.454 1.00 0.00 C ATOM 774 OD1 ASP A 52 0.908 10.376 -7.238 1.00 0.00 O ATOM 775 OD2 ASP A 52 0.692 12.300 -6.124 1.00 0.00 O ATOM 0 HA ASP A 52 1.975 9.761 -4.445 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.118 12.014 -5.477 1.00 0.00 H new ATOM 0 HB3 ASP A 52 3.426 10.895 -6.790 1.00 0.00 H new ATOM 780 N VAL A 53 4.535 8.885 -6.382 1.00 0.00 N ATOM 781 CA VAL A 53 5.114 7.795 -7.149 1.00 0.00 C ATOM 782 C VAL A 53 6.069 7.000 -6.257 1.00 0.00 C ATOM 783 O VAL A 53 6.306 5.817 -6.495 1.00 0.00 O ATOM 784 CB VAL A 53 5.789 8.343 -8.408 1.00 0.00 C ATOM 785 CG1 VAL A 53 6.268 7.205 -9.313 1.00 0.00 C ATOM 786 CG2 VAL A 53 4.854 9.288 -9.165 1.00 0.00 C ATOM 0 H VAL A 53 5.052 9.763 -6.431 1.00 0.00 H new ATOM 0 HA VAL A 53 4.336 7.109 -7.485 1.00 0.00 H new ATOM 0 HB VAL A 53 6.663 8.915 -8.097 1.00 0.00 H new ATOM 0 HG11 VAL A 53 6.744 7.622 -10.201 1.00 0.00 H new ATOM 0 HG12 VAL A 53 6.986 6.588 -8.772 1.00 0.00 H new ATOM 0 HG13 VAL A 53 5.416 6.594 -9.611 1.00 0.00 H new ATOM 0 HG21 VAL A 53 5.359 9.663 -10.055 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.952 8.750 -9.458 1.00 0.00 H new ATOM 0 HG23 VAL A 53 4.584 10.125 -8.521 1.00 0.00 H new ATOM 796 N LYS A 54 6.592 7.682 -5.248 1.00 0.00 N ATOM 797 CA LYS A 54 7.515 7.054 -4.319 1.00 0.00 C ATOM 798 C LYS A 54 6.804 5.910 -3.593 1.00 0.00 C ATOM 799 O LYS A 54 7.374 4.836 -3.410 1.00 0.00 O ATOM 800 CB LYS A 54 8.121 8.097 -3.378 1.00 0.00 C ATOM 801 CG LYS A 54 9.627 8.237 -3.610 1.00 0.00 C ATOM 802 CD LYS A 54 10.107 9.647 -3.262 1.00 0.00 C ATOM 803 CE LYS A 54 10.734 10.329 -4.479 1.00 0.00 C ATOM 804 NZ LYS A 54 10.440 11.780 -4.469 1.00 0.00 N ATOM 0 H LYS A 54 6.394 8.664 -5.054 1.00 0.00 H new ATOM 0 HA LYS A 54 8.356 6.616 -4.856 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.634 9.060 -3.535 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.934 7.810 -2.343 1.00 0.00 H new ATOM 0 HG2 LYS A 54 10.161 7.507 -3.002 1.00 0.00 H new ATOM 0 HG3 LYS A 54 9.860 8.016 -4.652 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.268 10.241 -2.900 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.836 9.598 -2.453 1.00 0.00 H new ATOM 0 HE2 LYS A 54 11.812 10.170 -4.477 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.348 9.880 -5.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.873 12.228 -5.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.411 11.926 -4.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.830 12.207 -3.605 1.00 0.00 H new ATOM 818 N VAL A 55 5.568 6.181 -3.199 1.00 0.00 N ATOM 819 CA VAL A 55 4.772 5.188 -2.498 1.00 0.00 C ATOM 820 C VAL A 55 4.341 4.098 -3.481 1.00 0.00 C ATOM 821 O VAL A 55 4.288 2.921 -3.126 1.00 0.00 O ATOM 822 CB VAL A 55 3.591 5.863 -1.798 1.00 0.00 C ATOM 823 CG1 VAL A 55 2.625 6.472 -2.817 1.00 0.00 C ATOM 824 CG2 VAL A 55 2.866 4.882 -0.875 1.00 0.00 C ATOM 0 H VAL A 55 5.099 7.074 -3.352 1.00 0.00 H new ATOM 0 HA VAL A 55 5.363 4.707 -1.719 1.00 0.00 H new ATOM 0 HB VAL A 55 3.985 6.672 -1.183 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.795 6.945 -2.293 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.149 7.217 -3.415 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.242 5.687 -3.470 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.031 5.388 -0.390 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.491 4.042 -1.459 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.558 4.516 -0.117 1.00 0.00 H new ATOM 834 N SER A 56 4.044 4.528 -4.699 1.00 0.00 N ATOM 835 CA SER A 56 3.619 3.603 -5.736 1.00 0.00 C ATOM 836 C SER A 56 4.639 2.472 -5.878 1.00 0.00 C ATOM 837 O SER A 56 4.303 1.302 -5.700 1.00 0.00 O ATOM 838 CB SER A 56 3.435 4.323 -7.073 1.00 0.00 C ATOM 839 OG SER A 56 2.291 3.851 -7.780 1.00 0.00 O ATOM 0 H SER A 56 4.089 5.504 -4.991 1.00 0.00 H new ATOM 0 HA SER A 56 2.657 3.181 -5.446 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.336 5.394 -6.897 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.325 4.181 -7.687 1.00 0.00 H new ATOM 0 HG SER A 56 2.442 3.942 -8.744 1.00 0.00 H new ATOM 845 N LEU A 57 5.865 2.860 -6.198 1.00 0.00 N ATOM 846 CA LEU A 57 6.936 1.893 -6.366 1.00 0.00 C ATOM 847 C LEU A 57 7.261 1.258 -5.013 1.00 0.00 C ATOM 848 O LEU A 57 7.079 0.056 -4.828 1.00 0.00 O ATOM 849 CB LEU A 57 8.143 2.543 -7.046 1.00 0.00 C ATOM 850 CG LEU A 57 9.361 1.642 -7.255 1.00 0.00 C ATOM 851 CD1 LEU A 57 9.865 1.727 -8.697 1.00 0.00 C ATOM 852 CD2 LEU A 57 10.462 1.964 -6.243 1.00 0.00 C ATOM 0 H LEU A 57 6.140 3.831 -6.345 1.00 0.00 H new ATOM 0 HA LEU A 57 6.621 1.087 -7.029 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.826 2.923 -8.017 1.00 0.00 H new ATOM 0 HB3 LEU A 57 8.450 3.403 -6.451 1.00 0.00 H new ATOM 0 HG LEU A 57 9.056 0.610 -7.081 1.00 0.00 H new ATOM 0 HD11 LEU A 57 10.731 1.077 -8.819 1.00 0.00 H new ATOM 0 HD12 LEU A 57 9.075 1.410 -9.378 1.00 0.00 H new ATOM 0 HD13 LEU A 57 10.148 2.755 -8.923 1.00 0.00 H new ATOM 0 HD21 LEU A 57 11.316 1.309 -6.414 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.772 3.002 -6.360 1.00 0.00 H new ATOM 0 HD23 LEU A 57 10.084 1.810 -5.232 1.00 0.00 H new ATOM 864 N PHE A 58 7.737 2.094 -4.102 1.00 0.00 N ATOM 865 CA PHE A 58 8.089 1.629 -2.771 1.00 0.00 C ATOM 866 C PHE A 58 7.104 0.564 -2.284 1.00 0.00 C ATOM 867 O PHE A 58 7.501 -0.407 -1.641 1.00 0.00 O ATOM 868 CB PHE A 58 8.014 2.840 -1.839 1.00 0.00 C ATOM 869 CG PHE A 58 8.319 2.519 -0.375 1.00 0.00 C ATOM 870 CD1 PHE A 58 9.605 2.339 0.029 1.00 0.00 C ATOM 871 CD2 PHE A 58 7.303 2.413 0.524 1.00 0.00 C ATOM 872 CE1 PHE A 58 9.888 2.041 1.388 1.00 0.00 C ATOM 873 CE2 PHE A 58 7.586 2.115 1.883 1.00 0.00 C ATOM 874 CZ PHE A 58 8.872 1.935 2.286 1.00 0.00 C ATOM 0 H PHE A 58 7.887 3.091 -4.259 1.00 0.00 H new ATOM 0 HA PHE A 58 9.085 1.186 -2.783 1.00 0.00 H new ATOM 0 HB2 PHE A 58 8.716 3.598 -2.188 1.00 0.00 H new ATOM 0 HB3 PHE A 58 7.017 3.275 -1.905 1.00 0.00 H new ATOM 0 HD1 PHE A 58 10.412 2.423 -0.684 1.00 0.00 H new ATOM 0 HD2 PHE A 58 6.281 2.556 0.204 1.00 0.00 H new ATOM 0 HE1 PHE A 58 10.909 1.899 1.709 1.00 0.00 H new ATOM 0 HE2 PHE A 58 6.780 2.031 2.597 1.00 0.00 H new ATOM 0 HZ PHE A 58 9.087 1.708 3.320 1.00 0.00 H new ATOM 884 N THR A 59 5.838 0.782 -2.608 1.00 0.00 N ATOM 885 CA THR A 59 4.793 -0.147 -2.212 1.00 0.00 C ATOM 886 C THR A 59 4.911 -1.451 -3.003 1.00 0.00 C ATOM 887 O THR A 59 5.107 -2.518 -2.422 1.00 0.00 O ATOM 888 CB THR A 59 3.445 0.553 -2.392 1.00 0.00 C ATOM 889 OG1 THR A 59 3.427 1.542 -1.366 1.00 0.00 O ATOM 890 CG2 THR A 59 2.263 -0.357 -2.053 1.00 0.00 C ATOM 0 H THR A 59 5.512 1.589 -3.140 1.00 0.00 H new ATOM 0 HA THR A 59 4.891 -0.429 -1.164 1.00 0.00 H new ATOM 0 HB THR A 59 3.352 0.901 -3.421 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.956 2.317 -1.649 1.00 0.00 H new ATOM 0 HG21 THR A 59 1.331 0.189 -2.198 1.00 0.00 H new ATOM 0 HG22 THR A 59 2.277 -1.230 -2.705 1.00 0.00 H new ATOM 0 HG23 THR A 59 2.338 -0.679 -1.014 1.00 0.00 H new ATOM 898 N ALA A 60 4.787 -1.323 -4.316 1.00 0.00 N ATOM 899 CA ALA A 60 4.877 -2.479 -5.192 1.00 0.00 C ATOM 900 C ALA A 60 6.006 -3.392 -4.710 1.00 0.00 C ATOM 901 O ALA A 60 5.852 -4.612 -4.678 1.00 0.00 O ATOM 902 CB ALA A 60 5.081 -2.011 -6.634 1.00 0.00 C ATOM 0 H ALA A 60 4.625 -0.437 -4.794 1.00 0.00 H new ATOM 0 HA ALA A 60 3.952 -3.055 -5.164 1.00 0.00 H new ATOM 0 HB1 ALA A 60 5.149 -2.878 -7.292 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.238 -1.390 -6.938 1.00 0.00 H new ATOM 0 HB3 ALA A 60 6.002 -1.432 -6.702 1.00 0.00 H new ATOM 908 N PHE A 61 7.116 -2.766 -4.348 1.00 0.00 N ATOM 909 CA PHE A 61 8.271 -3.507 -3.869 1.00 0.00 C ATOM 910 C PHE A 61 7.999 -4.117 -2.493 1.00 0.00 C ATOM 911 O PHE A 61 8.353 -5.268 -2.239 1.00 0.00 O ATOM 912 CB PHE A 61 9.425 -2.510 -3.753 1.00 0.00 C ATOM 913 CG PHE A 61 10.425 -2.578 -4.909 1.00 0.00 C ATOM 914 CD1 PHE A 61 10.172 -1.911 -6.067 1.00 0.00 C ATOM 915 CD2 PHE A 61 11.567 -3.306 -4.779 1.00 0.00 C ATOM 916 CE1 PHE A 61 11.100 -1.974 -7.140 1.00 0.00 C ATOM 917 CE2 PHE A 61 12.495 -3.369 -5.852 1.00 0.00 C ATOM 918 CZ PHE A 61 12.242 -2.701 -7.010 1.00 0.00 C ATOM 0 H PHE A 61 7.240 -1.754 -4.377 1.00 0.00 H new ATOM 0 HA PHE A 61 8.503 -4.320 -4.557 1.00 0.00 H new ATOM 0 HB2 PHE A 61 9.016 -1.501 -3.699 1.00 0.00 H new ATOM 0 HB3 PHE A 61 9.954 -2.690 -2.817 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.265 -1.333 -6.170 1.00 0.00 H new ATOM 0 HD2 PHE A 61 11.768 -3.836 -3.860 1.00 0.00 H new ATOM 0 HE1 PHE A 61 10.899 -1.444 -8.060 1.00 0.00 H new ATOM 0 HE2 PHE A 61 13.401 -3.947 -5.749 1.00 0.00 H new ATOM 0 HZ PHE A 61 12.948 -2.748 -7.826 1.00 0.00 H new ATOM 928 N PHE A 62 7.373 -3.319 -1.640 1.00 0.00 N ATOM 929 CA PHE A 62 7.049 -3.766 -0.296 1.00 0.00 C ATOM 930 C PHE A 62 6.066 -4.938 -0.330 1.00 0.00 C ATOM 931 O PHE A 62 6.393 -6.040 0.110 1.00 0.00 O ATOM 932 CB PHE A 62 6.392 -2.586 0.422 1.00 0.00 C ATOM 933 CG PHE A 62 7.024 -2.250 1.774 1.00 0.00 C ATOM 934 CD1 PHE A 62 8.357 -1.995 1.857 1.00 0.00 C ATOM 935 CD2 PHE A 62 6.252 -2.205 2.893 1.00 0.00 C ATOM 936 CE1 PHE A 62 8.944 -1.684 3.112 1.00 0.00 C ATOM 937 CE2 PHE A 62 6.839 -1.894 4.148 1.00 0.00 C ATOM 938 CZ PHE A 62 8.172 -1.639 4.231 1.00 0.00 C ATOM 0 H PHE A 62 7.082 -2.365 -1.854 1.00 0.00 H new ATOM 0 HA PHE A 62 7.953 -4.100 0.213 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.446 -1.707 -0.221 1.00 0.00 H new ATOM 0 HB3 PHE A 62 5.335 -2.808 0.572 1.00 0.00 H new ATOM 0 HD1 PHE A 62 8.970 -2.029 0.968 1.00 0.00 H new ATOM 0 HD2 PHE A 62 5.193 -2.406 2.827 1.00 0.00 H new ATOM 0 HE1 PHE A 62 10.003 -1.483 3.178 1.00 0.00 H new ATOM 0 HE2 PHE A 62 6.226 -1.860 5.037 1.00 0.00 H new ATOM 0 HZ PHE A 62 8.618 -1.401 5.185 1.00 0.00 H new ATOM 948 N LEU A 63 4.882 -4.662 -0.856 1.00 0.00 N ATOM 949 CA LEU A 63 3.850 -5.679 -0.953 1.00 0.00 C ATOM 950 C LEU A 63 4.416 -6.907 -1.669 1.00 0.00 C ATOM 951 O LEU A 63 4.140 -8.040 -1.278 1.00 0.00 O ATOM 952 CB LEU A 63 2.594 -5.107 -1.613 1.00 0.00 C ATOM 953 CG LEU A 63 1.308 -5.185 -0.788 1.00 0.00 C ATOM 954 CD1 LEU A 63 0.500 -3.892 -0.908 1.00 0.00 C ATOM 955 CD2 LEU A 63 0.482 -6.415 -1.174 1.00 0.00 C ATOM 0 H LEU A 63 4.614 -3.747 -1.220 1.00 0.00 H new ATOM 0 HA LEU A 63 3.540 -6.003 0.041 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.781 -4.062 -1.860 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.431 -5.632 -2.554 1.00 0.00 H new ATOM 0 HG LEU A 63 1.582 -5.297 0.261 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.409 -3.974 -0.312 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.097 -3.055 -0.546 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.235 -3.724 -1.952 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.427 -6.446 -0.573 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.217 -6.358 -2.230 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.067 -7.317 -0.995 1.00 0.00 H new ATOM 967 N ALA A 64 5.197 -6.640 -2.705 1.00 0.00 N ATOM 968 CA ALA A 64 5.805 -7.709 -3.480 1.00 0.00 C ATOM 969 C ALA A 64 6.565 -8.646 -2.539 1.00 0.00 C ATOM 970 O ALA A 64 6.333 -9.854 -2.539 1.00 0.00 O ATOM 971 CB ALA A 64 6.707 -7.109 -4.559 1.00 0.00 C ATOM 0 H ALA A 64 5.423 -5.699 -3.026 1.00 0.00 H new ATOM 0 HA ALA A 64 5.041 -8.299 -3.986 1.00 0.00 H new ATOM 0 HB1 ALA A 64 7.163 -7.911 -5.140 1.00 0.00 H new ATOM 0 HB2 ALA A 64 6.114 -6.475 -5.218 1.00 0.00 H new ATOM 0 HB3 ALA A 64 7.489 -6.512 -4.089 1.00 0.00 H new ATOM 977 N THR A 65 7.457 -8.054 -1.759 1.00 0.00 N ATOM 978 CA THR A 65 8.253 -8.821 -0.815 1.00 0.00 C ATOM 979 C THR A 65 7.351 -9.484 0.227 1.00 0.00 C ATOM 980 O THR A 65 7.335 -10.708 0.351 1.00 0.00 O ATOM 981 CB THR A 65 9.298 -7.883 -0.207 1.00 0.00 C ATOM 982 OG1 THR A 65 10.365 -7.893 -1.151 1.00 0.00 O ATOM 983 CG2 THR A 65 9.923 -8.453 1.068 1.00 0.00 C ATOM 0 H THR A 65 7.647 -7.052 -1.761 1.00 0.00 H new ATOM 0 HA THR A 65 8.778 -9.638 -1.311 1.00 0.00 H new ATOM 0 HB THR A 65 8.838 -6.920 0.013 1.00 0.00 H new ATOM 0 HG1 THR A 65 11.086 -7.308 -0.836 1.00 0.00 H new ATOM 0 HG21 THR A 65 10.657 -7.749 1.459 1.00 0.00 H new ATOM 0 HG22 THR A 65 9.144 -8.617 1.813 1.00 0.00 H new ATOM 0 HG23 THR A 65 10.413 -9.400 0.841 1.00 0.00 H new ATOM 991 N ILE A 66 6.621 -8.647 0.950 1.00 0.00 N ATOM 992 CA ILE A 66 5.719 -9.137 1.978 1.00 0.00 C ATOM 993 C ILE A 66 5.021 -10.402 1.477 1.00 0.00 C ATOM 994 O ILE A 66 5.001 -11.420 2.168 1.00 0.00 O ATOM 995 CB ILE A 66 4.753 -8.033 2.414 1.00 0.00 C ATOM 996 CG1 ILE A 66 5.499 -6.899 3.120 1.00 0.00 C ATOM 997 CG2 ILE A 66 3.625 -8.601 3.277 1.00 0.00 C ATOM 998 CD1 ILE A 66 5.796 -7.261 4.577 1.00 0.00 C ATOM 0 H ILE A 66 6.636 -7.633 0.844 1.00 0.00 H new ATOM 0 HA ILE A 66 6.276 -9.413 2.873 1.00 0.00 H new ATOM 0 HB ILE A 66 4.293 -7.609 1.521 1.00 0.00 H new ATOM 0 HG12 ILE A 66 6.432 -6.691 2.596 1.00 0.00 H new ATOM 0 HG13 ILE A 66 4.902 -5.988 3.082 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.953 -7.796 3.573 1.00 0.00 H new ATOM 0 HG22 ILE A 66 3.070 -9.346 2.706 1.00 0.00 H new ATOM 0 HG23 ILE A 66 4.047 -9.067 4.167 1.00 0.00 H new ATOM 0 HD11 ILE A 66 6.327 -6.438 5.055 1.00 0.00 H new ATOM 0 HD12 ILE A 66 4.860 -7.445 5.104 1.00 0.00 H new ATOM 0 HD13 ILE A 66 6.413 -8.159 4.610 1.00 0.00 H new ATOM 1010 N MET A 67 4.464 -10.297 0.279 1.00 0.00 N ATOM 1011 CA MET A 67 3.766 -11.421 -0.322 1.00 0.00 C ATOM 1012 C MET A 67 4.702 -12.619 -0.496 1.00 0.00 C ATOM 1013 O MET A 67 4.494 -13.668 0.111 1.00 0.00 O ATOM 1014 CB MET A 67 3.210 -11.006 -1.686 1.00 0.00 C ATOM 1015 CG MET A 67 2.072 -9.995 -1.529 1.00 0.00 C ATOM 1016 SD MET A 67 0.572 -10.650 -2.241 1.00 0.00 S ATOM 1017 CE MET A 67 0.304 -9.462 -3.546 1.00 0.00 C ATOM 0 H MET A 67 4.482 -9.451 -0.291 1.00 0.00 H new ATOM 0 HA MET A 67 2.951 -11.714 0.340 1.00 0.00 H new ATOM 0 HB2 MET A 67 4.006 -10.572 -2.291 1.00 0.00 H new ATOM 0 HB3 MET A 67 2.849 -11.886 -2.219 1.00 0.00 H new ATOM 0 HG2 MET A 67 1.916 -9.771 -0.474 1.00 0.00 H new ATOM 0 HG3 MET A 67 2.337 -9.057 -2.018 1.00 0.00 H new ATOM 0 HE1 MET A 67 -0.491 -9.816 -4.203 1.00 0.00 H new ATOM 0 HE2 MET A 67 0.017 -8.504 -3.113 1.00 0.00 H new ATOM 0 HE3 MET A 67 1.222 -9.339 -4.121 1.00 0.00 H new ATOM 1027 N GLY A 68 5.715 -12.422 -1.328 1.00 0.00 N ATOM 1028 CA GLY A 68 6.684 -13.473 -1.589 1.00 0.00 C ATOM 1029 C GLY A 68 6.198 -14.401 -2.704 1.00 0.00 C ATOM 1030 O GLY A 68 6.449 -15.605 -2.667 1.00 0.00 O ATOM 0 H GLY A 68 5.885 -11.550 -1.830 1.00 0.00 H new ATOM 0 HA2 GLY A 68 7.640 -13.030 -1.870 1.00 0.00 H new ATOM 0 HA3 GLY A 68 6.855 -14.049 -0.680 1.00 0.00 H new ATOM 1245 N ALA A 80 0.870 -9.034 -11.116 1.00 0.00 N ATOM 1246 CA ALA A 80 0.775 -8.211 -12.310 1.00 0.00 C ATOM 1247 C ALA A 80 0.215 -6.838 -11.935 1.00 0.00 C ATOM 1248 O ALA A 80 0.752 -5.811 -12.346 1.00 0.00 O ATOM 1249 CB ALA A 80 -0.084 -8.926 -13.355 1.00 0.00 C ATOM 0 HA ALA A 80 1.761 -8.056 -12.749 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -0.156 -8.309 -14.251 1.00 0.00 H new ATOM 0 HB2 ALA A 80 0.373 -9.883 -13.609 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -1.082 -9.096 -12.951 1.00 0.00 H new ATOM 1255 N GLY A 81 -0.858 -6.864 -11.158 1.00 0.00 N ATOM 1256 CA GLY A 81 -1.497 -5.633 -10.724 1.00 0.00 C ATOM 1257 C GLY A 81 -0.580 -4.840 -9.791 1.00 0.00 C ATOM 1258 O GLY A 81 -0.830 -3.666 -9.520 1.00 0.00 O ATOM 0 H GLY A 81 -1.301 -7.718 -10.818 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -1.752 -5.025 -11.592 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.431 -5.865 -10.212 1.00 0.00 H new ATOM 1262 N LEU A 82 0.462 -5.512 -9.324 1.00 0.00 N ATOM 1263 CA LEU A 82 1.417 -4.884 -8.427 1.00 0.00 C ATOM 1264 C LEU A 82 2.096 -3.718 -9.148 1.00 0.00 C ATOM 1265 O LEU A 82 1.750 -2.559 -8.923 1.00 0.00 O ATOM 1266 CB LEU A 82 2.398 -5.922 -7.877 1.00 0.00 C ATOM 1267 CG LEU A 82 3.485 -5.388 -6.943 1.00 0.00 C ATOM 1268 CD1 LEU A 82 3.349 -5.989 -5.543 1.00 0.00 C ATOM 1269 CD2 LEU A 82 4.878 -5.620 -7.533 1.00 0.00 C ATOM 0 H LEU A 82 0.666 -6.486 -9.550 1.00 0.00 H new ATOM 0 HA LEU A 82 0.907 -4.469 -7.558 1.00 0.00 H new ATOM 0 HB2 LEU A 82 1.829 -6.683 -7.343 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.881 -6.418 -8.719 1.00 0.00 H new ATOM 0 HG LEU A 82 3.352 -4.311 -6.845 1.00 0.00 H new ATOM 0 HD11 LEU A 82 4.134 -5.593 -4.899 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.375 -5.730 -5.129 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.441 -7.073 -5.602 1.00 0.00 H new ATOM 0 HD21 LEU A 82 5.632 -5.231 -6.849 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.038 -6.688 -7.680 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.958 -5.106 -8.491 1.00 0.00 H new ATOM 1281 N VAL A 83 3.050 -4.064 -9.999 1.00 0.00 N ATOM 1282 CA VAL A 83 3.781 -3.060 -10.754 1.00 0.00 C ATOM 1283 C VAL A 83 2.824 -2.357 -11.718 1.00 0.00 C ATOM 1284 O VAL A 83 2.920 -1.148 -11.923 1.00 0.00 O ATOM 1285 CB VAL A 83 4.976 -3.704 -11.460 1.00 0.00 C ATOM 1286 CG1 VAL A 83 6.141 -3.909 -10.490 1.00 0.00 C ATOM 1287 CG2 VAL A 83 4.575 -5.023 -12.123 1.00 0.00 C ATOM 0 H VAL A 83 3.334 -5.026 -10.183 1.00 0.00 H new ATOM 0 HA VAL A 83 4.186 -2.300 -10.087 1.00 0.00 H new ATOM 0 HB VAL A 83 5.309 -3.023 -12.243 1.00 0.00 H new ATOM 0 HG11 VAL A 83 6.977 -4.368 -11.017 1.00 0.00 H new ATOM 0 HG12 VAL A 83 6.452 -2.946 -10.086 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.825 -4.560 -9.674 1.00 0.00 H new ATOM 0 HG21 VAL A 83 5.442 -5.460 -12.618 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.203 -5.713 -11.365 1.00 0.00 H new ATOM 0 HG23 VAL A 83 3.793 -4.837 -12.859 1.00 0.00 H new ATOM 1297 N ALA A 84 1.921 -3.144 -12.285 1.00 0.00 N ATOM 1298 CA ALA A 84 0.947 -2.612 -13.223 1.00 0.00 C ATOM 1299 C ALA A 84 0.099 -1.549 -12.523 1.00 0.00 C ATOM 1300 O ALA A 84 -0.365 -0.603 -13.157 1.00 0.00 O ATOM 1301 CB ALA A 84 0.101 -3.757 -13.784 1.00 0.00 C ATOM 0 H ALA A 84 1.844 -4.146 -12.113 1.00 0.00 H new ATOM 0 HA ALA A 84 1.447 -2.133 -14.065 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -0.630 -3.358 -14.488 1.00 0.00 H new ATOM 0 HB2 ALA A 84 0.747 -4.470 -14.297 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -0.418 -4.260 -12.968 1.00 0.00 H new ATOM 1307 N GLY A 85 -0.077 -1.739 -11.223 1.00 0.00 N ATOM 1308 CA GLY A 85 -0.861 -0.808 -10.430 1.00 0.00 C ATOM 1309 C GLY A 85 -0.063 0.462 -10.128 1.00 0.00 C ATOM 1310 O GLY A 85 -0.568 1.571 -10.297 1.00 0.00 O ATOM 0 H GLY A 85 0.310 -2.524 -10.700 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.775 -0.549 -10.965 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -1.162 -1.283 -9.496 1.00 0.00 H new ATOM 1314 N LEU A 86 1.170 0.258 -9.688 1.00 0.00 N ATOM 1315 CA LEU A 86 2.042 1.373 -9.361 1.00 0.00 C ATOM 1316 C LEU A 86 2.165 2.292 -10.578 1.00 0.00 C ATOM 1317 O LEU A 86 2.224 3.513 -10.435 1.00 0.00 O ATOM 1318 CB LEU A 86 3.387 0.865 -8.836 1.00 0.00 C ATOM 1319 CG LEU A 86 4.585 1.051 -9.770 1.00 0.00 C ATOM 1320 CD1 LEU A 86 5.183 2.451 -9.623 1.00 0.00 C ATOM 1321 CD2 LEU A 86 5.629 -0.045 -9.546 1.00 0.00 C ATOM 0 H LEU A 86 1.586 -0.663 -9.550 1.00 0.00 H new ATOM 0 HA LEU A 86 1.614 1.967 -8.554 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.603 1.372 -7.896 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.289 -0.197 -8.610 1.00 0.00 H new ATOM 0 HG LEU A 86 4.235 0.958 -10.798 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.033 2.556 -10.298 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.428 3.197 -9.871 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.515 2.599 -8.595 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.470 0.110 -10.222 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.980 -0.007 -8.515 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.181 -1.019 -9.741 1.00 0.00 H new ATOM 1333 N SER A 87 2.199 1.671 -11.748 1.00 0.00 N ATOM 1334 CA SER A 87 2.313 2.419 -12.989 1.00 0.00 C ATOM 1335 C SER A 87 1.000 3.145 -13.285 1.00 0.00 C ATOM 1336 O SER A 87 0.996 4.348 -13.542 1.00 0.00 O ATOM 1337 CB SER A 87 2.686 1.499 -14.153 1.00 0.00 C ATOM 1338 OG SER A 87 4.000 0.967 -14.014 1.00 0.00 O ATOM 0 H SER A 87 2.150 0.659 -11.863 1.00 0.00 H new ATOM 0 HA SER A 87 3.109 3.155 -12.874 1.00 0.00 H new ATOM 0 HB2 SER A 87 1.968 0.681 -14.213 1.00 0.00 H new ATOM 0 HB3 SER A 87 2.616 2.053 -15.089 1.00 0.00 H new ATOM 0 HG SER A 87 3.982 0.208 -13.395 1.00 0.00 H new ATOM 1344 N LEU A 88 -0.084 2.384 -13.239 1.00 0.00 N ATOM 1345 CA LEU A 88 -1.400 2.940 -13.500 1.00 0.00 C ATOM 1346 C LEU A 88 -1.658 4.102 -12.538 1.00 0.00 C ATOM 1347 O LEU A 88 -2.463 4.986 -12.828 1.00 0.00 O ATOM 1348 CB LEU A 88 -2.466 1.845 -13.440 1.00 0.00 C ATOM 1349 CG LEU A 88 -3.374 1.724 -14.665 1.00 0.00 C ATOM 1350 CD1 LEU A 88 -4.207 2.993 -14.858 1.00 0.00 C ATOM 1351 CD2 LEU A 88 -2.564 1.375 -15.915 1.00 0.00 C ATOM 0 H LEU A 88 -0.077 1.387 -13.025 1.00 0.00 H new ATOM 0 HA LEU A 88 -1.448 3.345 -14.511 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.967 0.888 -13.287 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.091 2.022 -12.565 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.071 0.904 -14.493 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -4.844 2.880 -15.736 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.828 3.158 -13.978 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.543 3.846 -14.998 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.233 1.295 -16.772 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.828 2.157 -16.102 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.053 0.424 -15.764 1.00 0.00 H new ATOM 1363 N MET A 89 -0.959 4.063 -11.413 1.00 0.00 N ATOM 1364 CA MET A 89 -1.102 5.102 -10.407 1.00 0.00 C ATOM 1365 C MET A 89 -0.306 6.351 -10.791 1.00 0.00 C ATOM 1366 O MET A 89 -0.887 7.382 -11.127 1.00 0.00 O ATOM 1367 CB MET A 89 -0.608 4.577 -9.057 1.00 0.00 C ATOM 1368 CG MET A 89 -1.573 4.958 -7.934 1.00 0.00 C ATOM 1369 SD MET A 89 -0.799 6.134 -6.836 1.00 0.00 S ATOM 1370 CE MET A 89 -0.845 7.593 -7.863 1.00 0.00 C ATOM 0 H MET A 89 -0.292 3.328 -11.176 1.00 0.00 H new ATOM 0 HA MET A 89 -2.156 5.372 -10.339 1.00 0.00 H new ATOM 0 HB2 MET A 89 -0.505 3.493 -9.100 1.00 0.00 H new ATOM 0 HB3 MET A 89 0.381 4.983 -8.845 1.00 0.00 H new ATOM 0 HG2 MET A 89 -2.483 5.385 -8.355 1.00 0.00 H new ATOM 0 HG3 MET A 89 -1.867 4.068 -7.378 1.00 0.00 H new ATOM 0 HE1 MET A 89 -1.043 8.468 -7.244 1.00 0.00 H new ATOM 0 HE2 MET A 89 0.114 7.714 -8.366 1.00 0.00 H new ATOM 0 HE3 MET A 89 -1.634 7.489 -8.607 1.00 0.00 H new ATOM 1380 N MET A 90 1.010 6.217 -10.729 1.00 0.00 N ATOM 1381 CA MET A 90 1.891 7.322 -11.067 1.00 0.00 C ATOM 1382 C MET A 90 1.493 7.952 -12.403 1.00 0.00 C ATOM 1383 O MET A 90 1.785 9.121 -12.653 1.00 0.00 O ATOM 1384 CB MET A 90 3.334 6.818 -11.150 1.00 0.00 C ATOM 1385 CG MET A 90 3.539 5.945 -12.389 1.00 0.00 C ATOM 1386 SD MET A 90 4.564 6.800 -13.575 1.00 0.00 S ATOM 1387 CE MET A 90 5.658 5.473 -14.053 1.00 0.00 C ATOM 0 H MET A 90 1.488 5.360 -10.450 1.00 0.00 H new ATOM 0 HA MET A 90 1.806 8.081 -10.289 1.00 0.00 H new ATOM 0 HB2 MET A 90 4.018 7.666 -11.181 1.00 0.00 H new ATOM 0 HB3 MET A 90 3.575 6.246 -10.254 1.00 0.00 H new ATOM 0 HG2 MET A 90 4.006 5.001 -12.106 1.00 0.00 H new ATOM 0 HG3 MET A 90 2.575 5.702 -12.837 1.00 0.00 H new ATOM 0 HE1 MET A 90 6.369 5.837 -14.795 1.00 0.00 H new ATOM 0 HE2 MET A 90 6.199 5.114 -13.177 1.00 0.00 H new ATOM 0 HE3 MET A 90 5.075 4.656 -14.479 1.00 0.00 H new ATOM 1397 N ILE A 91 0.833 7.151 -13.226 1.00 0.00 N ATOM 1398 CA ILE A 91 0.392 7.616 -14.530 1.00 0.00 C ATOM 1399 C ILE A 91 -0.984 8.271 -14.394 1.00 0.00 C ATOM 1400 O ILE A 91 -1.235 9.322 -14.981 1.00 0.00 O ATOM 1401 CB ILE A 91 0.431 6.474 -15.547 1.00 0.00 C ATOM 1402 CG1 ILE A 91 0.839 6.985 -16.930 1.00 0.00 C ATOM 1403 CG2 ILE A 91 -0.903 5.726 -15.583 1.00 0.00 C ATOM 1404 CD1 ILE A 91 2.055 6.222 -17.460 1.00 0.00 C ATOM 0 H ILE A 91 0.593 6.182 -13.015 1.00 0.00 H new ATOM 0 HA ILE A 91 1.072 8.377 -14.913 1.00 0.00 H new ATOM 0 HB ILE A 91 1.192 5.761 -15.230 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.005 6.874 -17.623 1.00 0.00 H new ATOM 0 HG13 ILE A 91 1.068 8.049 -16.875 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -0.848 4.919 -16.314 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -1.113 5.309 -14.598 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.699 6.416 -15.863 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.324 6.605 -18.444 1.00 0.00 H new ATOM 0 HD12 ILE A 91 2.894 6.355 -16.777 1.00 0.00 H new ATOM 0 HD13 ILE A 91 1.814 5.162 -17.537 1.00 0.00 H new ATOM 1416 N LEU A 92 -1.839 7.624 -13.615 1.00 0.00 N ATOM 1417 CA LEU A 92 -3.182 8.131 -13.395 1.00 0.00 C ATOM 1418 C LEU A 92 -3.101 9.562 -12.858 1.00 0.00 C ATOM 1419 O LEU A 92 -3.994 10.371 -13.102 1.00 0.00 O ATOM 1420 CB LEU A 92 -3.973 7.180 -12.494 1.00 0.00 C ATOM 1421 CG LEU A 92 -5.138 7.802 -11.722 1.00 0.00 C ATOM 1422 CD1 LEU A 92 -6.256 6.781 -11.502 1.00 0.00 C ATOM 1423 CD2 LEU A 92 -4.658 8.418 -10.406 1.00 0.00 C ATOM 0 H LEU A 92 -1.627 6.753 -13.129 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.732 8.173 -14.335 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -4.362 6.369 -13.109 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -3.284 6.734 -11.776 1.00 0.00 H new ATOM 0 HG LEU A 92 -5.553 8.611 -12.323 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -7.072 7.248 -10.951 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -6.623 6.430 -12.466 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -5.870 5.936 -10.932 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -5.506 8.853 -9.877 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -4.202 7.645 -9.787 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.923 9.195 -10.615 1.00 0.00 H new ATOM 1435 N ARG A 93 -2.022 9.829 -12.138 1.00 0.00 N ATOM 1436 CA ARG A 93 -1.812 11.147 -11.564 1.00 0.00 C ATOM 1437 C ARG A 93 -0.987 12.015 -12.517 1.00 0.00 C ATOM 1438 O ARG A 93 -1.309 13.182 -12.735 1.00 0.00 O ATOM 1439 CB ARG A 93 -1.093 11.054 -10.217 1.00 0.00 C ATOM 1440 CG ARG A 93 -2.014 11.482 -9.073 1.00 0.00 C ATOM 1441 CD ARG A 93 -1.856 12.974 -8.771 1.00 0.00 C ATOM 1442 NE ARG A 93 -3.140 13.531 -8.288 1.00 0.00 N ATOM 1443 CZ ARG A 93 -3.283 14.768 -7.794 1.00 0.00 C ATOM 1444 NH1 ARG A 93 -2.224 15.585 -7.715 1.00 0.00 N ATOM 1445 NH2 ARG A 93 -4.486 15.189 -7.379 1.00 0.00 N ATOM 0 H ARG A 93 -1.283 9.155 -11.939 1.00 0.00 H new ATOM 0 HA ARG A 93 -2.791 11.601 -11.409 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -0.753 10.032 -10.052 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -0.205 11.687 -10.230 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -3.050 11.268 -9.336 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -1.785 10.900 -8.180 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -1.080 13.121 -8.019 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -1.535 13.503 -9.668 1.00 0.00 H new ATOM 0 HE ARG A 93 -3.967 12.936 -8.334 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -1.308 15.265 -8.031 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -2.333 16.527 -7.339 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -5.293 14.568 -7.439 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -4.595 16.131 -7.003 1.00 0.00 H new ATOM 1459 N LEU A 94 0.061 11.412 -13.058 1.00 0.00 N ATOM 1460 CA LEU A 94 0.934 12.116 -13.982 1.00 0.00 C ATOM 1461 C LEU A 94 0.161 12.439 -15.262 1.00 0.00 C ATOM 1462 O LEU A 94 0.598 13.263 -16.064 1.00 0.00 O ATOM 1463 CB LEU A 94 2.215 11.315 -14.223 1.00 0.00 C ATOM 1464 CG LEU A 94 3.196 11.907 -15.237 1.00 0.00 C ATOM 1465 CD1 LEU A 94 4.575 12.118 -14.608 1.00 0.00 C ATOM 1466 CD2 LEU A 94 3.267 11.045 -16.499 1.00 0.00 C ATOM 0 H LEU A 94 0.325 10.444 -12.874 1.00 0.00 H new ATOM 0 HA LEU A 94 1.254 13.066 -13.555 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.733 11.201 -13.271 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.937 10.315 -14.557 1.00 0.00 H new ATOM 0 HG LEU A 94 2.826 12.887 -15.537 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.253 12.540 -15.350 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.489 12.803 -13.764 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.967 11.162 -14.261 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.971 11.488 -17.203 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.600 10.041 -16.236 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.280 10.991 -16.959 1.00 0.00 H new ATOM 1478 N VAL A 95 -0.974 11.773 -15.414 1.00 0.00 N ATOM 1479 CA VAL A 95 -1.812 11.979 -16.583 1.00 0.00 C ATOM 1480 C VAL A 95 -2.560 13.306 -16.442 1.00 0.00 C ATOM 1481 O VAL A 95 -2.301 14.251 -17.186 1.00 0.00 O ATOM 1482 CB VAL A 95 -2.747 10.783 -16.774 1.00 0.00 C ATOM 1483 CG1 VAL A 95 -3.992 11.182 -17.569 1.00 0.00 C ATOM 1484 CG2 VAL A 95 -2.018 9.618 -17.446 1.00 0.00 C ATOM 0 H VAL A 95 -1.333 11.090 -14.747 1.00 0.00 H new ATOM 0 HA VAL A 95 -1.201 12.044 -17.484 1.00 0.00 H new ATOM 0 HB VAL A 95 -3.071 10.451 -15.788 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -4.640 10.314 -17.691 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.530 11.964 -17.034 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.694 11.553 -18.550 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.706 8.781 -17.570 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.651 9.933 -18.423 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.177 9.308 -16.825 1.00 0.00 H new ATOM 1494 N LEU A 96 -3.472 13.335 -15.481 1.00 0.00 N ATOM 1495 CA LEU A 96 -4.260 14.531 -15.233 1.00 0.00 C ATOM 1496 C LEU A 96 -3.323 15.732 -15.090 1.00 0.00 C ATOM 1497 O LEU A 96 -3.689 16.854 -15.435 1.00 0.00 O ATOM 1498 CB LEU A 96 -5.183 14.324 -14.031 1.00 0.00 C ATOM 1499 CG LEU A 96 -4.583 14.646 -12.661 1.00 0.00 C ATOM 1500 CD1 LEU A 96 -5.242 15.885 -12.051 1.00 0.00 C ATOM 1501 CD2 LEU A 96 -4.665 13.436 -11.728 1.00 0.00 C ATOM 0 H LEU A 96 -3.683 12.550 -14.865 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.917 14.737 -16.078 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -6.072 14.940 -14.170 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -5.513 13.285 -14.026 1.00 0.00 H new ATOM 0 HG LEU A 96 -3.526 14.877 -12.797 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.797 16.092 -11.078 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -5.088 16.740 -12.709 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -6.311 15.707 -11.931 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -4.232 13.692 -10.761 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -5.708 13.150 -11.594 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -4.114 12.603 -12.164 1.00 0.00 H new