USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 606 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 31 SER OG : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= -8.41! C(o=-8.4!,f=-11!) USER MOD Single : B 31 SER OG : rot 180:sc= 0 USER MOD Single : B 37 HIS : no HD1:sc= -8.66! C(o=-8.7!,f=-10!) USER MOD Single : C 31 SER OG : rot 180:sc= 0 USER MOD Single : C 37 HIS : no HD1:sc= -8.51! C(o=-8.5!,f=-10!) USER MOD Single : D 31 SER OG : rot 180:sc= 0 USER MOD Single : D 37 HIS : no HD1:sc= -8.53! C(o=-8.5!,f=-9.9!) USER MOD ----------------------------------------------------------------- ATOM 107 N VAL A 27 -12.837 5.171 1.543 1.00 0.00 N ATOM 108 CA VAL A 27 -12.032 5.528 2.711 1.00 0.00 C ATOM 109 C VAL A 27 -11.857 4.332 3.645 1.00 0.00 C ATOM 110 O VAL A 27 -10.737 3.983 4.031 1.00 0.00 O ATOM 111 CB VAL A 27 -12.714 6.669 3.474 1.00 0.00 C ATOM 112 CG1 VAL A 27 -11.935 6.971 4.758 1.00 0.00 C ATOM 113 CG2 VAL A 27 -12.760 7.924 2.593 1.00 0.00 C ATOM 0 HA VAL A 27 -11.048 5.844 2.364 1.00 0.00 H new ATOM 0 HB VAL A 27 -13.730 6.371 3.731 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -12.423 7.783 5.297 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -11.910 6.081 5.387 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -10.916 7.265 4.505 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -13.245 8.734 3.138 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -11.745 8.221 2.330 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -13.322 7.710 1.684 1.00 0.00 H new ATOM 123 N VAL A 28 -12.967 3.694 3.996 1.00 0.00 N ATOM 124 CA VAL A 28 -12.910 2.537 4.876 1.00 0.00 C ATOM 125 C VAL A 28 -12.203 1.388 4.181 1.00 0.00 C ATOM 126 O VAL A 28 -11.372 0.710 4.773 1.00 0.00 O ATOM 127 CB VAL A 28 -14.318 2.104 5.288 1.00 0.00 C ATOM 128 CG1 VAL A 28 -14.953 3.194 6.150 1.00 0.00 C ATOM 129 CG2 VAL A 28 -15.173 1.879 4.042 1.00 0.00 C ATOM 0 H VAL A 28 -13.904 3.954 3.689 1.00 0.00 H new ATOM 0 HA VAL A 28 -12.353 2.813 5.771 1.00 0.00 H new ATOM 0 HB VAL A 28 -14.258 1.176 5.857 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -15.957 2.887 6.444 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -14.346 3.353 7.041 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -15.010 4.121 5.580 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -16.175 1.571 4.339 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -15.233 2.805 3.470 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -14.722 1.101 3.427 1.00 0.00 H new ATOM 139 N ALA A 29 -12.530 1.181 2.912 1.00 0.00 N ATOM 140 CA ALA A 29 -11.910 0.110 2.151 1.00 0.00 C ATOM 141 C ALA A 29 -10.397 0.269 2.166 1.00 0.00 C ATOM 142 O ALA A 29 -9.663 -0.705 2.306 1.00 0.00 O ATOM 143 CB ALA A 29 -12.414 0.130 0.705 1.00 0.00 C ATOM 0 H ALA A 29 -13.213 1.735 2.395 1.00 0.00 H new ATOM 0 HA ALA A 29 -12.176 -0.843 2.609 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -11.943 -0.677 0.144 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -13.496 -0.005 0.695 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -12.163 1.086 0.245 1.00 0.00 H new ATOM 149 N ALA A 30 -9.934 1.504 2.030 1.00 0.00 N ATOM 150 CA ALA A 30 -8.502 1.767 2.032 1.00 0.00 C ATOM 151 C ALA A 30 -7.865 1.251 3.318 1.00 0.00 C ATOM 152 O ALA A 30 -6.796 0.640 3.285 1.00 0.00 O ATOM 153 CB ALA A 30 -8.244 3.268 1.898 1.00 0.00 C ATOM 0 H ALA A 30 -10.521 2.331 1.918 1.00 0.00 H new ATOM 0 HA ALA A 30 -8.056 1.247 1.184 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -7.170 3.454 1.901 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -8.673 3.629 0.963 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.705 3.793 2.735 1.00 0.00 H new ATOM 159 N SER A 31 -8.521 1.492 4.449 1.00 0.00 N ATOM 160 CA SER A 31 -7.989 1.033 5.730 1.00 0.00 C ATOM 161 C SER A 31 -7.846 -0.492 5.744 1.00 0.00 C ATOM 162 O SER A 31 -6.815 -1.023 6.154 1.00 0.00 O ATOM 163 CB SER A 31 -8.913 1.470 6.866 1.00 0.00 C ATOM 164 OG SER A 31 -8.954 2.891 6.914 1.00 0.00 O ATOM 0 H SER A 31 -9.407 1.994 4.507 1.00 0.00 H new ATOM 0 HA SER A 31 -7.004 1.478 5.870 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.915 1.070 6.710 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.555 1.072 7.816 1.00 0.00 H new ATOM 0 HG SER A 31 -9.547 3.177 7.640 1.00 0.00 H new ATOM 170 N ILE A 32 -8.884 -1.184 5.281 1.00 0.00 N ATOM 171 CA ILE A 32 -8.871 -2.647 5.228 1.00 0.00 C ATOM 172 C ILE A 32 -7.842 -3.144 4.210 1.00 0.00 C ATOM 173 O ILE A 32 -7.142 -4.122 4.461 1.00 0.00 O ATOM 174 CB ILE A 32 -10.286 -3.184 4.904 1.00 0.00 C ATOM 175 CG1 ILE A 32 -11.165 -3.176 6.171 1.00 0.00 C ATOM 176 CG2 ILE A 32 -10.208 -4.625 4.377 1.00 0.00 C ATOM 177 CD1 ILE A 32 -11.038 -1.848 6.923 1.00 0.00 C ATOM 0 H ILE A 32 -9.745 -0.758 4.937 1.00 0.00 H new ATOM 0 HA ILE A 32 -8.578 -3.029 6.206 1.00 0.00 H new ATOM 0 HB ILE A 32 -10.723 -2.536 4.144 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -12.206 -3.343 5.896 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -10.872 -3.997 6.825 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -11.212 -4.986 4.155 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -9.605 -4.648 3.469 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -9.752 -5.265 5.133 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -11.669 -1.871 7.812 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -10.000 -1.695 7.219 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -11.355 -1.031 6.275 1.00 0.00 H new ATOM 189 N ILE A 33 -7.761 -2.486 3.058 1.00 0.00 N ATOM 190 CA ILE A 33 -6.816 -2.906 2.025 1.00 0.00 C ATOM 191 C ILE A 33 -5.378 -2.848 2.544 1.00 0.00 C ATOM 192 O ILE A 33 -4.598 -3.775 2.325 1.00 0.00 O ATOM 193 CB ILE A 33 -6.954 -1.991 0.797 1.00 0.00 C ATOM 194 CG1 ILE A 33 -8.284 -2.266 0.086 1.00 0.00 C ATOM 195 CG2 ILE A 33 -5.805 -2.243 -0.185 1.00 0.00 C ATOM 196 CD1 ILE A 33 -8.587 -1.118 -0.884 1.00 0.00 C ATOM 0 H ILE A 33 -8.327 -1.673 2.817 1.00 0.00 H new ATOM 0 HA ILE A 33 -7.044 -3.935 1.748 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.923 -0.955 1.135 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.232 -3.211 -0.455 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -9.087 -2.362 0.817 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -5.915 -1.589 -1.050 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.854 -2.037 0.307 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -5.827 -3.283 -0.512 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -9.532 -1.310 -1.391 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -8.657 -0.182 -0.330 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -7.788 -1.044 -1.621 1.00 0.00 H new ATOM 208 N GLY A 34 -5.029 -1.765 3.224 1.00 0.00 N ATOM 209 CA GLY A 34 -3.678 -1.620 3.753 1.00 0.00 C ATOM 210 C GLY A 34 -3.409 -2.621 4.874 1.00 0.00 C ATOM 211 O GLY A 34 -2.403 -3.331 4.859 1.00 0.00 O ATOM 0 H GLY A 34 -5.653 -0.982 3.421 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.954 -1.766 2.951 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.539 -0.606 4.127 1.00 0.00 H new ATOM 215 N ILE A 35 -4.311 -2.663 5.847 1.00 0.00 N ATOM 216 CA ILE A 35 -4.166 -3.565 6.986 1.00 0.00 C ATOM 217 C ILE A 35 -4.252 -5.033 6.554 1.00 0.00 C ATOM 218 O ILE A 35 -3.480 -5.870 7.020 1.00 0.00 O ATOM 219 CB ILE A 35 -5.249 -3.253 8.024 1.00 0.00 C ATOM 220 CG1 ILE A 35 -4.974 -1.872 8.628 1.00 0.00 C ATOM 221 CG2 ILE A 35 -5.228 -4.306 9.136 1.00 0.00 C ATOM 222 CD1 ILE A 35 -6.186 -1.412 9.440 1.00 0.00 C ATOM 0 H ILE A 35 -5.150 -2.084 5.871 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.181 -3.409 7.425 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.227 -3.264 7.543 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.091 -1.913 9.266 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.761 -1.154 7.836 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.001 -4.076 9.869 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.415 -5.291 8.708 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.253 -4.301 9.623 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.986 -0.430 9.868 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.059 -1.354 8.790 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -6.378 -2.125 10.242 1.00 0.00 H new ATOM 234 N LEU A 36 -5.203 -5.340 5.677 1.00 0.00 N ATOM 235 CA LEU A 36 -5.386 -6.714 5.209 1.00 0.00 C ATOM 236 C LEU A 36 -4.140 -7.207 4.478 1.00 0.00 C ATOM 237 O LEU A 36 -3.694 -8.337 4.691 1.00 0.00 O ATOM 238 CB LEU A 36 -6.604 -6.782 4.272 1.00 0.00 C ATOM 239 CG LEU A 36 -6.816 -8.215 3.755 1.00 0.00 C ATOM 240 CD1 LEU A 36 -7.005 -9.186 4.932 1.00 0.00 C ATOM 241 CD2 LEU A 36 -8.063 -8.241 2.863 1.00 0.00 C ATOM 0 H LEU A 36 -5.855 -4.664 5.278 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.554 -7.357 6.073 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.495 -6.446 4.802 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.459 -6.105 3.430 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.940 -8.526 3.185 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.154 -10.196 4.550 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.119 -9.165 5.567 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -7.876 -8.886 5.515 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -8.223 -9.253 2.491 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -8.931 -7.926 3.442 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.923 -7.563 2.021 1.00 0.00 H new ATOM 253 N HIS A 37 -3.580 -6.359 3.624 1.00 0.00 N ATOM 254 CA HIS A 37 -2.382 -6.728 2.878 1.00 0.00 C ATOM 255 C HIS A 37 -1.223 -7.002 3.829 1.00 0.00 C ATOM 256 O HIS A 37 -0.457 -7.947 3.636 1.00 0.00 O ATOM 257 CB HIS A 37 -1.990 -5.607 1.911 1.00 0.00 C ATOM 258 CG HIS A 37 -0.799 -6.049 1.105 1.00 0.00 C ATOM 259 ND1 HIS A 37 -0.850 -6.215 -0.269 1.00 0.00 N ATOM 260 CD2 HIS A 37 0.475 -6.389 1.474 1.00 0.00 C ATOM 261 CE1 HIS A 37 0.362 -6.641 -0.669 1.00 0.00 C ATOM 262 NE2 HIS A 37 1.206 -6.762 0.354 1.00 0.00 N ATOM 0 H HIS A 37 -3.931 -5.421 3.432 1.00 0.00 H new ATOM 0 HA HIS A 37 -2.601 -7.633 2.312 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -2.824 -5.370 1.251 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -1.754 -4.698 2.464 1.00 0.00 H new ATOM 0 HD2 HIS A 37 0.854 -6.370 2.485 1.00 0.00 H new ATOM 0 HE1 HIS A 37 0.619 -6.858 -1.695 1.00 0.00 H new ATOM 0 HE2 HIS A 37 2.180 -7.064 0.322 1.00 0.00 H new ATOM 270 N LEU A 38 -1.092 -6.161 4.848 1.00 0.00 N ATOM 271 CA LEU A 38 -0.013 -6.307 5.817 1.00 0.00 C ATOM 272 C LEU A 38 -0.107 -7.638 6.557 1.00 0.00 C ATOM 273 O LEU A 38 0.912 -8.273 6.814 1.00 0.00 O ATOM 274 CB LEU A 38 -0.047 -5.133 6.816 1.00 0.00 C ATOM 275 CG LEU A 38 0.749 -3.934 6.258 1.00 0.00 C ATOM 276 CD1 LEU A 38 0.269 -2.644 6.917 1.00 0.00 C ATOM 277 CD2 LEU A 38 2.251 -4.109 6.541 1.00 0.00 C ATOM 0 H LEU A 38 -1.717 -5.374 5.024 1.00 0.00 H new ATOM 0 HA LEU A 38 0.935 -6.295 5.279 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.079 -4.837 7.005 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.375 -5.446 7.771 1.00 0.00 H new ATOM 0 HG LEU A 38 0.588 -3.884 5.181 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.834 -1.801 6.520 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.791 -2.501 6.708 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.421 -2.707 7.994 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.798 -3.255 6.141 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.414 -4.173 7.617 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.607 -5.023 6.066 1.00 0.00 H new ATOM 289 N ILE A 39 -1.315 -8.055 6.909 1.00 0.00 N ATOM 290 CA ILE A 39 -1.475 -9.311 7.629 1.00 0.00 C ATOM 291 C ILE A 39 -0.982 -10.482 6.778 1.00 0.00 C ATOM 292 O ILE A 39 -0.274 -11.362 7.269 1.00 0.00 O ATOM 293 CB ILE A 39 -2.949 -9.522 7.993 1.00 0.00 C ATOM 294 CG1 ILE A 39 -3.374 -8.472 9.023 1.00 0.00 C ATOM 295 CG2 ILE A 39 -3.142 -10.920 8.591 1.00 0.00 C ATOM 296 CD1 ILE A 39 -4.895 -8.502 9.185 1.00 0.00 C ATOM 0 H ILE A 39 -2.182 -7.555 6.713 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.881 -9.265 8.542 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.557 -9.425 7.094 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.892 -8.670 9.980 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.051 -7.481 8.703 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.191 -11.064 8.848 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.840 -11.672 7.862 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -2.532 -11.019 9.489 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.198 -7.754 9.918 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.367 -8.283 8.227 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.205 -9.490 9.525 1.00 0.00 H new ATOM 308 N LEU A 40 -1.362 -10.494 5.504 1.00 0.00 N ATOM 309 CA LEU A 40 -0.945 -11.571 4.609 1.00 0.00 C ATOM 310 C LEU A 40 0.546 -11.477 4.274 1.00 0.00 C ATOM 311 O LEU A 40 1.256 -12.482 4.275 1.00 0.00 O ATOM 312 CB LEU A 40 -1.764 -11.513 3.315 1.00 0.00 C ATOM 313 CG LEU A 40 -3.247 -11.790 3.612 1.00 0.00 C ATOM 314 CD1 LEU A 40 -4.059 -11.585 2.328 1.00 0.00 C ATOM 315 CD2 LEU A 40 -3.435 -13.236 4.122 1.00 0.00 C ATOM 0 H LEU A 40 -1.950 -9.781 5.071 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.119 -12.518 5.119 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.656 -10.533 2.851 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.385 -12.246 2.603 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.592 -11.104 4.385 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.113 -11.779 2.529 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.939 -10.559 1.982 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.704 -12.271 1.559 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.490 -13.415 4.327 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.089 -13.937 3.363 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.858 -13.377 5.036 1.00 0.00 H new ATOM 327 N TRP A 41 1.008 -10.265 3.972 1.00 0.00 N ATOM 328 CA TRP A 41 2.409 -10.042 3.615 1.00 0.00 C ATOM 329 C TRP A 41 3.342 -10.246 4.807 1.00 0.00 C ATOM 330 O TRP A 41 4.371 -10.913 4.685 1.00 0.00 O ATOM 331 CB TRP A 41 2.556 -8.628 3.042 1.00 0.00 C ATOM 332 CG TRP A 41 3.999 -8.247 2.898 1.00 0.00 C ATOM 333 CD1 TRP A 41 4.797 -8.562 1.850 1.00 0.00 C ATOM 334 CD2 TRP A 41 4.806 -7.434 3.794 1.00 0.00 C ATOM 335 NE1 TRP A 41 6.051 -8.013 2.064 1.00 0.00 N ATOM 336 CE2 TRP A 41 6.101 -7.304 3.246 1.00 0.00 C ATOM 337 CE3 TRP A 41 4.541 -6.808 5.022 1.00 0.00 C ATOM 338 CZ2 TRP A 41 7.096 -6.575 3.895 1.00 0.00 C ATOM 339 CZ3 TRP A 41 5.539 -6.068 5.673 1.00 0.00 C ATOM 340 CH2 TRP A 41 6.813 -5.953 5.110 1.00 0.00 C ATOM 0 H TRP A 41 0.433 -9.422 3.967 1.00 0.00 H new ATOM 0 HA TRP A 41 2.699 -10.777 2.864 1.00 0.00 H new ATOM 0 HB2 TRP A 41 2.064 -8.574 2.071 1.00 0.00 H new ATOM 0 HB3 TRP A 41 2.052 -7.915 3.694 1.00 0.00 H new ATOM 0 HD1 TRP A 41 4.504 -9.145 0.989 1.00 0.00 H new ATOM 0 HE1 TRP A 41 6.840 -8.120 1.426 1.00 0.00 H new ATOM 0 HE3 TRP A 41 3.562 -6.897 5.469 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 8.081 -6.492 3.459 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 5.322 -5.585 6.614 1.00 0.00 H new ATOM 0 HH2 TRP A 41 7.578 -5.383 5.616 1.00 0.00 H new ATOM 351 N ILE A 42 2.989 -9.679 5.955 1.00 0.00 N ATOM 352 CA ILE A 42 3.831 -9.826 7.138 1.00 0.00 C ATOM 353 C ILE A 42 3.881 -11.296 7.545 1.00 0.00 C ATOM 354 O ILE A 42 4.934 -11.818 7.908 1.00 0.00 O ATOM 355 CB ILE A 42 3.292 -8.953 8.293 1.00 0.00 C ATOM 356 CG1 ILE A 42 4.398 -8.738 9.354 1.00 0.00 C ATOM 357 CG2 ILE A 42 2.082 -9.637 8.950 1.00 0.00 C ATOM 358 CD1 ILE A 42 5.307 -7.566 8.951 1.00 0.00 C ATOM 0 H ILE A 42 2.144 -9.124 6.092 1.00 0.00 H new ATOM 0 HA ILE A 42 4.842 -9.489 6.907 1.00 0.00 H new ATOM 0 HB ILE A 42 2.986 -7.988 7.888 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.945 -8.538 10.325 1.00 0.00 H new ATOM 0 HG13 ILE A 42 4.991 -9.647 9.460 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.709 -9.014 9.763 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.295 -9.775 8.208 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.383 -10.607 9.345 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.079 -7.428 9.708 1.00 0.00 H new ATOM 0 HD12 ILE A 42 5.774 -7.782 7.990 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.713 -6.656 8.869 1.00 0.00 H new ATOM 370 N LEU A 43 2.733 -11.957 7.462 1.00 0.00 N ATOM 371 CA LEU A 43 2.640 -13.369 7.798 1.00 0.00 C ATOM 372 C LEU A 43 3.472 -14.201 6.824 1.00 0.00 C ATOM 373 O LEU A 43 4.122 -15.170 7.212 1.00 0.00 O ATOM 374 CB LEU A 43 1.170 -13.810 7.757 1.00 0.00 C ATOM 375 CG LEU A 43 1.049 -15.317 8.024 1.00 0.00 C ATOM 376 CD1 LEU A 43 1.719 -15.680 9.358 1.00 0.00 C ATOM 377 CD2 LEU A 43 -0.436 -15.691 8.079 1.00 0.00 C ATOM 0 H LEU A 43 1.853 -11.536 7.164 1.00 0.00 H new ATOM 0 HA LEU A 43 3.032 -13.525 8.803 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.598 -13.256 8.502 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.741 -13.572 6.784 1.00 0.00 H new ATOM 0 HG LEU A 43 1.546 -15.866 7.224 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.625 -16.752 9.533 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.774 -15.410 9.320 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.234 -15.136 10.169 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.535 -16.760 8.268 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.922 -15.134 8.880 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.908 -15.446 7.128 1.00 0.00 H new ATOM 389 N ASP A 44 3.435 -13.815 5.553 1.00 0.00 N ATOM 390 CA ASP A 44 4.177 -14.528 4.516 1.00 0.00 C ATOM 391 C ASP A 44 5.678 -14.500 4.790 1.00 0.00 C ATOM 392 O ASP A 44 6.396 -15.436 4.441 1.00 0.00 O ATOM 393 CB ASP A 44 3.900 -13.896 3.151 1.00 0.00 C ATOM 394 CG ASP A 44 4.402 -14.811 2.039 1.00 0.00 C ATOM 395 OD1 ASP A 44 4.553 -15.995 2.294 1.00 0.00 O ATOM 396 OD2 ASP A 44 4.631 -14.314 0.948 1.00 0.00 O ATOM 0 H ASP A 44 2.901 -13.014 5.215 1.00 0.00 H new ATOM 0 HA ASP A 44 3.844 -15.566 4.519 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.831 -13.720 3.033 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.392 -12.926 3.084 1.00 0.00 H new ATOM 630 N VAL B 28 -10.019 7.998 -5.796 1.00 0.00 N ATOM 631 CA VAL B 28 -10.333 6.832 -6.608 1.00 0.00 C ATOM 632 C VAL B 28 -9.055 6.121 -7.012 1.00 0.00 C ATOM 633 O VAL B 28 -8.972 4.898 -6.959 1.00 0.00 O ATOM 634 CB VAL B 28 -11.114 7.240 -7.858 1.00 0.00 C ATOM 635 CG1 VAL B 28 -12.482 7.784 -7.446 1.00 0.00 C ATOM 636 CG2 VAL B 28 -10.345 8.321 -8.617 1.00 0.00 C ATOM 0 HA VAL B 28 -10.950 6.156 -6.016 1.00 0.00 H new ATOM 0 HB VAL B 28 -11.244 6.371 -8.502 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -13.041 8.076 -8.335 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -13.033 7.013 -6.908 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -12.349 8.652 -6.800 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -10.905 8.609 -9.507 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -10.212 9.192 -7.975 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -9.369 7.935 -8.911 1.00 0.00 H new ATOM 646 N ALA B 29 -8.053 6.895 -7.406 1.00 0.00 N ATOM 647 CA ALA B 29 -6.782 6.316 -7.810 1.00 0.00 C ATOM 648 C ALA B 29 -6.219 5.458 -6.688 1.00 0.00 C ATOM 649 O ALA B 29 -5.692 4.375 -6.929 1.00 0.00 O ATOM 650 CB ALA B 29 -5.785 7.425 -8.158 1.00 0.00 C ATOM 0 H ALA B 29 -8.095 7.913 -7.454 1.00 0.00 H new ATOM 0 HA ALA B 29 -6.946 5.693 -8.690 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -4.837 6.980 -8.459 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -6.180 8.026 -8.977 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -5.627 8.059 -7.286 1.00 0.00 H new ATOM 656 N ALA B 30 -6.342 5.939 -5.458 1.00 0.00 N ATOM 657 CA ALA B 30 -5.839 5.195 -4.312 1.00 0.00 C ATOM 658 C ALA B 30 -6.474 3.811 -4.254 1.00 0.00 C ATOM 659 O ALA B 30 -5.791 2.819 -4.001 1.00 0.00 O ATOM 660 CB ALA B 30 -6.141 5.954 -3.018 1.00 0.00 C ATOM 0 H ALA B 30 -6.781 6.831 -5.230 1.00 0.00 H new ATOM 0 HA ALA B 30 -4.760 5.084 -4.421 1.00 0.00 H new ATOM 0 HB1 ALA B 30 -5.761 5.389 -2.167 1.00 0.00 H new ATOM 0 HB2 ALA B 30 -5.660 6.931 -3.049 1.00 0.00 H new ATOM 0 HB3 ALA B 30 -7.218 6.083 -2.915 1.00 0.00 H new ATOM 666 N SER B 31 -7.783 3.743 -4.488 1.00 0.00 N ATOM 667 CA SER B 31 -8.477 2.457 -4.455 1.00 0.00 C ATOM 668 C SER B 31 -7.901 1.501 -5.501 1.00 0.00 C ATOM 669 O SER B 31 -7.629 0.336 -5.210 1.00 0.00 O ATOM 670 CB SER B 31 -9.969 2.666 -4.720 1.00 0.00 C ATOM 671 OG SER B 31 -10.522 3.466 -3.683 1.00 0.00 O ATOM 0 H SER B 31 -8.375 4.546 -4.699 1.00 0.00 H new ATOM 0 HA SER B 31 -8.338 2.017 -3.467 1.00 0.00 H new ATOM 0 HB2 SER B 31 -10.114 3.150 -5.686 1.00 0.00 H new ATOM 0 HB3 SER B 31 -10.480 1.704 -4.765 1.00 0.00 H new ATOM 0 HG SER B 31 -11.478 3.604 -3.850 1.00 0.00 H new ATOM 677 N ILE B 32 -7.705 2.007 -6.717 1.00 0.00 N ATOM 678 CA ILE B 32 -7.147 1.201 -7.806 1.00 0.00 C ATOM 679 C ILE B 32 -5.690 0.830 -7.514 1.00 0.00 C ATOM 680 O ILE B 32 -5.269 -0.293 -7.778 1.00 0.00 O ATOM 681 CB ILE B 32 -7.276 1.954 -9.151 1.00 0.00 C ATOM 682 CG1 ILE B 32 -8.710 1.819 -9.705 1.00 0.00 C ATOM 683 CG2 ILE B 32 -6.299 1.379 -10.187 1.00 0.00 C ATOM 684 CD1 ILE B 32 -9.751 2.081 -8.613 1.00 0.00 C ATOM 0 H ILE B 32 -7.923 2.969 -6.975 1.00 0.00 H new ATOM 0 HA ILE B 32 -7.715 0.274 -7.881 1.00 0.00 H new ATOM 0 HB ILE B 32 -7.044 3.003 -8.970 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -8.854 2.523 -10.525 1.00 0.00 H new ATOM 0 HG13 ILE B 32 -8.852 0.819 -10.115 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -6.404 1.921 -11.127 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -5.278 1.483 -9.821 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -6.521 0.324 -10.350 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -10.752 1.979 -9.032 1.00 0.00 H new ATOM 0 HD12 ILE B 32 -9.621 1.360 -7.806 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -9.623 3.091 -8.223 1.00 0.00 H new ATOM 696 N ILE B 33 -4.917 1.777 -6.991 1.00 0.00 N ATOM 697 CA ILE B 33 -3.509 1.512 -6.699 1.00 0.00 C ATOM 698 C ILE B 33 -3.366 0.368 -5.695 1.00 0.00 C ATOM 699 O ILE B 33 -2.535 -0.521 -5.875 1.00 0.00 O ATOM 700 CB ILE B 33 -2.852 2.781 -6.130 1.00 0.00 C ATOM 701 CG1 ILE B 33 -2.714 3.837 -7.234 1.00 0.00 C ATOM 702 CG2 ILE B 33 -1.460 2.457 -5.576 1.00 0.00 C ATOM 703 CD1 ILE B 33 -2.426 5.201 -6.595 1.00 0.00 C ATOM 0 H ILE B 33 -5.233 2.720 -6.763 1.00 0.00 H new ATOM 0 HA ILE B 33 -3.013 1.223 -7.626 1.00 0.00 H new ATOM 0 HB ILE B 33 -3.481 3.165 -5.327 1.00 0.00 H new ATOM 0 HG12 ILE B 33 -1.909 3.564 -7.916 1.00 0.00 H new ATOM 0 HG13 ILE B 33 -3.629 3.885 -7.824 1.00 0.00 H new ATOM 0 HG21 ILE B 33 -1.007 3.364 -5.177 1.00 0.00 H new ATOM 0 HG22 ILE B 33 -1.548 1.716 -4.782 1.00 0.00 H new ATOM 0 HG23 ILE B 33 -0.834 2.060 -6.375 1.00 0.00 H new ATOM 0 HD11 ILE B 33 -2.327 5.955 -7.376 1.00 0.00 H new ATOM 0 HD12 ILE B 33 -3.247 5.472 -5.931 1.00 0.00 H new ATOM 0 HD13 ILE B 33 -1.499 5.147 -6.024 1.00 0.00 H new ATOM 715 N GLY B 34 -4.169 0.395 -4.639 1.00 0.00 N ATOM 716 CA GLY B 34 -4.099 -0.651 -3.625 1.00 0.00 C ATOM 717 C GLY B 34 -4.581 -1.992 -4.176 1.00 0.00 C ATOM 718 O GLY B 34 -3.903 -3.012 -4.040 1.00 0.00 O ATOM 0 H GLY B 34 -4.867 1.118 -4.463 1.00 0.00 H new ATOM 0 HA2 GLY B 34 -3.073 -0.749 -3.271 1.00 0.00 H new ATOM 0 HA3 GLY B 34 -4.707 -0.369 -2.766 1.00 0.00 H new ATOM 722 N ILE B 35 -5.761 -1.981 -4.785 1.00 0.00 N ATOM 723 CA ILE B 35 -6.342 -3.198 -5.344 1.00 0.00 C ATOM 724 C ILE B 35 -5.506 -3.738 -6.508 1.00 0.00 C ATOM 725 O ILE B 35 -5.285 -4.945 -6.613 1.00 0.00 O ATOM 726 CB ILE B 35 -7.774 -2.910 -5.809 1.00 0.00 C ATOM 727 CG1 ILE B 35 -8.647 -2.630 -4.582 1.00 0.00 C ATOM 728 CG2 ILE B 35 -8.334 -4.120 -6.561 1.00 0.00 C ATOM 729 CD1 ILE B 35 -9.993 -2.055 -5.026 1.00 0.00 C ATOM 0 H ILE B 35 -6.334 -1.146 -4.905 1.00 0.00 H new ATOM 0 HA ILE B 35 -6.353 -3.962 -4.567 1.00 0.00 H new ATOM 0 HB ILE B 35 -7.772 -2.047 -6.474 1.00 0.00 H new ATOM 0 HG12 ILE B 35 -8.802 -3.549 -4.017 1.00 0.00 H new ATOM 0 HG13 ILE B 35 -8.143 -1.929 -3.917 1.00 0.00 H new ATOM 0 HG21 ILE B 35 -9.352 -3.906 -6.888 1.00 0.00 H new ATOM 0 HG22 ILE B 35 -7.710 -4.329 -7.430 1.00 0.00 H new ATOM 0 HG23 ILE B 35 -8.339 -4.988 -5.901 1.00 0.00 H new ATOM 0 HD11 ILE B 35 -10.611 -1.857 -4.150 1.00 0.00 H new ATOM 0 HD12 ILE B 35 -9.829 -1.126 -5.572 1.00 0.00 H new ATOM 0 HD13 ILE B 35 -10.499 -2.772 -5.673 1.00 0.00 H new ATOM 741 N LEU B 36 -5.059 -2.845 -7.384 1.00 0.00 N ATOM 742 CA LEU B 36 -4.265 -3.252 -8.542 1.00 0.00 C ATOM 743 C LEU B 36 -2.962 -3.912 -8.101 1.00 0.00 C ATOM 744 O LEU B 36 -2.562 -4.943 -8.645 1.00 0.00 O ATOM 745 CB LEU B 36 -3.961 -2.027 -9.417 1.00 0.00 C ATOM 746 CG LEU B 36 -3.116 -2.424 -10.640 1.00 0.00 C ATOM 747 CD1 LEU B 36 -3.847 -3.491 -11.471 1.00 0.00 C ATOM 748 CD2 LEU B 36 -2.878 -1.178 -11.503 1.00 0.00 C ATOM 0 H LEU B 36 -5.230 -1.842 -7.317 1.00 0.00 H new ATOM 0 HA LEU B 36 -4.839 -3.978 -9.119 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -4.894 -1.570 -9.747 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -3.429 -1.278 -8.830 1.00 0.00 H new ATOM 0 HG LEU B 36 -2.165 -2.835 -10.303 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -3.237 -3.762 -12.333 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -4.020 -4.375 -10.857 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -4.803 -3.094 -11.813 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -2.280 -1.447 -12.373 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -3.836 -0.775 -11.832 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -2.349 -0.426 -10.918 1.00 0.00 H new ATOM 760 N HIS B 37 -2.305 -3.319 -7.109 1.00 0.00 N ATOM 761 CA HIS B 37 -1.051 -3.867 -6.605 1.00 0.00 C ATOM 762 C HIS B 37 -1.272 -5.260 -6.026 1.00 0.00 C ATOM 763 O HIS B 37 -0.462 -6.164 -6.229 1.00 0.00 O ATOM 764 CB HIS B 37 -0.467 -2.956 -5.524 1.00 0.00 C ATOM 765 CG HIS B 37 0.860 -3.509 -5.081 1.00 0.00 C ATOM 766 ND1 HIS B 37 2.051 -2.825 -5.263 1.00 0.00 N ATOM 767 CD2 HIS B 37 1.200 -4.693 -4.485 1.00 0.00 C ATOM 768 CE1 HIS B 37 3.039 -3.603 -4.786 1.00 0.00 C ATOM 769 NE2 HIS B 37 2.575 -4.751 -4.298 1.00 0.00 N ATOM 0 H HIS B 37 -2.616 -2.467 -6.642 1.00 0.00 H new ATOM 0 HA HIS B 37 -0.351 -3.932 -7.438 1.00 0.00 H new ATOM 0 HB2 HIS B 37 -0.343 -1.945 -5.911 1.00 0.00 H new ATOM 0 HB3 HIS B 37 -1.150 -2.892 -4.677 1.00 0.00 H new ATOM 0 HD2 HIS B 37 0.503 -5.467 -4.202 1.00 0.00 H new ATOM 0 HE1 HIS B 37 4.084 -3.329 -4.798 1.00 0.00 H new ATOM 0 HE2 HIS B 37 3.113 -5.509 -3.878 1.00 0.00 H new ATOM 777 N LEU B 38 -2.365 -5.420 -5.290 1.00 0.00 N ATOM 778 CA LEU B 38 -2.679 -6.699 -4.666 1.00 0.00 C ATOM 779 C LEU B 38 -2.878 -7.793 -5.711 1.00 0.00 C ATOM 780 O LEU B 38 -2.452 -8.924 -5.507 1.00 0.00 O ATOM 781 CB LEU B 38 -3.943 -6.557 -3.792 1.00 0.00 C ATOM 782 CG LEU B 38 -3.560 -6.072 -2.377 1.00 0.00 C ATOM 783 CD1 LEU B 38 -4.760 -5.399 -1.721 1.00 0.00 C ATOM 784 CD2 LEU B 38 -3.118 -7.261 -1.507 1.00 0.00 C ATOM 0 H LEU B 38 -3.047 -4.683 -5.111 1.00 0.00 H new ATOM 0 HA LEU B 38 -1.836 -6.989 -4.038 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -4.635 -5.851 -4.252 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -4.460 -7.515 -3.729 1.00 0.00 H new ATOM 0 HG LEU B 38 -2.737 -5.362 -2.465 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -4.485 -5.058 -0.723 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -5.072 -4.545 -2.323 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -5.582 -6.111 -1.648 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -2.851 -6.904 -0.512 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -3.935 -7.978 -1.428 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -2.254 -7.744 -1.963 1.00 0.00 H new ATOM 796 N ILE B 39 -3.531 -7.467 -6.818 1.00 0.00 N ATOM 797 CA ILE B 39 -3.767 -8.467 -7.851 1.00 0.00 C ATOM 798 C ILE B 39 -2.439 -8.973 -8.417 1.00 0.00 C ATOM 799 O ILE B 39 -2.252 -10.175 -8.597 1.00 0.00 O ATOM 800 CB ILE B 39 -4.614 -7.865 -8.979 1.00 0.00 C ATOM 801 CG1 ILE B 39 -6.020 -7.566 -8.455 1.00 0.00 C ATOM 802 CG2 ILE B 39 -4.711 -8.859 -10.141 1.00 0.00 C ATOM 803 CD1 ILE B 39 -6.780 -6.723 -9.482 1.00 0.00 C ATOM 0 H ILE B 39 -3.900 -6.538 -7.022 1.00 0.00 H new ATOM 0 HA ILE B 39 -4.303 -9.306 -7.406 1.00 0.00 H new ATOM 0 HB ILE B 39 -4.146 -6.944 -9.327 1.00 0.00 H new ATOM 0 HG12 ILE B 39 -6.555 -8.497 -8.266 1.00 0.00 H new ATOM 0 HG13 ILE B 39 -5.960 -7.034 -7.505 1.00 0.00 H new ATOM 0 HG21 ILE B 39 -5.314 -8.427 -10.940 1.00 0.00 H new ATOM 0 HG22 ILE B 39 -3.712 -9.077 -10.518 1.00 0.00 H new ATOM 0 HG23 ILE B 39 -5.177 -9.781 -9.793 1.00 0.00 H new ATOM 0 HD11 ILE B 39 -7.782 -6.510 -9.108 1.00 0.00 H new ATOM 0 HD12 ILE B 39 -6.248 -5.786 -9.649 1.00 0.00 H new ATOM 0 HD13 ILE B 39 -6.852 -7.271 -10.421 1.00 0.00 H new ATOM 815 N LEU B 40 -1.523 -8.053 -8.700 1.00 0.00 N ATOM 816 CA LEU B 40 -0.223 -8.434 -9.248 1.00 0.00 C ATOM 817 C LEU B 40 0.646 -9.128 -8.194 1.00 0.00 C ATOM 818 O LEU B 40 1.290 -10.139 -8.476 1.00 0.00 O ATOM 819 CB LEU B 40 0.502 -7.190 -9.770 1.00 0.00 C ATOM 820 CG LEU B 40 -0.268 -6.586 -10.956 1.00 0.00 C ATOM 821 CD1 LEU B 40 0.401 -5.269 -11.364 1.00 0.00 C ATOM 822 CD2 LEU B 40 -0.273 -7.560 -12.154 1.00 0.00 C ATOM 0 H LEU B 40 -1.652 -7.051 -8.562 1.00 0.00 H new ATOM 0 HA LEU B 40 -0.394 -9.135 -10.065 1.00 0.00 H new ATOM 0 HB2 LEU B 40 0.594 -6.452 -8.973 1.00 0.00 H new ATOM 0 HB3 LEU B 40 1.514 -7.453 -10.079 1.00 0.00 H new ATOM 0 HG LEU B 40 -1.300 -6.404 -10.657 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -0.138 -4.832 -12.205 1.00 0.00 H new ATOM 0 HD12 LEU B 40 0.384 -4.576 -10.523 1.00 0.00 H new ATOM 0 HD13 LEU B 40 1.434 -5.460 -11.655 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -0.823 -7.114 -12.983 1.00 0.00 H new ATOM 0 HD22 LEU B 40 0.752 -7.760 -12.464 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -0.752 -8.494 -11.861 1.00 0.00 H new ATOM 834 N TRP B 41 0.672 -8.568 -6.987 1.00 0.00 N ATOM 835 CA TRP B 41 1.478 -9.122 -5.898 1.00 0.00 C ATOM 836 C TRP B 41 0.934 -10.463 -5.411 1.00 0.00 C ATOM 837 O TRP B 41 1.697 -11.414 -5.230 1.00 0.00 O ATOM 838 CB TRP B 41 1.530 -8.105 -4.753 1.00 0.00 C ATOM 839 CG TRP B 41 2.119 -8.710 -3.514 1.00 0.00 C ATOM 840 CD1 TRP B 41 3.440 -8.815 -3.238 1.00 0.00 C ATOM 841 CD2 TRP B 41 1.419 -9.236 -2.353 1.00 0.00 C ATOM 842 NE1 TRP B 41 3.591 -9.402 -1.994 1.00 0.00 N ATOM 843 CE2 TRP B 41 2.372 -9.673 -1.407 1.00 0.00 C ATOM 844 CE3 TRP B 41 0.059 -9.383 -2.038 1.00 0.00 C ATOM 845 CZ2 TRP B 41 1.988 -10.231 -0.191 1.00 0.00 C ATOM 846 CZ3 TRP B 41 -0.331 -9.940 -0.811 1.00 0.00 C ATOM 847 CH2 TRP B 41 0.633 -10.362 0.111 1.00 0.00 C ATOM 0 H TRP B 41 0.145 -7.731 -6.737 1.00 0.00 H new ATOM 0 HA TRP B 41 2.485 -9.311 -6.270 1.00 0.00 H new ATOM 0 HB2 TRP B 41 2.123 -7.242 -5.057 1.00 0.00 H new ATOM 0 HB3 TRP B 41 0.525 -7.742 -4.540 1.00 0.00 H new ATOM 0 HD1 TRP B 41 4.244 -8.493 -3.883 1.00 0.00 H new ATOM 0 HE1 TRP B 41 4.492 -9.609 -1.564 1.00 0.00 H new ATOM 0 HE3 TRP B 41 -0.693 -9.065 -2.745 1.00 0.00 H new ATOM 0 HZ2 TRP B 41 2.736 -10.561 0.515 1.00 0.00 H new ATOM 0 HZ3 TRP B 41 -1.380 -10.044 -0.577 1.00 0.00 H new ATOM 0 HH2 TRP B 41 0.328 -10.789 1.055 1.00 0.00 H new ATOM 858 N ILE B 42 -0.374 -10.546 -5.198 1.00 0.00 N ATOM 859 CA ILE B 42 -0.966 -11.793 -4.729 1.00 0.00 C ATOM 860 C ILE B 42 -0.777 -12.876 -5.789 1.00 0.00 C ATOM 861 O ILE B 42 -0.461 -14.023 -5.476 1.00 0.00 O ATOM 862 CB ILE B 42 -2.464 -11.593 -4.412 1.00 0.00 C ATOM 863 CG1 ILE B 42 -2.969 -12.733 -3.498 1.00 0.00 C ATOM 864 CG2 ILE B 42 -3.283 -11.581 -5.713 1.00 0.00 C ATOM 865 CD1 ILE B 42 -2.660 -12.421 -2.024 1.00 0.00 C ATOM 0 H ILE B 42 -1.034 -9.781 -5.339 1.00 0.00 H new ATOM 0 HA ILE B 42 -0.468 -12.105 -3.811 1.00 0.00 H new ATOM 0 HB ILE B 42 -2.587 -10.638 -3.900 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -4.043 -12.864 -3.630 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -2.496 -13.672 -3.784 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -4.338 -11.439 -5.478 1.00 0.00 H new ATOM 0 HG22 ILE B 42 -2.941 -10.766 -6.351 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -3.152 -12.529 -6.234 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -3.023 -13.235 -1.396 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -1.583 -12.314 -1.893 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -3.155 -11.493 -1.737 1.00 0.00 H new ATOM 877 N LEU B 43 -0.955 -12.488 -7.046 1.00 0.00 N ATOM 878 CA LEU B 43 -0.786 -13.410 -8.159 1.00 0.00 C ATOM 879 C LEU B 43 0.669 -13.869 -8.248 1.00 0.00 C ATOM 880 O LEU B 43 0.949 -15.033 -8.537 1.00 0.00 O ATOM 881 CB LEU B 43 -1.210 -12.722 -9.464 1.00 0.00 C ATOM 882 CG LEU B 43 -0.960 -13.641 -10.667 1.00 0.00 C ATOM 883 CD1 LEU B 43 -1.677 -14.986 -10.469 1.00 0.00 C ATOM 884 CD2 LEU B 43 -1.495 -12.959 -11.930 1.00 0.00 C ATOM 0 H LEU B 43 -1.216 -11.541 -7.319 1.00 0.00 H new ATOM 0 HA LEU B 43 -1.414 -14.286 -7.998 1.00 0.00 H new ATOM 0 HB2 LEU B 43 -2.266 -12.458 -9.415 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -0.654 -11.793 -9.588 1.00 0.00 H new ATOM 0 HG LEU B 43 0.110 -13.826 -10.764 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -1.491 -15.628 -11.330 1.00 0.00 H new ATOM 0 HD12 LEU B 43 -1.301 -15.470 -9.568 1.00 0.00 H new ATOM 0 HD13 LEU B 43 -2.749 -14.816 -10.369 1.00 0.00 H new ATOM 0 HD21 LEU B 43 -1.323 -13.603 -12.792 1.00 0.00 H new ATOM 0 HD22 LEU B 43 -2.564 -12.778 -11.820 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -0.979 -12.010 -12.077 1.00 0.00 H new ATOM 896 N ASP B 44 1.587 -12.940 -8.007 1.00 0.00 N ATOM 897 CA ASP B 44 3.015 -13.242 -8.070 1.00 0.00 C ATOM 898 C ASP B 44 3.400 -14.309 -7.049 1.00 0.00 C ATOM 899 O ASP B 44 4.318 -15.095 -7.282 1.00 0.00 O ATOM 900 CB ASP B 44 3.826 -11.971 -7.806 1.00 0.00 C ATOM 901 CG ASP B 44 5.288 -12.199 -8.179 1.00 0.00 C ATOM 902 OD1 ASP B 44 5.547 -13.099 -8.961 1.00 0.00 O ATOM 903 OD2 ASP B 44 6.126 -11.470 -7.677 1.00 0.00 O ATOM 0 H ASP B 44 1.370 -11.973 -7.767 1.00 0.00 H new ATOM 0 HA ASP B 44 3.235 -13.623 -9.067 1.00 0.00 H new ATOM 0 HB2 ASP B 44 3.419 -11.143 -8.386 1.00 0.00 H new ATOM 0 HB3 ASP B 44 3.749 -11.692 -6.755 1.00 0.00 H new ATOM 1137 N VAL C 28 -1.992 13.965 -0.893 1.00 0.00 N ATOM 1138 CA VAL C 28 -1.038 13.930 -1.991 1.00 0.00 C ATOM 1139 C VAL C 28 0.078 12.950 -1.680 1.00 0.00 C ATOM 1140 O VAL C 28 0.487 12.171 -2.534 1.00 0.00 O ATOM 1141 CB VAL C 28 -0.452 15.320 -2.238 1.00 0.00 C ATOM 1142 CG1 VAL C 28 -1.554 16.255 -2.734 1.00 0.00 C ATOM 1143 CG2 VAL C 28 0.136 15.870 -0.939 1.00 0.00 C ATOM 0 HA VAL C 28 -1.560 13.606 -2.891 1.00 0.00 H new ATOM 0 HB VAL C 28 0.335 15.252 -2.989 1.00 0.00 H new ATOM 0 HG11 VAL C 28 -1.138 17.247 -2.911 1.00 0.00 H new ATOM 0 HG12 VAL C 28 -1.971 15.866 -3.663 1.00 0.00 H new ATOM 0 HG13 VAL C 28 -2.341 16.320 -1.983 1.00 0.00 H new ATOM 0 HG21 VAL C 28 0.553 16.861 -1.119 1.00 0.00 H new ATOM 0 HG22 VAL C 28 -0.648 15.938 -0.185 1.00 0.00 H new ATOM 0 HG23 VAL C 28 0.923 15.204 -0.585 1.00 0.00 H new ATOM 1153 N ALA C 29 0.561 12.983 -0.447 1.00 0.00 N ATOM 1154 CA ALA C 29 1.629 12.085 -0.042 1.00 0.00 C ATOM 1155 C ALA C 29 1.213 10.641 -0.281 1.00 0.00 C ATOM 1156 O ALA C 29 2.007 9.826 -0.745 1.00 0.00 O ATOM 1157 CB ALA C 29 1.956 12.285 1.440 1.00 0.00 C ATOM 0 H ALA C 29 0.234 13.616 0.283 1.00 0.00 H new ATOM 0 HA ALA C 29 2.515 12.308 -0.636 1.00 0.00 H new ATOM 0 HB1 ALA C 29 2.758 11.606 1.731 1.00 0.00 H new ATOM 0 HB2 ALA C 29 2.274 13.314 1.607 1.00 0.00 H new ATOM 0 HB3 ALA C 29 1.070 12.077 2.039 1.00 0.00 H new ATOM 1163 N ALA C 30 -0.039 10.329 0.027 1.00 0.00 N ATOM 1164 CA ALA C 30 -0.539 8.974 -0.165 1.00 0.00 C ATOM 1165 C ALA C 30 -0.376 8.547 -1.620 1.00 0.00 C ATOM 1166 O ALA C 30 0.037 7.421 -1.899 1.00 0.00 O ATOM 1167 CB ALA C 30 -2.014 8.898 0.233 1.00 0.00 C ATOM 0 H ALA C 30 -0.720 10.987 0.406 1.00 0.00 H new ATOM 0 HA ALA C 30 0.039 8.299 0.467 1.00 0.00 H new ATOM 0 HB1 ALA C 30 -2.379 7.881 0.086 1.00 0.00 H new ATOM 0 HB2 ALA C 30 -2.123 9.174 1.282 1.00 0.00 H new ATOM 0 HB3 ALA C 30 -2.593 9.584 -0.385 1.00 0.00 H new ATOM 1173 N SER C 31 -0.700 9.446 -2.546 1.00 0.00 N ATOM 1174 CA SER C 31 -0.574 9.125 -3.967 1.00 0.00 C ATOM 1175 C SER C 31 0.876 8.786 -4.322 1.00 0.00 C ATOM 1176 O SER C 31 1.142 7.796 -5.005 1.00 0.00 O ATOM 1177 CB SER C 31 -1.045 10.309 -4.808 1.00 0.00 C ATOM 1178 OG SER C 31 -2.421 10.548 -4.549 1.00 0.00 O ATOM 0 H SER C 31 -1.045 10.385 -2.345 1.00 0.00 H new ATOM 0 HA SER C 31 -1.195 8.255 -4.180 1.00 0.00 H new ATOM 0 HB2 SER C 31 -0.458 11.196 -4.569 1.00 0.00 H new ATOM 0 HB3 SER C 31 -0.893 10.102 -5.867 1.00 0.00 H new ATOM 0 HG SER C 31 -2.728 11.309 -5.086 1.00 0.00 H new ATOM 1184 N ILE C 32 1.807 9.607 -3.844 1.00 0.00 N ATOM 1185 CA ILE C 32 3.231 9.389 -4.102 1.00 0.00 C ATOM 1186 C ILE C 32 3.720 8.118 -3.400 1.00 0.00 C ATOM 1187 O ILE C 32 4.502 7.360 -3.966 1.00 0.00 O ATOM 1188 CB ILE C 32 4.052 10.625 -3.660 1.00 0.00 C ATOM 1189 CG1 ILE C 32 3.966 11.734 -4.728 1.00 0.00 C ATOM 1190 CG2 ILE C 32 5.529 10.251 -3.466 1.00 0.00 C ATOM 1191 CD1 ILE C 32 2.522 11.939 -5.197 1.00 0.00 C ATOM 0 H ILE C 32 1.603 10.429 -3.276 1.00 0.00 H new ATOM 0 HA ILE C 32 3.375 9.252 -5.174 1.00 0.00 H new ATOM 0 HB ILE C 32 3.636 10.982 -2.718 1.00 0.00 H new ATOM 0 HG12 ILE C 32 4.355 12.667 -4.320 1.00 0.00 H new ATOM 0 HG13 ILE C 32 4.594 11.472 -5.579 1.00 0.00 H new ATOM 0 HG21 ILE C 32 6.090 11.133 -3.155 1.00 0.00 H new ATOM 0 HG22 ILE C 32 5.612 9.480 -2.700 1.00 0.00 H new ATOM 0 HG23 ILE C 32 5.935 9.875 -4.405 1.00 0.00 H new ATOM 0 HD11 ILE C 32 2.492 12.727 -5.950 1.00 0.00 H new ATOM 0 HD12 ILE C 32 2.144 11.012 -5.627 1.00 0.00 H new ATOM 0 HD13 ILE C 32 1.901 12.225 -4.348 1.00 0.00 H new ATOM 1203 N ILE C 33 3.277 7.896 -2.168 1.00 0.00 N ATOM 1204 CA ILE C 33 3.707 6.715 -1.421 1.00 0.00 C ATOM 1205 C ILE C 33 3.313 5.433 -2.155 1.00 0.00 C ATOM 1206 O ILE C 33 4.116 4.507 -2.270 1.00 0.00 O ATOM 1207 CB ILE C 33 3.064 6.724 -0.024 1.00 0.00 C ATOM 1208 CG1 ILE C 33 3.683 7.837 0.828 1.00 0.00 C ATOM 1209 CG2 ILE C 33 3.289 5.380 0.674 1.00 0.00 C ATOM 1210 CD1 ILE C 33 2.797 8.091 2.054 1.00 0.00 C ATOM 0 H ILE C 33 2.630 8.507 -1.669 1.00 0.00 H new ATOM 0 HA ILE C 33 4.793 6.743 -1.329 1.00 0.00 H new ATOM 0 HB ILE C 33 1.994 6.898 -0.138 1.00 0.00 H new ATOM 0 HG12 ILE C 33 4.687 7.553 1.143 1.00 0.00 H new ATOM 0 HG13 ILE C 33 3.780 8.750 0.240 1.00 0.00 H new ATOM 0 HG21 ILE C 33 2.828 5.401 1.662 1.00 0.00 H new ATOM 0 HG22 ILE C 33 2.840 4.583 0.081 1.00 0.00 H new ATOM 0 HG23 ILE C 33 4.359 5.198 0.776 1.00 0.00 H new ATOM 0 HD11 ILE C 33 3.235 8.883 2.662 1.00 0.00 H new ATOM 0 HD12 ILE C 33 1.802 8.393 1.727 1.00 0.00 H new ATOM 0 HD13 ILE C 33 2.723 7.178 2.645 1.00 0.00 H new ATOM 1222 N GLY C 34 2.081 5.377 -2.643 1.00 0.00 N ATOM 1223 CA GLY C 34 1.614 4.190 -3.352 1.00 0.00 C ATOM 1224 C GLY C 34 2.336 4.021 -4.686 1.00 0.00 C ATOM 1225 O GLY C 34 2.854 2.946 -4.993 1.00 0.00 O ATOM 0 H GLY C 34 1.394 6.127 -2.564 1.00 0.00 H new ATOM 0 HA2 GLY C 34 1.776 3.307 -2.734 1.00 0.00 H new ATOM 0 HA3 GLY C 34 0.540 4.265 -3.524 1.00 0.00 H new ATOM 1229 N ILE C 35 2.355 5.086 -5.479 1.00 0.00 N ATOM 1230 CA ILE C 35 3.002 5.054 -6.789 1.00 0.00 C ATOM 1231 C ILE C 35 4.515 4.854 -6.664 1.00 0.00 C ATOM 1232 O ILE C 35 5.110 4.086 -7.420 1.00 0.00 O ATOM 1233 CB ILE C 35 2.697 6.354 -7.538 1.00 0.00 C ATOM 1234 CG1 ILE C 35 1.204 6.395 -7.879 1.00 0.00 C ATOM 1235 CG2 ILE C 35 3.514 6.418 -8.832 1.00 0.00 C ATOM 1236 CD1 ILE C 35 0.820 7.796 -8.358 1.00 0.00 C ATOM 0 H ILE C 35 1.931 5.982 -5.240 1.00 0.00 H new ATOM 0 HA ILE C 35 2.606 4.207 -7.348 1.00 0.00 H new ATOM 0 HB ILE C 35 2.960 7.204 -6.908 1.00 0.00 H new ATOM 0 HG12 ILE C 35 0.978 5.662 -8.653 1.00 0.00 H new ATOM 0 HG13 ILE C 35 0.614 6.126 -7.003 1.00 0.00 H new ATOM 0 HG21 ILE C 35 3.290 7.346 -9.358 1.00 0.00 H new ATOM 0 HG22 ILE C 35 4.577 6.383 -8.593 1.00 0.00 H new ATOM 0 HG23 ILE C 35 3.257 5.570 -9.467 1.00 0.00 H new ATOM 0 HD11 ILE C 35 -0.243 7.820 -8.599 1.00 0.00 H new ATOM 0 HD12 ILE C 35 1.030 8.520 -7.570 1.00 0.00 H new ATOM 0 HD13 ILE C 35 1.399 8.048 -9.246 1.00 0.00 H new ATOM 1248 N LEU C 36 5.132 5.559 -5.721 1.00 0.00 N ATOM 1249 CA LEU C 36 6.577 5.461 -5.525 1.00 0.00 C ATOM 1250 C LEU C 36 6.976 4.038 -5.139 1.00 0.00 C ATOM 1251 O LEU C 36 7.953 3.495 -5.656 1.00 0.00 O ATOM 1252 CB LEU C 36 7.021 6.443 -4.430 1.00 0.00 C ATOM 1253 CG LEU C 36 8.539 6.353 -4.195 1.00 0.00 C ATOM 1254 CD1 LEU C 36 9.300 6.643 -5.499 1.00 0.00 C ATOM 1255 CD2 LEU C 36 8.936 7.380 -3.129 1.00 0.00 C ATOM 0 H LEU C 36 4.660 6.200 -5.084 1.00 0.00 H new ATOM 0 HA LEU C 36 7.072 5.715 -6.463 1.00 0.00 H new ATOM 0 HB2 LEU C 36 6.753 7.460 -4.717 1.00 0.00 H new ATOM 0 HB3 LEU C 36 6.492 6.224 -3.503 1.00 0.00 H new ATOM 0 HG LEU C 36 8.794 5.347 -3.860 1.00 0.00 H new ATOM 0 HD11 LEU C 36 10.373 6.576 -5.317 1.00 0.00 H new ATOM 0 HD12 LEU C 36 9.014 5.914 -6.257 1.00 0.00 H new ATOM 0 HD13 LEU C 36 9.054 7.646 -5.849 1.00 0.00 H new ATOM 0 HD21 LEU C 36 10.010 7.326 -2.954 1.00 0.00 H new ATOM 0 HD22 LEU C 36 8.675 8.381 -3.473 1.00 0.00 H new ATOM 0 HD23 LEU C 36 8.406 7.165 -2.201 1.00 0.00 H new ATOM 1267 N HIS C 37 6.211 3.435 -4.233 1.00 0.00 N ATOM 1268 CA HIS C 37 6.497 2.074 -3.795 1.00 0.00 C ATOM 1269 C HIS C 37 6.395 1.105 -4.967 1.00 0.00 C ATOM 1270 O HIS C 37 7.215 0.196 -5.108 1.00 0.00 O ATOM 1271 CB HIS C 37 5.516 1.649 -2.698 1.00 0.00 C ATOM 1272 CG HIS C 37 5.886 0.272 -2.218 1.00 0.00 C ATOM 1273 ND1 HIS C 37 6.298 0.022 -0.920 1.00 0.00 N ATOM 1274 CD2 HIS C 37 5.933 -0.935 -2.863 1.00 0.00 C ATOM 1275 CE1 HIS C 37 6.575 -1.293 -0.830 1.00 0.00 C ATOM 1276 NE2 HIS C 37 6.368 -1.921 -1.985 1.00 0.00 N ATOM 0 H HIS C 37 5.397 3.863 -3.792 1.00 0.00 H new ATOM 0 HA HIS C 37 7.512 2.051 -3.398 1.00 0.00 H new ATOM 0 HB2 HIS C 37 5.547 2.357 -1.870 1.00 0.00 H new ATOM 0 HB3 HIS C 37 4.496 1.652 -3.083 1.00 0.00 H new ATOM 0 HD2 HIS C 37 5.671 -1.097 -3.898 1.00 0.00 H new ATOM 0 HE1 HIS C 37 6.923 -1.779 0.070 1.00 0.00 H new ATOM 0 HE2 HIS C 37 6.500 -2.913 -2.183 1.00 0.00 H new ATOM 1284 N LEU C 38 5.376 1.295 -5.794 1.00 0.00 N ATOM 1285 CA LEU C 38 5.158 0.422 -6.943 1.00 0.00 C ATOM 1286 C LEU C 38 6.331 0.484 -7.919 1.00 0.00 C ATOM 1287 O LEU C 38 6.725 -0.536 -8.474 1.00 0.00 O ATOM 1288 CB LEU C 38 3.847 0.814 -7.655 1.00 0.00 C ATOM 1289 CG LEU C 38 2.649 0.089 -7.006 1.00 0.00 C ATOM 1290 CD1 LEU C 38 1.365 0.863 -7.287 1.00 0.00 C ATOM 1291 CD2 LEU C 38 2.511 -1.333 -7.575 1.00 0.00 C ATOM 0 H LEU C 38 4.689 2.042 -5.693 1.00 0.00 H new ATOM 0 HA LEU C 38 5.080 -0.604 -6.583 1.00 0.00 H new ATOM 0 HB2 LEU C 38 3.703 1.893 -7.598 1.00 0.00 H new ATOM 0 HB3 LEU C 38 3.908 0.556 -8.712 1.00 0.00 H new ATOM 0 HG LEU C 38 2.820 0.031 -5.931 1.00 0.00 H new ATOM 0 HD11 LEU C 38 0.522 0.348 -6.827 1.00 0.00 H new ATOM 0 HD12 LEU C 38 1.447 1.867 -6.871 1.00 0.00 H new ATOM 0 HD13 LEU C 38 1.207 0.928 -8.364 1.00 0.00 H new ATOM 0 HD21 LEU C 38 1.662 -1.831 -7.107 1.00 0.00 H new ATOM 0 HD22 LEU C 38 2.353 -1.280 -8.652 1.00 0.00 H new ATOM 0 HD23 LEU C 38 3.421 -1.897 -7.369 1.00 0.00 H new ATOM 1303 N ILE C 39 6.878 1.672 -8.137 1.00 0.00 N ATOM 1304 CA ILE C 39 7.994 1.804 -9.065 1.00 0.00 C ATOM 1305 C ILE C 39 9.197 0.999 -8.574 1.00 0.00 C ATOM 1306 O ILE C 39 9.839 0.293 -9.351 1.00 0.00 O ATOM 1307 CB ILE C 39 8.384 3.279 -9.208 1.00 0.00 C ATOM 1308 CG1 ILE C 39 7.256 4.039 -9.909 1.00 0.00 C ATOM 1309 CG2 ILE C 39 9.665 3.400 -10.044 1.00 0.00 C ATOM 1310 CD1 ILE C 39 7.514 5.544 -9.811 1.00 0.00 C ATOM 0 H ILE C 39 6.576 2.541 -7.696 1.00 0.00 H new ATOM 0 HA ILE C 39 7.684 1.416 -10.036 1.00 0.00 H new ATOM 0 HB ILE C 39 8.555 3.700 -8.217 1.00 0.00 H new ATOM 0 HG12 ILE C 39 7.195 3.737 -10.955 1.00 0.00 H new ATOM 0 HG13 ILE C 39 6.298 3.793 -9.450 1.00 0.00 H new ATOM 0 HG21 ILE C 39 9.937 4.451 -10.142 1.00 0.00 H new ATOM 0 HG22 ILE C 39 10.474 2.860 -9.551 1.00 0.00 H new ATOM 0 HG23 ILE C 39 9.495 2.975 -11.033 1.00 0.00 H new ATOM 0 HD11 ILE C 39 6.710 6.084 -10.311 1.00 0.00 H new ATOM 0 HD12 ILE C 39 7.553 5.839 -8.762 1.00 0.00 H new ATOM 0 HD13 ILE C 39 8.464 5.782 -10.290 1.00 0.00 H new ATOM 1322 N LEU C 40 9.501 1.107 -7.284 1.00 0.00 N ATOM 1323 CA LEU C 40 10.634 0.379 -6.719 1.00 0.00 C ATOM 1324 C LEU C 40 10.347 -1.123 -6.632 1.00 0.00 C ATOM 1325 O LEU C 40 11.201 -1.947 -6.965 1.00 0.00 O ATOM 1326 CB LEU C 40 10.949 0.921 -5.322 1.00 0.00 C ATOM 1327 CG LEU C 40 11.418 2.383 -5.412 1.00 0.00 C ATOM 1328 CD1 LEU C 40 11.589 2.941 -3.994 1.00 0.00 C ATOM 1329 CD2 LEU C 40 12.761 2.474 -6.171 1.00 0.00 C ATOM 0 H LEU C 40 8.987 1.683 -6.617 1.00 0.00 H new ATOM 0 HA LEU C 40 11.490 0.524 -7.377 1.00 0.00 H new ATOM 0 HB2 LEU C 40 10.064 0.854 -4.690 1.00 0.00 H new ATOM 0 HB3 LEU C 40 11.722 0.312 -4.854 1.00 0.00 H new ATOM 0 HG LEU C 40 10.673 2.965 -5.955 1.00 0.00 H new ATOM 0 HD11 LEU C 40 11.922 3.978 -4.049 1.00 0.00 H new ATOM 0 HD12 LEU C 40 10.636 2.893 -3.467 1.00 0.00 H new ATOM 0 HD13 LEU C 40 12.331 2.350 -3.457 1.00 0.00 H new ATOM 0 HD21 LEU C 40 13.078 3.515 -6.226 1.00 0.00 H new ATOM 0 HD22 LEU C 40 13.517 1.891 -5.644 1.00 0.00 H new ATOM 0 HD23 LEU C 40 12.636 2.079 -7.179 1.00 0.00 H new ATOM 1341 N TRP C 41 9.150 -1.470 -6.165 1.00 0.00 N ATOM 1342 CA TRP C 41 8.760 -2.872 -6.013 1.00 0.00 C ATOM 1343 C TRP C 41 8.584 -3.564 -7.365 1.00 0.00 C ATOM 1344 O TRP C 41 9.075 -4.676 -7.562 1.00 0.00 O ATOM 1345 CB TRP C 41 7.467 -2.940 -5.194 1.00 0.00 C ATOM 1346 CG TRP C 41 6.877 -4.318 -5.223 1.00 0.00 C ATOM 1347 CD1 TRP C 41 7.234 -5.346 -4.417 1.00 0.00 C ATOM 1348 CD2 TRP C 41 5.792 -4.810 -6.055 1.00 0.00 C ATOM 1349 NE1 TRP C 41 6.451 -6.446 -4.726 1.00 0.00 N ATOM 1350 CE2 TRP C 41 5.544 -6.162 -5.726 1.00 0.00 C ATOM 1351 CE3 TRP C 41 5.011 -4.220 -7.061 1.00 0.00 C ATOM 1352 CZ2 TRP C 41 4.553 -6.898 -6.371 1.00 0.00 C ATOM 1353 CZ3 TRP C 41 4.008 -4.960 -7.707 1.00 0.00 C ATOM 1354 CH2 TRP C 41 3.781 -6.294 -7.362 1.00 0.00 C ATOM 0 H TRP C 41 8.433 -0.801 -5.885 1.00 0.00 H new ATOM 0 HA TRP C 41 9.557 -3.403 -5.491 1.00 0.00 H new ATOM 0 HB2 TRP C 41 7.671 -2.651 -4.163 1.00 0.00 H new ATOM 0 HB3 TRP C 41 6.746 -2.225 -5.589 1.00 0.00 H new ATOM 0 HD1 TRP C 41 8.002 -5.314 -3.659 1.00 0.00 H new ATOM 0 HE1 TRP C 41 6.535 -7.355 -4.270 1.00 0.00 H new ATOM 0 HE3 TRP C 41 5.183 -3.191 -7.340 1.00 0.00 H new ATOM 0 HZ2 TRP C 41 4.384 -7.931 -6.105 1.00 0.00 H new ATOM 0 HZ3 TRP C 41 3.408 -4.495 -8.475 1.00 0.00 H new ATOM 0 HH2 TRP C 41 3.008 -6.857 -7.863 1.00 0.00 H new ATOM 1365 N ILE C 42 7.888 -2.915 -8.291 1.00 0.00 N ATOM 1366 CA ILE C 42 7.674 -3.513 -9.605 1.00 0.00 C ATOM 1367 C ILE C 42 9.017 -3.677 -10.313 1.00 0.00 C ATOM 1368 O ILE C 42 9.278 -4.696 -10.950 1.00 0.00 O ATOM 1369 CB ILE C 42 6.714 -2.642 -10.444 1.00 0.00 C ATOM 1370 CG1 ILE C 42 6.126 -3.473 -11.610 1.00 0.00 C ATOM 1371 CG2 ILE C 42 7.465 -1.426 -11.012 1.00 0.00 C ATOM 1372 CD1 ILE C 42 4.907 -4.279 -11.134 1.00 0.00 C ATOM 0 H ILE C 42 7.470 -1.994 -8.162 1.00 0.00 H new ATOM 0 HA ILE C 42 7.216 -4.495 -9.484 1.00 0.00 H new ATOM 0 HB ILE C 42 5.904 -2.298 -9.801 1.00 0.00 H new ATOM 0 HG12 ILE C 42 5.836 -2.811 -12.426 1.00 0.00 H new ATOM 0 HG13 ILE C 42 6.886 -4.149 -12.002 1.00 0.00 H new ATOM 0 HG21 ILE C 42 6.779 -0.818 -11.602 1.00 0.00 H new ATOM 0 HG22 ILE C 42 7.865 -0.830 -10.192 1.00 0.00 H new ATOM 0 HG23 ILE C 42 8.284 -1.767 -11.645 1.00 0.00 H new ATOM 0 HD11 ILE C 42 4.506 -4.858 -11.966 1.00 0.00 H new ATOM 0 HD12 ILE C 42 5.208 -4.955 -10.334 1.00 0.00 H new ATOM 0 HD13 ILE C 42 4.142 -3.597 -10.764 1.00 0.00 H new ATOM 1384 N LEU C 43 9.867 -2.668 -10.174 1.00 0.00 N ATOM 1385 CA LEU C 43 11.192 -2.698 -10.778 1.00 0.00 C ATOM 1386 C LEU C 43 12.031 -3.814 -10.154 1.00 0.00 C ATOM 1387 O LEU C 43 12.788 -4.495 -10.843 1.00 0.00 O ATOM 1388 CB LEU C 43 11.877 -1.339 -10.578 1.00 0.00 C ATOM 1389 CG LEU C 43 13.310 -1.371 -11.128 1.00 0.00 C ATOM 1390 CD1 LEU C 43 13.308 -1.801 -12.604 1.00 0.00 C ATOM 1391 CD2 LEU C 43 13.916 0.032 -11.006 1.00 0.00 C ATOM 0 H LEU C 43 9.662 -1.818 -9.648 1.00 0.00 H new ATOM 0 HA LEU C 43 11.097 -2.895 -11.846 1.00 0.00 H new ATOM 0 HB2 LEU C 43 11.305 -0.560 -11.082 1.00 0.00 H new ATOM 0 HB3 LEU C 43 11.894 -1.087 -9.518 1.00 0.00 H new ATOM 0 HG LEU C 43 13.900 -2.088 -10.557 1.00 0.00 H new ATOM 0 HD11 LEU C 43 14.331 -1.819 -12.979 1.00 0.00 H new ATOM 0 HD12 LEU C 43 12.872 -2.796 -12.693 1.00 0.00 H new ATOM 0 HD13 LEU C 43 12.720 -1.094 -13.188 1.00 0.00 H new ATOM 0 HD21 LEU C 43 14.935 0.023 -11.393 1.00 0.00 H new ATOM 0 HD22 LEU C 43 13.316 0.739 -11.579 1.00 0.00 H new ATOM 0 HD23 LEU C 43 13.929 0.333 -9.958 1.00 0.00 H new ATOM 1403 N ASP C 44 11.891 -3.981 -8.844 1.00 0.00 N ATOM 1404 CA ASP C 44 12.641 -5.005 -8.120 1.00 0.00 C ATOM 1405 C ASP C 44 12.307 -6.402 -8.635 1.00 0.00 C ATOM 1406 O ASP C 44 13.157 -7.295 -8.617 1.00 0.00 O ATOM 1407 CB ASP C 44 12.321 -4.926 -6.626 1.00 0.00 C ATOM 1408 CG ASP C 44 13.321 -5.759 -5.832 1.00 0.00 C ATOM 1409 OD1 ASP C 44 14.398 -6.011 -6.350 1.00 0.00 O ATOM 1410 OD2 ASP C 44 12.997 -6.135 -4.718 1.00 0.00 O ATOM 0 H ASP C 44 11.267 -3.423 -8.261 1.00 0.00 H new ATOM 0 HA ASP C 44 13.703 -4.821 -8.282 1.00 0.00 H new ATOM 0 HB2 ASP C 44 12.355 -3.889 -6.293 1.00 0.00 H new ATOM 0 HB3 ASP C 44 11.309 -5.287 -6.443 1.00 0.00 H new ATOM 1628 N VAL D 27 -7.443 8.615 8.008 1.00 0.00 N ATOM 1629 CA VAL D 27 -6.553 9.405 7.159 1.00 0.00 C ATOM 1630 C VAL D 27 -5.117 9.368 7.679 1.00 0.00 C ATOM 1631 O VAL D 27 -4.179 9.067 6.934 1.00 0.00 O ATOM 1632 CB VAL D 27 -7.040 10.858 7.122 1.00 0.00 C ATOM 1633 CG1 VAL D 27 -6.049 11.718 6.333 1.00 0.00 C ATOM 1634 CG2 VAL D 27 -8.419 10.922 6.456 1.00 0.00 C ATOM 0 HA VAL D 27 -6.568 8.977 6.157 1.00 0.00 H new ATOM 0 HB VAL D 27 -7.112 11.237 8.141 1.00 0.00 H new ATOM 0 HG11 VAL D 27 -6.400 12.750 6.310 1.00 0.00 H new ATOM 0 HG12 VAL D 27 -5.071 11.678 6.812 1.00 0.00 H new ATOM 0 HG13 VAL D 27 -5.969 11.339 5.314 1.00 0.00 H new ATOM 0 HG21 VAL D 27 -8.763 11.956 6.431 1.00 0.00 H new ATOM 0 HG22 VAL D 27 -8.350 10.538 5.438 1.00 0.00 H new ATOM 0 HG23 VAL D 27 -9.126 10.318 7.025 1.00 0.00 H new ATOM 1644 N VAL D 28 -4.951 9.657 8.964 1.00 0.00 N ATOM 1645 CA VAL D 28 -3.624 9.639 9.559 1.00 0.00 C ATOM 1646 C VAL D 28 -3.080 8.221 9.577 1.00 0.00 C ATOM 1647 O VAL D 28 -1.920 7.990 9.260 1.00 0.00 O ATOM 1648 CB VAL D 28 -3.665 10.195 10.984 1.00 0.00 C ATOM 1649 CG1 VAL D 28 -4.031 11.678 10.940 1.00 0.00 C ATOM 1650 CG2 VAL D 28 -4.711 9.437 11.803 1.00 0.00 C ATOM 0 H VAL D 28 -5.706 9.903 9.604 1.00 0.00 H new ATOM 0 HA VAL D 28 -2.969 10.268 8.957 1.00 0.00 H new ATOM 0 HB VAL D 28 -2.686 10.073 11.448 1.00 0.00 H new ATOM 0 HG11 VAL D 28 -4.061 12.076 11.954 1.00 0.00 H new ATOM 0 HG12 VAL D 28 -3.284 12.220 10.359 1.00 0.00 H new ATOM 0 HG13 VAL D 28 -5.009 11.798 10.475 1.00 0.00 H new ATOM 0 HG21 VAL D 28 -4.738 9.835 12.817 1.00 0.00 H new ATOM 0 HG22 VAL D 28 -5.691 9.556 11.341 1.00 0.00 H new ATOM 0 HG23 VAL D 28 -4.451 8.379 11.836 1.00 0.00 H new ATOM 1660 N ALA D 29 -3.932 7.273 9.940 1.00 0.00 N ATOM 1661 CA ALA D 29 -3.516 5.880 9.987 1.00 0.00 C ATOM 1662 C ALA D 29 -2.978 5.452 8.630 1.00 0.00 C ATOM 1663 O ALA D 29 -1.974 4.748 8.545 1.00 0.00 O ATOM 1664 CB ALA D 29 -4.699 4.989 10.373 1.00 0.00 C ATOM 0 H ALA D 29 -4.903 7.440 10.203 1.00 0.00 H new ATOM 0 HA ALA D 29 -2.731 5.775 10.736 1.00 0.00 H new ATOM 0 HB1 ALA D 29 -4.376 3.949 10.405 1.00 0.00 H new ATOM 0 HB2 ALA D 29 -5.071 5.284 11.354 1.00 0.00 H new ATOM 0 HB3 ALA D 29 -5.494 5.099 9.635 1.00 0.00 H new ATOM 1670 N ALA D 30 -3.640 5.888 7.568 1.00 0.00 N ATOM 1671 CA ALA D 30 -3.208 5.537 6.223 1.00 0.00 C ATOM 1672 C ALA D 30 -1.767 5.979 5.994 1.00 0.00 C ATOM 1673 O ALA D 30 -0.966 5.237 5.426 1.00 0.00 O ATOM 1674 CB ALA D 30 -4.120 6.198 5.189 1.00 0.00 C ATOM 0 H ALA D 30 -4.470 6.479 7.610 1.00 0.00 H new ATOM 0 HA ALA D 30 -3.266 4.454 6.113 1.00 0.00 H new ATOM 0 HB1 ALA D 30 -3.788 5.929 4.186 1.00 0.00 H new ATOM 0 HB2 ALA D 30 -5.144 5.856 5.336 1.00 0.00 H new ATOM 0 HB3 ALA D 30 -4.078 7.281 5.307 1.00 0.00 H new ATOM 1680 N SER D 31 -1.438 7.191 6.434 1.00 0.00 N ATOM 1681 CA SER D 31 -0.079 7.702 6.259 1.00 0.00 C ATOM 1682 C SER D 31 0.936 6.799 6.967 1.00 0.00 C ATOM 1683 O SER D 31 1.967 6.443 6.398 1.00 0.00 O ATOM 1684 CB SER D 31 0.020 9.121 6.817 1.00 0.00 C ATOM 1685 OG SER D 31 -0.845 9.976 6.082 1.00 0.00 O ATOM 0 H SER D 31 -2.079 7.828 6.906 1.00 0.00 H new ATOM 0 HA SER D 31 0.148 7.713 5.193 1.00 0.00 H new ATOM 0 HB2 SER D 31 -0.253 9.129 7.872 1.00 0.00 H new ATOM 0 HB3 SER D 31 1.047 9.479 6.750 1.00 0.00 H new ATOM 0 HG SER D 31 -0.785 10.887 6.439 1.00 0.00 H new ATOM 1691 N ILE D 32 0.626 6.427 8.207 1.00 0.00 N ATOM 1692 CA ILE D 32 1.504 5.555 8.990 1.00 0.00 C ATOM 1693 C ILE D 32 1.563 4.152 8.377 1.00 0.00 C ATOM 1694 O ILE D 32 2.628 3.543 8.325 1.00 0.00 O ATOM 1695 CB ILE D 32 1.032 5.504 10.463 1.00 0.00 C ATOM 1696 CG1 ILE D 32 1.507 6.763 11.221 1.00 0.00 C ATOM 1697 CG2 ILE D 32 1.609 4.268 11.171 1.00 0.00 C ATOM 1698 CD1 ILE D 32 1.236 8.032 10.406 1.00 0.00 C ATOM 0 H ILE D 32 -0.224 6.714 8.692 1.00 0.00 H new ATOM 0 HA ILE D 32 2.513 5.966 8.970 1.00 0.00 H new ATOM 0 HB ILE D 32 -0.057 5.456 10.463 1.00 0.00 H new ATOM 0 HG12 ILE D 32 0.996 6.828 12.181 1.00 0.00 H new ATOM 0 HG13 ILE D 32 2.573 6.683 11.432 1.00 0.00 H new ATOM 0 HG21 ILE D 32 1.267 4.248 12.206 1.00 0.00 H new ATOM 0 HG22 ILE D 32 1.272 3.366 10.660 1.00 0.00 H new ATOM 0 HG23 ILE D 32 2.698 4.312 11.150 1.00 0.00 H new ATOM 0 HD11 ILE D 32 1.580 8.903 10.964 1.00 0.00 H new ATOM 0 HD12 ILE D 32 1.768 7.975 9.457 1.00 0.00 H new ATOM 0 HD13 ILE D 32 0.166 8.122 10.217 1.00 0.00 H new ATOM 1710 N ILE D 33 0.423 3.637 7.932 1.00 0.00 N ATOM 1711 CA ILE D 33 0.387 2.297 7.348 1.00 0.00 C ATOM 1712 C ILE D 33 1.295 2.212 6.120 1.00 0.00 C ATOM 1713 O ILE D 33 2.047 1.250 5.965 1.00 0.00 O ATOM 1714 CB ILE D 33 -1.055 1.945 6.947 1.00 0.00 C ATOM 1715 CG1 ILE D 33 -1.908 1.727 8.200 1.00 0.00 C ATOM 1716 CG2 ILE D 33 -1.076 0.667 6.102 1.00 0.00 C ATOM 1717 CD1 ILE D 33 -3.392 1.759 7.816 1.00 0.00 C ATOM 0 H ILE D 33 -0.477 4.116 7.962 1.00 0.00 H new ATOM 0 HA ILE D 33 0.746 1.588 8.094 1.00 0.00 H new ATOM 0 HB ILE D 33 -1.461 2.771 6.364 1.00 0.00 H new ATOM 0 HG12 ILE D 33 -1.660 0.770 8.660 1.00 0.00 H new ATOM 0 HG13 ILE D 33 -1.695 2.500 8.938 1.00 0.00 H new ATOM 0 HG21 ILE D 33 -2.103 0.430 5.826 1.00 0.00 H new ATOM 0 HG22 ILE D 33 -0.483 0.818 5.200 1.00 0.00 H new ATOM 0 HG23 ILE D 33 -0.656 -0.157 6.679 1.00 0.00 H new ATOM 0 HD11 ILE D 33 -4.002 1.604 8.706 1.00 0.00 H new ATOM 0 HD12 ILE D 33 -3.633 2.726 7.375 1.00 0.00 H new ATOM 0 HD13 ILE D 33 -3.598 0.969 7.093 1.00 0.00 H new ATOM 1729 N GLY D 34 1.219 3.212 5.251 1.00 0.00 N ATOM 1730 CA GLY D 34 2.042 3.214 4.047 1.00 0.00 C ATOM 1731 C GLY D 34 3.521 3.390 4.385 1.00 0.00 C ATOM 1732 O GLY D 34 4.370 2.627 3.924 1.00 0.00 O ATOM 0 H GLY D 34 0.606 4.021 5.354 1.00 0.00 H new ATOM 0 HA2 GLY D 34 1.900 2.279 3.505 1.00 0.00 H new ATOM 0 HA3 GLY D 34 1.720 4.018 3.385 1.00 0.00 H new ATOM 1736 N ILE D 35 3.819 4.410 5.181 1.00 0.00 N ATOM 1737 CA ILE D 35 5.197 4.698 5.571 1.00 0.00 C ATOM 1738 C ILE D 35 5.785 3.577 6.431 1.00 0.00 C ATOM 1739 O ILE D 35 6.936 3.180 6.245 1.00 0.00 O ATOM 1740 CB ILE D 35 5.244 6.030 6.327 1.00 0.00 C ATOM 1741 CG1 ILE D 35 4.903 7.165 5.356 1.00 0.00 C ATOM 1742 CG2 ILE D 35 6.646 6.258 6.901 1.00 0.00 C ATOM 1743 CD1 ILE D 35 4.653 8.457 6.138 1.00 0.00 C ATOM 0 H ILE D 35 3.127 5.051 5.569 1.00 0.00 H new ATOM 0 HA ILE D 35 5.803 4.767 4.667 1.00 0.00 H new ATOM 0 HB ILE D 35 4.524 6.008 7.145 1.00 0.00 H new ATOM 0 HG12 ILE D 35 5.720 7.309 4.649 1.00 0.00 H new ATOM 0 HG13 ILE D 35 4.019 6.905 4.773 1.00 0.00 H new ATOM 0 HG21 ILE D 35 6.670 7.207 7.437 1.00 0.00 H new ATOM 0 HG22 ILE D 35 6.895 5.448 7.587 1.00 0.00 H new ATOM 0 HG23 ILE D 35 7.372 6.281 6.089 1.00 0.00 H new ATOM 0 HD11 ILE D 35 4.411 9.262 5.444 1.00 0.00 H new ATOM 0 HD12 ILE D 35 3.821 8.310 6.827 1.00 0.00 H new ATOM 0 HD13 ILE D 35 5.548 8.721 6.701 1.00 0.00 H new ATOM 1755 N LEU D 36 4.997 3.080 7.381 1.00 0.00 N ATOM 1756 CA LEU D 36 5.461 2.019 8.273 1.00 0.00 C ATOM 1757 C LEU D 36 5.801 0.759 7.482 1.00 0.00 C ATOM 1758 O LEU D 36 6.829 0.123 7.723 1.00 0.00 O ATOM 1759 CB LEU D 36 4.377 1.707 9.315 1.00 0.00 C ATOM 1760 CG LEU D 36 4.833 0.585 10.262 1.00 0.00 C ATOM 1761 CD1 LEU D 36 6.140 0.981 10.969 1.00 0.00 C ATOM 1762 CD2 LEU D 36 3.738 0.343 11.307 1.00 0.00 C ATOM 0 H LEU D 36 4.041 3.391 7.553 1.00 0.00 H new ATOM 0 HA LEU D 36 6.363 2.361 8.780 1.00 0.00 H new ATOM 0 HB2 LEU D 36 4.151 2.605 9.891 1.00 0.00 H new ATOM 0 HB3 LEU D 36 3.457 1.411 8.811 1.00 0.00 H new ATOM 0 HG LEU D 36 5.009 -0.324 9.686 1.00 0.00 H new ATOM 0 HD11 LEU D 36 6.451 0.177 11.636 1.00 0.00 H new ATOM 0 HD12 LEU D 36 6.917 1.156 10.225 1.00 0.00 H new ATOM 0 HD13 LEU D 36 5.980 1.891 11.547 1.00 0.00 H new ATOM 0 HD21 LEU D 36 4.051 -0.451 11.985 1.00 0.00 H new ATOM 0 HD22 LEU D 36 3.568 1.258 11.875 1.00 0.00 H new ATOM 0 HD23 LEU D 36 2.815 0.050 10.806 1.00 0.00 H new ATOM 1774 N HIS D 37 4.938 0.404 6.536 1.00 0.00 N ATOM 1775 CA HIS D 37 5.166 -0.781 5.718 1.00 0.00 C ATOM 1776 C HIS D 37 6.451 -0.634 4.912 1.00 0.00 C ATOM 1777 O HIS D 37 7.227 -1.580 4.778 1.00 0.00 O ATOM 1778 CB HIS D 37 3.991 -1.004 4.763 1.00 0.00 C ATOM 1779 CG HIS D 37 4.222 -2.274 3.990 1.00 0.00 C ATOM 1780 ND1 HIS D 37 3.386 -3.373 4.096 1.00 0.00 N ATOM 1781 CD2 HIS D 37 5.207 -2.641 3.112 1.00 0.00 C ATOM 1782 CE1 HIS D 37 3.887 -4.339 3.303 1.00 0.00 C ATOM 1783 NE2 HIS D 37 4.995 -3.941 2.680 1.00 0.00 N ATOM 0 H HIS D 37 4.082 0.914 6.318 1.00 0.00 H new ATOM 0 HA HIS D 37 5.257 -1.640 6.383 1.00 0.00 H new ATOM 0 HB2 HIS D 37 3.058 -1.068 5.323 1.00 0.00 H new ATOM 0 HB3 HIS D 37 3.895 -0.160 4.080 1.00 0.00 H new ATOM 0 HD2 HIS D 37 6.027 -2.011 2.802 1.00 0.00 H new ATOM 0 HE1 HIS D 37 3.444 -5.317 3.186 1.00 0.00 H new ATOM 0 HE2 HIS D 37 5.565 -4.477 2.026 1.00 0.00 H new ATOM 1791 N LEU D 38 6.662 0.557 4.362 1.00 0.00 N ATOM 1792 CA LEU D 38 7.846 0.820 3.552 1.00 0.00 C ATOM 1793 C LEU D 38 9.125 0.653 4.366 1.00 0.00 C ATOM 1794 O LEU D 38 10.114 0.130 3.860 1.00 0.00 O ATOM 1795 CB LEU D 38 7.767 2.244 2.961 1.00 0.00 C ATOM 1796 CG LEU D 38 6.985 2.226 1.630 1.00 0.00 C ATOM 1797 CD1 LEU D 38 6.421 3.615 1.347 1.00 0.00 C ATOM 1798 CD2 LEU D 38 7.909 1.818 0.471 1.00 0.00 C ATOM 0 H LEU D 38 6.031 1.353 4.462 1.00 0.00 H new ATOM 0 HA LEU D 38 7.874 0.093 2.740 1.00 0.00 H new ATOM 0 HB2 LEU D 38 7.278 2.913 3.669 1.00 0.00 H new ATOM 0 HB3 LEU D 38 8.772 2.633 2.796 1.00 0.00 H new ATOM 0 HG LEU D 38 6.173 1.504 1.715 1.00 0.00 H new ATOM 0 HD11 LEU D 38 5.870 3.599 0.407 1.00 0.00 H new ATOM 0 HD12 LEU D 38 5.751 3.907 2.156 1.00 0.00 H new ATOM 0 HD13 LEU D 38 7.239 4.332 1.276 1.00 0.00 H new ATOM 0 HD21 LEU D 38 7.343 1.810 -0.460 1.00 0.00 H new ATOM 0 HD22 LEU D 38 8.729 2.532 0.391 1.00 0.00 H new ATOM 0 HD23 LEU D 38 8.311 0.823 0.659 1.00 0.00 H new ATOM 1810 N ILE D 39 9.116 1.103 5.613 1.00 0.00 N ATOM 1811 CA ILE D 39 10.309 0.985 6.443 1.00 0.00 C ATOM 1812 C ILE D 39 10.672 -0.486 6.650 1.00 0.00 C ATOM 1813 O ILE D 39 11.839 -0.864 6.542 1.00 0.00 O ATOM 1814 CB ILE D 39 10.068 1.654 7.803 1.00 0.00 C ATOM 1815 CG1 ILE D 39 9.926 3.165 7.606 1.00 0.00 C ATOM 1816 CG2 ILE D 39 11.255 1.377 8.732 1.00 0.00 C ATOM 1817 CD1 ILE D 39 9.421 3.803 8.902 1.00 0.00 C ATOM 0 H ILE D 39 8.315 1.544 6.066 1.00 0.00 H new ATOM 0 HA ILE D 39 11.135 1.484 5.936 1.00 0.00 H new ATOM 0 HB ILE D 39 9.157 1.252 8.247 1.00 0.00 H new ATOM 0 HG12 ILE D 39 10.886 3.598 7.325 1.00 0.00 H new ATOM 0 HG13 ILE D 39 9.232 3.373 6.791 1.00 0.00 H new ATOM 0 HG21 ILE D 39 11.081 1.853 9.697 1.00 0.00 H new ATOM 0 HG22 ILE D 39 11.364 0.302 8.873 1.00 0.00 H new ATOM 0 HG23 ILE D 39 12.166 1.779 8.288 1.00 0.00 H new ATOM 0 HD11 ILE D 39 9.320 4.879 8.762 1.00 0.00 H new ATOM 0 HD12 ILE D 39 8.452 3.378 9.163 1.00 0.00 H new ATOM 0 HD13 ILE D 39 10.131 3.607 9.705 1.00 0.00 H new ATOM 1829 N LEU D 40 9.675 -1.310 6.951 1.00 0.00 N ATOM 1830 CA LEU D 40 9.921 -2.732 7.171 1.00 0.00 C ATOM 1831 C LEU D 40 10.260 -3.452 5.861 1.00 0.00 C ATOM 1832 O LEU D 40 11.179 -4.269 5.811 1.00 0.00 O ATOM 1833 CB LEU D 40 8.685 -3.379 7.805 1.00 0.00 C ATOM 1834 CG LEU D 40 8.439 -2.796 9.205 1.00 0.00 C ATOM 1835 CD1 LEU D 40 7.120 -3.354 9.754 1.00 0.00 C ATOM 1836 CD2 LEU D 40 9.596 -3.167 10.158 1.00 0.00 C ATOM 0 H LEU D 40 8.701 -1.024 7.048 1.00 0.00 H new ATOM 0 HA LEU D 40 10.775 -2.825 7.841 1.00 0.00 H new ATOM 0 HB2 LEU D 40 7.813 -3.209 7.174 1.00 0.00 H new ATOM 0 HB3 LEU D 40 8.824 -4.458 7.872 1.00 0.00 H new ATOM 0 HG LEU D 40 8.384 -1.710 9.134 1.00 0.00 H new ATOM 0 HD11 LEU D 40 6.938 -2.945 10.748 1.00 0.00 H new ATOM 0 HD12 LEU D 40 6.302 -3.073 9.090 1.00 0.00 H new ATOM 0 HD13 LEU D 40 7.182 -4.441 9.814 1.00 0.00 H new ATOM 0 HD21 LEU D 40 9.404 -2.745 11.145 1.00 0.00 H new ATOM 0 HD22 LEU D 40 9.670 -4.252 10.235 1.00 0.00 H new ATOM 0 HD23 LEU D 40 10.532 -2.766 9.768 1.00 0.00 H new ATOM 1848 N TRP D 41 9.499 -3.156 4.811 1.00 0.00 N ATOM 1849 CA TRP D 41 9.703 -3.786 3.507 1.00 0.00 C ATOM 1850 C TRP D 41 11.012 -3.338 2.856 1.00 0.00 C ATOM 1851 O TRP D 41 11.770 -4.166 2.352 1.00 0.00 O ATOM 1852 CB TRP D 41 8.507 -3.465 2.606 1.00 0.00 C ATOM 1853 CG TRP D 41 8.774 -3.861 1.185 1.00 0.00 C ATOM 1854 CD1 TRP D 41 8.601 -5.102 0.668 1.00 0.00 C ATOM 1855 CD2 TRP D 41 9.200 -3.016 0.082 1.00 0.00 C ATOM 1856 NE1 TRP D 41 8.925 -5.070 -0.679 1.00 0.00 N ATOM 1857 CE2 TRP D 41 9.293 -3.804 -1.086 1.00 0.00 C ATOM 1858 CE3 TRP D 41 9.520 -1.652 -0.014 1.00 0.00 C ATOM 1859 CZ2 TRP D 41 9.686 -3.256 -2.305 1.00 0.00 C ATOM 1860 CZ3 TRP D 41 9.909 -1.096 -1.242 1.00 0.00 C ATOM 1861 CH2 TRP D 41 9.991 -1.898 -2.384 1.00 0.00 C ATOM 0 H TRP D 41 8.733 -2.482 4.837 1.00 0.00 H new ATOM 0 HA TRP D 41 9.777 -4.864 3.648 1.00 0.00 H new ATOM 0 HB2 TRP D 41 7.623 -3.988 2.971 1.00 0.00 H new ATOM 0 HB3 TRP D 41 8.289 -2.398 2.654 1.00 0.00 H new ATOM 0 HD1 TRP D 41 8.266 -5.971 1.215 1.00 0.00 H new ATOM 0 HE1 TRP D 41 8.895 -5.883 -1.294 1.00 0.00 H new ATOM 0 HE3 TRP D 41 9.466 -1.026 0.864 1.00 0.00 H new ATOM 0 HZ2 TRP D 41 9.754 -3.880 -3.184 1.00 0.00 H new ATOM 0 HZ3 TRP D 41 10.146 -0.044 -1.305 1.00 0.00 H new ATOM 0 HH2 TRP D 41 10.291 -1.466 -3.327 1.00 0.00 H new ATOM 1872 N ILE D 42 11.276 -2.036 2.863 1.00 0.00 N ATOM 1873 CA ILE D 42 12.503 -1.531 2.258 1.00 0.00 C ATOM 1874 C ILE D 42 13.708 -2.077 3.021 1.00 0.00 C ATOM 1875 O ILE D 42 14.711 -2.469 2.429 1.00 0.00 O ATOM 1876 CB ILE D 42 12.508 0.013 2.258 1.00 0.00 C ATOM 1877 CG1 ILE D 42 13.539 0.540 1.232 1.00 0.00 C ATOM 1878 CG2 ILE D 42 12.866 0.542 3.657 1.00 0.00 C ATOM 1879 CD1 ILE D 42 12.923 0.585 -0.176 1.00 0.00 C ATOM 0 H ILE D 42 10.671 -1.324 3.272 1.00 0.00 H new ATOM 0 HA ILE D 42 12.559 -1.866 1.222 1.00 0.00 H new ATOM 0 HB ILE D 42 11.513 0.363 1.984 1.00 0.00 H new ATOM 0 HG12 ILE D 42 13.872 1.537 1.522 1.00 0.00 H new ATOM 0 HG13 ILE D 42 14.420 -0.102 1.230 1.00 0.00 H new ATOM 0 HG21 ILE D 42 12.866 1.632 3.645 1.00 0.00 H new ATOM 0 HG22 ILE D 42 12.131 0.188 4.379 1.00 0.00 H new ATOM 0 HG23 ILE D 42 13.855 0.182 3.940 1.00 0.00 H new ATOM 0 HD11 ILE D 42 13.662 0.958 -0.885 1.00 0.00 H new ATOM 0 HD12 ILE D 42 12.613 -0.418 -0.470 1.00 0.00 H new ATOM 0 HD13 ILE D 42 12.057 1.247 -0.173 1.00 0.00 H new ATOM 1891 N LEU D 43 13.585 -2.110 4.343 1.00 0.00 N ATOM 1892 CA LEU D 43 14.648 -2.624 5.195 1.00 0.00 C ATOM 1893 C LEU D 43 14.862 -4.115 4.930 1.00 0.00 C ATOM 1894 O LEU D 43 15.991 -4.600 4.919 1.00 0.00 O ATOM 1895 CB LEU D 43 14.283 -2.391 6.668 1.00 0.00 C ATOM 1896 CG LEU D 43 15.346 -3.001 7.592 1.00 0.00 C ATOM 1897 CD1 LEU D 43 16.737 -2.446 7.250 1.00 0.00 C ATOM 1898 CD2 LEU D 43 14.998 -2.652 9.043 1.00 0.00 C ATOM 0 H LEU D 43 12.759 -1.787 4.847 1.00 0.00 H new ATOM 0 HA LEU D 43 15.575 -2.097 4.970 1.00 0.00 H new ATOM 0 HB2 LEU D 43 14.196 -1.322 6.862 1.00 0.00 H new ATOM 0 HB3 LEU D 43 13.310 -2.834 6.882 1.00 0.00 H new ATOM 0 HG LEU D 43 15.362 -4.083 7.458 1.00 0.00 H new ATOM 0 HD11 LEU D 43 17.479 -2.889 7.915 1.00 0.00 H new ATOM 0 HD12 LEU D 43 16.983 -2.691 6.217 1.00 0.00 H new ATOM 0 HD13 LEU D 43 16.738 -1.363 7.376 1.00 0.00 H new ATOM 0 HD21 LEU D 43 15.746 -3.080 9.710 1.00 0.00 H new ATOM 0 HD22 LEU D 43 14.982 -1.569 9.163 1.00 0.00 H new ATOM 0 HD23 LEU D 43 14.017 -3.059 9.290 1.00 0.00 H new ATOM 1910 N ASP D 44 13.760 -4.833 4.730 1.00 0.00 N ATOM 1911 CA ASP D 44 13.821 -6.268 4.476 1.00 0.00 C ATOM 1912 C ASP D 44 14.611 -6.574 3.206 1.00 0.00 C ATOM 1913 O ASP D 44 15.258 -7.617 3.106 1.00 0.00 O ATOM 1914 CB ASP D 44 12.406 -6.834 4.341 1.00 0.00 C ATOM 1915 CG ASP D 44 12.444 -8.358 4.397 1.00 0.00 C ATOM 1916 OD1 ASP D 44 13.409 -8.890 4.921 1.00 0.00 O ATOM 1917 OD2 ASP D 44 11.505 -8.972 3.915 1.00 0.00 O ATOM 0 H ASP D 44 12.817 -4.445 4.739 1.00 0.00 H new ATOM 0 HA ASP D 44 14.329 -6.736 5.320 1.00 0.00 H new ATOM 0 HB2 ASP D 44 11.774 -6.449 5.141 1.00 0.00 H new ATOM 0 HB3 ASP D 44 11.964 -6.508 3.400 1.00 0.00 H new