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= -8.01! C(o=-8!,f=-8.9!) USER MOD Single : B 31 SER OG : rot 180:sc= 0 USER MOD Single : B 37 HIS : no HD1:sc= -8.15! C(o=-8.2!,f=-9.6!) USER MOD Single : C 31 SER OG : rot 180:sc= 0 USER MOD Single : C 37 HIS : no HD1:sc= -7.85! C(o=-7.8!,f=-9.3!) USER MOD Single : D 31 SER OG : rot 180:sc= 0 USER MOD Single : D 37 HIS : no HD1:sc= -8.67! C(o=-8.7!,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 107 N VAL A 27 -13.158 5.056 0.925 1.00 0.00 N ATOM 108 CA VAL A 27 -12.018 5.384 1.774 1.00 0.00 C ATOM 109 C VAL A 27 -11.827 4.315 2.851 1.00 0.00 C ATOM 110 O VAL A 27 -10.698 3.958 3.199 1.00 0.00 O ATOM 111 CB VAL A 27 -12.226 6.759 2.419 1.00 0.00 C ATOM 112 CG1 VAL A 27 -12.764 7.739 1.373 1.00 0.00 C ATOM 113 CG2 VAL A 27 -13.218 6.662 3.582 1.00 0.00 C ATOM 0 HA VAL A 27 -11.119 5.414 1.158 1.00 0.00 H new ATOM 0 HB VAL A 27 -11.269 7.114 2.801 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -12.912 8.716 1.832 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -12.049 7.827 0.555 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -13.715 7.372 0.986 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -13.353 7.647 4.028 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -14.176 6.296 3.213 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -12.831 5.974 4.334 1.00 0.00 H new ATOM 123 N VAL A 28 -12.940 3.809 3.370 1.00 0.00 N ATOM 124 CA VAL A 28 -12.891 2.783 4.402 1.00 0.00 C ATOM 125 C VAL A 28 -12.182 1.544 3.872 1.00 0.00 C ATOM 126 O VAL A 28 -11.345 0.953 4.557 1.00 0.00 O ATOM 127 CB VAL A 28 -14.311 2.420 4.839 1.00 0.00 C ATOM 128 CG1 VAL A 28 -14.256 1.308 5.887 1.00 0.00 C ATOM 129 CG2 VAL A 28 -14.991 3.655 5.434 1.00 0.00 C ATOM 0 H VAL A 28 -13.881 4.091 3.095 1.00 0.00 H new ATOM 0 HA VAL A 28 -12.339 3.168 5.259 1.00 0.00 H new ATOM 0 HB VAL A 28 -14.880 2.073 3.976 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -15.269 1.050 6.198 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -13.773 0.429 5.460 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -13.687 1.651 6.752 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -16.003 3.398 5.746 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -14.423 4.003 6.297 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -15.032 4.445 4.684 1.00 0.00 H new ATOM 139 N ALA A 29 -12.516 1.155 2.645 1.00 0.00 N ATOM 140 CA ALA A 29 -11.898 -0.013 2.033 1.00 0.00 C ATOM 141 C ALA A 29 -10.391 0.180 1.930 1.00 0.00 C ATOM 142 O ALA A 29 -9.622 -0.762 2.112 1.00 0.00 O ATOM 143 CB ALA A 29 -12.478 -0.243 0.634 1.00 0.00 C ATOM 0 H ALA A 29 -13.205 1.628 2.060 1.00 0.00 H new ATOM 0 HA ALA A 29 -12.106 -0.881 2.658 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -12.009 -1.119 0.185 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -13.553 -0.405 0.708 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -12.285 0.631 0.012 1.00 0.00 H new ATOM 149 N ALA A 30 -9.972 1.408 1.641 1.00 0.00 N ATOM 150 CA ALA A 30 -8.551 1.703 1.519 1.00 0.00 C ATOM 151 C ALA A 30 -7.812 1.322 2.799 1.00 0.00 C ATOM 152 O ALA A 30 -6.779 0.655 2.754 1.00 0.00 O ATOM 153 CB ALA A 30 -8.351 3.191 1.223 1.00 0.00 C ATOM 0 H ALA A 30 -10.589 2.206 1.489 1.00 0.00 H new ATOM 0 HA ALA A 30 -8.144 1.116 0.696 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -7.286 3.404 1.133 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -8.852 3.447 0.290 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.772 3.783 2.035 1.00 0.00 H new ATOM 159 N SER A 31 -8.349 1.744 3.938 1.00 0.00 N ATOM 160 CA SER A 31 -7.733 1.430 5.224 1.00 0.00 C ATOM 161 C SER A 31 -7.694 -0.079 5.450 1.00 0.00 C ATOM 162 O SER A 31 -6.714 -0.616 5.964 1.00 0.00 O ATOM 163 CB SER A 31 -8.511 2.099 6.356 1.00 0.00 C ATOM 164 OG SER A 31 -8.568 3.500 6.121 1.00 0.00 O ATOM 0 H SER A 31 -9.202 2.300 3.999 1.00 0.00 H new ATOM 0 HA SER A 31 -6.711 1.809 5.215 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.518 1.687 6.414 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.029 1.898 7.313 1.00 0.00 H new ATOM 0 HG SER A 31 -9.068 3.933 6.844 1.00 0.00 H new ATOM 170 N ILE A 32 -8.771 -0.755 5.063 1.00 0.00 N ATOM 171 CA ILE A 32 -8.862 -2.203 5.225 1.00 0.00 C ATOM 172 C ILE A 32 -7.789 -2.907 4.396 1.00 0.00 C ATOM 173 O ILE A 32 -7.175 -3.867 4.854 1.00 0.00 O ATOM 174 CB ILE A 32 -10.255 -2.700 4.811 1.00 0.00 C ATOM 175 CG1 ILE A 32 -11.297 -2.183 5.814 1.00 0.00 C ATOM 176 CG2 ILE A 32 -10.278 -4.233 4.807 1.00 0.00 C ATOM 177 CD1 ILE A 32 -12.716 -2.441 5.287 1.00 0.00 C ATOM 0 H ILE A 32 -9.592 -0.325 4.636 1.00 0.00 H new ATOM 0 HA ILE A 32 -8.700 -2.439 6.277 1.00 0.00 H new ATOM 0 HB ILE A 32 -10.487 -2.331 3.812 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -11.163 -2.678 6.776 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -11.152 -1.116 5.982 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -11.268 -4.581 4.513 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -9.537 -4.606 4.100 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -10.045 -4.603 5.806 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -13.445 -2.070 6.008 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -12.850 -1.925 4.336 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -12.861 -3.512 5.143 1.00 0.00 H new ATOM 189 N ILE A 33 -7.576 -2.432 3.173 1.00 0.00 N ATOM 190 CA ILE A 33 -6.578 -3.041 2.294 1.00 0.00 C ATOM 191 C ILE A 33 -5.190 -2.964 2.923 1.00 0.00 C ATOM 192 O ILE A 33 -4.432 -3.932 2.881 1.00 0.00 O ATOM 193 CB ILE A 33 -6.572 -2.326 0.933 1.00 0.00 C ATOM 194 CG1 ILE A 33 -7.872 -2.645 0.187 1.00 0.00 C ATOM 195 CG2 ILE A 33 -5.366 -2.787 0.097 1.00 0.00 C ATOM 196 CD1 ILE A 33 -8.007 -1.715 -1.020 1.00 0.00 C ATOM 0 H ILE A 33 -8.073 -1.638 2.770 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.838 -4.090 2.150 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.497 -1.250 1.093 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -7.871 -3.685 -0.140 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -8.726 -2.521 0.853 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -5.372 -2.274 -0.865 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.444 -2.551 0.628 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -5.426 -3.863 -0.066 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -8.931 -1.941 -1.552 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -8.027 -0.679 -0.681 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -7.159 -1.861 -1.689 1.00 0.00 H new ATOM 208 N GLY A 34 -4.857 -1.819 3.500 1.00 0.00 N ATOM 209 CA GLY A 34 -3.550 -1.658 4.123 1.00 0.00 C ATOM 210 C GLY A 34 -3.351 -2.670 5.247 1.00 0.00 C ATOM 211 O GLY A 34 -2.343 -3.378 5.284 1.00 0.00 O ATOM 0 H GLY A 34 -5.462 -0.999 3.550 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.768 -1.783 3.374 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.454 -0.647 4.518 1.00 0.00 H new ATOM 215 N ILE A 35 -4.311 -2.737 6.165 1.00 0.00 N ATOM 216 CA ILE A 35 -4.219 -3.671 7.284 1.00 0.00 C ATOM 217 C ILE A 35 -4.343 -5.119 6.807 1.00 0.00 C ATOM 218 O ILE A 35 -3.587 -5.989 7.239 1.00 0.00 O ATOM 219 CB ILE A 35 -5.323 -3.382 8.308 1.00 0.00 C ATOM 220 CG1 ILE A 35 -5.282 -1.904 8.733 1.00 0.00 C ATOM 221 CG2 ILE A 35 -5.134 -4.277 9.534 1.00 0.00 C ATOM 222 CD1 ILE A 35 -3.898 -1.532 9.278 1.00 0.00 C ATOM 0 H ILE A 35 -5.154 -2.162 6.158 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.242 -3.537 7.748 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.291 -3.590 7.852 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.525 -1.269 7.881 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.039 -1.719 9.495 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.920 -4.070 10.260 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.186 -5.323 9.232 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.162 -4.077 9.984 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.893 -0.482 9.572 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.669 -2.153 10.144 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.147 -1.696 8.506 1.00 0.00 H new ATOM 234 N LEU A 36 -5.307 -5.373 5.924 1.00 0.00 N ATOM 235 CA LEU A 36 -5.527 -6.723 5.408 1.00 0.00 C ATOM 236 C LEU A 36 -4.301 -7.213 4.649 1.00 0.00 C ATOM 237 O LEU A 36 -3.830 -8.333 4.862 1.00 0.00 O ATOM 238 CB LEU A 36 -6.742 -6.719 4.470 1.00 0.00 C ATOM 239 CG LEU A 36 -6.983 -8.120 3.881 1.00 0.00 C ATOM 240 CD1 LEU A 36 -7.210 -9.140 5.006 1.00 0.00 C ATOM 241 CD2 LEU A 36 -8.217 -8.071 2.973 1.00 0.00 C ATOM 0 H LEU A 36 -5.944 -4.668 5.553 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.709 -7.394 6.248 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.627 -6.392 5.016 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.582 -6.003 3.664 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.109 -8.425 3.306 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.379 -10.126 4.574 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.332 -9.172 5.651 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -8.080 -8.847 5.593 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -8.397 -9.059 2.550 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -9.085 -7.762 3.555 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.048 -7.357 2.167 1.00 0.00 H new ATOM 253 N HIS A 37 -3.779 -6.367 3.771 1.00 0.00 N ATOM 254 CA HIS A 37 -2.605 -6.728 2.991 1.00 0.00 C ATOM 255 C HIS A 37 -1.430 -7.010 3.915 1.00 0.00 C ATOM 256 O HIS A 37 -0.654 -7.940 3.683 1.00 0.00 O ATOM 257 CB HIS A 37 -2.235 -5.603 2.026 1.00 0.00 C ATOM 258 CG HIS A 37 -1.043 -6.033 1.218 1.00 0.00 C ATOM 259 ND1 HIS A 37 -1.098 -6.212 -0.153 1.00 0.00 N ATOM 260 CD2 HIS A 37 0.240 -6.348 1.583 1.00 0.00 C ATOM 261 CE1 HIS A 37 0.119 -6.621 -0.556 1.00 0.00 C ATOM 262 NE2 HIS A 37 0.971 -6.719 0.463 1.00 0.00 N ATOM 0 H HIS A 37 -4.147 -5.434 3.583 1.00 0.00 H new ATOM 0 HA HIS A 37 -2.838 -7.625 2.417 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -3.075 -5.377 1.369 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -2.008 -4.691 2.578 1.00 0.00 H new ATOM 0 HD2 HIS A 37 0.625 -6.313 2.592 1.00 0.00 H new ATOM 0 HE1 HIS A 37 0.374 -6.843 -1.582 1.00 0.00 H new ATOM 0 HE2 HIS A 37 1.949 -7.005 0.428 1.00 0.00 H new ATOM 270 N LEU A 38 -1.294 -6.194 4.952 1.00 0.00 N ATOM 271 CA LEU A 38 -0.193 -6.352 5.893 1.00 0.00 C ATOM 272 C LEU A 38 -0.243 -7.713 6.584 1.00 0.00 C ATOM 273 O LEU A 38 0.794 -8.337 6.790 1.00 0.00 O ATOM 274 CB LEU A 38 -0.221 -5.218 6.942 1.00 0.00 C ATOM 275 CG LEU A 38 0.550 -3.982 6.434 1.00 0.00 C ATOM 276 CD1 LEU A 38 0.186 -2.760 7.293 1.00 0.00 C ATOM 277 CD2 LEU A 38 2.071 -4.227 6.515 1.00 0.00 C ATOM 0 H LEU A 38 -1.927 -5.422 5.162 1.00 0.00 H new ATOM 0 HA LEU A 38 0.740 -6.296 5.332 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.253 -4.944 7.160 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.220 -5.569 7.875 1.00 0.00 H new ATOM 0 HG LEU A 38 0.275 -3.800 5.395 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.731 -1.887 6.934 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.886 -2.573 7.224 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.454 -2.953 8.332 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.601 -3.346 6.153 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.354 -4.421 7.550 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.334 -5.087 5.899 1.00 0.00 H new ATOM 289 N ILE A 39 -1.430 -8.172 6.950 1.00 0.00 N ATOM 290 CA ILE A 39 -1.532 -9.461 7.619 1.00 0.00 C ATOM 291 C ILE A 39 -1.010 -10.574 6.711 1.00 0.00 C ATOM 292 O ILE A 39 -0.201 -11.401 7.134 1.00 0.00 O ATOM 293 CB ILE A 39 -2.989 -9.738 8.001 1.00 0.00 C ATOM 294 CG1 ILE A 39 -3.434 -8.729 9.062 1.00 0.00 C ATOM 295 CG2 ILE A 39 -3.113 -11.154 8.569 1.00 0.00 C ATOM 296 CD1 ILE A 39 -4.955 -8.788 9.223 1.00 0.00 C ATOM 0 H ILE A 39 -2.315 -7.687 6.801 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.925 -9.434 8.524 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.618 -9.646 7.116 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.949 -8.949 10.013 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.128 -7.724 8.773 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.151 -11.348 8.840 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.793 -11.876 7.818 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -2.484 -11.247 9.454 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.269 -8.068 9.979 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.431 -8.547 8.273 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.250 -9.791 9.532 1.00 0.00 H new ATOM 308 N LEU A 40 -1.466 -10.591 5.463 1.00 0.00 N ATOM 309 CA LEU A 40 -1.018 -11.612 4.516 1.00 0.00 C ATOM 310 C LEU A 40 0.469 -11.442 4.177 1.00 0.00 C ATOM 311 O LEU A 40 1.213 -12.421 4.117 1.00 0.00 O ATOM 312 CB LEU A 40 -1.863 -11.548 3.230 1.00 0.00 C ATOM 313 CG LEU A 40 -3.182 -12.313 3.422 1.00 0.00 C ATOM 314 CD1 LEU A 40 -4.011 -11.652 4.525 1.00 0.00 C ATOM 315 CD2 LEU A 40 -3.976 -12.295 2.114 1.00 0.00 C ATOM 0 H LEU A 40 -2.136 -9.921 5.085 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.149 -12.587 4.985 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.071 -10.509 2.974 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.304 -11.976 2.398 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.961 -13.342 3.705 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.945 -12.199 4.656 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.449 -11.664 5.459 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.231 -10.621 4.247 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.912 -12.837 2.249 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.191 -11.264 1.833 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.391 -12.771 1.327 1.00 0.00 H new ATOM 327 N TRP A 41 0.892 -10.200 3.943 1.00 0.00 N ATOM 328 CA TRP A 41 2.285 -9.923 3.598 1.00 0.00 C ATOM 329 C TRP A 41 3.214 -10.200 4.781 1.00 0.00 C ATOM 330 O TRP A 41 4.327 -10.701 4.601 1.00 0.00 O ATOM 331 CB TRP A 41 2.418 -8.482 3.091 1.00 0.00 C ATOM 332 CG TRP A 41 3.862 -8.118 2.912 1.00 0.00 C ATOM 333 CD1 TRP A 41 4.618 -8.421 1.826 1.00 0.00 C ATOM 334 CD2 TRP A 41 4.710 -7.320 3.782 1.00 0.00 C ATOM 335 NE1 TRP A 41 5.888 -7.909 2.011 1.00 0.00 N ATOM 336 CE2 TRP A 41 5.990 -7.217 3.198 1.00 0.00 C ATOM 337 CE3 TRP A 41 4.500 -6.696 5.022 1.00 0.00 C ATOM 338 CZ2 TRP A 41 7.022 -6.523 3.819 1.00 0.00 C ATOM 339 CZ3 TRP A 41 5.539 -5.985 5.645 1.00 0.00 C ATOM 340 CH2 TRP A 41 6.797 -5.902 5.045 1.00 0.00 C ATOM 0 H TRP A 41 0.294 -9.375 3.986 1.00 0.00 H new ATOM 0 HA TRP A 41 2.591 -10.595 2.796 1.00 0.00 H new ATOM 0 HB2 TRP A 41 1.890 -8.374 2.144 1.00 0.00 H new ATOM 0 HB3 TRP A 41 1.949 -7.797 3.798 1.00 0.00 H new ATOM 0 HD1 TRP A 41 4.282 -8.972 0.960 1.00 0.00 H new ATOM 0 HE1 TRP A 41 6.656 -8.029 1.350 1.00 0.00 H new ATOM 0 HE3 TRP A 41 3.534 -6.763 5.500 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 7.994 -6.466 3.353 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 5.364 -5.500 6.594 1.00 0.00 H new ATOM 0 HH2 TRP A 41 7.594 -5.358 5.530 1.00 0.00 H new ATOM 351 N ILE A 42 2.753 -9.890 5.989 1.00 0.00 N ATOM 352 CA ILE A 42 3.561 -10.131 7.183 1.00 0.00 C ATOM 353 C ILE A 42 3.828 -11.630 7.323 1.00 0.00 C ATOM 354 O ILE A 42 4.953 -12.048 7.591 1.00 0.00 O ATOM 355 CB ILE A 42 2.813 -9.610 8.430 1.00 0.00 C ATOM 356 CG1 ILE A 42 2.954 -8.075 8.533 1.00 0.00 C ATOM 357 CG2 ILE A 42 3.357 -10.271 9.711 1.00 0.00 C ATOM 358 CD1 ILE A 42 4.280 -7.680 9.205 1.00 0.00 C ATOM 0 H ILE A 42 1.838 -9.477 6.168 1.00 0.00 H new ATOM 0 HA ILE A 42 4.511 -9.604 7.093 1.00 0.00 H new ATOM 0 HB ILE A 42 1.759 -9.868 8.327 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.903 -7.635 7.537 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.119 -7.668 9.104 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.815 -9.889 10.576 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.224 -11.351 9.648 1.00 0.00 H new ATOM 0 HG23 ILE A 42 4.417 -10.042 9.817 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.349 -6.594 9.263 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.318 -8.100 10.210 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.114 -8.066 8.619 1.00 0.00 H new ATOM 370 N LEU A 43 2.780 -12.424 7.139 1.00 0.00 N ATOM 371 CA LEU A 43 2.899 -13.872 7.246 1.00 0.00 C ATOM 372 C LEU A 43 3.835 -14.411 6.167 1.00 0.00 C ATOM 373 O LEU A 43 4.602 -15.345 6.408 1.00 0.00 O ATOM 374 CB LEU A 43 1.516 -14.523 7.113 1.00 0.00 C ATOM 375 CG LEU A 43 0.643 -14.169 8.330 1.00 0.00 C ATOM 376 CD1 LEU A 43 -0.806 -14.578 8.048 1.00 0.00 C ATOM 377 CD2 LEU A 43 1.147 -14.900 9.590 1.00 0.00 C ATOM 0 H LEU A 43 1.842 -12.091 6.916 1.00 0.00 H new ATOM 0 HA LEU A 43 3.316 -14.116 8.223 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.032 -14.182 6.198 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.621 -15.605 7.034 1.00 0.00 H new ATOM 0 HG LEU A 43 0.700 -13.095 8.504 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.428 -14.329 8.908 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.170 -14.045 7.170 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.852 -15.652 7.866 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.517 -14.637 10.440 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.105 -15.977 9.427 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.176 -14.604 9.795 1.00 0.00 H new ATOM 389 N ASP A 44 3.765 -13.826 4.975 1.00 0.00 N ATOM 390 CA ASP A 44 4.614 -14.269 3.875 1.00 0.00 C ATOM 391 C ASP A 44 6.077 -14.266 4.302 1.00 0.00 C ATOM 392 O ASP A 44 6.792 -15.248 4.103 1.00 0.00 O ATOM 393 CB ASP A 44 4.431 -13.342 2.672 1.00 0.00 C ATOM 394 CG ASP A 44 5.106 -13.942 1.443 1.00 0.00 C ATOM 395 OD1 ASP A 44 4.858 -15.102 1.162 1.00 0.00 O ATOM 396 OD2 ASP A 44 5.862 -13.230 0.802 1.00 0.00 O ATOM 0 H ASP A 44 3.138 -13.054 4.748 1.00 0.00 H new ATOM 0 HA ASP A 44 4.327 -15.284 3.599 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.369 -13.192 2.477 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.857 -12.363 2.889 1.00 0.00 H new ATOM 630 N VAL B 28 -9.735 8.278 -5.691 1.00 0.00 N ATOM 631 CA VAL B 28 -10.205 7.113 -6.428 1.00 0.00 C ATOM 632 C VAL B 28 -9.019 6.271 -6.887 1.00 0.00 C ATOM 633 O VAL B 28 -9.034 5.045 -6.775 1.00 0.00 O ATOM 634 CB VAL B 28 -11.021 7.560 -7.640 1.00 0.00 C ATOM 635 CG1 VAL B 28 -11.472 6.334 -8.435 1.00 0.00 C ATOM 636 CG2 VAL B 28 -12.246 8.344 -7.165 1.00 0.00 C ATOM 0 HA VAL B 28 -10.835 6.511 -5.773 1.00 0.00 H new ATOM 0 HB VAL B 28 -10.407 8.196 -8.278 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -12.054 6.655 -9.299 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -10.598 5.777 -8.773 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -12.086 5.695 -7.801 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -12.830 8.664 -8.028 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -12.860 7.708 -6.527 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -11.922 9.219 -6.601 1.00 0.00 H new ATOM 646 N ALA B 29 -7.990 6.938 -7.400 1.00 0.00 N ATOM 647 CA ALA B 29 -6.799 6.239 -7.864 1.00 0.00 C ATOM 648 C ALA B 29 -6.161 5.460 -6.720 1.00 0.00 C ATOM 649 O ALA B 29 -5.655 4.358 -6.916 1.00 0.00 O ATOM 650 CB ALA B 29 -5.787 7.238 -8.429 1.00 0.00 C ATOM 0 H ALA B 29 -7.957 7.952 -7.504 1.00 0.00 H new ATOM 0 HA ALA B 29 -7.093 5.542 -8.649 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -4.901 6.704 -8.773 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -6.234 7.775 -9.266 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -5.504 7.948 -7.652 1.00 0.00 H new ATOM 656 N ALA B 30 -6.192 6.038 -5.523 1.00 0.00 N ATOM 657 CA ALA B 30 -5.611 5.380 -4.358 1.00 0.00 C ATOM 658 C ALA B 30 -6.233 4.002 -4.160 1.00 0.00 C ATOM 659 O ALA B 30 -5.526 3.010 -3.982 1.00 0.00 O ATOM 660 CB ALA B 30 -5.839 6.232 -3.108 1.00 0.00 C ATOM 0 H ALA B 30 -6.608 6.950 -5.335 1.00 0.00 H new ATOM 0 HA ALA B 30 -4.540 5.263 -4.524 1.00 0.00 H new ATOM 0 HB1 ALA B 30 -5.402 5.733 -2.243 1.00 0.00 H new ATOM 0 HB2 ALA B 30 -5.369 7.206 -3.241 1.00 0.00 H new ATOM 0 HB3 ALA B 30 -6.909 6.364 -2.948 1.00 0.00 H new ATOM 666 N SER B 31 -7.559 3.946 -4.197 1.00 0.00 N ATOM 667 CA SER B 31 -8.266 2.682 -4.025 1.00 0.00 C ATOM 668 C SER B 31 -7.896 1.698 -5.131 1.00 0.00 C ATOM 669 O SER B 31 -7.727 0.504 -4.883 1.00 0.00 O ATOM 670 CB SER B 31 -9.773 2.924 -4.034 1.00 0.00 C ATOM 671 OG SER B 31 -10.093 3.875 -3.032 1.00 0.00 O ATOM 0 H SER B 31 -8.163 4.755 -4.343 1.00 0.00 H new ATOM 0 HA SER B 31 -7.972 2.253 -3.067 1.00 0.00 H new ATOM 0 HB2 SER B 31 -10.091 3.286 -5.012 1.00 0.00 H new ATOM 0 HB3 SER B 31 -10.305 1.991 -3.851 1.00 0.00 H new ATOM 0 HG SER B 31 -11.059 4.038 -3.032 1.00 0.00 H new ATOM 677 N ILE B 32 -7.775 2.210 -6.350 1.00 0.00 N ATOM 678 CA ILE B 32 -7.427 1.375 -7.494 1.00 0.00 C ATOM 679 C ILE B 32 -6.037 0.768 -7.312 1.00 0.00 C ATOM 680 O ILE B 32 -5.819 -0.399 -7.624 1.00 0.00 O ATOM 681 CB ILE B 32 -7.477 2.196 -8.789 1.00 0.00 C ATOM 682 CG1 ILE B 32 -8.931 2.586 -9.089 1.00 0.00 C ATOM 683 CG2 ILE B 32 -6.930 1.362 -9.953 1.00 0.00 C ATOM 684 CD1 ILE B 32 -8.981 3.619 -10.224 1.00 0.00 C ATOM 0 H ILE B 32 -7.912 3.196 -6.572 1.00 0.00 H new ATOM 0 HA ILE B 32 -8.154 0.566 -7.562 1.00 0.00 H new ATOM 0 HB ILE B 32 -6.870 3.094 -8.669 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -9.502 1.701 -9.368 1.00 0.00 H new ATOM 0 HG13 ILE B 32 -9.397 2.997 -8.193 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -6.968 1.949 -10.871 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -5.898 1.080 -9.745 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -7.535 0.463 -10.072 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -10.018 3.887 -10.427 1.00 0.00 H new ATOM 0 HD12 ILE B 32 -8.427 4.510 -9.930 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -8.534 3.194 -11.123 1.00 0.00 H new ATOM 696 N ILE B 33 -5.098 1.569 -6.818 1.00 0.00 N ATOM 697 CA ILE B 33 -3.734 1.092 -6.616 1.00 0.00 C ATOM 698 C ILE B 33 -3.715 -0.080 -5.636 1.00 0.00 C ATOM 699 O ILE B 33 -3.016 -1.068 -5.858 1.00 0.00 O ATOM 700 CB ILE B 33 -2.849 2.231 -6.084 1.00 0.00 C ATOM 701 CG1 ILE B 33 -2.649 3.272 -7.191 1.00 0.00 C ATOM 702 CG2 ILE B 33 -1.483 1.678 -5.640 1.00 0.00 C ATOM 703 CD1 ILE B 33 -2.023 4.537 -6.598 1.00 0.00 C ATOM 0 H ILE B 33 -5.254 2.541 -6.553 1.00 0.00 H new ATOM 0 HA ILE B 33 -3.342 0.752 -7.575 1.00 0.00 H new ATOM 0 HB ILE B 33 -3.336 2.694 -5.226 1.00 0.00 H new ATOM 0 HG12 ILE B 33 -2.006 2.868 -7.973 1.00 0.00 H new ATOM 0 HG13 ILE B 33 -3.605 3.511 -7.657 1.00 0.00 H new ATOM 0 HG21 ILE B 33 -0.865 2.494 -5.265 1.00 0.00 H new ATOM 0 HG22 ILE B 33 -1.628 0.940 -4.851 1.00 0.00 H new ATOM 0 HG23 ILE B 33 -0.987 1.208 -6.489 1.00 0.00 H new ATOM 0 HD11 ILE B 33 -1.881 5.277 -7.386 1.00 0.00 H new ATOM 0 HD12 ILE B 33 -2.683 4.945 -5.832 1.00 0.00 H new ATOM 0 HD13 ILE B 33 -1.059 4.292 -6.153 1.00 0.00 H new ATOM 715 N GLY B 34 -4.475 0.031 -4.556 1.00 0.00 N ATOM 716 CA GLY B 34 -4.515 -1.037 -3.567 1.00 0.00 C ATOM 717 C GLY B 34 -5.005 -2.342 -4.190 1.00 0.00 C ATOM 718 O GLY B 34 -4.363 -3.384 -4.053 1.00 0.00 O ATOM 0 H GLY B 34 -5.064 0.836 -4.344 1.00 0.00 H new ATOM 0 HA2 GLY B 34 -3.521 -1.183 -3.144 1.00 0.00 H new ATOM 0 HA3 GLY B 34 -5.173 -0.752 -2.746 1.00 0.00 H new ATOM 722 N ILE B 35 -6.144 -2.282 -4.875 1.00 0.00 N ATOM 723 CA ILE B 35 -6.703 -3.474 -5.511 1.00 0.00 C ATOM 724 C ILE B 35 -5.830 -3.938 -6.678 1.00 0.00 C ATOM 725 O ILE B 35 -5.565 -5.129 -6.828 1.00 0.00 O ATOM 726 CB ILE B 35 -8.118 -3.184 -6.022 1.00 0.00 C ATOM 727 CG1 ILE B 35 -8.992 -2.627 -4.885 1.00 0.00 C ATOM 728 CG2 ILE B 35 -8.741 -4.471 -6.566 1.00 0.00 C ATOM 729 CD1 ILE B 35 -9.012 -3.591 -3.693 1.00 0.00 C ATOM 0 H ILE B 35 -6.693 -1.432 -5.004 1.00 0.00 H new ATOM 0 HA ILE B 35 -6.736 -4.266 -4.763 1.00 0.00 H new ATOM 0 HB ILE B 35 -8.061 -2.442 -6.818 1.00 0.00 H new ATOM 0 HG12 ILE B 35 -8.609 -1.657 -4.568 1.00 0.00 H new ATOM 0 HG13 ILE B 35 -10.008 -2.467 -5.246 1.00 0.00 H new ATOM 0 HG21 ILE B 35 -9.747 -4.263 -6.929 1.00 0.00 H new ATOM 0 HG22 ILE B 35 -8.131 -4.852 -7.385 1.00 0.00 H new ATOM 0 HG23 ILE B 35 -8.789 -5.216 -5.772 1.00 0.00 H new ATOM 0 HD11 ILE B 35 -9.636 -3.177 -2.901 1.00 0.00 H new ATOM 0 HD12 ILE B 35 -9.417 -4.552 -4.009 1.00 0.00 H new ATOM 0 HD13 ILE B 35 -7.997 -3.730 -3.320 1.00 0.00 H new ATOM 741 N LEU B 36 -5.398 -2.990 -7.508 1.00 0.00 N ATOM 742 CA LEU B 36 -4.569 -3.319 -8.666 1.00 0.00 C ATOM 743 C LEU B 36 -3.251 -3.942 -8.222 1.00 0.00 C ATOM 744 O LEU B 36 -2.829 -4.973 -8.746 1.00 0.00 O ATOM 745 CB LEU B 36 -4.287 -2.043 -9.472 1.00 0.00 C ATOM 746 CG LEU B 36 -3.388 -2.347 -10.682 1.00 0.00 C ATOM 747 CD1 LEU B 36 -4.053 -3.390 -11.593 1.00 0.00 C ATOM 748 CD2 LEU B 36 -3.154 -1.051 -11.466 1.00 0.00 C ATOM 0 H LEU B 36 -5.606 -1.997 -7.402 1.00 0.00 H new ATOM 0 HA LEU B 36 -5.104 -4.038 -9.287 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -5.227 -1.608 -9.812 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -3.806 -1.303 -8.833 1.00 0.00 H new ATOM 0 HG LEU B 36 -2.437 -2.748 -10.332 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -3.405 -3.595 -12.445 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -4.218 -4.310 -11.033 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -5.009 -3.006 -11.949 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -2.517 -1.256 -12.326 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -4.110 -0.655 -11.808 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -2.668 -0.319 -10.821 1.00 0.00 H new ATOM 760 N HIS B 37 -2.609 -3.313 -7.244 1.00 0.00 N ATOM 761 CA HIS B 37 -1.343 -3.820 -6.738 1.00 0.00 C ATOM 762 C HIS B 37 -1.527 -5.219 -6.166 1.00 0.00 C ATOM 763 O HIS B 37 -0.677 -6.092 -6.350 1.00 0.00 O ATOM 764 CB HIS B 37 -0.792 -2.897 -5.652 1.00 0.00 C ATOM 765 CG HIS B 37 0.531 -3.440 -5.186 1.00 0.00 C ATOM 766 ND1 HIS B 37 1.722 -2.755 -5.367 1.00 0.00 N ATOM 767 CD2 HIS B 37 0.867 -4.615 -4.567 1.00 0.00 C ATOM 768 CE1 HIS B 37 2.708 -3.523 -4.867 1.00 0.00 C ATOM 769 NE2 HIS B 37 2.239 -4.667 -4.367 1.00 0.00 N ATOM 0 H HIS B 37 -2.941 -2.461 -6.791 1.00 0.00 H new ATOM 0 HA HIS B 37 -0.636 -3.858 -7.566 1.00 0.00 H new ATOM 0 HB2 HIS B 37 -0.670 -1.886 -6.041 1.00 0.00 H new ATOM 0 HB3 HIS B 37 -1.491 -2.835 -4.818 1.00 0.00 H new ATOM 0 HD2 HIS B 37 0.168 -5.386 -4.278 1.00 0.00 H new ATOM 0 HE1 HIS B 37 3.752 -3.246 -4.870 1.00 0.00 H new ATOM 0 HE2 HIS B 37 2.774 -5.418 -3.931 1.00 0.00 H new ATOM 777 N LEU B 38 -2.635 -5.422 -5.462 1.00 0.00 N ATOM 778 CA LEU B 38 -2.910 -6.716 -4.850 1.00 0.00 C ATOM 779 C LEU B 38 -3.015 -7.817 -5.900 1.00 0.00 C ATOM 780 O LEU B 38 -2.534 -8.925 -5.681 1.00 0.00 O ATOM 781 CB LEU B 38 -4.208 -6.647 -4.017 1.00 0.00 C ATOM 782 CG LEU B 38 -3.915 -6.161 -2.582 1.00 0.00 C ATOM 783 CD1 LEU B 38 -5.226 -5.728 -1.906 1.00 0.00 C ATOM 784 CD2 LEU B 38 -3.263 -7.292 -1.757 1.00 0.00 C ATOM 0 H LEU B 38 -3.351 -4.714 -5.302 1.00 0.00 H new ATOM 0 HA LEU B 38 -2.076 -6.960 -4.192 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -4.917 -5.972 -4.496 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -4.676 -7.631 -3.984 1.00 0.00 H new ATOM 0 HG LEU B 38 -3.229 -5.315 -2.631 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -5.017 -5.385 -0.893 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -5.679 -4.918 -2.477 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -5.913 -6.574 -1.868 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -3.062 -6.936 -0.747 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -3.939 -8.146 -1.713 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -2.328 -7.594 -2.229 1.00 0.00 H new ATOM 796 N ILE B 39 -3.645 -7.532 -7.029 1.00 0.00 N ATOM 797 CA ILE B 39 -3.782 -8.550 -8.061 1.00 0.00 C ATOM 798 C ILE B 39 -2.405 -8.997 -8.552 1.00 0.00 C ATOM 799 O ILE B 39 -2.128 -10.194 -8.633 1.00 0.00 O ATOM 800 CB ILE B 39 -4.602 -8.002 -9.234 1.00 0.00 C ATOM 801 CG1 ILE B 39 -6.040 -7.745 -8.771 1.00 0.00 C ATOM 802 CG2 ILE B 39 -4.616 -9.024 -10.374 1.00 0.00 C ATOM 803 CD1 ILE B 39 -6.779 -6.915 -9.822 1.00 0.00 C ATOM 0 H ILE B 39 -4.061 -6.628 -7.252 1.00 0.00 H new ATOM 0 HA ILE B 39 -4.299 -9.410 -7.636 1.00 0.00 H new ATOM 0 HB ILE B 39 -4.155 -7.072 -9.584 1.00 0.00 H new ATOM 0 HG12 ILE B 39 -6.556 -8.692 -8.613 1.00 0.00 H new ATOM 0 HG13 ILE B 39 -6.036 -7.220 -7.816 1.00 0.00 H new ATOM 0 HG21 ILE B 39 -5.200 -8.632 -11.207 1.00 0.00 H new ATOM 0 HG22 ILE B 39 -3.595 -9.215 -10.704 1.00 0.00 H new ATOM 0 HG23 ILE B 39 -5.063 -9.954 -10.023 1.00 0.00 H new ATOM 0 HD11 ILE B 39 -7.801 -6.734 -9.490 1.00 0.00 H new ATOM 0 HD12 ILE B 39 -6.268 -5.962 -9.959 1.00 0.00 H new ATOM 0 HD13 ILE B 39 -6.795 -7.457 -10.768 1.00 0.00 H new ATOM 815 N LEU B 40 -1.543 -8.037 -8.870 1.00 0.00 N ATOM 816 CA LEU B 40 -0.197 -8.366 -9.339 1.00 0.00 C ATOM 817 C LEU B 40 0.636 -9.018 -8.228 1.00 0.00 C ATOM 818 O LEU B 40 1.347 -9.992 -8.469 1.00 0.00 O ATOM 819 CB LEU B 40 0.505 -7.097 -9.854 1.00 0.00 C ATOM 820 CG LEU B 40 0.079 -6.801 -11.300 1.00 0.00 C ATOM 821 CD1 LEU B 40 -1.423 -6.518 -11.352 1.00 0.00 C ATOM 822 CD2 LEU B 40 0.841 -5.577 -11.817 1.00 0.00 C ATOM 0 H LEU B 40 -1.745 -7.039 -8.814 1.00 0.00 H new ATOM 0 HA LEU B 40 -0.288 -9.083 -10.155 1.00 0.00 H new ATOM 0 HB2 LEU B 40 0.256 -6.251 -9.214 1.00 0.00 H new ATOM 0 HB3 LEU B 40 1.586 -7.226 -9.806 1.00 0.00 H new ATOM 0 HG LEU B 40 0.306 -7.666 -11.923 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -1.718 -6.309 -12.380 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -1.970 -7.387 -10.987 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -1.653 -5.656 -10.726 1.00 0.00 H new ATOM 0 HD21 LEU B 40 0.539 -5.367 -12.843 1.00 0.00 H new ATOM 0 HD22 LEU B 40 0.615 -4.716 -11.189 1.00 0.00 H new ATOM 0 HD23 LEU B 40 1.912 -5.776 -11.788 1.00 0.00 H new ATOM 834 N TRP B 41 0.556 -8.465 -7.018 1.00 0.00 N ATOM 835 CA TRP B 41 1.318 -8.997 -5.889 1.00 0.00 C ATOM 836 C TRP B 41 0.811 -10.378 -5.476 1.00 0.00 C ATOM 837 O TRP B 41 1.601 -11.253 -5.112 1.00 0.00 O ATOM 838 CB TRP B 41 1.281 -8.002 -4.720 1.00 0.00 C ATOM 839 CG TRP B 41 1.896 -8.604 -3.493 1.00 0.00 C ATOM 840 CD1 TRP B 41 3.224 -8.650 -3.224 1.00 0.00 C ATOM 841 CD2 TRP B 41 1.229 -9.166 -2.327 1.00 0.00 C ATOM 842 NE1 TRP B 41 3.410 -9.257 -1.995 1.00 0.00 N ATOM 843 CE2 TRP B 41 2.211 -9.584 -1.403 1.00 0.00 C ATOM 844 CE3 TRP B 41 -0.118 -9.367 -1.993 1.00 0.00 C ATOM 845 CZ2 TRP B 41 1.867 -10.179 -0.193 1.00 0.00 C ATOM 846 CZ3 TRP B 41 -0.467 -9.957 -0.768 1.00 0.00 C ATOM 847 CH2 TRP B 41 0.524 -10.363 0.128 1.00 0.00 C ATOM 0 H TRP B 41 -0.024 -7.656 -6.795 1.00 0.00 H new ATOM 0 HA TRP B 41 2.356 -9.125 -6.196 1.00 0.00 H new ATOM 0 HB2 TRP B 41 1.817 -7.093 -4.993 1.00 0.00 H new ATOM 0 HB3 TRP B 41 0.250 -7.715 -4.513 1.00 0.00 H new ATOM 0 HD1 TRP B 41 4.008 -8.274 -3.864 1.00 0.00 H new ATOM 0 HE1 TRP B 41 4.323 -9.440 -1.579 1.00 0.00 H new ATOM 0 HE3 TRP B 41 -0.892 -9.066 -2.683 1.00 0.00 H new ATOM 0 HZ2 TRP B 41 2.638 -10.497 0.494 1.00 0.00 H new ATOM 0 HZ3 TRP B 41 -1.508 -10.098 -0.517 1.00 0.00 H new ATOM 0 HH2 TRP B 41 0.250 -10.819 1.068 1.00 0.00 H new ATOM 858 N ILE B 42 -0.500 -10.578 -5.547 1.00 0.00 N ATOM 859 CA ILE B 42 -1.079 -11.869 -5.188 1.00 0.00 C ATOM 860 C ILE B 42 -0.544 -12.945 -6.132 1.00 0.00 C ATOM 861 O ILE B 42 -0.153 -14.030 -5.700 1.00 0.00 O ATOM 862 CB ILE B 42 -2.619 -11.796 -5.290 1.00 0.00 C ATOM 863 CG1 ILE B 42 -3.201 -11.088 -4.048 1.00 0.00 C ATOM 864 CG2 ILE B 42 -3.225 -13.206 -5.421 1.00 0.00 C ATOM 865 CD1 ILE B 42 -3.359 -12.066 -2.871 1.00 0.00 C ATOM 0 H ILE B 42 -1.175 -9.874 -5.845 1.00 0.00 H new ATOM 0 HA ILE B 42 -0.804 -12.120 -4.164 1.00 0.00 H new ATOM 0 HB ILE B 42 -2.876 -11.224 -6.182 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -2.548 -10.266 -3.756 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -4.169 -10.653 -4.295 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -4.310 -13.131 -5.491 1.00 0.00 H new ATOM 0 HG22 ILE B 42 -2.836 -13.687 -6.318 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -2.959 -13.799 -4.546 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -3.771 -11.537 -2.011 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -4.033 -12.874 -3.157 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -2.386 -12.481 -2.609 1.00 0.00 H new ATOM 877 N LEU B 43 -0.533 -12.631 -7.421 1.00 0.00 N ATOM 878 CA LEU B 43 -0.049 -13.566 -8.429 1.00 0.00 C ATOM 879 C LEU B 43 1.434 -13.858 -8.214 1.00 0.00 C ATOM 880 O LEU B 43 1.887 -14.988 -8.404 1.00 0.00 O ATOM 881 CB LEU B 43 -0.272 -12.990 -9.832 1.00 0.00 C ATOM 882 CG LEU B 43 -1.777 -12.915 -10.142 1.00 0.00 C ATOM 883 CD1 LEU B 43 -1.990 -12.082 -11.410 1.00 0.00 C ATOM 884 CD2 LEU B 43 -2.359 -14.327 -10.354 1.00 0.00 C ATOM 0 H LEU B 43 -0.853 -11.737 -7.793 1.00 0.00 H new ATOM 0 HA LEU B 43 -0.606 -14.498 -8.336 1.00 0.00 H new ATOM 0 HB2 LEU B 43 0.171 -11.996 -9.900 1.00 0.00 H new ATOM 0 HB3 LEU B 43 0.229 -13.613 -10.573 1.00 0.00 H new ATOM 0 HG LEU B 43 -2.287 -12.450 -9.298 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -3.055 -12.026 -11.634 1.00 0.00 H new ATOM 0 HD12 LEU B 43 -1.598 -11.077 -11.255 1.00 0.00 H new ATOM 0 HD13 LEU B 43 -1.468 -12.550 -12.245 1.00 0.00 H new ATOM 0 HD21 LEU B 43 -3.424 -14.252 -10.572 1.00 0.00 H new ATOM 0 HD22 LEU B 43 -1.850 -14.809 -11.189 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -2.214 -14.920 -9.451 1.00 0.00 H new ATOM 896 N ASP B 44 2.190 -12.837 -7.824 1.00 0.00 N ATOM 897 CA ASP B 44 3.620 -13.009 -7.597 1.00 0.00 C ATOM 898 C ASP B 44 3.866 -14.155 -6.623 1.00 0.00 C ATOM 899 O ASP B 44 4.681 -15.040 -6.886 1.00 0.00 O ATOM 900 CB ASP B 44 4.215 -11.720 -7.027 1.00 0.00 C ATOM 901 CG ASP B 44 5.739 -11.801 -7.032 1.00 0.00 C ATOM 902 OD1 ASP B 44 6.291 -12.136 -8.066 1.00 0.00 O ATOM 903 OD2 ASP B 44 6.329 -11.527 -5.998 1.00 0.00 O ATOM 0 H ASP B 44 1.842 -11.892 -7.660 1.00 0.00 H new ATOM 0 HA ASP B 44 4.098 -13.241 -8.549 1.00 0.00 H new ATOM 0 HB2 ASP B 44 3.886 -10.865 -7.618 1.00 0.00 H new ATOM 0 HB3 ASP B 44 3.854 -11.562 -6.011 1.00 0.00 H new ATOM 1137 N VAL C 28 -1.958 13.899 -0.220 1.00 0.00 N ATOM 1138 CA VAL C 28 -1.143 13.924 -1.426 1.00 0.00 C ATOM 1139 C VAL C 28 0.015 12.942 -1.293 1.00 0.00 C ATOM 1140 O VAL C 28 0.321 12.198 -2.224 1.00 0.00 O ATOM 1141 CB VAL C 28 -0.604 15.335 -1.659 1.00 0.00 C ATOM 1142 CG1 VAL C 28 0.288 15.345 -2.902 1.00 0.00 C ATOM 1143 CG2 VAL C 28 -1.776 16.297 -1.858 1.00 0.00 C ATOM 0 HA VAL C 28 -1.759 13.632 -2.277 1.00 0.00 H new ATOM 0 HB VAL C 28 -0.018 15.649 -0.795 1.00 0.00 H new ATOM 0 HG11 VAL C 28 0.671 16.352 -3.067 1.00 0.00 H new ATOM 0 HG12 VAL C 28 1.122 14.658 -2.757 1.00 0.00 H new ATOM 0 HG13 VAL C 28 -0.293 15.032 -3.769 1.00 0.00 H new ATOM 0 HG21 VAL C 28 -1.395 17.305 -2.024 1.00 0.00 H new ATOM 0 HG22 VAL C 28 -2.362 15.983 -2.722 1.00 0.00 H new ATOM 0 HG23 VAL C 28 -2.407 16.290 -0.970 1.00 0.00 H new ATOM 1153 N ALA C 29 0.655 12.945 -0.128 1.00 0.00 N ATOM 1154 CA ALA C 29 1.776 12.046 0.113 1.00 0.00 C ATOM 1155 C ALA C 29 1.329 10.594 -0.022 1.00 0.00 C ATOM 1156 O ALA C 29 2.073 9.755 -0.527 1.00 0.00 O ATOM 1157 CB ALA C 29 2.343 12.280 1.515 1.00 0.00 C ATOM 0 H ALA C 29 0.419 13.553 0.656 1.00 0.00 H new ATOM 0 HA ALA C 29 2.550 12.250 -0.627 1.00 0.00 H new ATOM 0 HB1 ALA C 29 3.180 11.604 1.686 1.00 0.00 H new ATOM 0 HB2 ALA C 29 2.686 13.311 1.601 1.00 0.00 H new ATOM 0 HB3 ALA C 29 1.567 12.092 2.257 1.00 0.00 H new ATOM 1163 N ALA C 30 0.110 10.302 0.423 1.00 0.00 N ATOM 1164 CA ALA C 30 -0.412 8.941 0.337 1.00 0.00 C ATOM 1165 C ALA C 30 -0.381 8.452 -1.107 1.00 0.00 C ATOM 1166 O ALA C 30 0.092 7.351 -1.390 1.00 0.00 O ATOM 1167 CB ALA C 30 -1.849 8.888 0.867 1.00 0.00 C ATOM 0 H ALA C 30 -0.528 10.979 0.842 1.00 0.00 H new ATOM 0 HA ALA C 30 0.217 8.293 0.947 1.00 0.00 H new ATOM 0 HB1 ALA C 30 -2.225 7.867 0.797 1.00 0.00 H new ATOM 0 HB2 ALA C 30 -1.865 9.210 1.908 1.00 0.00 H new ATOM 0 HB3 ALA C 30 -2.480 9.549 0.273 1.00 0.00 H new ATOM 1173 N SER C 31 -0.886 9.278 -2.017 1.00 0.00 N ATOM 1174 CA SER C 31 -0.904 8.917 -3.433 1.00 0.00 C ATOM 1175 C SER C 31 0.515 8.714 -3.959 1.00 0.00 C ATOM 1176 O SER C 31 0.772 7.800 -4.742 1.00 0.00 O ATOM 1177 CB SER C 31 -1.600 10.010 -4.242 1.00 0.00 C ATOM 1178 OG SER C 31 -2.908 10.216 -3.724 1.00 0.00 O ATOM 0 H SER C 31 -1.285 10.193 -1.805 1.00 0.00 H new ATOM 0 HA SER C 31 -1.452 7.981 -3.540 1.00 0.00 H new ATOM 0 HB2 SER C 31 -1.027 10.936 -4.193 1.00 0.00 H new ATOM 0 HB3 SER C 31 -1.653 9.723 -5.292 1.00 0.00 H new ATOM 0 HG SER C 31 -3.357 10.918 -4.240 1.00 0.00 H new ATOM 1184 N ILE C 32 1.428 9.575 -3.525 1.00 0.00 N ATOM 1185 CA ILE C 32 2.821 9.490 -3.956 1.00 0.00 C ATOM 1186 C ILE C 32 3.448 8.174 -3.495 1.00 0.00 C ATOM 1187 O ILE C 32 4.191 7.543 -4.242 1.00 0.00 O ATOM 1188 CB ILE C 32 3.624 10.676 -3.405 1.00 0.00 C ATOM 1189 CG1 ILE C 32 3.143 11.971 -4.076 1.00 0.00 C ATOM 1190 CG2 ILE C 32 5.113 10.477 -3.706 1.00 0.00 C ATOM 1191 CD1 ILE C 32 3.739 13.190 -3.360 1.00 0.00 C ATOM 0 H ILE C 32 1.231 10.338 -2.877 1.00 0.00 H new ATOM 0 HA ILE C 32 2.844 9.524 -5.045 1.00 0.00 H new ATOM 0 HB ILE C 32 3.477 10.741 -2.327 1.00 0.00 H new ATOM 0 HG12 ILE C 32 3.437 11.977 -5.126 1.00 0.00 H new ATOM 0 HG13 ILE C 32 2.054 12.021 -4.050 1.00 0.00 H new ATOM 0 HG21 ILE C 32 5.680 11.321 -3.313 1.00 0.00 H new ATOM 0 HG22 ILE C 32 5.460 9.557 -3.235 1.00 0.00 H new ATOM 0 HG23 ILE C 32 5.261 10.411 -4.784 1.00 0.00 H new ATOM 0 HD11 ILE C 32 3.391 14.102 -3.844 1.00 0.00 H new ATOM 0 HD12 ILE C 32 3.423 13.190 -2.317 1.00 0.00 H new ATOM 0 HD13 ILE C 32 4.827 13.145 -3.409 1.00 0.00 H new ATOM 1203 N ILE C 33 3.156 7.775 -2.262 1.00 0.00 N ATOM 1204 CA ILE C 33 3.711 6.539 -1.721 1.00 0.00 C ATOM 1205 C ILE C 33 3.280 5.341 -2.563 1.00 0.00 C ATOM 1206 O ILE C 33 4.088 4.460 -2.855 1.00 0.00 O ATOM 1207 CB ILE C 33 3.254 6.346 -0.267 1.00 0.00 C ATOM 1208 CG1 ILE C 33 3.924 7.399 0.620 1.00 0.00 C ATOM 1209 CG2 ILE C 33 3.632 4.938 0.226 1.00 0.00 C ATOM 1210 CD1 ILE C 33 3.256 7.411 1.997 1.00 0.00 C ATOM 0 H ILE C 33 2.544 8.283 -1.623 1.00 0.00 H new ATOM 0 HA ILE C 33 4.798 6.611 -1.748 1.00 0.00 H new ATOM 0 HB ILE C 33 2.171 6.458 -0.215 1.00 0.00 H new ATOM 0 HG12 ILE C 33 4.987 7.180 0.722 1.00 0.00 H new ATOM 0 HG13 ILE C 33 3.844 8.383 0.157 1.00 0.00 H new ATOM 0 HG21 ILE C 33 3.303 4.813 1.258 1.00 0.00 H new ATOM 0 HG22 ILE C 33 3.148 4.190 -0.402 1.00 0.00 H new ATOM 0 HG23 ILE C 33 4.713 4.812 0.172 1.00 0.00 H new ATOM 0 HD11 ILE C 33 3.734 8.161 2.627 1.00 0.00 H new ATOM 0 HD12 ILE C 33 2.199 7.651 1.886 1.00 0.00 H new ATOM 0 HD13 ILE C 33 3.359 6.430 2.460 1.00 0.00 H new ATOM 1222 N GLY C 34 2.013 5.307 -2.948 1.00 0.00 N ATOM 1223 CA GLY C 34 1.514 4.200 -3.751 1.00 0.00 C ATOM 1224 C GLY C 34 2.269 4.100 -5.075 1.00 0.00 C ATOM 1225 O GLY C 34 2.767 3.033 -5.436 1.00 0.00 O ATOM 0 H GLY C 34 1.321 6.021 -2.722 1.00 0.00 H new ATOM 0 HA2 GLY C 34 1.620 3.267 -3.197 1.00 0.00 H new ATOM 0 HA3 GLY C 34 0.450 4.337 -3.944 1.00 0.00 H new ATOM 1229 N ILE C 35 2.353 5.214 -5.796 1.00 0.00 N ATOM 1230 CA ILE C 35 3.052 5.229 -7.079 1.00 0.00 C ATOM 1231 C ILE C 35 4.559 5.040 -6.889 1.00 0.00 C ATOM 1232 O ILE C 35 5.192 4.276 -7.618 1.00 0.00 O ATOM 1233 CB ILE C 35 2.799 6.555 -7.803 1.00 0.00 C ATOM 1234 CG1 ILE C 35 1.287 6.819 -7.918 1.00 0.00 C ATOM 1235 CG2 ILE C 35 3.421 6.505 -9.200 1.00 0.00 C ATOM 1236 CD1 ILE C 35 0.580 5.647 -8.610 1.00 0.00 C ATOM 0 H ILE C 35 1.951 6.109 -5.519 1.00 0.00 H new ATOM 0 HA ILE C 35 2.667 4.403 -7.677 1.00 0.00 H new ATOM 0 HB ILE C 35 3.255 7.363 -7.231 1.00 0.00 H new ATOM 0 HG12 ILE C 35 0.863 6.970 -6.925 1.00 0.00 H new ATOM 0 HG13 ILE C 35 1.115 7.737 -8.481 1.00 0.00 H new ATOM 0 HG21 ILE C 35 3.240 7.449 -9.713 1.00 0.00 H new ATOM 0 HG22 ILE C 35 4.495 6.339 -9.114 1.00 0.00 H new ATOM 0 HG23 ILE C 35 2.972 5.691 -9.769 1.00 0.00 H new ATOM 0 HD11 ILE C 35 -0.487 5.856 -8.680 1.00 0.00 H new ATOM 0 HD12 ILE C 35 0.990 5.515 -9.611 1.00 0.00 H new ATOM 0 HD13 ILE C 35 0.734 4.736 -8.031 1.00 0.00 H new ATOM 1248 N LEU C 36 5.128 5.745 -5.915 1.00 0.00 N ATOM 1249 CA LEU C 36 6.563 5.653 -5.651 1.00 0.00 C ATOM 1250 C LEU C 36 6.944 4.236 -5.243 1.00 0.00 C ATOM 1251 O LEU C 36 7.906 3.667 -5.758 1.00 0.00 O ATOM 1252 CB LEU C 36 6.938 6.630 -4.526 1.00 0.00 C ATOM 1253 CG LEU C 36 8.439 6.534 -4.198 1.00 0.00 C ATOM 1254 CD1 LEU C 36 9.280 6.846 -5.444 1.00 0.00 C ATOM 1255 CD2 LEU C 36 8.768 7.539 -3.088 1.00 0.00 C ATOM 0 H LEU C 36 4.623 6.382 -5.299 1.00 0.00 H new ATOM 0 HA LEU C 36 7.104 5.910 -6.561 1.00 0.00 H new ATOM 0 HB2 LEU C 36 6.691 7.649 -4.825 1.00 0.00 H new ATOM 0 HB3 LEU C 36 6.351 6.408 -3.635 1.00 0.00 H new ATOM 0 HG LEU C 36 8.673 5.522 -3.868 1.00 0.00 H new ATOM 0 HD11 LEU C 36 10.339 6.774 -5.196 1.00 0.00 H new ATOM 0 HD12 LEU C 36 9.043 6.131 -6.232 1.00 0.00 H new ATOM 0 HD13 LEU C 36 9.056 7.855 -5.791 1.00 0.00 H new ATOM 0 HD21 LEU C 36 9.829 7.480 -2.847 1.00 0.00 H new ATOM 0 HD22 LEU C 36 8.528 8.547 -3.427 1.00 0.00 H new ATOM 0 HD23 LEU C 36 8.181 7.305 -2.200 1.00 0.00 H new ATOM 1267 N HIS C 37 6.177 3.667 -4.322 1.00 0.00 N ATOM 1268 CA HIS C 37 6.444 2.314 -3.861 1.00 0.00 C ATOM 1269 C HIS C 37 6.348 1.333 -5.019 1.00 0.00 C ATOM 1270 O HIS C 37 7.147 0.402 -5.125 1.00 0.00 O ATOM 1271 CB HIS C 37 5.452 1.912 -2.770 1.00 0.00 C ATOM 1272 CG HIS C 37 5.789 0.525 -2.300 1.00 0.00 C ATOM 1273 ND1 HIS C 37 6.214 0.260 -1.008 1.00 0.00 N ATOM 1274 CD2 HIS C 37 5.795 -0.681 -2.949 1.00 0.00 C ATOM 1275 CE1 HIS C 37 6.459 -1.062 -0.927 1.00 0.00 C ATOM 1276 NE2 HIS C 37 6.218 -1.680 -2.082 1.00 0.00 N ATOM 0 H HIS C 37 5.373 4.117 -3.884 1.00 0.00 H new ATOM 0 HA HIS C 37 7.453 2.289 -3.450 1.00 0.00 H new ATOM 0 HB2 HIS C 37 5.500 2.615 -1.938 1.00 0.00 H new ATOM 0 HB3 HIS C 37 4.433 1.943 -3.156 1.00 0.00 H new ATOM 0 HD2 HIS C 37 5.513 -0.832 -3.980 1.00 0.00 H new ATOM 0 HE1 HIS C 37 6.808 -1.560 -0.035 1.00 0.00 H new ATOM 0 HE2 HIS C 37 6.322 -2.674 -2.286 1.00 0.00 H new ATOM 1284 N LEU C 38 5.357 1.540 -5.878 1.00 0.00 N ATOM 1285 CA LEU C 38 5.153 0.653 -7.016 1.00 0.00 C ATOM 1286 C LEU C 38 6.363 0.654 -7.945 1.00 0.00 C ATOM 1287 O LEU C 38 6.746 -0.394 -8.458 1.00 0.00 O ATOM 1288 CB LEU C 38 3.883 1.065 -7.793 1.00 0.00 C ATOM 1289 CG LEU C 38 2.631 0.391 -7.194 1.00 0.00 C ATOM 1290 CD1 LEU C 38 1.368 1.094 -7.716 1.00 0.00 C ATOM 1291 CD2 LEU C 38 2.585 -1.102 -7.589 1.00 0.00 C ATOM 0 H LEU C 38 4.688 2.307 -5.810 1.00 0.00 H new ATOM 0 HA LEU C 38 5.025 -0.360 -6.633 1.00 0.00 H new ATOM 0 HB2 LEU C 38 3.768 2.148 -7.762 1.00 0.00 H new ATOM 0 HB3 LEU C 38 3.986 0.785 -8.841 1.00 0.00 H new ATOM 0 HG LEU C 38 2.675 0.471 -6.108 1.00 0.00 H new ATOM 0 HD11 LEU C 38 0.484 0.617 -7.292 1.00 0.00 H new ATOM 0 HD12 LEU C 38 1.389 2.144 -7.424 1.00 0.00 H new ATOM 0 HD13 LEU C 38 1.334 1.021 -8.803 1.00 0.00 H new ATOM 0 HD21 LEU C 38 1.697 -1.565 -7.159 1.00 0.00 H new ATOM 0 HD22 LEU C 38 2.551 -1.190 -8.675 1.00 0.00 H new ATOM 0 HD23 LEU C 38 3.475 -1.606 -7.212 1.00 0.00 H new ATOM 1303 N ILE C 39 6.962 1.813 -8.173 1.00 0.00 N ATOM 1304 CA ILE C 39 8.118 1.869 -9.058 1.00 0.00 C ATOM 1305 C ILE C 39 9.255 1.011 -8.504 1.00 0.00 C ATOM 1306 O ILE C 39 9.836 0.202 -9.226 1.00 0.00 O ATOM 1307 CB ILE C 39 8.587 3.320 -9.215 1.00 0.00 C ATOM 1308 CG1 ILE C 39 7.511 4.122 -9.953 1.00 0.00 C ATOM 1309 CG2 ILE C 39 9.886 3.356 -10.027 1.00 0.00 C ATOM 1310 CD1 ILE C 39 7.817 5.618 -9.842 1.00 0.00 C ATOM 0 H ILE C 39 6.678 2.706 -7.770 1.00 0.00 H new ATOM 0 HA ILE C 39 7.829 1.479 -10.034 1.00 0.00 H new ATOM 0 HB ILE C 39 8.761 3.753 -8.230 1.00 0.00 H new ATOM 0 HG12 ILE C 39 7.477 3.825 -11.001 1.00 0.00 H new ATOM 0 HG13 ILE C 39 6.530 3.909 -9.529 1.00 0.00 H new ATOM 0 HG21 ILE C 39 10.218 4.388 -10.137 1.00 0.00 H new ATOM 0 HG22 ILE C 39 10.654 2.781 -9.510 1.00 0.00 H new ATOM 0 HG23 ILE C 39 9.711 2.924 -11.012 1.00 0.00 H new ATOM 0 HD11 ILE C 39 7.050 6.186 -10.368 1.00 0.00 H new ATOM 0 HD12 ILE C 39 7.829 5.910 -8.792 1.00 0.00 H new ATOM 0 HD13 ILE C 39 8.790 5.824 -10.287 1.00 0.00 H new ATOM 1322 N LEU C 40 9.564 1.185 -7.223 1.00 0.00 N ATOM 1323 CA LEU C 40 10.632 0.404 -6.600 1.00 0.00 C ATOM 1324 C LEU C 40 10.255 -1.081 -6.512 1.00 0.00 C ATOM 1325 O LEU C 40 11.078 -1.953 -6.786 1.00 0.00 O ATOM 1326 CB LEU C 40 10.939 0.955 -5.197 1.00 0.00 C ATOM 1327 CG LEU C 40 11.887 2.160 -5.293 1.00 0.00 C ATOM 1328 CD1 LEU C 40 11.211 3.292 -6.069 1.00 0.00 C ATOM 1329 CD2 LEU C 40 12.236 2.651 -3.885 1.00 0.00 C ATOM 0 H LEU C 40 9.100 1.848 -6.603 1.00 0.00 H new ATOM 0 HA LEU C 40 11.522 0.490 -7.223 1.00 0.00 H new ATOM 0 HB2 LEU C 40 10.013 1.251 -4.704 1.00 0.00 H new ATOM 0 HB3 LEU C 40 11.391 0.176 -4.584 1.00 0.00 H new ATOM 0 HG LEU C 40 12.796 1.858 -5.812 1.00 0.00 H new ATOM 0 HD11 LEU C 40 11.888 4.144 -6.134 1.00 0.00 H new ATOM 0 HD12 LEU C 40 10.964 2.948 -7.073 1.00 0.00 H new ATOM 0 HD13 LEU C 40 10.299 3.592 -5.554 1.00 0.00 H new ATOM 0 HD21 LEU C 40 12.909 3.506 -3.954 1.00 0.00 H new ATOM 0 HD22 LEU C 40 11.324 2.948 -3.367 1.00 0.00 H new ATOM 0 HD23 LEU C 40 12.724 1.849 -3.331 1.00 0.00 H new ATOM 1341 N TRP C 41 9.014 -1.361 -6.116 1.00 0.00 N ATOM 1342 CA TRP C 41 8.551 -2.741 -5.983 1.00 0.00 C ATOM 1343 C TRP C 41 8.451 -3.427 -7.345 1.00 0.00 C ATOM 1344 O TRP C 41 8.764 -4.614 -7.476 1.00 0.00 O ATOM 1345 CB TRP C 41 7.216 -2.774 -5.226 1.00 0.00 C ATOM 1346 CG TRP C 41 6.635 -4.155 -5.244 1.00 0.00 C ATOM 1347 CD1 TRP C 41 6.977 -5.159 -4.398 1.00 0.00 C ATOM 1348 CD2 TRP C 41 5.561 -4.674 -6.075 1.00 0.00 C ATOM 1349 NE1 TRP C 41 6.220 -6.275 -4.704 1.00 0.00 N ATOM 1350 CE2 TRP C 41 5.329 -6.021 -5.724 1.00 0.00 C ATOM 1351 CE3 TRP C 41 4.783 -4.120 -7.104 1.00 0.00 C ATOM 1352 CZ2 TRP C 41 4.365 -6.788 -6.368 1.00 0.00 C ATOM 1353 CZ3 TRP C 41 3.802 -4.889 -7.748 1.00 0.00 C ATOM 1354 CH2 TRP C 41 3.595 -6.221 -7.382 1.00 0.00 C ATOM 0 H TRP C 41 8.315 -0.655 -5.883 1.00 0.00 H new ATOM 0 HA TRP C 41 9.284 -3.302 -5.403 1.00 0.00 H new ATOM 0 HB2 TRP C 41 7.367 -2.450 -4.196 1.00 0.00 H new ATOM 0 HB3 TRP C 41 6.516 -2.073 -5.681 1.00 0.00 H new ATOM 0 HD1 TRP C 41 7.718 -5.097 -3.615 1.00 0.00 H new ATOM 0 HE1 TRP C 41 6.310 -7.175 -4.233 1.00 0.00 H new ATOM 0 HE3 TRP C 41 4.941 -3.094 -7.402 1.00 0.00 H new ATOM 0 HZ2 TRP C 41 4.213 -7.819 -6.084 1.00 0.00 H new ATOM 0 HZ3 TRP C 41 3.203 -4.448 -8.531 1.00 0.00 H new ATOM 0 HH2 TRP C 41 2.841 -6.810 -7.883 1.00 0.00 H new ATOM 1365 N ILE C 42 8.030 -2.680 -8.360 1.00 0.00 N ATOM 1366 CA ILE C 42 7.915 -3.239 -9.705 1.00 0.00 C ATOM 1367 C ILE C 42 9.295 -3.685 -10.190 1.00 0.00 C ATOM 1368 O ILE C 42 9.451 -4.775 -10.739 1.00 0.00 O ATOM 1369 CB ILE C 42 7.336 -2.176 -10.663 1.00 0.00 C ATOM 1370 CG1 ILE C 42 5.807 -2.070 -10.479 1.00 0.00 C ATOM 1371 CG2 ILE C 42 7.662 -2.525 -12.129 1.00 0.00 C ATOM 1372 CD1 ILE C 42 5.071 -3.152 -11.287 1.00 0.00 C ATOM 0 H ILE C 42 7.765 -1.698 -8.281 1.00 0.00 H new ATOM 0 HA ILE C 42 7.246 -4.099 -9.686 1.00 0.00 H new ATOM 0 HB ILE C 42 7.794 -1.216 -10.424 1.00 0.00 H new ATOM 0 HG12 ILE C 42 5.558 -2.169 -9.423 1.00 0.00 H new ATOM 0 HG13 ILE C 42 5.468 -1.083 -10.795 1.00 0.00 H new ATOM 0 HG21 ILE C 42 7.244 -1.762 -12.786 1.00 0.00 H new ATOM 0 HG22 ILE C 42 8.743 -2.566 -12.262 1.00 0.00 H new ATOM 0 HG23 ILE C 42 7.229 -3.494 -12.377 1.00 0.00 H new ATOM 0 HD11 ILE C 42 3.996 -3.051 -11.136 1.00 0.00 H new ATOM 0 HD12 ILE C 42 5.302 -3.035 -12.346 1.00 0.00 H new ATOM 0 HD13 ILE C 42 5.393 -4.138 -10.952 1.00 0.00 H new ATOM 1384 N LEU C 43 10.285 -2.827 -9.982 1.00 0.00 N ATOM 1385 CA LEU C 43 11.650 -3.126 -10.398 1.00 0.00 C ATOM 1386 C LEU C 43 12.184 -4.338 -9.637 1.00 0.00 C ATOM 1387 O LEU C 43 12.907 -5.163 -10.199 1.00 0.00 O ATOM 1388 CB LEU C 43 12.554 -1.913 -10.147 1.00 0.00 C ATOM 1389 CG LEU C 43 12.164 -0.758 -11.088 1.00 0.00 C ATOM 1390 CD1 LEU C 43 12.872 0.522 -10.634 1.00 0.00 C ATOM 1391 CD2 LEU C 43 12.570 -1.081 -12.540 1.00 0.00 C ATOM 0 H LEU C 43 10.170 -1.920 -9.529 1.00 0.00 H new ATOM 0 HA LEU C 43 11.647 -3.354 -11.464 1.00 0.00 H new ATOM 0 HB2 LEU C 43 12.465 -1.592 -9.109 1.00 0.00 H new ATOM 0 HB3 LEU C 43 13.597 -2.187 -10.308 1.00 0.00 H new ATOM 0 HG LEU C 43 11.083 -0.621 -11.050 1.00 0.00 H new ATOM 0 HD11 LEU C 43 12.599 1.343 -11.297 1.00 0.00 H new ATOM 0 HD12 LEU C 43 12.570 0.763 -9.615 1.00 0.00 H new ATOM 0 HD13 LEU C 43 13.951 0.372 -10.667 1.00 0.00 H new ATOM 0 HD21 LEU C 43 12.286 -0.253 -13.190 1.00 0.00 H new ATOM 0 HD22 LEU C 43 13.649 -1.230 -12.592 1.00 0.00 H new ATOM 0 HD23 LEU C 43 12.063 -1.989 -12.866 1.00 0.00 H new ATOM 1403 N ASP C 44 11.829 -4.441 -8.361 1.00 0.00 N ATOM 1404 CA ASP C 44 12.290 -5.558 -7.545 1.00 0.00 C ATOM 1405 C ASP C 44 11.949 -6.882 -8.221 1.00 0.00 C ATOM 1406 O ASP C 44 12.805 -7.755 -8.360 1.00 0.00 O ATOM 1407 CB ASP C 44 11.629 -5.504 -6.167 1.00 0.00 C ATOM 1408 CG ASP C 44 12.292 -6.506 -5.230 1.00 0.00 C ATOM 1409 OD1 ASP C 44 13.509 -6.495 -5.146 1.00 0.00 O ATOM 1410 OD2 ASP C 44 11.573 -7.271 -4.607 1.00 0.00 O ATOM 0 H ASP C 44 11.231 -3.774 -7.874 1.00 0.00 H new ATOM 0 HA ASP C 44 13.372 -5.484 -7.432 1.00 0.00 H new ATOM 0 HB2 ASP C 44 11.712 -4.498 -5.754 1.00 0.00 H new ATOM 0 HB3 ASP C 44 10.566 -5.726 -6.256 1.00 0.00 H new ATOM 1628 N VAL D 27 -7.718 8.508 8.398 1.00 0.00 N ATOM 1629 CA VAL D 27 -6.874 8.932 7.285 1.00 0.00 C ATOM 1630 C VAL D 27 -5.414 9.021 7.729 1.00 0.00 C ATOM 1631 O VAL D 27 -4.498 8.672 6.978 1.00 0.00 O ATOM 1632 CB VAL D 27 -7.352 10.293 6.754 1.00 0.00 C ATOM 1633 CG1 VAL D 27 -8.879 10.287 6.652 1.00 0.00 C ATOM 1634 CG2 VAL D 27 -6.906 11.416 7.695 1.00 0.00 C ATOM 0 HA VAL D 27 -6.948 8.194 6.486 1.00 0.00 H new ATOM 0 HB VAL D 27 -6.916 10.465 5.770 1.00 0.00 H new ATOM 0 HG11 VAL D 27 -9.222 11.251 6.276 1.00 0.00 H new ATOM 0 HG12 VAL D 27 -9.195 9.498 5.970 1.00 0.00 H new ATOM 0 HG13 VAL D 27 -9.309 10.108 7.638 1.00 0.00 H new ATOM 0 HG21 VAL D 27 -7.251 12.374 7.307 1.00 0.00 H new ATOM 0 HG22 VAL D 27 -7.331 11.251 8.685 1.00 0.00 H new ATOM 0 HG23 VAL D 27 -5.818 11.423 7.763 1.00 0.00 H new ATOM 1644 N VAL D 28 -5.208 9.487 8.955 1.00 0.00 N ATOM 1645 CA VAL D 28 -3.864 9.619 9.497 1.00 0.00 C ATOM 1646 C VAL D 28 -3.182 8.257 9.549 1.00 0.00 C ATOM 1647 O VAL D 28 -2.016 8.121 9.179 1.00 0.00 O ATOM 1648 CB VAL D 28 -3.927 10.220 10.902 1.00 0.00 C ATOM 1649 CG1 VAL D 28 -2.516 10.318 11.482 1.00 0.00 C ATOM 1650 CG2 VAL D 28 -4.550 11.615 10.828 1.00 0.00 C ATOM 0 H VAL D 28 -5.952 9.778 9.589 1.00 0.00 H new ATOM 0 HA VAL D 28 -3.287 10.279 8.849 1.00 0.00 H new ATOM 0 HB VAL D 28 -4.535 9.583 11.544 1.00 0.00 H new ATOM 0 HG11 VAL D 28 -2.563 10.747 12.483 1.00 0.00 H new ATOM 0 HG12 VAL D 28 -2.074 9.323 11.534 1.00 0.00 H new ATOM 0 HG13 VAL D 28 -1.904 10.954 10.843 1.00 0.00 H new ATOM 0 HG21 VAL D 28 -4.596 12.046 11.828 1.00 0.00 H new ATOM 0 HG22 VAL D 28 -3.941 12.252 10.186 1.00 0.00 H new ATOM 0 HG23 VAL D 28 -5.557 11.542 10.417 1.00 0.00 H new ATOM 1660 N ALA D 29 -3.919 7.248 10.002 1.00 0.00 N ATOM 1661 CA ALA D 29 -3.372 5.898 10.090 1.00 0.00 C ATOM 1662 C ALA D 29 -2.942 5.416 8.711 1.00 0.00 C ATOM 1663 O ALA D 29 -1.931 4.730 8.571 1.00 0.00 O ATOM 1664 CB ALA D 29 -4.419 4.939 10.661 1.00 0.00 C ATOM 0 H ALA D 29 -4.887 7.337 10.311 1.00 0.00 H new ATOM 0 HA ALA D 29 -2.506 5.918 10.751 1.00 0.00 H new ATOM 0 HB1 ALA D 29 -3.998 3.935 10.721 1.00 0.00 H new ATOM 0 HB2 ALA D 29 -4.711 5.271 11.657 1.00 0.00 H new ATOM 0 HB3 ALA D 29 -5.294 4.927 10.011 1.00 0.00 H new ATOM 1670 N ALA D 30 -3.713 5.780 7.692 1.00 0.00 N ATOM 1671 CA ALA D 30 -3.394 5.372 6.331 1.00 0.00 C ATOM 1672 C ALA D 30 -1.988 5.822 5.951 1.00 0.00 C ATOM 1673 O ALA D 30 -1.190 5.036 5.442 1.00 0.00 O ATOM 1674 CB ALA D 30 -4.405 5.974 5.357 1.00 0.00 C ATOM 0 H ALA D 30 -4.554 6.350 7.781 1.00 0.00 H new ATOM 0 HA ALA D 30 -3.440 4.284 6.278 1.00 0.00 H new ATOM 0 HB1 ALA D 30 -4.160 5.665 4.341 1.00 0.00 H new ATOM 0 HB2 ALA D 30 -5.406 5.626 5.611 1.00 0.00 H new ATOM 0 HB3 ALA D 30 -4.371 7.061 5.423 1.00 0.00 H new ATOM 1680 N SER D 31 -1.689 7.090 6.207 1.00 0.00 N ATOM 1681 CA SER D 31 -0.371 7.633 5.892 1.00 0.00 C ATOM 1682 C SER D 31 0.716 6.900 6.676 1.00 0.00 C ATOM 1683 O SER D 31 1.793 6.622 6.153 1.00 0.00 O ATOM 1684 CB SER D 31 -0.328 9.123 6.221 1.00 0.00 C ATOM 1685 OG SER D 31 -1.368 9.785 5.517 1.00 0.00 O ATOM 0 H SER D 31 -2.335 7.758 6.628 1.00 0.00 H new ATOM 0 HA SER D 31 -0.187 7.493 4.827 1.00 0.00 H new ATOM 0 HB2 SER D 31 -0.445 9.275 7.294 1.00 0.00 H new ATOM 0 HB3 SER D 31 0.639 9.541 5.943 1.00 0.00 H new ATOM 0 HG SER D 31 -1.346 10.742 5.726 1.00 0.00 H new ATOM 1691 N ILE D 32 0.421 6.597 7.936 1.00 0.00 N ATOM 1692 CA ILE D 32 1.373 5.899 8.793 1.00 0.00 C ATOM 1693 C ILE D 32 1.675 4.507 8.243 1.00 0.00 C ATOM 1694 O ILE D 32 2.821 4.066 8.255 1.00 0.00 O ATOM 1695 CB ILE D 32 0.825 5.792 10.223 1.00 0.00 C ATOM 1696 CG1 ILE D 32 0.768 7.190 10.853 1.00 0.00 C ATOM 1697 CG2 ILE D 32 1.745 4.899 11.064 1.00 0.00 C ATOM 1698 CD1 ILE D 32 -0.015 7.146 12.173 1.00 0.00 C ATOM 0 H ILE D 32 -0.466 6.823 8.385 1.00 0.00 H new ATOM 0 HA ILE D 32 2.299 6.473 8.811 1.00 0.00 H new ATOM 0 HB ILE D 32 -0.175 5.359 10.193 1.00 0.00 H new ATOM 0 HG12 ILE D 32 1.778 7.557 11.033 1.00 0.00 H new ATOM 0 HG13 ILE D 32 0.294 7.888 10.164 1.00 0.00 H new ATOM 0 HG21 ILE D 32 1.353 4.825 12.078 1.00 0.00 H new ATOM 0 HG22 ILE D 32 1.792 3.905 10.620 1.00 0.00 H new ATOM 0 HG23 ILE D 32 2.745 5.331 11.092 1.00 0.00 H new ATOM 0 HD11 ILE D 32 -0.048 8.144 12.610 1.00 0.00 H new ATOM 0 HD12 ILE D 32 -1.031 6.800 11.982 1.00 0.00 H new ATOM 0 HD13 ILE D 32 0.477 6.463 12.865 1.00 0.00 H new ATOM 1710 N ILE D 33 0.641 3.815 7.773 1.00 0.00 N ATOM 1711 CA ILE D 33 0.820 2.468 7.236 1.00 0.00 C ATOM 1712 C ILE D 33 1.768 2.491 6.039 1.00 0.00 C ATOM 1713 O ILE D 33 2.638 1.629 5.917 1.00 0.00 O ATOM 1714 CB ILE D 33 -0.537 1.884 6.811 1.00 0.00 C ATOM 1715 CG1 ILE D 33 -1.383 1.609 8.058 1.00 0.00 C ATOM 1716 CG2 ILE D 33 -0.330 0.577 6.028 1.00 0.00 C ATOM 1717 CD1 ILE D 33 -2.826 1.317 7.640 1.00 0.00 C ATOM 0 H ILE D 33 -0.319 4.159 7.752 1.00 0.00 H new ATOM 0 HA ILE D 33 1.253 1.841 8.016 1.00 0.00 H new ATOM 0 HB ILE D 33 -1.050 2.601 6.170 1.00 0.00 H new ATOM 0 HG12 ILE D 33 -0.974 0.762 8.609 1.00 0.00 H new ATOM 0 HG13 ILE D 33 -1.354 2.469 8.728 1.00 0.00 H new ATOM 0 HG21 ILE D 33 -1.298 0.173 5.732 1.00 0.00 H new ATOM 0 HG22 ILE D 33 0.267 0.777 5.138 1.00 0.00 H new ATOM 0 HG23 ILE D 33 0.188 -0.146 6.658 1.00 0.00 H new ATOM 0 HD11 ILE D 33 -3.429 1.121 8.527 1.00 0.00 H new ATOM 0 HD12 ILE D 33 -3.232 2.177 7.108 1.00 0.00 H new ATOM 0 HD13 ILE D 33 -2.846 0.444 6.987 1.00 0.00 H new ATOM 1729 N GLY D 34 1.601 3.469 5.161 1.00 0.00 N ATOM 1730 CA GLY D 34 2.459 3.566 3.988 1.00 0.00 C ATOM 1731 C GLY D 34 3.921 3.725 4.394 1.00 0.00 C ATOM 1732 O GLY D 34 4.788 2.986 3.923 1.00 0.00 O ATOM 0 H GLY D 34 0.890 4.197 5.235 1.00 0.00 H new ATOM 0 HA2 GLY D 34 2.343 2.673 3.373 1.00 0.00 H new ATOM 0 HA3 GLY D 34 2.153 4.415 3.378 1.00 0.00 H new ATOM 1736 N ILE D 35 4.195 4.691 5.265 1.00 0.00 N ATOM 1737 CA ILE D 35 5.563 4.931 5.719 1.00 0.00 C ATOM 1738 C ILE D 35 6.067 3.776 6.586 1.00 0.00 C ATOM 1739 O ILE D 35 7.199 3.319 6.426 1.00 0.00 O ATOM 1740 CB ILE D 35 5.633 6.233 6.523 1.00 0.00 C ATOM 1741 CG1 ILE D 35 5.040 7.395 5.705 1.00 0.00 C ATOM 1742 CG2 ILE D 35 7.089 6.542 6.876 1.00 0.00 C ATOM 1743 CD1 ILE D 35 5.749 7.523 4.352 1.00 0.00 C ATOM 0 H ILE D 35 3.497 5.316 5.668 1.00 0.00 H new ATOM 0 HA ILE D 35 6.197 5.009 4.836 1.00 0.00 H new ATOM 0 HB ILE D 35 5.055 6.115 7.439 1.00 0.00 H new ATOM 0 HG12 ILE D 35 3.974 7.229 5.548 1.00 0.00 H new ATOM 0 HG13 ILE D 35 5.139 8.326 6.263 1.00 0.00 H new ATOM 0 HG21 ILE D 35 7.136 7.469 7.448 1.00 0.00 H new ATOM 0 HG22 ILE D 35 7.500 5.727 7.472 1.00 0.00 H new ATOM 0 HG23 ILE D 35 7.670 6.651 5.960 1.00 0.00 H new ATOM 0 HD11 ILE D 35 5.314 8.350 3.790 1.00 0.00 H new ATOM 0 HD12 ILE D 35 6.810 7.712 4.514 1.00 0.00 H new ATOM 0 HD13 ILE D 35 5.627 6.598 3.788 1.00 0.00 H new ATOM 1755 N LEU D 36 5.226 3.316 7.509 1.00 0.00 N ATOM 1756 CA LEU D 36 5.606 2.223 8.404 1.00 0.00 C ATOM 1757 C LEU D 36 5.888 0.955 7.610 1.00 0.00 C ATOM 1758 O LEU D 36 6.904 0.291 7.819 1.00 0.00 O ATOM 1759 CB LEU D 36 4.469 1.962 9.402 1.00 0.00 C ATOM 1760 CG LEU D 36 4.822 0.797 10.341 1.00 0.00 C ATOM 1761 CD1 LEU D 36 6.117 1.101 11.110 1.00 0.00 C ATOM 1762 CD2 LEU D 36 3.671 0.589 11.331 1.00 0.00 C ATOM 0 H LEU D 36 4.284 3.679 7.657 1.00 0.00 H new ATOM 0 HA LEU D 36 6.511 2.507 8.941 1.00 0.00 H new ATOM 0 HB2 LEU D 36 4.279 2.862 9.987 1.00 0.00 H new ATOM 0 HB3 LEU D 36 3.550 1.734 8.862 1.00 0.00 H new ATOM 0 HG LEU D 36 4.974 -0.107 9.751 1.00 0.00 H new ATOM 0 HD11 LEU D 36 6.353 0.266 11.770 1.00 0.00 H new ATOM 0 HD12 LEU D 36 6.934 1.247 10.403 1.00 0.00 H new ATOM 0 HD13 LEU D 36 5.984 2.006 11.703 1.00 0.00 H new ATOM 0 HD21 LEU D 36 3.912 -0.236 12.002 1.00 0.00 H new ATOM 0 HD22 LEU D 36 3.523 1.499 11.913 1.00 0.00 H new ATOM 0 HD23 LEU D 36 2.758 0.356 10.783 1.00 0.00 H new ATOM 1774 N HIS D 37 4.989 0.626 6.690 1.00 0.00 N ATOM 1775 CA HIS D 37 5.160 -0.563 5.871 1.00 0.00 C ATOM 1776 C HIS D 37 6.440 -0.461 5.055 1.00 0.00 C ATOM 1777 O HIS D 37 7.164 -1.444 4.893 1.00 0.00 O ATOM 1778 CB HIS D 37 3.970 -0.746 4.929 1.00 0.00 C ATOM 1779 CG HIS D 37 4.177 -2.004 4.131 1.00 0.00 C ATOM 1780 ND1 HIS D 37 3.348 -3.108 4.252 1.00 0.00 N ATOM 1781 CD2 HIS D 37 5.139 -2.357 3.223 1.00 0.00 C ATOM 1782 CE1 HIS D 37 3.831 -4.064 3.434 1.00 0.00 C ATOM 1783 NE2 HIS D 37 4.919 -3.656 2.784 1.00 0.00 N ATOM 0 H HIS D 37 4.143 1.161 6.495 1.00 0.00 H new ATOM 0 HA HIS D 37 5.222 -1.425 6.535 1.00 0.00 H new ATOM 0 HB2 HIS D 37 3.043 -0.808 5.499 1.00 0.00 H new ATOM 0 HB3 HIS D 37 3.879 0.113 4.264 1.00 0.00 H new ATOM 0 HD2 HIS D 37 5.948 -1.720 2.897 1.00 0.00 H new ATOM 0 HE1 HIS D 37 3.389 -5.043 3.320 1.00 0.00 H new ATOM 0 HE2 HIS D 37 5.472 -4.184 2.109 1.00 0.00 H new ATOM 1791 N LEU D 38 6.707 0.729 4.532 1.00 0.00 N ATOM 1792 CA LEU D 38 7.893 0.942 3.715 1.00 0.00 C ATOM 1793 C LEU D 38 9.169 0.668 4.507 1.00 0.00 C ATOM 1794 O LEU D 38 10.112 0.091 3.974 1.00 0.00 O ATOM 1795 CB LEU D 38 7.907 2.384 3.161 1.00 0.00 C ATOM 1796 CG LEU D 38 7.123 2.471 1.836 1.00 0.00 C ATOM 1797 CD1 LEU D 38 6.817 3.941 1.514 1.00 0.00 C ATOM 1798 CD2 LEU D 38 7.946 1.855 0.684 1.00 0.00 C ATOM 0 H LEU D 38 6.123 1.555 4.658 1.00 0.00 H new ATOM 0 HA LEU D 38 7.858 0.240 2.882 1.00 0.00 H new ATOM 0 HB2 LEU D 38 7.469 3.063 3.893 1.00 0.00 H new ATOM 0 HB3 LEU D 38 8.936 2.707 3.002 1.00 0.00 H new ATOM 0 HG LEU D 38 6.191 1.916 1.943 1.00 0.00 H new ATOM 0 HD11 LEU D 38 6.263 4.001 0.577 1.00 0.00 H new ATOM 0 HD12 LEU D 38 6.220 4.373 2.317 1.00 0.00 H new ATOM 0 HD13 LEU D 38 7.751 4.495 1.419 1.00 0.00 H new ATOM 0 HD21 LEU D 38 7.380 1.924 -0.245 1.00 0.00 H new ATOM 0 HD22 LEU D 38 8.885 2.398 0.577 1.00 0.00 H new ATOM 0 HD23 LEU D 38 8.155 0.808 0.905 1.00 0.00 H new ATOM 1810 N ILE D 39 9.213 1.081 5.764 1.00 0.00 N ATOM 1811 CA ILE D 39 10.410 0.851 6.561 1.00 0.00 C ATOM 1812 C ILE D 39 10.681 -0.648 6.693 1.00 0.00 C ATOM 1813 O ILE D 39 11.802 -1.102 6.462 1.00 0.00 O ATOM 1814 CB ILE D 39 10.242 1.476 7.951 1.00 0.00 C ATOM 1815 CG1 ILE D 39 10.169 2.999 7.815 1.00 0.00 C ATOM 1816 CG2 ILE D 39 11.439 1.105 8.829 1.00 0.00 C ATOM 1817 CD1 ILE D 39 9.691 3.611 9.134 1.00 0.00 C ATOM 0 H ILE D 39 8.455 1.565 6.246 1.00 0.00 H new ATOM 0 HA ILE D 39 11.258 1.317 6.060 1.00 0.00 H new ATOM 0 HB ILE D 39 9.326 1.102 8.408 1.00 0.00 H new ATOM 0 HG12 ILE D 39 11.149 3.398 7.552 1.00 0.00 H new ATOM 0 HG13 ILE D 39 9.487 3.270 7.009 1.00 0.00 H new ATOM 0 HG21 ILE D 39 11.318 1.550 9.817 1.00 0.00 H new ATOM 0 HG22 ILE D 39 11.498 0.021 8.924 1.00 0.00 H new ATOM 0 HG23 ILE D 39 12.355 1.479 8.372 1.00 0.00 H new ATOM 0 HD11 ILE D 39 9.640 4.695 9.035 1.00 0.00 H new ATOM 0 HD12 ILE D 39 8.703 3.222 9.378 1.00 0.00 H new ATOM 0 HD13 ILE D 39 10.390 3.352 9.930 1.00 0.00 H new ATOM 1829 N LEU D 40 9.655 -1.412 7.053 1.00 0.00 N ATOM 1830 CA LEU D 40 9.816 -2.858 7.196 1.00 0.00 C ATOM 1831 C LEU D 40 10.091 -3.524 5.841 1.00 0.00 C ATOM 1832 O LEU D 40 10.948 -4.399 5.737 1.00 0.00 O ATOM 1833 CB LEU D 40 8.556 -3.469 7.839 1.00 0.00 C ATOM 1834 CG LEU D 40 8.613 -3.317 9.367 1.00 0.00 C ATOM 1835 CD1 LEU D 40 8.621 -1.834 9.743 1.00 0.00 C ATOM 1836 CD2 LEU D 40 7.387 -3.988 9.990 1.00 0.00 C ATOM 0 H LEU D 40 8.717 -1.063 7.249 1.00 0.00 H new ATOM 0 HA LEU D 40 10.675 -3.040 7.842 1.00 0.00 H new ATOM 0 HB2 LEU D 40 7.665 -2.976 7.450 1.00 0.00 H new ATOM 0 HB3 LEU D 40 8.478 -4.523 7.574 1.00 0.00 H new ATOM 0 HG LEU D 40 9.522 -3.788 9.740 1.00 0.00 H new ATOM 0 HD11 LEU D 40 8.661 -1.734 10.828 1.00 0.00 H new ATOM 0 HD12 LEU D 40 9.493 -1.351 9.301 1.00 0.00 H new ATOM 0 HD13 LEU D 40 7.714 -1.359 9.368 1.00 0.00 H new ATOM 0 HD21 LEU D 40 7.425 -3.881 11.074 1.00 0.00 H new ATOM 0 HD22 LEU D 40 6.481 -3.515 9.611 1.00 0.00 H new ATOM 0 HD23 LEU D 40 7.380 -5.046 9.730 1.00 0.00 H new ATOM 1848 N TRP D 41 9.350 -3.115 4.811 1.00 0.00 N ATOM 1849 CA TRP D 41 9.517 -3.690 3.477 1.00 0.00 C ATOM 1850 C TRP D 41 10.869 -3.308 2.874 1.00 0.00 C ATOM 1851 O TRP D 41 11.505 -4.120 2.197 1.00 0.00 O ATOM 1852 CB TRP D 41 8.348 -3.268 2.577 1.00 0.00 C ATOM 1853 CG TRP D 41 8.594 -3.689 1.159 1.00 0.00 C ATOM 1854 CD1 TRP D 41 8.351 -4.925 0.653 1.00 0.00 C ATOM 1855 CD2 TRP D 41 9.047 -2.878 0.038 1.00 0.00 C ATOM 1856 NE1 TRP D 41 8.682 -4.931 -0.687 1.00 0.00 N ATOM 1857 CE2 TRP D 41 9.109 -3.692 -1.113 1.00 0.00 C ATOM 1858 CE3 TRP D 41 9.424 -1.533 -0.085 1.00 0.00 C ATOM 1859 CZ2 TRP D 41 9.528 -3.190 -2.339 1.00 0.00 C ATOM 1860 CZ3 TRP D 41 9.837 -1.021 -1.325 1.00 0.00 C ATOM 1861 CH2 TRP D 41 9.890 -1.850 -2.449 1.00 0.00 C ATOM 0 H TRP D 41 8.633 -2.392 4.874 1.00 0.00 H new ATOM 0 HA TRP D 41 9.507 -4.777 3.558 1.00 0.00 H new ATOM 0 HB2 TRP D 41 7.423 -3.716 2.940 1.00 0.00 H new ATOM 0 HB3 TRP D 41 8.218 -2.187 2.624 1.00 0.00 H new ATOM 0 HD1 TRP D 41 7.962 -5.766 1.208 1.00 0.00 H new ATOM 0 HE1 TRP D 41 8.618 -5.752 -1.288 1.00 0.00 H new ATOM 0 HE3 TRP D 41 9.396 -0.887 0.780 1.00 0.00 H new ATOM 0 HZ2 TRP D 41 9.573 -3.836 -3.203 1.00 0.00 H new ATOM 0 HZ3 TRP D 41 10.115 0.019 -1.411 1.00 0.00 H new ATOM 0 HH2 TRP D 41 10.211 -1.452 -3.400 1.00 0.00 H new ATOM 1872 N ILE D 42 11.314 -2.083 3.130 1.00 0.00 N ATOM 1873 CA ILE D 42 12.602 -1.630 2.610 1.00 0.00 C ATOM 1874 C ILE D 42 13.717 -2.499 3.192 1.00 0.00 C ATOM 1875 O ILE D 42 14.615 -2.939 2.475 1.00 0.00 O ATOM 1876 CB ILE D 42 12.828 -0.153 2.998 1.00 0.00 C ATOM 1877 CG1 ILE D 42 12.020 0.771 2.059 1.00 0.00 C ATOM 1878 CG2 ILE D 42 14.324 0.209 2.928 1.00 0.00 C ATOM 1879 CD1 ILE D 42 12.780 1.033 0.748 1.00 0.00 C ATOM 0 H ILE D 42 10.811 -1.392 3.687 1.00 0.00 H new ATOM 0 HA ILE D 42 12.608 -1.716 1.523 1.00 0.00 H new ATOM 0 HB ILE D 42 12.486 -0.012 4.023 1.00 0.00 H new ATOM 0 HG12 ILE D 42 11.055 0.315 1.838 1.00 0.00 H new ATOM 0 HG13 ILE D 42 11.818 1.717 2.561 1.00 0.00 H new ATOM 0 HG21 ILE D 42 14.459 1.254 3.205 1.00 0.00 H new ATOM 0 HG22 ILE D 42 14.884 -0.424 3.616 1.00 0.00 H new ATOM 0 HG23 ILE D 42 14.689 0.053 1.913 1.00 0.00 H new ATOM 0 HD11 ILE D 42 12.187 1.686 0.108 1.00 0.00 H new ATOM 0 HD12 ILE D 42 13.734 1.511 0.970 1.00 0.00 H new ATOM 0 HD13 ILE D 42 12.959 0.088 0.236 1.00 0.00 H new ATOM 1891 N LEU D 43 13.648 -2.734 4.496 1.00 0.00 N ATOM 1892 CA LEU D 43 14.648 -3.546 5.176 1.00 0.00 C ATOM 1893 C LEU D 43 14.624 -4.977 4.645 1.00 0.00 C ATOM 1894 O LEU D 43 15.670 -5.614 4.503 1.00 0.00 O ATOM 1895 CB LEU D 43 14.388 -3.543 6.687 1.00 0.00 C ATOM 1896 CG LEU D 43 14.645 -2.141 7.269 1.00 0.00 C ATOM 1897 CD1 LEU D 43 14.109 -2.083 8.703 1.00 0.00 C ATOM 1898 CD2 LEU D 43 16.153 -1.822 7.272 1.00 0.00 C ATOM 0 H LEU D 43 12.911 -2.374 5.103 1.00 0.00 H new ATOM 0 HA LEU D 43 15.632 -3.119 4.983 1.00 0.00 H new ATOM 0 HB2 LEU D 43 13.360 -3.845 6.887 1.00 0.00 H new ATOM 0 HB3 LEU D 43 15.035 -4.272 7.176 1.00 0.00 H new ATOM 0 HG LEU D 43 14.134 -1.404 6.649 1.00 0.00 H new ATOM 0 HD11 LEU D 43 14.289 -1.092 9.119 1.00 0.00 H new ATOM 0 HD12 LEU D 43 13.038 -2.286 8.700 1.00 0.00 H new ATOM 0 HD13 LEU D 43 14.618 -2.830 9.312 1.00 0.00 H new ATOM 0 HD21 LEU D 43 16.314 -0.827 7.687 1.00 0.00 H new ATOM 0 HD22 LEU D 43 16.679 -2.558 7.880 1.00 0.00 H new ATOM 0 HD23 LEU D 43 16.534 -1.855 6.251 1.00 0.00 H new ATOM 1910 N ASP D 44 13.428 -5.482 4.357 1.00 0.00 N ATOM 1911 CA ASP D 44 13.295 -6.842 3.848 1.00 0.00 C ATOM 1912 C ASP D 44 14.180 -7.038 2.624 1.00 0.00 C ATOM 1913 O ASP D 44 14.935 -8.006 2.542 1.00 0.00 O ATOM 1914 CB ASP D 44 11.838 -7.117 3.472 1.00 0.00 C ATOM 1915 CG ASP D 44 11.641 -8.603 3.190 1.00 0.00 C ATOM 1916 OD1 ASP D 44 12.054 -9.402 4.014 1.00 0.00 O ATOM 1917 OD2 ASP D 44 11.082 -8.918 2.153 1.00 0.00 O ATOM 0 H ASP D 44 12.548 -4.977 4.466 1.00 0.00 H new ATOM 0 HA ASP D 44 13.607 -7.537 4.628 1.00 0.00 H new ATOM 0 HB2 ASP D 44 11.180 -6.802 4.282 1.00 0.00 H new ATOM 0 HB3 ASP D 44 11.565 -6.533 2.593 1.00 0.00 H new