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= -9.24! C(o=-9.2!,f=-11!) USER MOD Single : B 31 SER OG : rot 180:sc= 0 USER MOD Single : B 37 HIS : no HD1:sc= -9.44! C(o=-9.4!,f=-11!) USER MOD Single : C 31 SER OG : rot 180:sc= 0 USER MOD Single : C 37 HIS : no HD1:sc= -9.03! C(o=-9!,f=-11!) USER MOD Single : D 31 SER OG : rot 180:sc= 0 USER MOD Single : D 37 HIS : no HD1:sc= -9.45! C(o=-9.4!,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 107 N VAL A 27 -12.903 4.954 1.577 1.00 0.00 N ATOM 108 CA VAL A 27 -12.137 5.308 2.768 1.00 0.00 C ATOM 109 C VAL A 27 -11.970 4.097 3.683 1.00 0.00 C ATOM 110 O VAL A 27 -10.863 3.791 4.134 1.00 0.00 O ATOM 111 CB VAL A 27 -12.852 6.429 3.527 1.00 0.00 C ATOM 112 CG1 VAL A 27 -12.112 6.721 4.836 1.00 0.00 C ATOM 113 CG2 VAL A 27 -12.878 7.692 2.664 1.00 0.00 C ATOM 0 HA VAL A 27 -11.149 5.648 2.456 1.00 0.00 H new ATOM 0 HB VAL A 27 -13.872 6.118 3.751 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -12.624 7.519 5.373 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -12.094 5.822 5.452 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -11.090 7.030 4.615 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -13.387 8.491 3.203 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -11.857 8.000 2.438 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -13.409 7.487 1.734 1.00 0.00 H new ATOM 123 N VAL A 28 -13.077 3.413 3.952 1.00 0.00 N ATOM 124 CA VAL A 28 -13.048 2.237 4.813 1.00 0.00 C ATOM 125 C VAL A 28 -12.236 1.124 4.163 1.00 0.00 C ATOM 126 O VAL A 28 -11.423 0.469 4.818 1.00 0.00 O ATOM 127 CB VAL A 28 -14.474 1.750 5.081 1.00 0.00 C ATOM 128 CG1 VAL A 28 -14.429 0.458 5.900 1.00 0.00 C ATOM 129 CG2 VAL A 28 -15.238 2.821 5.863 1.00 0.00 C ATOM 0 H VAL A 28 -14.000 3.651 3.589 1.00 0.00 H new ATOM 0 HA VAL A 28 -12.578 2.509 5.758 1.00 0.00 H new ATOM 0 HB VAL A 28 -14.977 1.561 4.133 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -15.445 0.112 6.090 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -13.884 -0.306 5.345 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -13.926 0.646 6.849 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -16.254 2.476 6.055 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -14.733 3.009 6.811 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -15.271 3.742 5.281 1.00 0.00 H new ATOM 139 N ALA A 29 -12.462 0.915 2.870 1.00 0.00 N ATOM 140 CA ALA A 29 -11.748 -0.120 2.138 1.00 0.00 C ATOM 141 C ALA A 29 -10.254 0.173 2.122 1.00 0.00 C ATOM 142 O ALA A 29 -9.437 -0.733 2.260 1.00 0.00 O ATOM 143 CB ALA A 29 -12.269 -0.196 0.700 1.00 0.00 C ATOM 0 H ALA A 29 -13.130 1.446 2.312 1.00 0.00 H new ATOM 0 HA ALA A 29 -11.916 -1.074 2.637 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -11.730 -0.973 0.158 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -13.333 -0.433 0.711 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -12.116 0.764 0.206 1.00 0.00 H new ATOM 149 N ALA A 30 -9.901 1.441 1.959 1.00 0.00 N ATOM 150 CA ALA A 30 -8.494 1.822 1.928 1.00 0.00 C ATOM 151 C ALA A 30 -7.783 1.322 3.181 1.00 0.00 C ATOM 152 O ALA A 30 -6.734 0.686 3.095 1.00 0.00 O ATOM 153 CB ALA A 30 -8.367 3.344 1.837 1.00 0.00 C ATOM 0 H ALA A 30 -10.558 2.213 1.848 1.00 0.00 H new ATOM 0 HA ALA A 30 -8.029 1.369 1.052 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -7.313 3.620 1.814 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -8.854 3.696 0.928 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.843 3.801 2.704 1.00 0.00 H new ATOM 159 N SER A 31 -8.367 1.602 4.341 1.00 0.00 N ATOM 160 CA SER A 31 -7.779 1.161 5.603 1.00 0.00 C ATOM 161 C SER A 31 -7.718 -0.364 5.669 1.00 0.00 C ATOM 162 O SER A 31 -6.719 -0.938 6.104 1.00 0.00 O ATOM 163 CB SER A 31 -8.597 1.694 6.779 1.00 0.00 C ATOM 164 OG SER A 31 -8.227 1.000 7.961 1.00 0.00 O ATOM 0 H SER A 31 -9.237 2.126 4.435 1.00 0.00 H new ATOM 0 HA SER A 31 -6.764 1.554 5.661 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.424 2.763 6.902 1.00 0.00 H new ATOM 0 HB3 SER A 31 -9.662 1.563 6.585 1.00 0.00 H new ATOM 0 HG SER A 31 -8.749 1.341 8.717 1.00 0.00 H new ATOM 170 N ILE A 32 -8.797 -1.015 5.241 1.00 0.00 N ATOM 171 CA ILE A 32 -8.866 -2.476 5.261 1.00 0.00 C ATOM 172 C ILE A 32 -7.805 -3.080 4.344 1.00 0.00 C ATOM 173 O ILE A 32 -7.158 -4.063 4.697 1.00 0.00 O ATOM 174 CB ILE A 32 -10.258 -2.948 4.828 1.00 0.00 C ATOM 175 CG1 ILE A 32 -11.283 -2.538 5.888 1.00 0.00 C ATOM 176 CG2 ILE A 32 -10.264 -4.474 4.683 1.00 0.00 C ATOM 177 CD1 ILE A 32 -12.697 -2.767 5.350 1.00 0.00 C ATOM 0 H ILE A 32 -9.633 -0.557 4.877 1.00 0.00 H new ATOM 0 HA ILE A 32 -8.677 -2.812 6.281 1.00 0.00 H new ATOM 0 HB ILE A 32 -10.513 -2.492 3.871 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -11.131 -3.118 6.799 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -11.149 -1.489 6.152 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -11.255 -4.806 4.375 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -9.532 -4.771 3.932 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -10.009 -4.931 5.639 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -13.426 -2.475 6.106 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -12.846 -2.168 4.452 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -12.828 -3.822 5.109 1.00 0.00 H new ATOM 189 N ILE A 33 -7.635 -2.493 3.165 1.00 0.00 N ATOM 190 CA ILE A 33 -6.651 -2.997 2.213 1.00 0.00 C ATOM 191 C ILE A 33 -5.243 -2.932 2.799 1.00 0.00 C ATOM 192 O ILE A 33 -4.468 -3.881 2.675 1.00 0.00 O ATOM 193 CB ILE A 33 -6.714 -2.167 0.920 1.00 0.00 C ATOM 194 CG1 ILE A 33 -8.018 -2.480 0.175 1.00 0.00 C ATOM 195 CG2 ILE A 33 -5.513 -2.487 0.017 1.00 0.00 C ATOM 196 CD1 ILE A 33 -8.246 -1.416 -0.901 1.00 0.00 C ATOM 0 H ILE A 33 -8.159 -1.677 2.847 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.883 -4.039 1.993 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.684 -1.109 1.179 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -7.964 -3.469 -0.280 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -8.855 -2.495 0.872 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -5.573 -1.891 -0.894 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.588 -2.252 0.544 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -5.524 -3.546 -0.241 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -9.171 -1.631 -1.435 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -8.317 -0.434 -0.433 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -7.412 -1.423 -1.603 1.00 0.00 H new ATOM 208 N GLY A 34 -4.913 -1.816 3.435 1.00 0.00 N ATOM 209 CA GLY A 34 -3.588 -1.663 4.026 1.00 0.00 C ATOM 210 C GLY A 34 -3.373 -2.648 5.173 1.00 0.00 C ATOM 211 O GLY A 34 -2.384 -3.379 5.197 1.00 0.00 O ATOM 0 H GLY A 34 -5.532 -1.014 3.555 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.827 -1.820 3.262 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.467 -0.644 4.392 1.00 0.00 H new ATOM 215 N ILE A 35 -4.302 -2.661 6.126 1.00 0.00 N ATOM 216 CA ILE A 35 -4.192 -3.558 7.274 1.00 0.00 C ATOM 217 C ILE A 35 -4.304 -5.024 6.847 1.00 0.00 C ATOM 218 O ILE A 35 -3.539 -5.872 7.305 1.00 0.00 O ATOM 219 CB ILE A 35 -5.291 -3.233 8.293 1.00 0.00 C ATOM 220 CG1 ILE A 35 -5.037 -1.845 8.889 1.00 0.00 C ATOM 221 CG2 ILE A 35 -5.274 -4.272 9.420 1.00 0.00 C ATOM 222 CD1 ILE A 35 -6.265 -1.398 9.684 1.00 0.00 C ATOM 0 H ILE A 35 -5.131 -2.067 6.127 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.212 -3.409 7.727 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.260 -3.251 7.794 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.161 -1.871 9.537 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.825 -1.130 8.094 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.056 -4.038 10.142 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.450 -5.264 9.003 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.304 -4.254 9.917 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.084 -0.410 10.108 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.131 -1.356 9.023 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -6.456 -2.109 10.488 1.00 0.00 H new ATOM 234 N LEU A 36 -5.267 -5.315 5.975 1.00 0.00 N ATOM 235 CA LEU A 36 -5.479 -6.683 5.506 1.00 0.00 C ATOM 236 C LEU A 36 -4.260 -7.185 4.740 1.00 0.00 C ATOM 237 O LEU A 36 -3.791 -8.303 4.960 1.00 0.00 O ATOM 238 CB LEU A 36 -6.714 -6.733 4.598 1.00 0.00 C ATOM 239 CG LEU A 36 -7.002 -8.177 4.159 1.00 0.00 C ATOM 240 CD1 LEU A 36 -7.343 -9.049 5.382 1.00 0.00 C ATOM 241 CD2 LEU A 36 -8.185 -8.170 3.184 1.00 0.00 C ATOM 0 H LEU A 36 -5.909 -4.627 5.581 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.635 -7.326 6.372 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.577 -6.328 5.126 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.554 -6.105 3.721 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.119 -8.592 3.673 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.545 -10.069 5.056 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.502 -9.049 6.075 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -8.224 -8.647 5.881 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -8.399 -9.190 2.865 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -9.062 -7.753 3.679 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.936 -7.562 2.314 1.00 0.00 H new ATOM 253 N HIS A 37 -3.747 -6.350 3.846 1.00 0.00 N ATOM 254 CA HIS A 37 -2.580 -6.722 3.061 1.00 0.00 C ATOM 255 C HIS A 37 -1.400 -7.007 3.976 1.00 0.00 C ATOM 256 O HIS A 37 -0.634 -7.942 3.743 1.00 0.00 O ATOM 257 CB HIS A 37 -2.213 -5.604 2.085 1.00 0.00 C ATOM 258 CG HIS A 37 -1.017 -6.033 1.279 1.00 0.00 C ATOM 259 ND1 HIS A 37 -1.068 -6.207 -0.095 1.00 0.00 N ATOM 260 CD2 HIS A 37 0.266 -6.347 1.643 1.00 0.00 C ATOM 261 CE1 HIS A 37 0.153 -6.611 -0.497 1.00 0.00 C ATOM 262 NE2 HIS A 37 1.001 -6.710 0.524 1.00 0.00 N ATOM 0 H HIS A 37 -4.117 -5.420 3.648 1.00 0.00 H new ATOM 0 HA HIS A 37 -2.821 -7.622 2.495 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -3.054 -5.388 1.426 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -1.991 -4.686 2.630 1.00 0.00 H new ATOM 0 HD2 HIS A 37 0.649 -6.316 2.652 1.00 0.00 H new ATOM 0 HE1 HIS A 37 0.412 -6.828 -1.523 1.00 0.00 H new ATOM 0 HE2 HIS A 37 1.981 -6.992 0.491 1.00 0.00 H new ATOM 270 N LEU A 38 -1.251 -6.189 5.011 1.00 0.00 N ATOM 271 CA LEU A 38 -0.142 -6.353 5.946 1.00 0.00 C ATOM 272 C LEU A 38 -0.192 -7.715 6.625 1.00 0.00 C ATOM 273 O LEU A 38 0.845 -8.334 6.830 1.00 0.00 O ATOM 274 CB LEU A 38 -0.174 -5.240 7.014 1.00 0.00 C ATOM 275 CG LEU A 38 0.607 -4.001 6.536 1.00 0.00 C ATOM 276 CD1 LEU A 38 0.201 -2.783 7.378 1.00 0.00 C ATOM 277 CD2 LEU A 38 2.123 -4.238 6.688 1.00 0.00 C ATOM 0 H LEU A 38 -1.877 -5.412 5.224 1.00 0.00 H new ATOM 0 HA LEU A 38 0.786 -6.284 5.378 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.207 -4.964 7.228 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.256 -5.610 7.945 1.00 0.00 H new ATOM 0 HG LEU A 38 0.375 -3.821 5.486 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.754 -1.906 7.040 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.868 -2.603 7.266 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.429 -2.973 8.427 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.665 -3.356 6.347 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.359 -4.427 7.735 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.418 -5.099 6.089 1.00 0.00 H new ATOM 289 N ILE A 39 -1.380 -8.170 6.988 1.00 0.00 N ATOM 290 CA ILE A 39 -1.500 -9.456 7.660 1.00 0.00 C ATOM 291 C ILE A 39 -1.008 -10.573 6.742 1.00 0.00 C ATOM 292 O ILE A 39 -0.267 -11.458 7.166 1.00 0.00 O ATOM 293 CB ILE A 39 -2.960 -9.699 8.040 1.00 0.00 C ATOM 294 CG1 ILE A 39 -3.383 -8.666 9.088 1.00 0.00 C ATOM 295 CG2 ILE A 39 -3.105 -11.102 8.636 1.00 0.00 C ATOM 296 CD1 ILE A 39 -4.903 -8.699 9.260 1.00 0.00 C ATOM 0 H ILE A 39 -2.261 -7.680 6.833 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.889 -9.448 8.563 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.588 -9.610 7.154 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.895 -8.878 10.039 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.064 -7.670 8.781 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.146 -11.276 8.907 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.793 -11.844 7.901 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -2.479 -11.186 9.525 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.201 -7.963 10.007 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.382 -8.466 8.309 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.211 -9.692 9.587 1.00 0.00 H new ATOM 308 N LEU A 40 -1.420 -10.525 5.478 1.00 0.00 N ATOM 309 CA LEU A 40 -0.997 -11.539 4.515 1.00 0.00 C ATOM 310 C LEU A 40 0.487 -11.389 4.170 1.00 0.00 C ATOM 311 O LEU A 40 1.214 -12.379 4.084 1.00 0.00 O ATOM 312 CB LEU A 40 -1.852 -11.432 3.240 1.00 0.00 C ATOM 313 CG LEU A 40 -3.184 -12.185 3.430 1.00 0.00 C ATOM 314 CD1 LEU A 40 -2.943 -13.714 3.489 1.00 0.00 C ATOM 315 CD2 LEU A 40 -3.858 -11.716 4.731 1.00 0.00 C ATOM 0 H LEU A 40 -2.037 -9.806 5.100 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.139 -12.522 4.965 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.047 -10.384 3.011 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.308 -11.848 2.392 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.833 -11.969 2.581 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.895 -14.227 3.623 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.480 -14.045 2.560 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.284 -13.946 4.326 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.800 -12.248 4.865 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.201 -11.922 5.576 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.052 -10.645 4.675 1.00 0.00 H new ATOM 327 N TRP A 41 0.926 -10.151 3.955 1.00 0.00 N ATOM 328 CA TRP A 41 2.320 -9.892 3.600 1.00 0.00 C ATOM 329 C TRP A 41 3.263 -10.170 4.772 1.00 0.00 C ATOM 330 O TRP A 41 4.294 -10.825 4.605 1.00 0.00 O ATOM 331 CB TRP A 41 2.469 -8.444 3.111 1.00 0.00 C ATOM 332 CG TRP A 41 3.915 -8.097 2.941 1.00 0.00 C ATOM 333 CD1 TRP A 41 4.663 -8.377 1.849 1.00 0.00 C ATOM 334 CD2 TRP A 41 4.781 -7.358 3.848 1.00 0.00 C ATOM 335 NE1 TRP A 41 5.945 -7.898 2.051 1.00 0.00 N ATOM 336 CE2 TRP A 41 6.061 -7.254 3.264 1.00 0.00 C ATOM 337 CE3 TRP A 41 4.583 -6.781 5.115 1.00 0.00 C ATOM 338 CZ2 TRP A 41 7.104 -6.602 3.910 1.00 0.00 C ATOM 339 CZ3 TRP A 41 5.634 -6.115 5.763 1.00 0.00 C ATOM 340 CH2 TRP A 41 6.892 -6.028 5.162 1.00 0.00 C ATOM 0 H TRP A 41 0.342 -9.317 4.020 1.00 0.00 H new ATOM 0 HA TRP A 41 2.600 -10.572 2.796 1.00 0.00 H new ATOM 0 HB2 TRP A 41 1.944 -8.317 2.164 1.00 0.00 H new ATOM 0 HB3 TRP A 41 2.006 -7.763 3.825 1.00 0.00 H new ATOM 0 HD1 TRP A 41 4.316 -8.890 0.964 1.00 0.00 H new ATOM 0 HE1 TRP A 41 6.710 -8.008 1.385 1.00 0.00 H new ATOM 0 HE3 TRP A 41 3.617 -6.851 5.592 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 8.076 -6.540 3.443 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 5.470 -5.667 6.732 1.00 0.00 H new ATOM 0 HH2 TRP A 41 7.699 -5.517 5.667 1.00 0.00 H new ATOM 351 N ILE A 42 2.912 -9.671 5.949 1.00 0.00 N ATOM 352 CA ILE A 42 3.750 -9.876 7.126 1.00 0.00 C ATOM 353 C ILE A 42 3.795 -11.361 7.490 1.00 0.00 C ATOM 354 O ILE A 42 4.848 -11.891 7.845 1.00 0.00 O ATOM 355 CB ILE A 42 3.209 -9.054 8.310 1.00 0.00 C ATOM 356 CG1 ILE A 42 4.289 -8.926 9.389 1.00 0.00 C ATOM 357 CG2 ILE A 42 1.973 -9.737 8.919 1.00 0.00 C ATOM 358 CD1 ILE A 42 3.810 -7.951 10.468 1.00 0.00 C ATOM 0 H ILE A 42 2.065 -9.128 6.116 1.00 0.00 H new ATOM 0 HA ILE A 42 4.762 -9.541 6.900 1.00 0.00 H new ATOM 0 HB ILE A 42 2.930 -8.066 7.944 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.497 -9.901 9.830 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.220 -8.570 8.948 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.604 -9.143 9.755 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.194 -9.822 8.161 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.244 -10.732 9.273 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.575 -7.856 11.238 1.00 0.00 H new ATOM 0 HD12 ILE A 42 3.624 -6.975 10.020 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.890 -8.327 10.915 1.00 0.00 H new ATOM 370 N LEU A 43 2.646 -12.025 7.392 1.00 0.00 N ATOM 371 CA LEU A 43 2.564 -13.444 7.709 1.00 0.00 C ATOM 372 C LEU A 43 3.439 -14.254 6.762 1.00 0.00 C ATOM 373 O LEU A 43 4.111 -15.200 7.176 1.00 0.00 O ATOM 374 CB LEU A 43 1.107 -13.920 7.607 1.00 0.00 C ATOM 375 CG LEU A 43 1.014 -15.433 7.871 1.00 0.00 C ATOM 376 CD1 LEU A 43 1.621 -15.773 9.241 1.00 0.00 C ATOM 377 CD2 LEU A 43 -0.459 -15.851 7.846 1.00 0.00 C ATOM 0 H LEU A 43 1.765 -11.604 7.097 1.00 0.00 H new ATOM 0 HA LEU A 43 2.921 -13.593 8.728 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.491 -13.381 8.327 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.713 -13.693 6.617 1.00 0.00 H new ATOM 0 HG LEU A 43 1.569 -15.969 7.100 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.548 -16.847 9.415 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.669 -15.472 9.260 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.077 -15.242 10.022 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.536 -16.922 8.032 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.004 -15.308 8.618 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.886 -15.621 6.870 1.00 0.00 H new ATOM 389 N ASP A 44 3.423 -13.883 5.486 1.00 0.00 N ATOM 390 CA ASP A 44 4.216 -14.590 4.489 1.00 0.00 C ATOM 391 C ASP A 44 5.685 -14.599 4.888 1.00 0.00 C ATOM 392 O ASP A 44 6.349 -15.634 4.823 1.00 0.00 O ATOM 393 CB ASP A 44 4.065 -13.918 3.124 1.00 0.00 C ATOM 394 CG ASP A 44 4.801 -14.730 2.065 1.00 0.00 C ATOM 395 OD1 ASP A 44 5.487 -15.667 2.436 1.00 0.00 O ATOM 396 OD2 ASP A 44 4.670 -14.401 0.897 1.00 0.00 O ATOM 0 H ASP A 44 2.875 -13.104 5.121 1.00 0.00 H new ATOM 0 HA ASP A 44 3.856 -15.617 4.429 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.010 -13.835 2.864 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.464 -12.905 3.161 1.00 0.00 H new ATOM 630 N VAL B 28 -9.722 8.151 -6.082 1.00 0.00 N ATOM 631 CA VAL B 28 -10.048 7.002 -6.918 1.00 0.00 C ATOM 632 C VAL B 28 -8.792 6.199 -7.229 1.00 0.00 C ATOM 633 O VAL B 28 -8.794 4.970 -7.162 1.00 0.00 O ATOM 634 CB VAL B 28 -10.701 7.470 -8.220 1.00 0.00 C ATOM 635 CG1 VAL B 28 -10.945 6.266 -9.133 1.00 0.00 C ATOM 636 CG2 VAL B 28 -12.035 8.147 -7.905 1.00 0.00 C ATOM 0 HA VAL B 28 -10.747 6.365 -6.376 1.00 0.00 H new ATOM 0 HB VAL B 28 -10.041 8.178 -8.722 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -11.410 6.601 -10.060 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -9.995 5.782 -9.358 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -11.604 5.557 -8.632 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -12.501 8.481 -8.832 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -12.693 7.438 -7.403 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -11.863 9.005 -7.256 1.00 0.00 H new ATOM 646 N ALA B 29 -7.719 6.905 -7.569 1.00 0.00 N ATOM 647 CA ALA B 29 -6.458 6.254 -7.892 1.00 0.00 C ATOM 648 C ALA B 29 -5.927 5.496 -6.681 1.00 0.00 C ATOM 649 O ALA B 29 -5.405 4.392 -6.812 1.00 0.00 O ATOM 650 CB ALA B 29 -5.429 7.296 -8.333 1.00 0.00 C ATOM 0 H ALA B 29 -7.698 7.923 -7.627 1.00 0.00 H new ATOM 0 HA ALA B 29 -6.631 5.549 -8.705 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -4.489 6.800 -8.573 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -5.797 7.821 -9.214 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -5.267 8.011 -7.527 1.00 0.00 H new ATOM 656 N ALA B 30 -6.066 6.090 -5.501 1.00 0.00 N ATOM 657 CA ALA B 30 -5.590 5.447 -4.284 1.00 0.00 C ATOM 658 C ALA B 30 -6.191 4.052 -4.152 1.00 0.00 C ATOM 659 O ALA B 30 -5.474 3.076 -3.933 1.00 0.00 O ATOM 660 CB ALA B 30 -5.969 6.290 -3.065 1.00 0.00 C ATOM 0 H ALA B 30 -6.498 7.003 -5.362 1.00 0.00 H new ATOM 0 HA ALA B 30 -4.505 5.360 -4.338 1.00 0.00 H new ATOM 0 HB1 ALA B 30 -5.609 5.802 -2.159 1.00 0.00 H new ATOM 0 HB2 ALA B 30 -5.515 7.277 -3.150 1.00 0.00 H new ATOM 0 HB3 ALA B 30 -7.053 6.392 -3.016 1.00 0.00 H new ATOM 666 N SER B 31 -7.509 3.963 -4.298 1.00 0.00 N ATOM 667 CA SER B 31 -8.189 2.674 -4.202 1.00 0.00 C ATOM 668 C SER B 31 -7.711 1.725 -5.301 1.00 0.00 C ATOM 669 O SER B 31 -7.476 0.542 -5.055 1.00 0.00 O ATOM 670 CB SER B 31 -9.702 2.870 -4.314 1.00 0.00 C ATOM 671 OG SER B 31 -10.320 1.613 -4.554 1.00 0.00 O ATOM 0 H SER B 31 -8.122 4.757 -4.481 1.00 0.00 H new ATOM 0 HA SER B 31 -7.951 2.234 -3.234 1.00 0.00 H new ATOM 0 HB2 SER B 31 -10.092 3.311 -3.397 1.00 0.00 H new ATOM 0 HB3 SER B 31 -9.932 3.562 -5.124 1.00 0.00 H new ATOM 0 HG SER B 31 -11.290 1.734 -4.625 1.00 0.00 H new ATOM 677 N ILE B 32 -7.575 2.253 -6.516 1.00 0.00 N ATOM 678 CA ILE B 32 -7.133 1.448 -7.653 1.00 0.00 C ATOM 679 C ILE B 32 -5.715 0.924 -7.426 1.00 0.00 C ATOM 680 O ILE B 32 -5.421 -0.230 -7.723 1.00 0.00 O ATOM 681 CB ILE B 32 -7.182 2.276 -8.941 1.00 0.00 C ATOM 682 CG1 ILE B 32 -8.642 2.588 -9.285 1.00 0.00 C ATOM 683 CG2 ILE B 32 -6.552 1.481 -10.091 1.00 0.00 C ATOM 684 CD1 ILE B 32 -8.691 3.623 -10.410 1.00 0.00 C ATOM 0 H ILE B 32 -7.764 3.231 -6.738 1.00 0.00 H new ATOM 0 HA ILE B 32 -7.807 0.597 -7.750 1.00 0.00 H new ATOM 0 HB ILE B 32 -6.629 3.204 -8.796 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -9.157 1.678 -9.591 1.00 0.00 H new ATOM 0 HG13 ILE B 32 -9.161 2.967 -8.405 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -6.589 2.073 -11.005 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -5.514 1.251 -9.849 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -7.105 0.553 -10.237 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -9.730 3.845 -10.655 1.00 0.00 H new ATOM 0 HD12 ILE B 32 -8.191 4.536 -10.086 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -8.187 3.226 -11.291 1.00 0.00 H new ATOM 696 N ILE B 33 -4.843 1.778 -6.908 1.00 0.00 N ATOM 697 CA ILE B 33 -3.463 1.379 -6.659 1.00 0.00 C ATOM 698 C ILE B 33 -3.403 0.225 -5.660 1.00 0.00 C ATOM 699 O ILE B 33 -2.662 -0.738 -5.860 1.00 0.00 O ATOM 700 CB ILE B 33 -2.669 2.576 -6.115 1.00 0.00 C ATOM 701 CG1 ILE B 33 -2.468 3.609 -7.230 1.00 0.00 C ATOM 702 CG2 ILE B 33 -1.301 2.116 -5.583 1.00 0.00 C ATOM 703 CD1 ILE B 33 -2.005 4.929 -6.613 1.00 0.00 C ATOM 0 H ILE B 33 -5.062 2.741 -6.654 1.00 0.00 H new ATOM 0 HA ILE B 33 -3.025 1.045 -7.599 1.00 0.00 H new ATOM 0 HB ILE B 33 -3.230 3.027 -5.296 1.00 0.00 H new ATOM 0 HG12 ILE B 33 -1.729 3.250 -7.947 1.00 0.00 H new ATOM 0 HG13 ILE B 33 -3.399 3.756 -7.778 1.00 0.00 H new ATOM 0 HG21 ILE B 33 -0.751 2.976 -5.201 1.00 0.00 H new ATOM 0 HG22 ILE B 33 -1.447 1.393 -4.780 1.00 0.00 H new ATOM 0 HG23 ILE B 33 -0.734 1.652 -6.390 1.00 0.00 H new ATOM 0 HD11 ILE B 33 -1.860 5.668 -7.401 1.00 0.00 H new ATOM 0 HD12 ILE B 33 -2.760 5.288 -5.913 1.00 0.00 H new ATOM 0 HD13 ILE B 33 -1.065 4.773 -6.084 1.00 0.00 H new ATOM 715 N GLY B 34 -4.178 0.321 -4.588 1.00 0.00 N ATOM 716 CA GLY B 34 -4.182 -0.729 -3.579 1.00 0.00 C ATOM 717 C GLY B 34 -4.739 -2.036 -4.141 1.00 0.00 C ATOM 718 O GLY B 34 -4.107 -3.086 -4.028 1.00 0.00 O ATOM 0 H GLY B 34 -4.804 1.103 -4.396 1.00 0.00 H new ATOM 0 HA2 GLY B 34 -3.167 -0.890 -3.215 1.00 0.00 H new ATOM 0 HA3 GLY B 34 -4.781 -0.413 -2.725 1.00 0.00 H new ATOM 722 N ILE B 35 -5.924 -1.967 -4.739 1.00 0.00 N ATOM 723 CA ILE B 35 -6.555 -3.159 -5.305 1.00 0.00 C ATOM 724 C ILE B 35 -5.747 -3.704 -6.487 1.00 0.00 C ATOM 725 O ILE B 35 -5.538 -4.912 -6.601 1.00 0.00 O ATOM 726 CB ILE B 35 -7.978 -2.825 -5.762 1.00 0.00 C ATOM 727 CG1 ILE B 35 -8.843 -2.502 -4.539 1.00 0.00 C ATOM 728 CG2 ILE B 35 -8.580 -4.029 -6.498 1.00 0.00 C ATOM 729 CD1 ILE B 35 -10.172 -1.900 -4.997 1.00 0.00 C ATOM 0 H ILE B 35 -6.464 -1.108 -4.845 1.00 0.00 H new ATOM 0 HA ILE B 35 -6.589 -3.926 -4.531 1.00 0.00 H new ATOM 0 HB ILE B 35 -7.948 -1.965 -6.431 1.00 0.00 H new ATOM 0 HG12 ILE B 35 -9.023 -3.407 -3.959 1.00 0.00 H new ATOM 0 HG13 ILE B 35 -8.321 -1.803 -3.886 1.00 0.00 H new ATOM 0 HG21 ILE B 35 -9.593 -3.788 -6.822 1.00 0.00 H new ATOM 0 HG22 ILE B 35 -7.968 -4.267 -7.368 1.00 0.00 H new ATOM 0 HG23 ILE B 35 -8.608 -4.888 -5.828 1.00 0.00 H new ATOM 0 HD11 ILE B 35 -10.787 -1.671 -4.127 1.00 0.00 H new ATOM 0 HD12 ILE B 35 -9.983 -0.985 -5.559 1.00 0.00 H new ATOM 0 HD13 ILE B 35 -10.695 -2.614 -5.633 1.00 0.00 H new ATOM 741 N LEU B 36 -5.310 -2.808 -7.368 1.00 0.00 N ATOM 742 CA LEU B 36 -4.541 -3.213 -8.545 1.00 0.00 C ATOM 743 C LEU B 36 -3.223 -3.858 -8.132 1.00 0.00 C ATOM 744 O LEU B 36 -2.845 -4.909 -8.650 1.00 0.00 O ATOM 745 CB LEU B 36 -4.263 -1.988 -9.425 1.00 0.00 C ATOM 746 CG LEU B 36 -3.527 -2.404 -10.710 1.00 0.00 C ATOM 747 CD1 LEU B 36 -4.415 -3.338 -11.555 1.00 0.00 C ATOM 748 CD2 LEU B 36 -3.189 -1.145 -11.515 1.00 0.00 C ATOM 0 H LEU B 36 -5.473 -1.804 -7.292 1.00 0.00 H new ATOM 0 HA LEU B 36 -5.123 -3.943 -9.107 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -5.201 -1.495 -9.680 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -3.663 -1.265 -8.873 1.00 0.00 H new ATOM 0 HG LEU B 36 -2.613 -2.937 -10.449 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -3.882 -3.625 -12.462 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -4.656 -4.231 -10.978 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -5.336 -2.820 -11.824 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -2.667 -1.427 -12.429 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -4.109 -0.619 -11.770 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -2.551 -0.492 -10.919 1.00 0.00 H new ATOM 760 N HIS B 37 -2.532 -3.226 -7.193 1.00 0.00 N ATOM 761 CA HIS B 37 -1.262 -3.754 -6.718 1.00 0.00 C ATOM 762 C HIS B 37 -1.458 -5.139 -6.119 1.00 0.00 C ATOM 763 O HIS B 37 -0.634 -6.032 -6.316 1.00 0.00 O ATOM 764 CB HIS B 37 -0.655 -2.825 -5.666 1.00 0.00 C ATOM 765 CG HIS B 37 0.664 -3.391 -5.215 1.00 0.00 C ATOM 766 ND1 HIS B 37 1.864 -2.732 -5.416 1.00 0.00 N ATOM 767 CD2 HIS B 37 0.986 -4.566 -4.589 1.00 0.00 C ATOM 768 CE1 HIS B 37 2.842 -3.513 -4.918 1.00 0.00 C ATOM 769 NE2 HIS B 37 2.359 -4.641 -4.402 1.00 0.00 N ATOM 0 H HIS B 37 -2.826 -2.356 -6.749 1.00 0.00 H new ATOM 0 HA HIS B 37 -0.582 -3.822 -7.567 1.00 0.00 H new ATOM 0 HB2 HIS B 37 -0.514 -1.827 -6.081 1.00 0.00 H new ATOM 0 HB3 HIS B 37 -1.331 -2.724 -4.817 1.00 0.00 H new ATOM 0 HD2 HIS B 37 0.277 -5.322 -4.286 1.00 0.00 H new ATOM 0 HE1 HIS B 37 3.891 -3.255 -4.935 1.00 0.00 H new ATOM 0 HE2 HIS B 37 2.885 -5.397 -3.964 1.00 0.00 H new ATOM 777 N LEU B 38 -2.548 -5.309 -5.380 1.00 0.00 N ATOM 778 CA LEU B 38 -2.828 -6.589 -4.740 1.00 0.00 C ATOM 779 C LEU B 38 -2.970 -7.700 -5.772 1.00 0.00 C ATOM 780 O LEU B 38 -2.510 -8.811 -5.541 1.00 0.00 O ATOM 781 CB LEU B 38 -4.119 -6.493 -3.896 1.00 0.00 C ATOM 782 CG LEU B 38 -3.801 -6.020 -2.465 1.00 0.00 C ATOM 783 CD1 LEU B 38 -5.088 -5.516 -1.791 1.00 0.00 C ATOM 784 CD2 LEU B 38 -3.218 -7.184 -1.637 1.00 0.00 C ATOM 0 H LEU B 38 -3.246 -4.585 -5.210 1.00 0.00 H new ATOM 0 HA LEU B 38 -1.987 -6.829 -4.089 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -4.816 -5.800 -4.367 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -4.610 -7.465 -3.862 1.00 0.00 H new ATOM 0 HG LEU B 38 -3.070 -5.213 -2.516 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -4.862 -5.182 -0.779 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -5.498 -4.685 -2.365 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -5.818 -6.324 -1.751 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -2.997 -6.837 -0.627 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -3.943 -7.997 -1.591 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -2.301 -7.541 -2.107 1.00 0.00 H new ATOM 796 N ILE B 39 -3.616 -7.410 -6.891 1.00 0.00 N ATOM 797 CA ILE B 39 -3.803 -8.428 -7.915 1.00 0.00 C ATOM 798 C ILE B 39 -2.448 -8.890 -8.450 1.00 0.00 C ATOM 799 O ILE B 39 -2.207 -10.086 -8.609 1.00 0.00 O ATOM 800 CB ILE B 39 -4.645 -7.858 -9.054 1.00 0.00 C ATOM 801 CG1 ILE B 39 -6.052 -7.554 -8.532 1.00 0.00 C ATOM 802 CG2 ILE B 39 -4.741 -8.887 -10.183 1.00 0.00 C ATOM 803 CD1 ILE B 39 -6.815 -6.716 -9.560 1.00 0.00 C ATOM 0 H ILE B 39 -4.013 -6.497 -7.112 1.00 0.00 H new ATOM 0 HA ILE B 39 -4.318 -9.284 -7.479 1.00 0.00 H new ATOM 0 HB ILE B 39 -4.182 -6.946 -9.430 1.00 0.00 H new ATOM 0 HG12 ILE B 39 -6.587 -8.484 -8.338 1.00 0.00 H new ATOM 0 HG13 ILE B 39 -5.991 -7.018 -7.585 1.00 0.00 H new ATOM 0 HG21 ILE B 39 -5.342 -8.480 -10.996 1.00 0.00 H new ATOM 0 HG22 ILE B 39 -3.741 -9.118 -10.551 1.00 0.00 H new ATOM 0 HG23 ILE B 39 -5.208 -9.797 -9.807 1.00 0.00 H new ATOM 0 HD11 ILE B 39 -7.816 -6.502 -9.184 1.00 0.00 H new ATOM 0 HD12 ILE B 39 -6.284 -5.780 -9.732 1.00 0.00 H new ATOM 0 HD13 ILE B 39 -6.889 -7.268 -10.497 1.00 0.00 H new ATOM 815 N LEU B 40 -1.562 -7.938 -8.722 1.00 0.00 N ATOM 816 CA LEU B 40 -0.233 -8.273 -9.226 1.00 0.00 C ATOM 817 C LEU B 40 0.623 -8.931 -8.139 1.00 0.00 C ATOM 818 O LEU B 40 1.322 -9.910 -8.398 1.00 0.00 O ATOM 819 CB LEU B 40 0.460 -7.003 -9.750 1.00 0.00 C ATOM 820 CG LEU B 40 0.003 -6.704 -11.192 1.00 0.00 C ATOM 821 CD1 LEU B 40 0.564 -7.762 -12.171 1.00 0.00 C ATOM 822 CD2 LEU B 40 -1.535 -6.704 -11.252 1.00 0.00 C ATOM 0 H LEU B 40 -1.735 -6.940 -8.604 1.00 0.00 H new ATOM 0 HA LEU B 40 -0.346 -8.987 -10.042 1.00 0.00 H new ATOM 0 HB2 LEU B 40 0.224 -6.158 -9.103 1.00 0.00 H new ATOM 0 HB3 LEU B 40 1.542 -7.133 -9.723 1.00 0.00 H new ATOM 0 HG LEU B 40 0.382 -5.725 -11.486 1.00 0.00 H new ATOM 0 HD11 LEU B 40 0.231 -7.534 -13.183 1.00 0.00 H new ATOM 0 HD12 LEU B 40 1.653 -7.749 -12.136 1.00 0.00 H new ATOM 0 HD13 LEU B 40 0.204 -8.750 -11.884 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -1.859 -6.493 -12.271 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -1.911 -7.680 -10.947 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -1.925 -5.939 -10.581 1.00 0.00 H new ATOM 834 N TRP B 41 0.576 -8.379 -6.928 1.00 0.00 N ATOM 835 CA TRP B 41 1.364 -8.914 -5.817 1.00 0.00 C ATOM 836 C TRP B 41 0.850 -10.284 -5.369 1.00 0.00 C ATOM 837 O TRP B 41 1.634 -11.216 -5.182 1.00 0.00 O ATOM 838 CB TRP B 41 1.352 -7.918 -4.648 1.00 0.00 C ATOM 839 CG TRP B 41 1.974 -8.533 -3.432 1.00 0.00 C ATOM 840 CD1 TRP B 41 3.301 -8.582 -3.174 1.00 0.00 C ATOM 841 CD2 TRP B 41 1.313 -9.129 -2.281 1.00 0.00 C ATOM 842 NE1 TRP B 41 3.496 -9.216 -1.960 1.00 0.00 N ATOM 843 CE2 TRP B 41 2.300 -9.562 -1.369 1.00 0.00 C ATOM 844 CE3 TRP B 41 -0.036 -9.348 -1.950 1.00 0.00 C ATOM 845 CZ2 TRP B 41 1.962 -10.185 -0.174 1.00 0.00 C ATOM 846 CZ3 TRP B 41 -0.376 -9.968 -0.737 1.00 0.00 C ATOM 847 CH2 TRP B 41 0.621 -10.386 0.146 1.00 0.00 C ATOM 0 H TRP B 41 0.005 -7.567 -6.691 1.00 0.00 H new ATOM 0 HA TRP B 41 2.389 -9.052 -6.160 1.00 0.00 H new ATOM 0 HB2 TRP B 41 1.896 -7.015 -4.925 1.00 0.00 H new ATOM 0 HB3 TRP B 41 0.327 -7.618 -4.428 1.00 0.00 H new ATOM 0 HD1 TRP B 41 4.080 -8.190 -3.811 1.00 0.00 H new ATOM 0 HE1 TRP B 41 4.412 -9.404 -1.553 1.00 0.00 H new ATOM 0 HE3 TRP B 41 -0.814 -9.038 -2.632 1.00 0.00 H new ATOM 0 HZ2 TRP B 41 2.736 -10.512 0.504 1.00 0.00 H new ATOM 0 HZ3 TRP B 41 -1.415 -10.122 -0.486 1.00 0.00 H new ATOM 0 HH2 TRP B 41 0.353 -10.865 1.076 1.00 0.00 H new ATOM 858 N ILE B 42 -0.460 -10.401 -5.195 1.00 0.00 N ATOM 859 CA ILE B 42 -1.046 -11.666 -4.761 1.00 0.00 C ATOM 860 C ILE B 42 -0.840 -12.740 -5.830 1.00 0.00 C ATOM 861 O ILE B 42 -0.530 -13.889 -5.518 1.00 0.00 O ATOM 862 CB ILE B 42 -2.548 -11.484 -4.473 1.00 0.00 C ATOM 863 CG1 ILE B 42 -3.061 -12.656 -3.630 1.00 0.00 C ATOM 864 CG2 ILE B 42 -3.344 -11.427 -5.786 1.00 0.00 C ATOM 865 CD1 ILE B 42 -4.497 -12.370 -3.188 1.00 0.00 C ATOM 0 H ILE B 42 -1.131 -9.647 -5.345 1.00 0.00 H new ATOM 0 HA ILE B 42 -0.549 -11.985 -3.845 1.00 0.00 H new ATOM 0 HB ILE B 42 -2.683 -10.549 -3.930 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -3.023 -13.579 -4.209 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -2.422 -12.800 -2.759 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -4.403 -11.298 -5.564 1.00 0.00 H new ATOM 0 HG22 ILE B 42 -2.995 -10.588 -6.387 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -3.200 -12.355 -6.340 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -4.865 -13.202 -2.588 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -4.520 -11.456 -2.594 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -5.131 -12.248 -4.066 1.00 0.00 H new ATOM 877 N LEU B 43 -1.009 -12.352 -7.091 1.00 0.00 N ATOM 878 CA LEU B 43 -0.840 -13.283 -8.199 1.00 0.00 C ATOM 879 C LEU B 43 0.595 -13.793 -8.251 1.00 0.00 C ATOM 880 O LEU B 43 0.835 -14.974 -8.502 1.00 0.00 O ATOM 881 CB LEU B 43 -1.195 -12.593 -9.524 1.00 0.00 C ATOM 882 CG LEU B 43 -0.952 -13.543 -10.708 1.00 0.00 C ATOM 883 CD1 LEU B 43 -1.748 -14.845 -10.523 1.00 0.00 C ATOM 884 CD2 LEU B 43 -1.400 -12.851 -12.000 1.00 0.00 C ATOM 0 H LEU B 43 -1.262 -11.404 -7.369 1.00 0.00 H new ATOM 0 HA LEU B 43 -1.508 -14.130 -8.045 1.00 0.00 H new ATOM 0 HB2 LEU B 43 -2.239 -12.280 -9.510 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -0.594 -11.692 -9.644 1.00 0.00 H new ATOM 0 HG LEU B 43 0.109 -13.787 -10.760 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -1.565 -15.507 -11.370 1.00 0.00 H new ATOM 0 HD12 LEU B 43 -1.432 -15.337 -9.603 1.00 0.00 H new ATOM 0 HD13 LEU B 43 -2.812 -14.616 -10.465 1.00 0.00 H new ATOM 0 HD21 LEU B 43 -1.232 -13.517 -12.847 1.00 0.00 H new ATOM 0 HD22 LEU B 43 -2.461 -12.609 -11.934 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -0.827 -11.935 -12.140 1.00 0.00 H new ATOM 896 N ASP B 44 1.546 -12.895 -8.020 1.00 0.00 N ATOM 897 CA ASP B 44 2.953 -13.268 -8.055 1.00 0.00 C ATOM 898 C ASP B 44 3.226 -14.400 -7.073 1.00 0.00 C ATOM 899 O ASP B 44 3.902 -15.375 -7.406 1.00 0.00 O ATOM 900 CB ASP B 44 3.825 -12.064 -7.697 1.00 0.00 C ATOM 901 CG ASP B 44 5.298 -12.439 -7.813 1.00 0.00 C ATOM 902 OD1 ASP B 44 5.574 -13.606 -8.034 1.00 0.00 O ATOM 903 OD2 ASP B 44 6.126 -11.553 -7.684 1.00 0.00 O ATOM 0 H ASP B 44 1.370 -11.913 -7.808 1.00 0.00 H new ATOM 0 HA ASP B 44 3.195 -13.604 -9.063 1.00 0.00 H new ATOM 0 HB2 ASP B 44 3.599 -11.230 -8.361 1.00 0.00 H new ATOM 0 HB3 ASP B 44 3.604 -11.732 -6.683 1.00 0.00 H new ATOM 1137 N VAL C 28 -1.807 13.989 -0.760 1.00 0.00 N ATOM 1138 CA VAL C 28 -0.828 13.986 -1.839 1.00 0.00 C ATOM 1139 C VAL C 28 0.235 12.923 -1.589 1.00 0.00 C ATOM 1140 O VAL C 28 0.617 12.184 -2.497 1.00 0.00 O ATOM 1141 CB VAL C 28 -0.169 15.363 -1.954 1.00 0.00 C ATOM 1142 CG1 VAL C 28 0.929 15.320 -3.018 1.00 0.00 C ATOM 1143 CG2 VAL C 28 -1.222 16.399 -2.349 1.00 0.00 C ATOM 0 HA VAL C 28 -1.341 13.756 -2.773 1.00 0.00 H new ATOM 0 HB VAL C 28 0.269 15.636 -0.994 1.00 0.00 H new ATOM 0 HG11 VAL C 28 1.397 16.301 -3.098 1.00 0.00 H new ATOM 0 HG12 VAL C 28 1.680 14.582 -2.736 1.00 0.00 H new ATOM 0 HG13 VAL C 28 0.494 15.046 -3.979 1.00 0.00 H new ATOM 0 HG21 VAL C 28 -0.754 17.380 -2.431 1.00 0.00 H new ATOM 0 HG22 VAL C 28 -1.661 16.124 -3.308 1.00 0.00 H new ATOM 0 HG23 VAL C 28 -2.003 16.432 -1.589 1.00 0.00 H new ATOM 1153 N ALA C 29 0.708 12.853 -0.350 1.00 0.00 N ATOM 1154 CA ALA C 29 1.727 11.878 0.015 1.00 0.00 C ATOM 1155 C ALA C 29 1.199 10.462 -0.170 1.00 0.00 C ATOM 1156 O ALA C 29 1.917 9.579 -0.635 1.00 0.00 O ATOM 1157 CB ALA C 29 2.149 12.079 1.471 1.00 0.00 C ATOM 0 H ALA C 29 0.404 13.456 0.414 1.00 0.00 H new ATOM 0 HA ALA C 29 2.590 12.023 -0.635 1.00 0.00 H new ATOM 0 HB1 ALA C 29 2.911 11.345 1.734 1.00 0.00 H new ATOM 0 HB2 ALA C 29 2.554 13.083 1.597 1.00 0.00 H new ATOM 0 HB3 ALA C 29 1.284 11.952 2.121 1.00 0.00 H new ATOM 1163 N ALA C 30 -0.061 10.246 0.192 1.00 0.00 N ATOM 1164 CA ALA C 30 -0.658 8.923 0.056 1.00 0.00 C ATOM 1165 C ALA C 30 -0.516 8.426 -1.377 1.00 0.00 C ATOM 1166 O ALA C 30 -0.059 7.308 -1.613 1.00 0.00 O ATOM 1167 CB ALA C 30 -2.137 8.974 0.442 1.00 0.00 C ATOM 0 H ALA C 30 -0.681 10.959 0.576 1.00 0.00 H new ATOM 0 HA ALA C 30 -0.138 8.235 0.722 1.00 0.00 H new ATOM 0 HB1 ALA C 30 -2.575 7.981 0.337 1.00 0.00 H new ATOM 0 HB2 ALA C 30 -2.232 9.305 1.476 1.00 0.00 H new ATOM 0 HB3 ALA C 30 -2.660 9.672 -0.212 1.00 0.00 H new ATOM 1173 N SER C 31 -0.904 9.265 -2.334 1.00 0.00 N ATOM 1174 CA SER C 31 -0.802 8.894 -3.743 1.00 0.00 C ATOM 1175 C SER C 31 0.655 8.654 -4.137 1.00 0.00 C ATOM 1176 O SER C 31 0.965 7.698 -4.848 1.00 0.00 O ATOM 1177 CB SER C 31 -1.397 9.998 -4.619 1.00 0.00 C ATOM 1178 OG SER C 31 -1.000 9.791 -5.967 1.00 0.00 O ATOM 0 H SER C 31 -1.287 10.195 -2.164 1.00 0.00 H new ATOM 0 HA SER C 31 -1.360 7.970 -3.895 1.00 0.00 H new ATOM 0 HB2 SER C 31 -2.484 9.993 -4.543 1.00 0.00 H new ATOM 0 HB3 SER C 31 -1.058 10.975 -4.274 1.00 0.00 H new ATOM 0 HG SER C 31 -1.381 10.496 -6.532 1.00 0.00 H new ATOM 1184 N ILE C 32 1.542 9.531 -3.675 1.00 0.00 N ATOM 1185 CA ILE C 32 2.966 9.415 -3.986 1.00 0.00 C ATOM 1186 C ILE C 32 3.543 8.120 -3.416 1.00 0.00 C ATOM 1187 O ILE C 32 4.324 7.440 -4.074 1.00 0.00 O ATOM 1188 CB ILE C 32 3.732 10.619 -3.427 1.00 0.00 C ATOM 1189 CG1 ILE C 32 3.313 11.881 -4.184 1.00 0.00 C ATOM 1190 CG2 ILE C 32 5.238 10.400 -3.607 1.00 0.00 C ATOM 1191 CD1 ILE C 32 3.866 13.116 -3.469 1.00 0.00 C ATOM 0 H ILE C 32 1.302 10.328 -3.086 1.00 0.00 H new ATOM 0 HA ILE C 32 3.076 9.395 -5.070 1.00 0.00 H new ATOM 0 HB ILE C 32 3.505 10.732 -2.367 1.00 0.00 H new ATOM 0 HG12 ILE C 32 3.686 11.844 -5.208 1.00 0.00 H new ATOM 0 HG13 ILE C 32 2.226 11.938 -4.242 1.00 0.00 H new ATOM 0 HG21 ILE C 32 5.781 11.257 -3.209 1.00 0.00 H new ATOM 0 HG22 ILE C 32 5.541 9.499 -3.073 1.00 0.00 H new ATOM 0 HG23 ILE C 32 5.465 10.287 -4.667 1.00 0.00 H new ATOM 0 HD11 ILE C 32 3.567 14.014 -4.010 1.00 0.00 H new ATOM 0 HD12 ILE C 32 3.472 13.155 -2.454 1.00 0.00 H new ATOM 0 HD13 ILE C 32 4.954 13.059 -3.434 1.00 0.00 H new ATOM 1203 N ILE C 33 3.161 7.791 -2.188 1.00 0.00 N ATOM 1204 CA ILE C 33 3.661 6.577 -1.549 1.00 0.00 C ATOM 1205 C ILE C 33 3.257 5.338 -2.346 1.00 0.00 C ATOM 1206 O ILE C 33 4.070 4.439 -2.562 1.00 0.00 O ATOM 1207 CB ILE C 33 3.107 6.479 -0.118 1.00 0.00 C ATOM 1208 CG1 ILE C 33 3.760 7.556 0.755 1.00 0.00 C ATOM 1209 CG2 ILE C 33 3.396 5.091 0.476 1.00 0.00 C ATOM 1210 CD1 ILE C 33 2.964 7.699 2.055 1.00 0.00 C ATOM 0 H ILE C 33 2.515 8.339 -1.620 1.00 0.00 H new ATOM 0 HA ILE C 33 4.749 6.626 -1.517 1.00 0.00 H new ATOM 0 HB ILE C 33 2.028 6.630 -0.146 1.00 0.00 H new ATOM 0 HG12 ILE C 33 4.793 7.286 0.975 1.00 0.00 H new ATOM 0 HG13 ILE C 33 3.785 8.507 0.223 1.00 0.00 H new ATOM 0 HG21 ILE C 33 2.997 5.039 1.489 1.00 0.00 H new ATOM 0 HG22 ILE C 33 2.923 4.326 -0.140 1.00 0.00 H new ATOM 0 HG23 ILE C 33 4.473 4.923 0.501 1.00 0.00 H new ATOM 0 HD11 ILE C 33 3.424 8.464 2.681 1.00 0.00 H new ATOM 0 HD12 ILE C 33 1.938 7.987 1.824 1.00 0.00 H new ATOM 0 HD13 ILE C 33 2.962 6.748 2.587 1.00 0.00 H new ATOM 1222 N GLY C 34 2.005 5.289 -2.781 1.00 0.00 N ATOM 1223 CA GLY C 34 1.528 4.145 -3.548 1.00 0.00 C ATOM 1224 C GLY C 34 2.239 4.044 -4.897 1.00 0.00 C ATOM 1225 O GLY C 34 2.778 2.995 -5.246 1.00 0.00 O ATOM 0 H GLY C 34 1.309 6.017 -2.619 1.00 0.00 H new ATOM 0 HA2 GLY C 34 1.692 3.230 -2.979 1.00 0.00 H new ATOM 0 HA3 GLY C 34 0.453 4.234 -3.707 1.00 0.00 H new ATOM 1229 N ILE C 35 2.232 5.138 -5.654 1.00 0.00 N ATOM 1230 CA ILE C 35 2.874 5.150 -6.967 1.00 0.00 C ATOM 1231 C ILE C 35 4.392 4.983 -6.843 1.00 0.00 C ATOM 1232 O ILE C 35 5.004 4.226 -7.596 1.00 0.00 O ATOM 1233 CB ILE C 35 2.556 6.465 -7.687 1.00 0.00 C ATOM 1234 CG1 ILE C 35 1.061 6.516 -8.013 1.00 0.00 C ATOM 1235 CG2 ILE C 35 3.358 6.546 -8.993 1.00 0.00 C ATOM 1236 CD1 ILE C 35 0.686 7.929 -8.471 1.00 0.00 C ATOM 0 H ILE C 35 1.794 6.019 -5.386 1.00 0.00 H new ATOM 0 HA ILE C 35 2.484 4.311 -7.544 1.00 0.00 H new ATOM 0 HB ILE C 35 2.823 7.302 -7.043 1.00 0.00 H new ATOM 0 HG12 ILE C 35 0.823 5.794 -8.794 1.00 0.00 H new ATOM 0 HG13 ILE C 35 0.477 6.240 -7.135 1.00 0.00 H new ATOM 0 HG21 ILE C 35 3.130 7.482 -9.503 1.00 0.00 H new ATOM 0 HG22 ILE C 35 4.424 6.506 -8.769 1.00 0.00 H new ATOM 0 HG23 ILE C 35 3.091 5.708 -9.637 1.00 0.00 H new ATOM 0 HD11 ILE C 35 -0.378 7.966 -8.703 1.00 0.00 H new ATOM 0 HD12 ILE C 35 0.909 8.640 -7.676 1.00 0.00 H new ATOM 0 HD13 ILE C 35 1.261 8.188 -9.360 1.00 0.00 H new ATOM 1248 N LEU C 36 4.991 5.705 -5.899 1.00 0.00 N ATOM 1249 CA LEU C 36 6.438 5.639 -5.697 1.00 0.00 C ATOM 1250 C LEU C 36 6.861 4.237 -5.278 1.00 0.00 C ATOM 1251 O LEU C 36 7.825 3.682 -5.808 1.00 0.00 O ATOM 1252 CB LEU C 36 6.856 6.647 -4.620 1.00 0.00 C ATOM 1253 CG LEU C 36 8.384 6.653 -4.450 1.00 0.00 C ATOM 1254 CD1 LEU C 36 9.062 7.122 -5.750 1.00 0.00 C ATOM 1255 CD2 LEU C 36 8.749 7.605 -3.306 1.00 0.00 C ATOM 0 H LEU C 36 4.502 6.338 -5.266 1.00 0.00 H new ATOM 0 HA LEU C 36 6.930 5.883 -6.638 1.00 0.00 H new ATOM 0 HB2 LEU C 36 6.511 7.644 -4.894 1.00 0.00 H new ATOM 0 HB3 LEU C 36 6.380 6.394 -3.673 1.00 0.00 H new ATOM 0 HG LEU C 36 8.729 5.644 -4.222 1.00 0.00 H new ATOM 0 HD11 LEU C 36 10.144 7.122 -5.617 1.00 0.00 H new ATOM 0 HD12 LEU C 36 8.797 6.446 -6.563 1.00 0.00 H new ATOM 0 HD13 LEU C 36 8.726 8.130 -5.992 1.00 0.00 H new ATOM 0 HD21 LEU C 36 9.831 7.618 -3.175 1.00 0.00 H new ATOM 0 HD22 LEU C 36 8.400 8.610 -3.543 1.00 0.00 H new ATOM 0 HD23 LEU C 36 8.276 7.265 -2.385 1.00 0.00 H new ATOM 1267 N HIS C 37 6.130 3.664 -4.329 1.00 0.00 N ATOM 1268 CA HIS C 37 6.441 2.324 -3.855 1.00 0.00 C ATOM 1269 C HIS C 37 6.354 1.327 -5.001 1.00 0.00 C ATOM 1270 O HIS C 37 7.177 0.417 -5.108 1.00 0.00 O ATOM 1271 CB HIS C 37 5.473 1.909 -2.746 1.00 0.00 C ATOM 1272 CG HIS C 37 5.841 0.530 -2.267 1.00 0.00 C ATOM 1273 ND1 HIS C 37 6.270 0.278 -0.974 1.00 0.00 N ATOM 1274 CD2 HIS C 37 5.865 -0.679 -2.909 1.00 0.00 C ATOM 1275 CE1 HIS C 37 6.533 -1.038 -0.886 1.00 0.00 C ATOM 1276 NE2 HIS C 37 6.300 -1.668 -2.037 1.00 0.00 N ATOM 0 H HIS C 37 5.327 4.102 -3.878 1.00 0.00 H new ATOM 0 HA HIS C 37 7.456 2.330 -3.458 1.00 0.00 H new ATOM 0 HB2 HIS C 37 5.519 2.619 -1.921 1.00 0.00 H new ATOM 0 HB3 HIS C 37 4.448 1.918 -3.117 1.00 0.00 H new ATOM 0 HD2 HIS C 37 5.587 -0.840 -3.940 1.00 0.00 H new ATOM 0 HE1 HIS C 37 6.890 -1.525 0.009 1.00 0.00 H new ATOM 0 HE2 HIS C 37 6.416 -2.662 -2.235 1.00 0.00 H new ATOM 1284 N LEU C 38 5.349 1.498 -5.852 1.00 0.00 N ATOM 1285 CA LEU C 38 5.154 0.592 -6.979 1.00 0.00 C ATOM 1286 C LEU C 38 6.359 0.604 -7.912 1.00 0.00 C ATOM 1287 O LEU C 38 6.748 -0.439 -8.420 1.00 0.00 O ATOM 1288 CB LEU C 38 3.886 0.984 -7.767 1.00 0.00 C ATOM 1289 CG LEU C 38 2.642 0.286 -7.184 1.00 0.00 C ATOM 1290 CD1 LEU C 38 1.376 1.009 -7.665 1.00 0.00 C ATOM 1291 CD2 LEU C 38 2.592 -1.184 -7.647 1.00 0.00 C ATOM 0 H LEU C 38 4.662 2.249 -5.785 1.00 0.00 H new ATOM 0 HA LEU C 38 5.037 -0.415 -6.579 1.00 0.00 H new ATOM 0 HB2 LEU C 38 3.751 2.065 -7.733 1.00 0.00 H new ATOM 0 HB3 LEU C 38 4.005 0.710 -8.815 1.00 0.00 H new ATOM 0 HG LEU C 38 2.697 0.318 -6.096 1.00 0.00 H new ATOM 0 HD11 LEU C 38 0.496 0.515 -7.253 1.00 0.00 H new ATOM 0 HD12 LEU C 38 1.400 2.046 -7.331 1.00 0.00 H new ATOM 0 HD13 LEU C 38 1.332 0.980 -8.754 1.00 0.00 H new ATOM 0 HD21 LEU C 38 1.709 -1.667 -7.229 1.00 0.00 H new ATOM 0 HD22 LEU C 38 2.545 -1.221 -8.735 1.00 0.00 H new ATOM 0 HD23 LEU C 38 3.487 -1.704 -7.304 1.00 0.00 H new ATOM 1303 N ILE C 39 6.930 1.773 -8.149 1.00 0.00 N ATOM 1304 CA ILE C 39 8.074 1.863 -9.044 1.00 0.00 C ATOM 1305 C ILE C 39 9.242 1.053 -8.482 1.00 0.00 C ATOM 1306 O ILE C 39 9.901 0.308 -9.205 1.00 0.00 O ATOM 1307 CB ILE C 39 8.484 3.326 -9.208 1.00 0.00 C ATOM 1308 CG1 ILE C 39 7.362 4.081 -9.923 1.00 0.00 C ATOM 1309 CG2 ILE C 39 9.759 3.409 -10.051 1.00 0.00 C ATOM 1310 CD1 ILE C 39 7.612 5.587 -9.832 1.00 0.00 C ATOM 0 H ILE C 39 6.628 2.659 -7.743 1.00 0.00 H new ATOM 0 HA ILE C 39 7.800 1.456 -10.018 1.00 0.00 H new ATOM 0 HB ILE C 39 8.666 3.767 -8.228 1.00 0.00 H new ATOM 0 HG12 ILE C 39 7.312 3.774 -10.968 1.00 0.00 H new ATOM 0 HG13 ILE C 39 6.401 3.835 -9.472 1.00 0.00 H new ATOM 0 HG21 ILE C 39 10.051 4.453 -10.168 1.00 0.00 H new ATOM 0 HG22 ILE C 39 10.560 2.862 -9.554 1.00 0.00 H new ATOM 0 HG23 ILE C 39 9.575 2.972 -11.032 1.00 0.00 H new ATOM 0 HD11 ILE C 39 6.810 6.120 -10.343 1.00 0.00 H new ATOM 0 HD12 ILE C 39 7.639 5.889 -8.785 1.00 0.00 H new ATOM 0 HD13 ILE C 39 8.565 5.827 -10.303 1.00 0.00 H new ATOM 1322 N LEU C 40 9.494 1.203 -7.185 1.00 0.00 N ATOM 1323 CA LEU C 40 10.582 0.466 -6.545 1.00 0.00 C ATOM 1324 C LEU C 40 10.253 -1.027 -6.439 1.00 0.00 C ATOM 1325 O LEU C 40 11.106 -1.876 -6.692 1.00 0.00 O ATOM 1326 CB LEU C 40 10.851 1.048 -5.147 1.00 0.00 C ATOM 1327 CG LEU C 40 11.768 2.284 -5.255 1.00 0.00 C ATOM 1328 CD1 LEU C 40 13.198 1.866 -5.672 1.00 0.00 C ATOM 1329 CD2 LEU C 40 11.188 3.263 -6.292 1.00 0.00 C ATOM 0 H LEU C 40 8.969 1.818 -6.563 1.00 0.00 H new ATOM 0 HA LEU C 40 11.475 0.570 -7.161 1.00 0.00 H new ATOM 0 HB2 LEU C 40 9.910 1.324 -4.672 1.00 0.00 H new ATOM 0 HB3 LEU C 40 11.318 0.293 -4.514 1.00 0.00 H new ATOM 0 HG LEU C 40 11.820 2.770 -4.281 1.00 0.00 H new ATOM 0 HD11 LEU C 40 13.830 2.751 -5.743 1.00 0.00 H new ATOM 0 HD12 LEU C 40 13.610 1.185 -4.927 1.00 0.00 H new ATOM 0 HD13 LEU C 40 13.163 1.367 -6.640 1.00 0.00 H new ATOM 0 HD21 LEU C 40 11.835 4.137 -6.369 1.00 0.00 H new ATOM 0 HD22 LEU C 40 11.126 2.771 -7.262 1.00 0.00 H new ATOM 0 HD23 LEU C 40 10.192 3.576 -5.980 1.00 0.00 H new ATOM 1341 N TRP C 41 9.018 -1.340 -6.050 1.00 0.00 N ATOM 1342 CA TRP C 41 8.599 -2.732 -5.898 1.00 0.00 C ATOM 1343 C TRP C 41 8.500 -3.443 -7.247 1.00 0.00 C ATOM 1344 O TRP C 41 8.994 -4.561 -7.405 1.00 0.00 O ATOM 1345 CB TRP C 41 7.259 -2.793 -5.150 1.00 0.00 C ATOM 1346 CG TRP C 41 6.711 -4.187 -5.168 1.00 0.00 C ATOM 1347 CD1 TRP C 41 7.056 -5.174 -4.309 1.00 0.00 C ATOM 1348 CD2 TRP C 41 5.686 -4.744 -6.038 1.00 0.00 C ATOM 1349 NE1 TRP C 41 6.339 -6.314 -4.629 1.00 0.00 N ATOM 1350 CE2 TRP C 41 5.476 -6.093 -5.680 1.00 0.00 C ATOM 1351 CE3 TRP C 41 4.933 -4.216 -7.101 1.00 0.00 C ATOM 1352 CZ2 TRP C 41 4.553 -6.888 -6.352 1.00 0.00 C ATOM 1353 CZ3 TRP C 41 3.993 -5.015 -7.771 1.00 0.00 C ATOM 1354 CH2 TRP C 41 3.808 -6.348 -7.397 1.00 0.00 C ATOM 0 H TRP C 41 8.295 -0.654 -5.836 1.00 0.00 H new ATOM 0 HA TRP C 41 9.358 -3.254 -5.315 1.00 0.00 H new ATOM 0 HB2 TRP C 41 7.395 -2.463 -4.120 1.00 0.00 H new ATOM 0 HB3 TRP C 41 6.546 -2.110 -5.612 1.00 0.00 H new ATOM 0 HD1 TRP C 41 7.773 -5.087 -3.506 1.00 0.00 H new ATOM 0 HE1 TRP C 41 6.437 -7.207 -4.146 1.00 0.00 H new ATOM 0 HE3 TRP C 41 5.078 -3.190 -7.404 1.00 0.00 H new ATOM 0 HZ2 TRP C 41 4.415 -7.920 -6.064 1.00 0.00 H new ATOM 0 HZ3 TRP C 41 3.411 -4.597 -8.579 1.00 0.00 H new ATOM 0 HH2 TRP C 41 3.087 -6.960 -7.919 1.00 0.00 H new ATOM 1365 N ILE C 42 7.860 -2.799 -8.213 1.00 0.00 N ATOM 1366 CA ILE C 42 7.708 -3.397 -9.535 1.00 0.00 C ATOM 1367 C ILE C 42 9.072 -3.558 -10.204 1.00 0.00 C ATOM 1368 O ILE C 42 9.348 -4.574 -10.841 1.00 0.00 O ATOM 1369 CB ILE C 42 6.786 -2.525 -10.407 1.00 0.00 C ATOM 1370 CG1 ILE C 42 6.286 -3.336 -11.607 1.00 0.00 C ATOM 1371 CG2 ILE C 42 7.543 -1.290 -10.921 1.00 0.00 C ATOM 1372 CD1 ILE C 42 5.224 -2.529 -12.355 1.00 0.00 C ATOM 0 H ILE C 42 7.442 -1.874 -8.111 1.00 0.00 H new ATOM 0 HA ILE C 42 7.257 -4.383 -9.424 1.00 0.00 H new ATOM 0 HB ILE C 42 5.941 -2.202 -9.798 1.00 0.00 H new ATOM 0 HG12 ILE C 42 7.116 -3.571 -12.273 1.00 0.00 H new ATOM 0 HG13 ILE C 42 5.868 -4.285 -11.271 1.00 0.00 H new ATOM 0 HG21 ILE C 42 6.877 -0.685 -11.536 1.00 0.00 H new ATOM 0 HG22 ILE C 42 7.893 -0.699 -10.074 1.00 0.00 H new ATOM 0 HG23 ILE C 42 8.397 -1.609 -11.518 1.00 0.00 H new ATOM 0 HD11 ILE C 42 4.866 -3.103 -13.210 1.00 0.00 H new ATOM 0 HD12 ILE C 42 4.390 -2.316 -11.686 1.00 0.00 H new ATOM 0 HD13 ILE C 42 5.658 -1.592 -12.704 1.00 0.00 H new ATOM 1384 N LEU C 43 9.924 -2.548 -10.048 1.00 0.00 N ATOM 1385 CA LEU C 43 11.256 -2.583 -10.638 1.00 0.00 C ATOM 1386 C LEU C 43 12.069 -3.730 -10.050 1.00 0.00 C ATOM 1387 O LEU C 43 12.803 -4.414 -10.762 1.00 0.00 O ATOM 1388 CB LEU C 43 11.978 -1.252 -10.385 1.00 0.00 C ATOM 1389 CG LEU C 43 13.412 -1.300 -10.942 1.00 0.00 C ATOM 1390 CD1 LEU C 43 13.393 -1.655 -12.437 1.00 0.00 C ATOM 1391 CD2 LEU C 43 14.065 0.071 -10.750 1.00 0.00 C ATOM 0 H LEU C 43 9.716 -1.700 -9.521 1.00 0.00 H new ATOM 0 HA LEU C 43 11.155 -2.739 -11.712 1.00 0.00 H new ATOM 0 HB2 LEU C 43 11.426 -0.438 -10.855 1.00 0.00 H new ATOM 0 HB3 LEU C 43 12.004 -1.044 -9.315 1.00 0.00 H new ATOM 0 HG LEU C 43 13.980 -2.063 -10.409 1.00 0.00 H new ATOM 0 HD11 LEU C 43 14.414 -1.685 -12.817 1.00 0.00 H new ATOM 0 HD12 LEU C 43 12.926 -2.630 -12.573 1.00 0.00 H new ATOM 0 HD13 LEU C 43 12.825 -0.901 -12.983 1.00 0.00 H new ATOM 0 HD21 LEU C 43 15.082 0.048 -11.142 1.00 0.00 H new ATOM 0 HD22 LEU C 43 13.488 0.827 -11.283 1.00 0.00 H new ATOM 0 HD23 LEU C 43 14.091 0.316 -9.688 1.00 0.00 H new ATOM 1403 N ASP C 44 11.942 -3.927 -8.742 1.00 0.00 N ATOM 1404 CA ASP C 44 12.680 -4.987 -8.069 1.00 0.00 C ATOM 1405 C ASP C 44 12.373 -6.334 -8.708 1.00 0.00 C ATOM 1406 O ASP C 44 13.278 -7.124 -8.978 1.00 0.00 O ATOM 1407 CB ASP C 44 12.302 -5.030 -6.589 1.00 0.00 C ATOM 1408 CG ASP C 44 13.143 -6.079 -5.870 1.00 0.00 C ATOM 1409 OD1 ASP C 44 13.863 -6.795 -6.545 1.00 0.00 O ATOM 1410 OD2 ASP C 44 13.056 -6.151 -4.656 1.00 0.00 O ATOM 0 H ASP C 44 11.341 -3.372 -8.133 1.00 0.00 H new ATOM 0 HA ASP C 44 13.746 -4.780 -8.166 1.00 0.00 H new ATOM 0 HB2 ASP C 44 12.460 -4.051 -6.136 1.00 0.00 H new ATOM 0 HB3 ASP C 44 11.243 -5.264 -6.482 1.00 0.00 H new ATOM 1628 N VAL D 27 -7.518 8.250 8.425 1.00 0.00 N ATOM 1629 CA VAL D 27 -6.645 9.092 7.612 1.00 0.00 C ATOM 1630 C VAL D 27 -5.210 9.047 8.136 1.00 0.00 C ATOM 1631 O VAL D 27 -4.262 8.841 7.373 1.00 0.00 O ATOM 1632 CB VAL D 27 -7.151 10.537 7.636 1.00 0.00 C ATOM 1633 CG1 VAL D 27 -6.174 11.440 6.879 1.00 0.00 C ATOM 1634 CG2 VAL D 27 -8.530 10.607 6.976 1.00 0.00 C ATOM 0 HA VAL D 27 -6.657 8.715 6.589 1.00 0.00 H new ATOM 0 HB VAL D 27 -7.225 10.875 8.670 1.00 0.00 H new ATOM 0 HG11 VAL D 27 -6.538 12.467 6.899 1.00 0.00 H new ATOM 0 HG12 VAL D 27 -5.194 11.393 7.353 1.00 0.00 H new ATOM 0 HG13 VAL D 27 -6.094 11.103 5.845 1.00 0.00 H new ATOM 0 HG21 VAL D 27 -8.890 11.636 6.993 1.00 0.00 H new ATOM 0 HG22 VAL D 27 -8.457 10.265 5.943 1.00 0.00 H new ATOM 0 HG23 VAL D 27 -9.227 9.970 7.521 1.00 0.00 H new ATOM 1644 N VAL D 28 -5.060 9.238 9.442 1.00 0.00 N ATOM 1645 CA VAL D 28 -3.741 9.219 10.064 1.00 0.00 C ATOM 1646 C VAL D 28 -3.126 7.830 9.959 1.00 0.00 C ATOM 1647 O VAL D 28 -1.946 7.682 9.636 1.00 0.00 O ATOM 1648 CB VAL D 28 -3.848 9.629 11.533 1.00 0.00 C ATOM 1649 CG1 VAL D 28 -2.477 9.508 12.202 1.00 0.00 C ATOM 1650 CG2 VAL D 28 -4.331 11.077 11.623 1.00 0.00 C ATOM 0 H VAL D 28 -5.831 9.407 10.088 1.00 0.00 H new ATOM 0 HA VAL D 28 -3.100 9.928 9.541 1.00 0.00 H new ATOM 0 HB VAL D 28 -4.557 8.975 12.040 1.00 0.00 H new ATOM 0 HG11 VAL D 28 -2.556 9.801 13.249 1.00 0.00 H new ATOM 0 HG12 VAL D 28 -2.131 8.476 12.139 1.00 0.00 H new ATOM 0 HG13 VAL D 28 -1.766 10.161 11.695 1.00 0.00 H new ATOM 0 HG21 VAL D 28 -4.408 11.371 12.670 1.00 0.00 H new ATOM 0 HG22 VAL D 28 -3.621 11.730 11.114 1.00 0.00 H new ATOM 0 HG23 VAL D 28 -5.309 11.165 11.149 1.00 0.00 H new ATOM 1660 N ALA D 29 -3.933 6.812 10.236 1.00 0.00 N ATOM 1661 CA ALA D 29 -3.463 5.436 10.172 1.00 0.00 C ATOM 1662 C ALA D 29 -3.038 5.084 8.752 1.00 0.00 C ATOM 1663 O ALA D 29 -2.035 4.405 8.549 1.00 0.00 O ATOM 1664 CB ALA D 29 -4.571 4.483 10.624 1.00 0.00 C ATOM 0 H ALA D 29 -4.911 6.914 10.506 1.00 0.00 H new ATOM 0 HA ALA D 29 -2.604 5.334 10.835 1.00 0.00 H new ATOM 0 HB1 ALA D 29 -4.211 3.456 10.573 1.00 0.00 H new ATOM 0 HB2 ALA D 29 -4.856 4.717 11.650 1.00 0.00 H new ATOM 0 HB3 ALA D 29 -5.437 4.597 9.972 1.00 0.00 H new ATOM 1670 N ALA D 30 -3.799 5.552 7.772 1.00 0.00 N ATOM 1671 CA ALA D 30 -3.478 5.269 6.379 1.00 0.00 C ATOM 1672 C ALA D 30 -2.047 5.696 6.070 1.00 0.00 C ATOM 1673 O ALA D 30 -1.264 4.921 5.519 1.00 0.00 O ATOM 1674 CB ALA D 30 -4.446 6.012 5.457 1.00 0.00 C ATOM 0 H ALA D 30 -4.633 6.122 7.912 1.00 0.00 H new ATOM 0 HA ALA D 30 -3.573 4.196 6.211 1.00 0.00 H new ATOM 0 HB1 ALA D 30 -4.198 5.794 4.418 1.00 0.00 H new ATOM 0 HB2 ALA D 30 -5.466 5.687 5.663 1.00 0.00 H new ATOM 0 HB3 ALA D 30 -4.365 7.085 5.632 1.00 0.00 H new ATOM 1680 N SER D 31 -1.706 6.927 6.437 1.00 0.00 N ATOM 1681 CA SER D 31 -0.358 7.436 6.200 1.00 0.00 C ATOM 1682 C SER D 31 0.675 6.609 6.966 1.00 0.00 C ATOM 1683 O SER D 31 1.737 6.280 6.436 1.00 0.00 O ATOM 1684 CB SER D 31 -0.267 8.900 6.631 1.00 0.00 C ATOM 1685 OG SER D 31 1.101 9.281 6.711 1.00 0.00 O ATOM 0 H SER D 31 -2.336 7.585 6.895 1.00 0.00 H new ATOM 0 HA SER D 31 -0.146 7.359 5.134 1.00 0.00 H new ATOM 0 HB2 SER D 31 -0.792 9.535 5.917 1.00 0.00 H new ATOM 0 HB3 SER D 31 -0.752 9.038 7.597 1.00 0.00 H new ATOM 0 HG SER D 31 1.164 10.220 6.986 1.00 0.00 H new ATOM 1691 N ILE D 32 0.359 6.284 8.217 1.00 0.00 N ATOM 1692 CA ILE D 32 1.267 5.504 9.055 1.00 0.00 C ATOM 1693 C ILE D 32 1.488 4.114 8.463 1.00 0.00 C ATOM 1694 O ILE D 32 2.609 3.611 8.449 1.00 0.00 O ATOM 1695 CB ILE D 32 0.705 5.381 10.476 1.00 0.00 C ATOM 1696 CG1 ILE D 32 0.716 6.760 11.143 1.00 0.00 C ATOM 1697 CG2 ILE D 32 1.572 4.418 11.293 1.00 0.00 C ATOM 1698 CD1 ILE D 32 -0.078 6.700 12.450 1.00 0.00 C ATOM 0 H ILE D 32 -0.515 6.547 8.672 1.00 0.00 H new ATOM 0 HA ILE D 32 2.225 6.023 9.094 1.00 0.00 H new ATOM 0 HB ILE D 32 -0.315 4.999 10.431 1.00 0.00 H new ATOM 0 HG12 ILE D 32 1.741 7.072 11.342 1.00 0.00 H new ATOM 0 HG13 ILE D 32 0.281 7.503 10.474 1.00 0.00 H new ATOM 0 HG21 ILE D 32 1.169 4.333 12.302 1.00 0.00 H new ATOM 0 HG22 ILE D 32 1.572 3.437 10.819 1.00 0.00 H new ATOM 0 HG23 ILE D 32 2.593 4.798 11.340 1.00 0.00 H new ATOM 0 HD11 ILE D 32 -0.071 7.681 12.925 1.00 0.00 H new ATOM 0 HD12 ILE D 32 -1.106 6.407 12.238 1.00 0.00 H new ATOM 0 HD13 ILE D 32 0.377 5.969 13.119 1.00 0.00 H new ATOM 1710 N ILE D 33 0.418 3.495 7.984 1.00 0.00 N ATOM 1711 CA ILE D 33 0.522 2.161 7.402 1.00 0.00 C ATOM 1712 C ILE D 33 1.451 2.166 6.190 1.00 0.00 C ATOM 1713 O ILE D 33 2.290 1.279 6.040 1.00 0.00 O ATOM 1714 CB ILE D 33 -0.873 1.672 6.984 1.00 0.00 C ATOM 1715 CG1 ILE D 33 -1.706 1.370 8.235 1.00 0.00 C ATOM 1716 CG2 ILE D 33 -0.760 0.404 6.120 1.00 0.00 C ATOM 1717 CD1 ILE D 33 -3.177 1.231 7.834 1.00 0.00 C ATOM 0 H ILE D 33 -0.523 3.888 7.986 1.00 0.00 H new ATOM 0 HA ILE D 33 0.939 1.488 8.151 1.00 0.00 H new ATOM 0 HB ILE D 33 -1.360 2.453 6.399 1.00 0.00 H new ATOM 0 HG12 ILE D 33 -1.356 0.452 8.707 1.00 0.00 H new ATOM 0 HG13 ILE D 33 -1.589 2.169 8.967 1.00 0.00 H new ATOM 0 HG21 ILE D 33 -1.757 0.070 5.832 1.00 0.00 H new ATOM 0 HG22 ILE D 33 -0.178 0.624 5.225 1.00 0.00 H new ATOM 0 HG23 ILE D 33 -0.265 -0.382 6.690 1.00 0.00 H new ATOM 0 HD11 ILE D 33 -3.777 1.016 8.719 1.00 0.00 H new ATOM 0 HD12 ILE D 33 -3.520 2.161 7.380 1.00 0.00 H new ATOM 0 HD13 ILE D 33 -3.283 0.417 7.117 1.00 0.00 H new ATOM 1729 N GLY D 34 1.299 3.162 5.326 1.00 0.00 N ATOM 1730 CA GLY D 34 2.138 3.246 4.137 1.00 0.00 C ATOM 1731 C GLY D 34 3.599 3.488 4.505 1.00 0.00 C ATOM 1732 O GLY D 34 4.487 2.760 4.059 1.00 0.00 O ATOM 0 H GLY D 34 0.614 3.912 5.423 1.00 0.00 H new ATOM 0 HA2 GLY D 34 2.053 2.323 3.564 1.00 0.00 H new ATOM 0 HA3 GLY D 34 1.784 4.053 3.496 1.00 0.00 H new ATOM 1736 N ILE D 35 3.846 4.513 5.315 1.00 0.00 N ATOM 1737 CA ILE D 35 5.209 4.841 5.724 1.00 0.00 C ATOM 1738 C ILE D 35 5.808 3.733 6.594 1.00 0.00 C ATOM 1739 O ILE D 35 6.963 3.346 6.411 1.00 0.00 O ATOM 1740 CB ILE D 35 5.214 6.166 6.498 1.00 0.00 C ATOM 1741 CG1 ILE D 35 4.831 7.307 5.551 1.00 0.00 C ATOM 1742 CG2 ILE D 35 6.613 6.428 7.065 1.00 0.00 C ATOM 1743 CD1 ILE D 35 4.558 8.575 6.362 1.00 0.00 C ATOM 0 H ILE D 35 3.127 5.127 5.699 1.00 0.00 H new ATOM 0 HA ILE D 35 5.819 4.937 4.826 1.00 0.00 H new ATOM 0 HB ILE D 35 4.496 6.109 7.317 1.00 0.00 H new ATOM 0 HG12 ILE D 35 5.635 7.486 4.837 1.00 0.00 H new ATOM 0 HG13 ILE D 35 3.947 7.034 4.975 1.00 0.00 H new ATOM 0 HG21 ILE D 35 6.613 7.370 7.614 1.00 0.00 H new ATOM 0 HG22 ILE D 35 6.891 5.616 7.737 1.00 0.00 H new ATOM 0 HG23 ILE D 35 7.332 6.485 6.248 1.00 0.00 H new ATOM 0 HD11 ILE D 35 4.285 9.387 5.687 1.00 0.00 H new ATOM 0 HD12 ILE D 35 3.740 8.392 7.059 1.00 0.00 H new ATOM 0 HD13 ILE D 35 5.454 8.851 6.918 1.00 0.00 H new ATOM 1755 N LEU D 36 5.023 3.237 7.547 1.00 0.00 N ATOM 1756 CA LEU D 36 5.493 2.184 8.447 1.00 0.00 C ATOM 1757 C LEU D 36 5.816 0.914 7.669 1.00 0.00 C ATOM 1758 O LEU D 36 6.864 0.299 7.872 1.00 0.00 O ATOM 1759 CB LEU D 36 4.416 1.885 9.497 1.00 0.00 C ATOM 1760 CG LEU D 36 4.921 0.841 10.505 1.00 0.00 C ATOM 1761 CD1 LEU D 36 6.131 1.392 11.284 1.00 0.00 C ATOM 1762 CD2 LEU D 36 3.788 0.509 11.482 1.00 0.00 C ATOM 0 H LEU D 36 4.065 3.544 7.717 1.00 0.00 H new ATOM 0 HA LEU D 36 6.401 2.529 8.941 1.00 0.00 H new ATOM 0 HB2 LEU D 36 4.145 2.802 10.020 1.00 0.00 H new ATOM 0 HB3 LEU D 36 3.514 1.519 9.007 1.00 0.00 H new ATOM 0 HG LEU D 36 5.231 -0.058 9.971 1.00 0.00 H new ATOM 0 HD11 LEU D 36 6.478 0.642 11.995 1.00 0.00 H new ATOM 0 HD12 LEU D 36 6.934 1.631 10.587 1.00 0.00 H new ATOM 0 HD13 LEU D 36 5.837 2.293 11.822 1.00 0.00 H new ATOM 0 HD21 LEU D 36 4.134 -0.232 12.203 1.00 0.00 H new ATOM 0 HD22 LEU D 36 3.485 1.414 12.009 1.00 0.00 H new ATOM 0 HD23 LEU D 36 2.938 0.108 10.930 1.00 0.00 H new ATOM 1774 N HIS D 37 4.916 0.532 6.772 1.00 0.00 N ATOM 1775 CA HIS D 37 5.123 -0.663 5.969 1.00 0.00 C ATOM 1776 C HIS D 37 6.390 -0.526 5.139 1.00 0.00 C ATOM 1777 O HIS D 37 7.149 -1.483 4.983 1.00 0.00 O ATOM 1778 CB HIS D 37 3.929 -0.899 5.042 1.00 0.00 C ATOM 1779 CG HIS D 37 4.170 -2.150 4.245 1.00 0.00 C ATOM 1780 ND1 HIS D 37 3.363 -3.271 4.357 1.00 0.00 N ATOM 1781 CD2 HIS D 37 5.139 -2.482 3.334 1.00 0.00 C ATOM 1782 CE1 HIS D 37 3.862 -4.211 3.533 1.00 0.00 C ATOM 1783 NE2 HIS D 37 4.943 -3.781 2.886 1.00 0.00 N ATOM 0 H HIS D 37 4.044 1.028 6.584 1.00 0.00 H new ATOM 0 HA HIS D 37 5.224 -1.514 6.643 1.00 0.00 H new ATOM 0 HB2 HIS D 37 3.013 -0.994 5.625 1.00 0.00 H new ATOM 0 HB3 HIS D 37 3.796 -0.047 4.375 1.00 0.00 H new ATOM 0 HD2 HIS D 37 5.937 -1.829 3.012 1.00 0.00 H new ATOM 0 HE1 HIS D 37 3.436 -5.196 3.411 1.00 0.00 H new ATOM 0 HE2 HIS D 37 5.505 -4.295 2.208 1.00 0.00 H new ATOM 1791 N LEU D 38 6.609 0.667 4.595 1.00 0.00 N ATOM 1792 CA LEU D 38 7.782 0.909 3.764 1.00 0.00 C ATOM 1793 C LEU D 38 9.069 0.675 4.547 1.00 0.00 C ATOM 1794 O LEU D 38 10.024 0.134 4.004 1.00 0.00 O ATOM 1795 CB LEU D 38 7.759 2.352 3.211 1.00 0.00 C ATOM 1796 CG LEU D 38 6.988 2.414 1.877 1.00 0.00 C ATOM 1797 CD1 LEU D 38 6.600 3.869 1.572 1.00 0.00 C ATOM 1798 CD2 LEU D 38 7.868 1.873 0.731 1.00 0.00 C ATOM 0 H LEU D 38 5.996 1.474 4.713 1.00 0.00 H new ATOM 0 HA LEU D 38 7.754 0.205 2.932 1.00 0.00 H new ATOM 0 HB2 LEU D 38 7.292 3.017 3.937 1.00 0.00 H new ATOM 0 HB3 LEU D 38 8.779 2.706 3.064 1.00 0.00 H new ATOM 0 HG LEU D 38 6.089 1.803 1.961 1.00 0.00 H new ATOM 0 HD11 LEU D 38 6.055 3.910 0.629 1.00 0.00 H new ATOM 0 HD12 LEU D 38 5.968 4.253 2.373 1.00 0.00 H new ATOM 0 HD13 LEU D 38 7.501 4.478 1.497 1.00 0.00 H new ATOM 0 HD21 LEU D 38 7.314 1.921 -0.207 1.00 0.00 H new ATOM 0 HD22 LEU D 38 8.772 2.477 0.650 1.00 0.00 H new ATOM 0 HD23 LEU D 38 8.140 0.838 0.939 1.00 0.00 H new ATOM 1810 N ILE D 39 9.101 1.093 5.803 1.00 0.00 N ATOM 1811 CA ILE D 39 10.304 0.918 6.605 1.00 0.00 C ATOM 1812 C ILE D 39 10.614 -0.571 6.769 1.00 0.00 C ATOM 1813 O ILE D 39 11.760 -0.997 6.623 1.00 0.00 O ATOM 1814 CB ILE D 39 10.102 1.560 7.977 1.00 0.00 C ATOM 1815 CG1 ILE D 39 9.958 3.074 7.803 1.00 0.00 C ATOM 1816 CG2 ILE D 39 11.317 1.271 8.861 1.00 0.00 C ATOM 1817 CD1 ILE D 39 9.460 3.699 9.107 1.00 0.00 C ATOM 0 H ILE D 39 8.324 1.548 6.283 1.00 0.00 H new ATOM 0 HA ILE D 39 11.142 1.399 6.101 1.00 0.00 H new ATOM 0 HB ILE D 39 9.206 1.151 8.444 1.00 0.00 H new ATOM 0 HG12 ILE D 39 10.917 3.510 7.523 1.00 0.00 H new ATOM 0 HG13 ILE D 39 9.260 3.292 6.995 1.00 0.00 H new ATOM 0 HG21 ILE D 39 11.172 1.729 9.839 1.00 0.00 H new ATOM 0 HG22 ILE D 39 11.433 0.194 8.978 1.00 0.00 H new ATOM 0 HG23 ILE D 39 12.212 1.684 8.396 1.00 0.00 H new ATOM 0 HD11 ILE D 39 9.359 4.777 8.979 1.00 0.00 H new ATOM 0 HD12 ILE D 39 8.492 3.272 9.368 1.00 0.00 H new ATOM 0 HD13 ILE D 39 10.174 3.494 9.905 1.00 0.00 H new ATOM 1829 N LEU D 40 9.586 -1.360 7.067 1.00 0.00 N ATOM 1830 CA LEU D 40 9.771 -2.800 7.232 1.00 0.00 C ATOM 1831 C LEU D 40 10.068 -3.478 5.891 1.00 0.00 C ATOM 1832 O LEU D 40 10.940 -4.342 5.803 1.00 0.00 O ATOM 1833 CB LEU D 40 8.516 -3.418 7.873 1.00 0.00 C ATOM 1834 CG LEU D 40 8.563 -3.248 9.405 1.00 0.00 C ATOM 1835 CD1 LEU D 40 9.666 -4.145 10.017 1.00 0.00 C ATOM 1836 CD2 LEU D 40 8.840 -1.775 9.750 1.00 0.00 C ATOM 0 H LEU D 40 8.629 -1.034 7.198 1.00 0.00 H new ATOM 0 HA LEU D 40 10.627 -2.962 7.887 1.00 0.00 H new ATOM 0 HB2 LEU D 40 7.622 -2.940 7.474 1.00 0.00 H new ATOM 0 HB3 LEU D 40 8.452 -4.476 7.619 1.00 0.00 H new ATOM 0 HG LEU D 40 7.601 -3.547 9.822 1.00 0.00 H new ATOM 0 HD11 LEU D 40 9.685 -4.012 11.099 1.00 0.00 H new ATOM 0 HD12 LEU D 40 9.457 -5.189 9.783 1.00 0.00 H new ATOM 0 HD13 LEU D 40 10.634 -3.867 9.601 1.00 0.00 H new ATOM 0 HD21 LEU D 40 8.873 -1.655 10.833 1.00 0.00 H new ATOM 0 HD22 LEU D 40 9.797 -1.475 9.322 1.00 0.00 H new ATOM 0 HD23 LEU D 40 8.047 -1.150 9.340 1.00 0.00 H new ATOM 1848 N TRP D 41 9.325 -3.092 4.854 1.00 0.00 N ATOM 1849 CA TRP D 41 9.509 -3.684 3.530 1.00 0.00 C ATOM 1850 C TRP D 41 10.842 -3.272 2.905 1.00 0.00 C ATOM 1851 O TRP D 41 11.575 -4.115 2.381 1.00 0.00 O ATOM 1852 CB TRP D 41 8.335 -3.288 2.620 1.00 0.00 C ATOM 1853 CG TRP D 41 8.607 -3.708 1.208 1.00 0.00 C ATOM 1854 CD1 TRP D 41 8.380 -4.945 0.706 1.00 0.00 C ATOM 1855 CD2 TRP D 41 9.093 -2.900 0.101 1.00 0.00 C ATOM 1856 NE1 TRP D 41 8.744 -4.956 -0.628 1.00 0.00 N ATOM 1857 CE2 TRP D 41 9.179 -3.716 -1.047 1.00 0.00 C ATOM 1858 CE3 TRP D 41 9.475 -1.551 -0.014 1.00 0.00 C ATOM 1859 CZ2 TRP D 41 9.627 -3.214 -2.263 1.00 0.00 C ATOM 1860 CZ3 TRP D 41 9.916 -1.043 -1.247 1.00 0.00 C ATOM 1861 CH2 TRP D 41 9.993 -1.874 -2.366 1.00 0.00 C ATOM 0 H TRP D 41 8.597 -2.379 4.904 1.00 0.00 H new ATOM 0 HA TRP D 41 9.530 -4.768 3.641 1.00 0.00 H new ATOM 0 HB2 TRP D 41 7.417 -3.756 2.975 1.00 0.00 H new ATOM 0 HB3 TRP D 41 8.181 -2.210 2.663 1.00 0.00 H new ATOM 0 HD1 TRP D 41 7.981 -5.784 1.256 1.00 0.00 H new ATOM 0 HE1 TRP D 41 8.697 -5.779 -1.228 1.00 0.00 H new ATOM 0 HE3 TRP D 41 9.429 -0.903 0.849 1.00 0.00 H new ATOM 0 HZ2 TRP D 41 9.691 -3.861 -3.125 1.00 0.00 H new ATOM 0 HZ3 TRP D 41 10.197 -0.004 -1.330 1.00 0.00 H new ATOM 0 HH2 TRP D 41 10.336 -1.478 -3.311 1.00 0.00 H new ATOM 1872 N ILE D 42 11.151 -1.984 2.957 1.00 0.00 N ATOM 1873 CA ILE D 42 12.399 -1.493 2.383 1.00 0.00 C ATOM 1874 C ILE D 42 13.595 -2.068 3.143 1.00 0.00 C ATOM 1875 O ILE D 42 14.598 -2.452 2.545 1.00 0.00 O ATOM 1876 CB ILE D 42 12.430 0.046 2.424 1.00 0.00 C ATOM 1877 CG1 ILE D 42 13.505 0.569 1.465 1.00 0.00 C ATOM 1878 CG2 ILE D 42 12.748 0.537 3.846 1.00 0.00 C ATOM 1879 CD1 ILE D 42 13.396 2.091 1.369 1.00 0.00 C ATOM 0 H ILE D 42 10.565 -1.267 3.384 1.00 0.00 H new ATOM 0 HA ILE D 42 12.459 -1.818 1.344 1.00 0.00 H new ATOM 0 HB ILE D 42 11.451 0.420 2.124 1.00 0.00 H new ATOM 0 HG12 ILE D 42 14.496 0.285 1.820 1.00 0.00 H new ATOM 0 HG13 ILE D 42 13.379 0.121 0.479 1.00 0.00 H new ATOM 0 HG21 ILE D 42 12.766 1.627 3.859 1.00 0.00 H new ATOM 0 HG22 ILE D 42 11.982 0.179 4.534 1.00 0.00 H new ATOM 0 HG23 ILE D 42 13.721 0.154 4.154 1.00 0.00 H new ATOM 0 HD11 ILE D 42 14.159 2.468 0.688 1.00 0.00 H new ATOM 0 HD12 ILE D 42 12.409 2.362 0.995 1.00 0.00 H new ATOM 0 HD13 ILE D 42 13.542 2.529 2.356 1.00 0.00 H new ATOM 1891 N LEU D 43 13.474 -2.126 4.467 1.00 0.00 N ATOM 1892 CA LEU D 43 14.544 -2.656 5.302 1.00 0.00 C ATOM 1893 C LEU D 43 14.799 -4.122 4.978 1.00 0.00 C ATOM 1894 O LEU D 43 15.946 -4.566 4.928 1.00 0.00 O ATOM 1895 CB LEU D 43 14.174 -2.509 6.786 1.00 0.00 C ATOM 1896 CG LEU D 43 15.265 -3.125 7.678 1.00 0.00 C ATOM 1897 CD1 LEU D 43 16.628 -2.487 7.376 1.00 0.00 C ATOM 1898 CD2 LEU D 43 14.901 -2.882 9.145 1.00 0.00 C ATOM 0 H LEU D 43 12.650 -1.814 4.981 1.00 0.00 H new ATOM 0 HA LEU D 43 15.453 -2.090 5.099 1.00 0.00 H new ATOM 0 HB2 LEU D 43 14.047 -1.455 7.032 1.00 0.00 H new ATOM 0 HB3 LEU D 43 13.219 -2.998 6.979 1.00 0.00 H new ATOM 0 HG LEU D 43 15.330 -4.195 7.479 1.00 0.00 H new ATOM 0 HD11 LEU D 43 17.389 -2.934 8.016 1.00 0.00 H new ATOM 0 HD12 LEU D 43 16.886 -2.658 6.331 1.00 0.00 H new ATOM 0 HD13 LEU D 43 16.578 -1.415 7.567 1.00 0.00 H new ATOM 0 HD21 LEU D 43 15.668 -3.315 9.787 1.00 0.00 H new ATOM 0 HD22 LEU D 43 14.835 -1.810 9.331 1.00 0.00 H new ATOM 0 HD23 LEU D 43 13.940 -3.348 9.363 1.00 0.00 H new ATOM 1910 N ASP D 44 13.722 -4.872 4.767 1.00 0.00 N ATOM 1911 CA ASP D 44 13.846 -6.290 4.461 1.00 0.00 C ATOM 1912 C ASP D 44 14.720 -6.492 3.229 1.00 0.00 C ATOM 1913 O ASP D 44 15.606 -7.347 3.219 1.00 0.00 O ATOM 1914 CB ASP D 44 12.465 -6.897 4.208 1.00 0.00 C ATOM 1915 CG ASP D 44 12.593 -8.395 3.966 1.00 0.00 C ATOM 1916 OD1 ASP D 44 13.715 -8.867 3.881 1.00 0.00 O ATOM 1917 OD2 ASP D 44 11.568 -9.051 3.871 1.00 0.00 O ATOM 0 H ASP D 44 12.764 -4.525 4.802 1.00 0.00 H new ATOM 0 HA ASP D 44 14.309 -6.786 5.314 1.00 0.00 H new ATOM 0 HB2 ASP D 44 11.815 -6.712 5.063 1.00 0.00 H new ATOM 0 HB3 ASP D 44 12.001 -6.419 3.345 1.00 0.00 H new