USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 595 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 10 TYR OH : rot 30:sc= -0.832 USER MOD Single : A 13 HIS : no HD1:sc= 1 K(o=1,f=-5.5!) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=-6e-05) USER MOD Single : A 15 GLN : amide:sc= -0.391 K(o=-0.39,f=-1.5) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl -163:sc= -0.132 (180deg=-0.574) USER MOD Single : B 35 MET CE :methyl -158:sc= -0.147 (180deg=-0.723) USER MOD Single : C 10 TYR OH : rot 30:sc= -0.875 USER MOD Single : C 13 HIS : no HD1:sc= 0.846 K(o=0.85,f=-5.4!) USER MOD Single : C 14 HIS : no HD1:sc= 0 X(o=0,f=-0.0096) USER MOD Single : C 15 GLN : amide:sc= -0.405 K(o=-0.41,f=-1.6) USER MOD Single : C 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 35 MET CE :methyl -162:sc= -0.0954 (180deg=-0.555) USER MOD Single : D 35 MET CE :methyl -158:sc= -0.143 (180deg=-0.622) USER MOD ----------------------------------------------------------------- ATOM 132 N TYR A 10 22.074 6.386 -6.643 1.00 0.00 N ATOM 133 CA TYR A 10 20.775 6.347 -5.989 1.00 0.00 C ATOM 134 C TYR A 10 19.665 6.575 -7.011 1.00 0.00 C ATOM 135 O TYR A 10 19.865 7.274 -8.005 1.00 0.00 O ATOM 136 CB TYR A 10 20.730 7.430 -4.899 1.00 0.00 C ATOM 137 CG TYR A 10 19.464 7.454 -4.070 1.00 0.00 C ATOM 138 CD1 TYR A 10 18.424 8.325 -4.372 1.00 0.00 C ATOM 139 CD2 TYR A 10 19.316 6.616 -2.974 1.00 0.00 C ATOM 140 CE1 TYR A 10 17.275 8.358 -3.606 1.00 0.00 C ATOM 141 CE2 TYR A 10 18.168 6.641 -2.206 1.00 0.00 C ATOM 142 CZ TYR A 10 17.151 7.513 -2.527 1.00 0.00 C ATOM 143 OH TYR A 10 16.009 7.546 -1.761 1.00 0.00 O ATOM 0 HA TYR A 10 20.624 5.368 -5.533 1.00 0.00 H new ATOM 0 HB2 TYR A 10 21.580 7.288 -4.232 1.00 0.00 H new ATOM 0 HB3 TYR A 10 20.855 8.404 -5.371 1.00 0.00 H new ATOM 0 HD1 TYR A 10 18.516 8.987 -5.220 1.00 0.00 H new ATOM 0 HD2 TYR A 10 20.112 5.933 -2.717 1.00 0.00 H new ATOM 0 HE1 TYR A 10 16.478 9.044 -3.853 1.00 0.00 H new ATOM 0 HE2 TYR A 10 18.068 5.980 -1.358 1.00 0.00 H new ATOM 0 HH TYR A 10 15.248 7.812 -2.319 1.00 0.00 H new ATOM 153 N GLU A 11 18.499 5.997 -6.753 1.00 0.00 N ATOM 154 CA GLU A 11 17.338 6.177 -7.616 1.00 0.00 C ATOM 155 C GLU A 11 16.062 6.261 -6.794 1.00 0.00 C ATOM 156 O GLU A 11 15.960 5.666 -5.717 1.00 0.00 O ATOM 157 CB GLU A 11 17.205 5.031 -8.621 1.00 0.00 C ATOM 158 CG GLU A 11 18.129 5.141 -9.819 1.00 0.00 C ATOM 159 CD GLU A 11 17.888 4.034 -10.821 1.00 0.00 C ATOM 160 OE1 GLU A 11 18.792 3.197 -11.017 1.00 0.00 O ATOM 161 OE2 GLU A 11 16.779 3.988 -11.398 1.00 0.00 O ATOM 0 H GLU A 11 18.331 5.395 -5.947 1.00 0.00 H new ATOM 0 HA GLU A 11 17.486 7.110 -8.159 1.00 0.00 H new ATOM 0 HB2 GLU A 11 17.404 4.089 -8.109 1.00 0.00 H new ATOM 0 HB3 GLU A 11 16.175 4.991 -8.974 1.00 0.00 H new ATOM 0 HG2 GLU A 11 17.983 6.107 -10.303 1.00 0.00 H new ATOM 0 HG3 GLU A 11 19.165 5.107 -9.483 1.00 0.00 H new ATOM 168 N VAL A 12 15.095 6.997 -7.315 1.00 0.00 N ATOM 169 CA VAL A 12 13.784 7.098 -6.698 1.00 0.00 C ATOM 170 C VAL A 12 12.755 6.416 -7.587 1.00 0.00 C ATOM 171 O VAL A 12 12.497 6.860 -8.705 1.00 0.00 O ATOM 172 CB VAL A 12 13.370 8.570 -6.480 1.00 0.00 C ATOM 173 CG1 VAL A 12 11.978 8.656 -5.871 1.00 0.00 C ATOM 174 CG2 VAL A 12 14.381 9.292 -5.602 1.00 0.00 C ATOM 0 H VAL A 12 15.196 7.539 -8.173 1.00 0.00 H new ATOM 0 HA VAL A 12 13.831 6.610 -5.724 1.00 0.00 H new ATOM 0 HB VAL A 12 13.349 9.061 -7.453 1.00 0.00 H new ATOM 0 HG11 VAL A 12 11.708 9.702 -5.727 1.00 0.00 H new ATOM 0 HG12 VAL A 12 11.258 8.185 -6.540 1.00 0.00 H new ATOM 0 HG13 VAL A 12 11.969 8.143 -4.909 1.00 0.00 H new ATOM 0 HG21 VAL A 12 14.068 10.327 -5.463 1.00 0.00 H new ATOM 0 HG22 VAL A 12 14.440 8.797 -4.633 1.00 0.00 H new ATOM 0 HG23 VAL A 12 15.360 9.270 -6.081 1.00 0.00 H new ATOM 184 N HIS A 13 12.179 5.328 -7.104 1.00 0.00 N ATOM 185 CA HIS A 13 11.189 4.595 -7.878 1.00 0.00 C ATOM 186 C HIS A 13 9.841 4.637 -7.175 1.00 0.00 C ATOM 187 O HIS A 13 9.762 4.443 -5.964 1.00 0.00 O ATOM 188 CB HIS A 13 11.620 3.136 -8.091 1.00 0.00 C ATOM 189 CG HIS A 13 12.810 2.960 -8.994 1.00 0.00 C ATOM 190 ND1 HIS A 13 13.396 1.734 -9.230 1.00 0.00 N ATOM 191 CD2 HIS A 13 13.526 3.856 -9.718 1.00 0.00 C ATOM 192 CE1 HIS A 13 14.415 1.885 -10.054 1.00 0.00 C ATOM 193 NE2 HIS A 13 14.519 3.160 -10.366 1.00 0.00 N ATOM 0 H HIS A 13 12.378 4.934 -6.185 1.00 0.00 H new ATOM 0 HA HIS A 13 11.104 5.072 -8.854 1.00 0.00 H new ATOM 0 HB2 HIS A 13 11.848 2.693 -7.121 1.00 0.00 H new ATOM 0 HB3 HIS A 13 10.780 2.580 -8.506 1.00 0.00 H new ATOM 0 HD2 HIS A 13 13.349 4.920 -9.775 1.00 0.00 H new ATOM 0 HE1 HIS A 13 15.057 1.094 -10.413 1.00 0.00 H new ATOM 0 HE2 HIS A 13 15.221 3.565 -10.986 1.00 0.00 H new ATOM 202 N HIS A 14 8.786 4.896 -7.931 1.00 0.00 N ATOM 203 CA HIS A 14 7.444 4.952 -7.369 1.00 0.00 C ATOM 204 C HIS A 14 6.397 4.800 -8.464 1.00 0.00 C ATOM 205 O HIS A 14 6.504 5.401 -9.534 1.00 0.00 O ATOM 206 CB HIS A 14 7.222 6.259 -6.589 1.00 0.00 C ATOM 207 CG HIS A 14 7.312 7.507 -7.421 1.00 0.00 C ATOM 208 ND1 HIS A 14 6.209 8.245 -7.791 1.00 0.00 N ATOM 209 CD2 HIS A 14 8.383 8.151 -7.944 1.00 0.00 C ATOM 210 CE1 HIS A 14 6.594 9.284 -8.504 1.00 0.00 C ATOM 211 NE2 HIS A 14 7.907 9.251 -8.612 1.00 0.00 N ATOM 0 H HIS A 14 8.832 5.071 -8.935 1.00 0.00 H new ATOM 0 HA HIS A 14 7.339 4.122 -6.671 1.00 0.00 H new ATOM 0 HB2 HIS A 14 6.240 6.223 -6.117 1.00 0.00 H new ATOM 0 HB3 HIS A 14 7.959 6.318 -5.788 1.00 0.00 H new ATOM 0 HD2 HIS A 14 9.417 7.854 -7.852 1.00 0.00 H new ATOM 0 HE1 HIS A 14 5.944 10.035 -8.928 1.00 0.00 H new ATOM 0 HE2 HIS A 14 8.477 9.933 -9.112 1.00 0.00 H new ATOM 220 N GLN A 15 5.388 3.991 -8.183 1.00 0.00 N ATOM 221 CA GLN A 15 4.309 3.734 -9.123 1.00 0.00 C ATOM 222 C GLN A 15 2.967 4.025 -8.462 1.00 0.00 C ATOM 223 O GLN A 15 2.796 3.794 -7.264 1.00 0.00 O ATOM 224 CB GLN A 15 4.339 2.277 -9.612 1.00 0.00 C ATOM 225 CG GLN A 15 5.478 1.955 -10.573 1.00 0.00 C ATOM 226 CD GLN A 15 6.838 1.872 -9.904 1.00 0.00 C ATOM 227 OE1 GLN A 15 6.955 1.490 -8.738 1.00 0.00 O ATOM 228 NE2 GLN A 15 7.876 2.236 -10.640 1.00 0.00 N ATOM 0 H GLN A 15 5.294 3.494 -7.297 1.00 0.00 H new ATOM 0 HA GLN A 15 4.443 4.389 -9.984 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.414 1.618 -8.747 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.392 2.052 -10.103 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.268 1.006 -11.066 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.512 2.718 -11.351 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.736 2.546 -11.602 1.00 0.00 H new ATOM 0 HE22 GLN A 15 8.816 2.206 -10.246 1.00 0.00 H new ATOM 237 N LYS A 16 2.022 4.532 -9.237 1.00 0.00 N ATOM 238 CA LYS A 16 0.712 4.886 -8.708 1.00 0.00 C ATOM 239 C LYS A 16 -0.376 4.656 -9.753 1.00 0.00 C ATOM 240 O LYS A 16 -0.232 5.042 -10.913 1.00 0.00 O ATOM 241 CB LYS A 16 0.705 6.347 -8.237 1.00 0.00 C ATOM 242 CG LYS A 16 1.135 7.341 -9.304 1.00 0.00 C ATOM 243 CD LYS A 16 1.116 8.767 -8.784 1.00 0.00 C ATOM 244 CE LYS A 16 1.520 9.750 -9.867 1.00 0.00 C ATOM 245 NZ LYS A 16 1.480 11.157 -9.392 1.00 0.00 N ATOM 0 H LYS A 16 2.136 4.708 -10.235 1.00 0.00 H new ATOM 0 HA LYS A 16 0.502 4.243 -7.853 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.299 6.604 -7.898 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.367 6.444 -7.376 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.139 7.093 -9.649 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.472 7.259 -10.166 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.118 9.011 -8.421 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.795 8.857 -7.936 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.526 9.514 -10.213 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.855 9.638 -10.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.763 11.793 -10.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.514 11.393 -9.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.134 11.272 -8.592 1.00 0.00 H new ATOM 259 N LEU A 17 -1.452 4.008 -9.336 1.00 0.00 N ATOM 260 CA LEU A 17 -2.572 3.716 -10.216 1.00 0.00 C ATOM 261 C LEU A 17 -3.886 3.823 -9.453 1.00 0.00 C ATOM 262 O LEU A 17 -4.096 3.127 -8.461 1.00 0.00 O ATOM 263 CB LEU A 17 -2.425 2.307 -10.802 1.00 0.00 C ATOM 264 CG LEU A 17 -3.594 1.823 -11.664 1.00 0.00 C ATOM 265 CD1 LEU A 17 -3.737 2.680 -12.911 1.00 0.00 C ATOM 266 CD2 LEU A 17 -3.404 0.364 -12.037 1.00 0.00 C ATOM 0 H LEU A 17 -1.573 3.671 -8.381 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.576 4.443 -11.028 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.516 2.276 -11.403 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.287 1.604 -9.980 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.511 1.917 -11.083 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -4.574 2.317 -13.508 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.919 3.715 -12.622 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.821 2.623 -13.499 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.242 0.033 -12.650 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.477 0.250 -12.598 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.356 -0.240 -11.131 1.00 0.00 H new ATOM 278 N VAL A 18 -4.761 4.704 -9.908 1.00 0.00 N ATOM 279 CA VAL A 18 -6.077 4.852 -9.311 1.00 0.00 C ATOM 280 C VAL A 18 -7.146 4.504 -10.337 1.00 0.00 C ATOM 281 O VAL A 18 -7.139 5.032 -11.448 1.00 0.00 O ATOM 282 CB VAL A 18 -6.311 6.289 -8.793 1.00 0.00 C ATOM 283 CG1 VAL A 18 -7.667 6.406 -8.110 1.00 0.00 C ATOM 284 CG2 VAL A 18 -5.198 6.709 -7.848 1.00 0.00 C ATOM 0 H VAL A 18 -4.582 5.330 -10.693 1.00 0.00 H new ATOM 0 HA VAL A 18 -6.136 4.172 -8.461 1.00 0.00 H new ATOM 0 HB VAL A 18 -6.303 6.962 -9.651 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -7.808 7.427 -7.754 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -8.455 6.157 -8.821 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -7.710 5.718 -7.266 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -5.383 7.724 -7.496 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.168 6.029 -6.997 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.243 6.676 -8.373 1.00 0.00 H new ATOM 294 N PHE A 19 -8.055 3.613 -9.969 1.00 0.00 N ATOM 295 CA PHE A 19 -9.098 3.173 -10.882 1.00 0.00 C ATOM 296 C PHE A 19 -10.446 3.113 -10.171 1.00 0.00 C ATOM 297 O PHE A 19 -10.537 2.699 -9.013 1.00 0.00 O ATOM 298 CB PHE A 19 -8.741 1.804 -11.473 1.00 0.00 C ATOM 299 CG PHE A 19 -9.774 1.258 -12.422 1.00 0.00 C ATOM 300 CD1 PHE A 19 -9.937 1.814 -13.680 1.00 0.00 C ATOM 301 CD2 PHE A 19 -10.577 0.189 -12.056 1.00 0.00 C ATOM 302 CE1 PHE A 19 -10.882 1.316 -14.555 1.00 0.00 C ATOM 303 CE2 PHE A 19 -11.525 -0.313 -12.929 1.00 0.00 C ATOM 304 CZ PHE A 19 -11.678 0.251 -14.179 1.00 0.00 C ATOM 0 H PHE A 19 -8.091 3.181 -9.046 1.00 0.00 H new ATOM 0 HA PHE A 19 -9.174 3.895 -11.695 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -7.788 1.883 -11.996 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -8.600 1.094 -10.658 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.318 2.647 -13.980 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -10.461 -0.256 -11.079 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -10.999 1.759 -15.533 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -12.145 -1.146 -12.633 1.00 0.00 H new ATOM 0 HZ PHE A 19 -12.418 -0.139 -14.862 1.00 0.00 H new ATOM 314 N PHE A 20 -11.483 3.544 -10.865 1.00 0.00 N ATOM 315 CA PHE A 20 -12.832 3.498 -10.337 1.00 0.00 C ATOM 316 C PHE A 20 -13.642 2.465 -11.102 1.00 0.00 C ATOM 317 O PHE A 20 -13.633 2.450 -12.332 1.00 0.00 O ATOM 318 CB PHE A 20 -13.497 4.872 -10.450 1.00 0.00 C ATOM 319 CG PHE A 20 -12.744 5.970 -9.755 1.00 0.00 C ATOM 320 CD1 PHE A 20 -12.806 6.106 -8.380 1.00 0.00 C ATOM 321 CD2 PHE A 20 -11.977 6.868 -10.480 1.00 0.00 C ATOM 322 CE1 PHE A 20 -12.118 7.119 -7.738 1.00 0.00 C ATOM 323 CE2 PHE A 20 -11.287 7.882 -9.846 1.00 0.00 C ATOM 324 CZ PHE A 20 -11.357 8.007 -8.472 1.00 0.00 C ATOM 0 H PHE A 20 -11.414 3.934 -11.805 1.00 0.00 H new ATOM 0 HA PHE A 20 -12.791 3.219 -9.284 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -13.603 5.128 -11.504 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -14.503 4.814 -10.033 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -13.399 5.413 -7.801 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -11.918 6.774 -11.554 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -12.176 7.216 -6.664 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -10.694 8.576 -10.423 1.00 0.00 H new ATOM 0 HZ PHE A 20 -10.817 8.798 -7.973 1.00 0.00 H new ATOM 334 N ALA A 21 -14.327 1.598 -10.379 1.00 0.00 N ATOM 335 CA ALA A 21 -15.119 0.555 -11.004 1.00 0.00 C ATOM 336 C ALA A 21 -16.576 0.662 -10.584 1.00 0.00 C ATOM 337 O ALA A 21 -16.891 0.731 -9.395 1.00 0.00 O ATOM 338 CB ALA A 21 -14.562 -0.812 -10.654 1.00 0.00 C ATOM 0 H ALA A 21 -14.351 1.595 -9.359 1.00 0.00 H new ATOM 0 HA ALA A 21 -15.066 0.684 -12.085 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -15.167 -1.584 -11.130 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -13.534 -0.887 -11.007 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -14.585 -0.948 -9.573 1.00 0.00 H new ATOM 441 N GLY A 29 -20.389 -0.347 -5.833 1.00 0.00 N ATOM 442 CA GLY A 29 -19.357 0.412 -6.504 1.00 0.00 C ATOM 443 C GLY A 29 -18.002 0.142 -5.887 1.00 0.00 C ATOM 444 O GLY A 29 -17.879 0.087 -4.664 1.00 0.00 O ATOM 0 HA2 GLY A 29 -19.338 0.151 -7.562 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -19.584 1.476 -6.442 1.00 0.00 H new ATOM 448 N ALA A 30 -16.982 -0.032 -6.714 1.00 0.00 N ATOM 449 CA ALA A 30 -15.668 -0.391 -6.209 1.00 0.00 C ATOM 450 C ALA A 30 -14.633 0.683 -6.514 1.00 0.00 C ATOM 451 O ALA A 30 -14.495 1.134 -7.649 1.00 0.00 O ATOM 452 CB ALA A 30 -15.229 -1.731 -6.783 1.00 0.00 C ATOM 0 H ALA A 30 -17.038 0.069 -7.727 1.00 0.00 H new ATOM 0 HA ALA A 30 -15.743 -0.476 -5.125 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -14.243 -1.987 -6.396 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -15.943 -2.502 -6.495 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -15.186 -1.665 -7.870 1.00 0.00 H new ATOM 458 N ILE A 31 -13.911 1.081 -5.483 1.00 0.00 N ATOM 459 CA ILE A 31 -12.836 2.052 -5.617 1.00 0.00 C ATOM 460 C ILE A 31 -11.509 1.365 -5.318 1.00 0.00 C ATOM 461 O ILE A 31 -11.344 0.795 -4.243 1.00 0.00 O ATOM 462 CB ILE A 31 -13.015 3.233 -4.633 1.00 0.00 C ATOM 463 CG1 ILE A 31 -14.477 3.708 -4.596 1.00 0.00 C ATOM 464 CG2 ILE A 31 -12.083 4.381 -5.004 1.00 0.00 C ATOM 465 CD1 ILE A 31 -14.993 4.248 -5.914 1.00 0.00 C ATOM 0 H ILE A 31 -14.051 0.743 -4.531 1.00 0.00 H new ATOM 0 HA ILE A 31 -12.854 2.443 -6.634 1.00 0.00 H new ATOM 0 HB ILE A 31 -12.754 2.884 -3.634 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -15.109 2.876 -4.286 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -14.575 4.483 -3.836 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -12.221 5.203 -4.302 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -11.049 4.038 -4.962 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -12.311 4.723 -6.013 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -16.031 4.560 -5.798 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -14.389 5.103 -6.219 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -14.931 3.470 -6.675 1.00 0.00 H new ATOM 477 N ILE A 32 -10.575 1.396 -6.256 1.00 0.00 N ATOM 478 CA ILE A 32 -9.299 0.722 -6.054 1.00 0.00 C ATOM 479 C ILE A 32 -8.123 1.649 -6.351 1.00 0.00 C ATOM 480 O ILE A 32 -8.080 2.322 -7.383 1.00 0.00 O ATOM 481 CB ILE A 32 -9.194 -0.573 -6.900 1.00 0.00 C ATOM 482 CG1 ILE A 32 -7.817 -1.225 -6.725 1.00 0.00 C ATOM 483 CG2 ILE A 32 -9.475 -0.293 -8.369 1.00 0.00 C ATOM 484 CD1 ILE A 32 -7.687 -2.564 -7.420 1.00 0.00 C ATOM 0 H ILE A 32 -10.672 1.873 -7.152 1.00 0.00 H new ATOM 0 HA ILE A 32 -9.254 0.441 -5.002 1.00 0.00 H new ATOM 0 HB ILE A 32 -9.951 -1.270 -6.541 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -7.053 -0.550 -7.110 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -7.619 -1.357 -5.661 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -9.394 -1.219 -8.938 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -10.481 0.112 -8.476 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -8.751 0.429 -8.747 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -6.687 -2.965 -7.253 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -8.427 -3.256 -7.018 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -7.852 -2.436 -8.490 1.00 0.00 H new ATOM 496 N GLY A 33 -7.184 1.693 -5.420 1.00 0.00 N ATOM 497 CA GLY A 33 -5.994 2.495 -5.590 1.00 0.00 C ATOM 498 C GLY A 33 -4.745 1.703 -5.273 1.00 0.00 C ATOM 499 O GLY A 33 -4.660 1.062 -4.224 1.00 0.00 O ATOM 0 H GLY A 33 -7.227 1.180 -4.539 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -5.944 2.862 -6.615 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -6.047 3.369 -4.941 1.00 0.00 H new ATOM 503 N LEU A 34 -3.784 1.729 -6.181 1.00 0.00 N ATOM 504 CA LEU A 34 -2.552 0.976 -6.014 1.00 0.00 C ATOM 505 C LEU A 34 -1.355 1.916 -6.027 1.00 0.00 C ATOM 506 O LEU A 34 -1.199 2.724 -6.941 1.00 0.00 O ATOM 507 CB LEU A 34 -2.407 -0.063 -7.130 1.00 0.00 C ATOM 508 CG LEU A 34 -3.572 -1.049 -7.272 1.00 0.00 C ATOM 509 CD1 LEU A 34 -3.347 -1.964 -8.465 1.00 0.00 C ATOM 510 CD2 LEU A 34 -3.746 -1.870 -6.001 1.00 0.00 C ATOM 0 H LEU A 34 -3.834 2.267 -7.046 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.590 0.461 -5.054 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.281 0.462 -8.077 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.493 -0.631 -6.957 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.485 -0.477 -7.436 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.182 -2.659 -8.553 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.275 -1.366 -9.374 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.423 -2.524 -8.325 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.579 -2.562 -6.126 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.833 -2.432 -5.803 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.951 -1.204 -5.163 1.00 0.00 H new ATOM 522 N MET A 35 -0.520 1.819 -5.005 1.00 0.00 N ATOM 523 CA MET A 35 0.669 2.652 -4.906 1.00 0.00 C ATOM 524 C MET A 35 1.875 1.823 -4.483 1.00 0.00 C ATOM 525 O MET A 35 1.793 1.020 -3.552 1.00 0.00 O ATOM 526 CB MET A 35 0.456 3.788 -3.901 1.00 0.00 C ATOM 527 CG MET A 35 -0.583 4.813 -4.331 1.00 0.00 C ATOM 528 SD MET A 35 -0.700 6.202 -3.186 1.00 0.00 S ATOM 529 CE MET A 35 -1.180 5.364 -1.676 1.00 0.00 C ATOM 0 H MET A 35 -0.644 1.169 -4.229 1.00 0.00 H new ATOM 0 HA MET A 35 0.856 3.079 -5.891 1.00 0.00 H new ATOM 0 HB2 MET A 35 0.155 3.361 -2.945 1.00 0.00 H new ATOM 0 HB3 MET A 35 1.406 4.297 -3.737 1.00 0.00 H new ATOM 0 HG2 MET A 35 -0.332 5.185 -5.324 1.00 0.00 H new ATOM 0 HG3 MET A 35 -1.556 4.328 -4.409 1.00 0.00 H new ATOM 0 HE1 MET A 35 -1.580 6.090 -0.968 1.00 0.00 H new ATOM 0 HE2 MET A 35 -1.942 4.618 -1.901 1.00 0.00 H new ATOM 0 HE3 MET A 35 -0.310 4.874 -1.239 1.00 0.00 H new ATOM 539 N VAL A 36 2.988 2.014 -5.174 1.00 0.00 N ATOM 540 CA VAL A 36 4.229 1.329 -4.840 1.00 0.00 C ATOM 541 C VAL A 36 5.365 2.337 -4.725 1.00 0.00 C ATOM 542 O VAL A 36 5.530 3.193 -5.590 1.00 0.00 O ATOM 543 CB VAL A 36 4.606 0.266 -5.898 1.00 0.00 C ATOM 544 CG1 VAL A 36 5.884 -0.462 -5.502 1.00 0.00 C ATOM 545 CG2 VAL A 36 3.469 -0.725 -6.101 1.00 0.00 C ATOM 0 H VAL A 36 3.058 2.642 -5.975 1.00 0.00 H new ATOM 0 HA VAL A 36 4.073 0.823 -3.887 1.00 0.00 H new ATOM 0 HB VAL A 36 4.783 0.781 -6.842 1.00 0.00 H new ATOM 0 HG11 VAL A 36 6.130 -1.205 -6.261 1.00 0.00 H new ATOM 0 HG12 VAL A 36 6.700 0.255 -5.419 1.00 0.00 H new ATOM 0 HG13 VAL A 36 5.738 -0.958 -4.543 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.758 -1.462 -6.850 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.254 -1.229 -5.159 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.580 -0.194 -6.440 1.00 0.00 H new ATOM 555 N GLY A 37 6.128 2.244 -3.652 1.00 0.00 N ATOM 556 CA GLY A 37 7.264 3.123 -3.472 1.00 0.00 C ATOM 557 C GLY A 37 8.522 2.346 -3.163 1.00 0.00 C ATOM 558 O GLY A 37 8.490 1.410 -2.362 1.00 0.00 O ATOM 0 H GLY A 37 5.982 1.573 -2.898 1.00 0.00 H new ATOM 0 HA2 GLY A 37 7.414 3.715 -4.375 1.00 0.00 H new ATOM 0 HA3 GLY A 37 7.059 3.823 -2.662 1.00 0.00 H new ATOM 562 N GLY A 38 9.622 2.707 -3.802 1.00 0.00 N ATOM 563 CA GLY A 38 10.857 1.993 -3.582 1.00 0.00 C ATOM 564 C GLY A 38 12.064 2.904 -3.518 1.00 0.00 C ATOM 565 O GLY A 38 12.197 3.838 -4.311 1.00 0.00 O ATOM 0 H GLY A 38 9.681 3.479 -4.466 1.00 0.00 H new ATOM 0 HA2 GLY A 38 10.784 1.430 -2.651 1.00 0.00 H new ATOM 0 HA3 GLY A 38 10.998 1.268 -4.383 1.00 0.00 H new ATOM 569 N VAL A 39 12.945 2.620 -2.574 1.00 0.00 N ATOM 570 CA VAL A 39 14.185 3.361 -2.423 1.00 0.00 C ATOM 571 C VAL A 39 15.344 2.513 -2.924 1.00 0.00 C ATOM 572 O VAL A 39 15.608 1.430 -2.393 1.00 0.00 O ATOM 573 CB VAL A 39 14.433 3.764 -0.951 1.00 0.00 C ATOM 574 CG1 VAL A 39 15.791 4.428 -0.788 1.00 0.00 C ATOM 575 CG2 VAL A 39 13.328 4.685 -0.455 1.00 0.00 C ATOM 0 H VAL A 39 12.821 1.871 -1.892 1.00 0.00 H new ATOM 0 HA VAL A 39 14.107 4.276 -3.011 1.00 0.00 H new ATOM 0 HB VAL A 39 14.425 2.856 -0.348 1.00 0.00 H new ATOM 0 HG11 VAL A 39 15.939 4.701 0.257 1.00 0.00 H new ATOM 0 HG12 VAL A 39 16.574 3.735 -1.097 1.00 0.00 H new ATOM 0 HG13 VAL A 39 15.834 5.324 -1.407 1.00 0.00 H new ATOM 0 HG21 VAL A 39 13.520 4.958 0.583 1.00 0.00 H new ATOM 0 HG22 VAL A 39 13.303 5.586 -1.068 1.00 0.00 H new ATOM 0 HG23 VAL A 39 12.369 4.172 -0.524 1.00 0.00 H new ATOM 585 N VAL A 40 16.017 2.993 -3.958 1.00 0.00 N ATOM 586 CA VAL A 40 17.101 2.244 -4.565 1.00 0.00 C ATOM 587 C VAL A 40 18.448 2.866 -4.229 1.00 0.00 C ATOM 588 O VAL A 40 18.809 3.919 -4.757 1.00 0.00 O ATOM 589 CB VAL A 40 16.939 2.168 -6.099 1.00 0.00 C ATOM 590 CG1 VAL A 40 18.046 1.332 -6.724 1.00 0.00 C ATOM 591 CG2 VAL A 40 15.572 1.607 -6.464 1.00 0.00 C ATOM 0 H VAL A 40 15.831 3.897 -4.392 1.00 0.00 H new ATOM 0 HA VAL A 40 17.063 1.234 -4.157 1.00 0.00 H new ATOM 0 HB VAL A 40 17.015 3.179 -6.498 1.00 0.00 H new ATOM 0 HG11 VAL A 40 17.908 1.295 -7.805 1.00 0.00 H new ATOM 0 HG12 VAL A 40 19.013 1.781 -6.497 1.00 0.00 H new ATOM 0 HG13 VAL A 40 18.011 0.321 -6.319 1.00 0.00 H new ATOM 0 HG21 VAL A 40 15.476 1.561 -7.549 1.00 0.00 H new ATOM 0 HG22 VAL A 40 15.467 0.605 -6.047 1.00 0.00 H new ATOM 0 HG23 VAL A 40 14.793 2.253 -6.058 1.00 0.00 H new ATOM 601 N ILE A 41 19.173 2.215 -3.336 1.00 0.00 N ATOM 602 CA ILE A 41 20.522 2.625 -2.991 1.00 0.00 C ATOM 603 C ILE A 41 21.515 1.649 -3.605 1.00 0.00 C ATOM 604 O ILE A 41 21.666 0.525 -3.123 1.00 0.00 O ATOM 605 CB ILE A 41 20.726 2.667 -1.460 1.00 0.00 C ATOM 606 CG1 ILE A 41 19.685 3.583 -0.808 1.00 0.00 C ATOM 607 CG2 ILE A 41 22.135 3.133 -1.123 1.00 0.00 C ATOM 608 CD1 ILE A 41 19.732 3.581 0.704 1.00 0.00 C ATOM 0 H ILE A 41 18.845 1.391 -2.832 1.00 0.00 H new ATOM 0 HA ILE A 41 20.684 3.629 -3.383 1.00 0.00 H new ATOM 0 HB ILE A 41 20.595 1.660 -1.065 1.00 0.00 H new ATOM 0 HG12 ILE A 41 19.836 4.602 -1.166 1.00 0.00 H new ATOM 0 HG13 ILE A 41 18.691 3.276 -1.132 1.00 0.00 H new ATOM 0 HG21 ILE A 41 22.261 3.157 -0.041 1.00 0.00 H new ATOM 0 HG22 ILE A 41 22.860 2.445 -1.558 1.00 0.00 H new ATOM 0 HG23 ILE A 41 22.295 4.132 -1.529 1.00 0.00 H new ATOM 0 HD11 ILE A 41 18.966 4.252 1.093 1.00 0.00 H new ATOM 0 HD12 ILE A 41 19.550 2.571 1.072 1.00 0.00 H new ATOM 0 HD13 ILE A 41 20.713 3.918 1.038 1.00 0.00 H new ATOM 1079 N ALA B 30 21.299 -0.915 -0.770 1.00 0.00 N ATOM 1080 CA ALA B 30 20.056 -1.358 -0.152 1.00 0.00 C ATOM 1081 C ALA B 30 18.872 -0.991 -1.040 1.00 0.00 C ATOM 1082 O ALA B 30 18.727 0.163 -1.445 1.00 0.00 O ATOM 1083 CB ALA B 30 19.893 -0.738 1.229 1.00 0.00 C ATOM 0 HA ALA B 30 20.091 -2.442 -0.039 1.00 0.00 H new ATOM 0 HB1 ALA B 30 18.959 -1.081 1.674 1.00 0.00 H new ATOM 0 HB2 ALA B 30 20.728 -1.037 1.863 1.00 0.00 H new ATOM 0 HB3 ALA B 30 19.875 0.348 1.140 1.00 0.00 H new ATOM 1089 N ILE B 31 18.036 -1.968 -1.355 1.00 0.00 N ATOM 1090 CA ILE B 31 16.881 -1.734 -2.215 1.00 0.00 C ATOM 1091 C ILE B 31 15.602 -2.196 -1.525 1.00 0.00 C ATOM 1092 O ILE B 31 15.413 -3.387 -1.285 1.00 0.00 O ATOM 1093 CB ILE B 31 17.025 -2.464 -3.571 1.00 0.00 C ATOM 1094 CG1 ILE B 31 18.328 -2.051 -4.267 1.00 0.00 C ATOM 1095 CG2 ILE B 31 15.827 -2.166 -4.465 1.00 0.00 C ATOM 1096 CD1 ILE B 31 18.587 -2.789 -5.563 1.00 0.00 C ATOM 0 H ILE B 31 18.133 -2.930 -1.030 1.00 0.00 H new ATOM 0 HA ILE B 31 16.828 -0.662 -2.404 1.00 0.00 H new ATOM 0 HB ILE B 31 17.059 -3.537 -3.384 1.00 0.00 H new ATOM 0 HG12 ILE B 31 18.298 -0.980 -4.469 1.00 0.00 H new ATOM 0 HG13 ILE B 31 19.163 -2.224 -3.588 1.00 0.00 H new ATOM 0 HG21 ILE B 31 15.944 -2.687 -5.415 1.00 0.00 H new ATOM 0 HG22 ILE B 31 14.914 -2.505 -3.975 1.00 0.00 H new ATOM 0 HG23 ILE B 31 15.765 -1.093 -4.645 1.00 0.00 H new ATOM 0 HD11 ILE B 31 19.525 -2.444 -5.997 1.00 0.00 H new ATOM 0 HD12 ILE B 31 18.650 -3.859 -5.366 1.00 0.00 H new ATOM 0 HD13 ILE B 31 17.772 -2.596 -6.261 1.00 0.00 H new ATOM 1108 N ILE B 32 14.732 -1.255 -1.197 1.00 0.00 N ATOM 1109 CA ILE B 32 13.485 -1.585 -0.521 1.00 0.00 C ATOM 1110 C ILE B 32 12.291 -1.235 -1.398 1.00 0.00 C ATOM 1111 O ILE B 32 12.381 -0.361 -2.259 1.00 0.00 O ATOM 1112 CB ILE B 32 13.363 -0.868 0.850 1.00 0.00 C ATOM 1113 CG1 ILE B 32 13.317 0.656 0.688 1.00 0.00 C ATOM 1114 CG2 ILE B 32 14.517 -1.264 1.757 1.00 0.00 C ATOM 1115 CD1 ILE B 32 11.915 1.221 0.563 1.00 0.00 C ATOM 0 H ILE B 32 14.864 -0.261 -1.386 1.00 0.00 H new ATOM 0 HA ILE B 32 13.493 -2.659 -0.337 1.00 0.00 H new ATOM 0 HB ILE B 32 12.425 -1.183 1.306 1.00 0.00 H new ATOM 0 HG12 ILE B 32 13.808 1.117 1.545 1.00 0.00 H new ATOM 0 HG13 ILE B 32 13.890 0.935 -0.196 1.00 0.00 H new ATOM 0 HG21 ILE B 32 14.418 -0.754 2.715 1.00 0.00 H new ATOM 0 HG22 ILE B 32 14.501 -2.342 1.917 1.00 0.00 H new ATOM 0 HG23 ILE B 32 15.460 -0.981 1.290 1.00 0.00 H new ATOM 0 HD11 ILE B 32 11.968 2.304 0.452 1.00 0.00 H new ATOM 0 HD12 ILE B 32 11.426 0.790 -0.310 1.00 0.00 H new ATOM 0 HD13 ILE B 32 11.343 0.976 1.458 1.00 0.00 H new ATOM 1127 N GLY B 33 11.181 -1.922 -1.182 1.00 0.00 N ATOM 1128 CA GLY B 33 9.972 -1.632 -1.922 1.00 0.00 C ATOM 1129 C GLY B 33 8.731 -1.865 -1.091 1.00 0.00 C ATOM 1130 O GLY B 33 8.593 -2.907 -0.453 1.00 0.00 O ATOM 0 H GLY B 33 11.096 -2.679 -0.504 1.00 0.00 H new ATOM 0 HA2 GLY B 33 9.993 -0.596 -2.260 1.00 0.00 H new ATOM 0 HA3 GLY B 33 9.934 -2.257 -2.814 1.00 0.00 H new ATOM 1134 N LEU B 34 7.837 -0.893 -1.082 1.00 0.00 N ATOM 1135 CA LEU B 34 6.593 -1.013 -0.341 1.00 0.00 C ATOM 1136 C LEU B 34 5.408 -0.932 -1.292 1.00 0.00 C ATOM 1137 O LEU B 34 5.277 0.022 -2.060 1.00 0.00 O ATOM 1138 CB LEU B 34 6.496 0.085 0.721 1.00 0.00 C ATOM 1139 CG LEU B 34 5.273 0.004 1.639 1.00 0.00 C ATOM 1140 CD1 LEU B 34 5.311 -1.263 2.480 1.00 0.00 C ATOM 1141 CD2 LEU B 34 5.197 1.236 2.527 1.00 0.00 C ATOM 0 H LEU B 34 7.949 -0.010 -1.580 1.00 0.00 H new ATOM 0 HA LEU B 34 6.577 -1.981 0.160 1.00 0.00 H new ATOM 0 HB2 LEU B 34 7.395 0.052 1.337 1.00 0.00 H new ATOM 0 HB3 LEU B 34 6.489 1.053 0.219 1.00 0.00 H new ATOM 0 HG LEU B 34 4.378 -0.031 1.017 1.00 0.00 H new ATOM 0 HD11 LEU B 34 4.432 -1.299 3.124 1.00 0.00 H new ATOM 0 HD12 LEU B 34 5.316 -2.134 1.825 1.00 0.00 H new ATOM 0 HD13 LEU B 34 6.211 -1.265 3.094 1.00 0.00 H new ATOM 0 HD21 LEU B 34 4.323 1.165 3.174 1.00 0.00 H new ATOM 0 HD22 LEU B 34 6.097 1.300 3.139 1.00 0.00 H new ATOM 0 HD23 LEU B 34 5.117 2.128 1.906 1.00 0.00 H new ATOM 1153 N MET B 35 4.555 -1.939 -1.238 1.00 0.00 N ATOM 1154 CA MET B 35 3.388 -2.012 -2.098 1.00 0.00 C ATOM 1155 C MET B 35 2.123 -1.855 -1.270 1.00 0.00 C ATOM 1156 O MET B 35 1.876 -2.635 -0.349 1.00 0.00 O ATOM 1157 CB MET B 35 3.361 -3.353 -2.839 1.00 0.00 C ATOM 1158 CG MET B 35 4.584 -3.596 -3.710 1.00 0.00 C ATOM 1159 SD MET B 35 4.609 -5.244 -4.446 1.00 0.00 S ATOM 1160 CE MET B 35 4.735 -6.272 -2.982 1.00 0.00 C ATOM 0 H MET B 35 4.651 -2.728 -0.598 1.00 0.00 H new ATOM 0 HA MET B 35 3.439 -1.205 -2.829 1.00 0.00 H new ATOM 0 HB2 MET B 35 3.279 -4.159 -2.110 1.00 0.00 H new ATOM 0 HB3 MET B 35 2.468 -3.395 -3.462 1.00 0.00 H new ATOM 0 HG2 MET B 35 4.612 -2.849 -4.503 1.00 0.00 H new ATOM 0 HG3 MET B 35 5.484 -3.458 -3.110 1.00 0.00 H new ATOM 0 HE1 MET B 35 5.145 -7.245 -3.254 1.00 0.00 H new ATOM 0 HE2 MET B 35 5.391 -5.792 -2.256 1.00 0.00 H new ATOM 0 HE3 MET B 35 3.746 -6.405 -2.545 1.00 0.00 H new ATOM 1170 N VAL B 36 1.328 -0.849 -1.592 1.00 0.00 N ATOM 1171 CA VAL B 36 0.089 -0.594 -0.875 1.00 0.00 C ATOM 1172 C VAL B 36 -1.075 -0.501 -1.852 1.00 0.00 C ATOM 1173 O VAL B 36 -1.026 0.256 -2.820 1.00 0.00 O ATOM 1174 CB VAL B 36 0.163 0.715 -0.052 1.00 0.00 C ATOM 1175 CG1 VAL B 36 -1.111 0.917 0.756 1.00 0.00 C ATOM 1176 CG2 VAL B 36 1.379 0.712 0.863 1.00 0.00 C ATOM 0 H VAL B 36 1.519 -0.192 -2.349 1.00 0.00 H new ATOM 0 HA VAL B 36 -0.065 -1.426 -0.188 1.00 0.00 H new ATOM 0 HB VAL B 36 0.263 1.546 -0.750 1.00 0.00 H new ATOM 0 HG11 VAL B 36 -1.037 1.843 1.327 1.00 0.00 H new ATOM 0 HG12 VAL B 36 -1.965 0.974 0.081 1.00 0.00 H new ATOM 0 HG13 VAL B 36 -1.245 0.079 1.440 1.00 0.00 H new ATOM 0 HG21 VAL B 36 1.409 1.642 1.431 1.00 0.00 H new ATOM 0 HG22 VAL B 36 1.315 -0.131 1.551 1.00 0.00 H new ATOM 0 HG23 VAL B 36 2.285 0.623 0.264 1.00 0.00 H new ATOM 1186 N GLY B 37 -2.109 -1.285 -1.606 1.00 0.00 N ATOM 1187 CA GLY B 37 -3.287 -1.239 -2.442 1.00 0.00 C ATOM 1188 C GLY B 37 -4.551 -1.290 -1.620 1.00 0.00 C ATOM 1189 O GLY B 37 -4.652 -2.081 -0.686 1.00 0.00 O ATOM 0 H GLY B 37 -2.154 -1.956 -0.839 1.00 0.00 H new ATOM 0 HA2 GLY B 37 -3.276 -0.326 -3.038 1.00 0.00 H new ATOM 0 HA3 GLY B 37 -3.272 -2.076 -3.140 1.00 0.00 H new ATOM 1193 N GLY B 38 -5.510 -0.446 -1.951 1.00 0.00 N ATOM 1194 CA GLY B 38 -6.748 -0.412 -1.201 1.00 0.00 C ATOM 1195 C GLY B 38 -7.959 -0.536 -2.094 1.00 0.00 C ATOM 1196 O GLY B 38 -8.001 0.047 -3.180 1.00 0.00 O ATOM 0 H GLY B 38 -5.456 0.217 -2.724 1.00 0.00 H new ATOM 0 HA2 GLY B 38 -6.752 -1.222 -0.472 1.00 0.00 H new ATOM 0 HA3 GLY B 38 -6.806 0.521 -0.641 1.00 0.00 H new ATOM 1200 N VAL B 39 -8.942 -1.301 -1.641 1.00 0.00 N ATOM 1201 CA VAL B 39 -10.178 -1.485 -2.381 1.00 0.00 C ATOM 1202 C VAL B 39 -11.378 -1.192 -1.485 1.00 0.00 C ATOM 1203 O VAL B 39 -11.465 -1.688 -0.361 1.00 0.00 O ATOM 1204 CB VAL B 39 -10.303 -2.925 -2.932 1.00 0.00 C ATOM 1205 CG1 VAL B 39 -11.543 -3.062 -3.804 1.00 0.00 C ATOM 1206 CG2 VAL B 39 -9.058 -3.320 -3.711 1.00 0.00 C ATOM 0 H VAL B 39 -8.904 -1.807 -0.756 1.00 0.00 H new ATOM 0 HA VAL B 39 -10.160 -0.791 -3.221 1.00 0.00 H new ATOM 0 HB VAL B 39 -10.402 -3.602 -2.083 1.00 0.00 H new ATOM 0 HG11 VAL B 39 -11.612 -4.082 -4.181 1.00 0.00 H new ATOM 0 HG12 VAL B 39 -12.430 -2.833 -3.214 1.00 0.00 H new ATOM 0 HG13 VAL B 39 -11.476 -2.369 -4.643 1.00 0.00 H new ATOM 0 HG21 VAL B 39 -9.172 -4.337 -4.087 1.00 0.00 H new ATOM 0 HG22 VAL B 39 -8.921 -2.636 -4.549 1.00 0.00 H new ATOM 0 HG23 VAL B 39 -8.188 -3.271 -3.056 1.00 0.00 H new ATOM 1216 N VAL B 40 -12.288 -0.372 -1.981 1.00 0.00 N ATOM 1217 CA VAL B 40 -13.515 -0.058 -1.268 1.00 0.00 C ATOM 1218 C VAL B 40 -14.714 -0.479 -2.101 1.00 0.00 C ATOM 1219 O VAL B 40 -14.921 0.038 -3.197 1.00 0.00 O ATOM 1220 CB VAL B 40 -13.618 1.452 -0.954 1.00 0.00 C ATOM 1221 CG1 VAL B 40 -14.944 1.782 -0.283 1.00 0.00 C ATOM 1222 CG2 VAL B 40 -12.454 1.898 -0.082 1.00 0.00 C ATOM 0 H VAL B 40 -12.199 0.093 -2.884 1.00 0.00 H new ATOM 0 HA VAL B 40 -13.502 -0.604 -0.325 1.00 0.00 H new ATOM 0 HB VAL B 40 -13.572 1.995 -1.898 1.00 0.00 H new ATOM 0 HG11 VAL B 40 -14.990 2.851 -0.073 1.00 0.00 H new ATOM 0 HG12 VAL B 40 -15.765 1.507 -0.945 1.00 0.00 H new ATOM 0 HG13 VAL B 40 -15.028 1.225 0.650 1.00 0.00 H new ATOM 0 HG21 VAL B 40 -12.544 2.964 0.128 1.00 0.00 H new ATOM 0 HG22 VAL B 40 -12.467 1.341 0.855 1.00 0.00 H new ATOM 0 HG23 VAL B 40 -11.516 1.709 -0.603 1.00 0.00 H new ATOM 1232 N ILE B 41 -15.479 -1.431 -1.600 1.00 0.00 N ATOM 1233 CA ILE B 41 -16.665 -1.893 -2.297 1.00 0.00 C ATOM 1234 C ILE B 41 -17.921 -1.505 -1.526 1.00 0.00 C ATOM 1235 O ILE B 41 -18.197 -2.044 -0.450 1.00 0.00 O ATOM 1236 CB ILE B 41 -16.640 -3.422 -2.515 1.00 0.00 C ATOM 1237 CG1 ILE B 41 -15.402 -3.824 -3.322 1.00 0.00 C ATOM 1238 CG2 ILE B 41 -17.908 -3.881 -3.222 1.00 0.00 C ATOM 1239 CD1 ILE B 41 -15.287 -5.313 -3.566 1.00 0.00 C ATOM 0 H ILE B 41 -15.300 -1.900 -0.712 1.00 0.00 H new ATOM 0 HA ILE B 41 -16.676 -1.411 -3.274 1.00 0.00 H new ATOM 0 HB ILE B 41 -16.593 -3.910 -1.541 1.00 0.00 H new ATOM 0 HG12 ILE B 41 -15.423 -3.309 -4.282 1.00 0.00 H new ATOM 0 HG13 ILE B 41 -14.511 -3.482 -2.796 1.00 0.00 H new ATOM 0 HG21 ILE B 41 -17.873 -4.961 -3.367 1.00 0.00 H new ATOM 0 HG22 ILE B 41 -18.776 -3.624 -2.615 1.00 0.00 H new ATOM 0 HG23 ILE B 41 -17.984 -3.387 -4.191 1.00 0.00 H new ATOM 0 HD11 ILE B 41 -14.386 -5.519 -4.143 1.00 0.00 H new ATOM 0 HD12 ILE B 41 -15.233 -5.835 -2.611 1.00 0.00 H new ATOM 0 HD13 ILE B 41 -16.160 -5.659 -4.120 1.00 0.00 H new ATOM 1251 N ALA B 42 -18.659 -0.555 -2.081 1.00 0.00 N ATOM 1252 CA ALA B 42 -19.902 -0.087 -1.493 1.00 0.00 C ATOM 1253 C ALA B 42 -20.667 0.749 -2.509 1.00 0.00 C ATOM 1254 O ALA B 42 -20.528 1.988 -2.485 1.00 0.00 O ATOM 1255 CB ALA B 42 -19.632 0.719 -0.228 1.00 0.00 C ATOM 1256 OXT ALA B 42 -21.371 0.156 -3.349 1.00 0.00 O ATOM 0 H ALA B 42 -18.411 -0.087 -2.953 1.00 0.00 H new ATOM 0 HA ALA B 42 -20.507 -0.950 -1.216 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -20.577 1.059 0.195 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -19.114 0.093 0.498 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -19.012 1.582 -0.472 1.00 0.00 H new ATOM 1394 N TYR C 10 -21.662 -8.527 10.641 1.00 0.00 N ATOM 1395 CA TYR C 10 -20.322 -7.969 10.536 1.00 0.00 C ATOM 1396 C TYR C 10 -19.280 -9.080 10.605 1.00 0.00 C ATOM 1397 O TYR C 10 -19.500 -10.104 11.254 1.00 0.00 O ATOM 1398 CB TYR C 10 -20.110 -6.965 11.681 1.00 0.00 C ATOM 1399 CG TYR C 10 -18.783 -6.235 11.660 1.00 0.00 C ATOM 1400 CD1 TYR C 10 -17.709 -6.675 12.426 1.00 0.00 C ATOM 1401 CD2 TYR C 10 -18.613 -5.096 10.888 1.00 0.00 C ATOM 1402 CE1 TYR C 10 -16.503 -5.999 12.418 1.00 0.00 C ATOM 1403 CE2 TYR C 10 -17.410 -4.417 10.874 1.00 0.00 C ATOM 1404 CZ TYR C 10 -16.360 -4.872 11.641 1.00 0.00 C ATOM 1405 OH TYR C 10 -15.164 -4.191 11.632 1.00 0.00 O ATOM 0 HA TYR C 10 -20.212 -7.459 9.579 1.00 0.00 H new ATOM 0 HB2 TYR C 10 -20.913 -6.228 11.650 1.00 0.00 H new ATOM 0 HB3 TYR C 10 -20.200 -7.495 12.629 1.00 0.00 H new ATOM 0 HD1 TYR C 10 -17.819 -7.559 13.037 1.00 0.00 H new ATOM 0 HD2 TYR C 10 -19.434 -4.734 10.288 1.00 0.00 H new ATOM 0 HE1 TYR C 10 -15.678 -6.353 13.018 1.00 0.00 H new ATOM 0 HE2 TYR C 10 -17.293 -3.533 10.264 1.00 0.00 H new ATOM 0 HH TYR C 10 -14.429 -4.818 11.797 1.00 0.00 H new ATOM 1415 N GLU C 11 -18.144 -8.867 9.953 1.00 0.00 N ATOM 1416 CA GLU C 11 -17.045 -9.821 9.984 1.00 0.00 C ATOM 1417 C GLU C 11 -15.704 -9.107 10.024 1.00 0.00 C ATOM 1418 O GLU C 11 -15.560 -7.999 9.500 1.00 0.00 O ATOM 1419 CB GLU C 11 -17.081 -10.750 8.770 1.00 0.00 C ATOM 1420 CG GLU C 11 -18.086 -11.878 8.875 1.00 0.00 C ATOM 1421 CD GLU C 11 -18.002 -12.818 7.695 1.00 0.00 C ATOM 1422 OE1 GLU C 11 -18.980 -12.906 6.930 1.00 0.00 O ATOM 1423 OE2 GLU C 11 -16.941 -13.457 7.523 1.00 0.00 O ATOM 0 H GLU C 11 -17.960 -8.035 9.392 1.00 0.00 H new ATOM 0 HA GLU C 11 -17.164 -10.415 10.890 1.00 0.00 H new ATOM 0 HB2 GLU C 11 -17.308 -10.159 7.882 1.00 0.00 H new ATOM 0 HB3 GLU C 11 -16.088 -11.176 8.624 1.00 0.00 H new ATOM 0 HG2 GLU C 11 -17.912 -12.435 9.796 1.00 0.00 H new ATOM 0 HG3 GLU C 11 -19.092 -11.463 8.938 1.00 0.00 H new ATOM 1430 N VAL C 12 -14.732 -9.748 10.650 1.00 0.00 N ATOM 1431 CA VAL C 12 -13.372 -9.241 10.685 1.00 0.00 C ATOM 1432 C VAL C 12 -12.473 -10.154 9.864 1.00 0.00 C ATOM 1433 O VAL C 12 -12.285 -11.322 10.204 1.00 0.00 O ATOM 1434 CB VAL C 12 -12.832 -9.158 12.130 1.00 0.00 C ATOM 1435 CG1 VAL C 12 -11.394 -8.665 12.140 1.00 0.00 C ATOM 1436 CG2 VAL C 12 -13.714 -8.259 12.981 1.00 0.00 C ATOM 0 H VAL C 12 -14.863 -10.630 11.146 1.00 0.00 H new ATOM 0 HA VAL C 12 -13.376 -8.234 10.267 1.00 0.00 H new ATOM 0 HB VAL C 12 -12.851 -10.160 12.559 1.00 0.00 H new ATOM 0 HG11 VAL C 12 -11.034 -8.614 13.168 1.00 0.00 H new ATOM 0 HG12 VAL C 12 -10.769 -9.353 11.570 1.00 0.00 H new ATOM 0 HG13 VAL C 12 -11.346 -7.674 11.689 1.00 0.00 H new ATOM 0 HG21 VAL C 12 -13.317 -8.214 13.995 1.00 0.00 H new ATOM 0 HG22 VAL C 12 -13.732 -7.257 12.553 1.00 0.00 H new ATOM 0 HG23 VAL C 12 -14.727 -8.661 13.006 1.00 0.00 H new ATOM 1446 N HIS C 13 -11.940 -9.635 8.769 1.00 0.00 N ATOM 1447 CA HIS C 13 -11.072 -10.425 7.907 1.00 0.00 C ATOM 1448 C HIS C 13 -9.676 -9.827 7.888 1.00 0.00 C ATOM 1449 O HIS C 13 -9.516 -8.614 7.761 1.00 0.00 O ATOM 1450 CB HIS C 13 -11.627 -10.498 6.479 1.00 0.00 C ATOM 1451 CG HIS C 13 -12.895 -11.293 6.338 1.00 0.00 C ATOM 1452 ND1 HIS C 13 -13.588 -11.393 5.151 1.00 0.00 N ATOM 1453 CD2 HIS C 13 -13.593 -12.030 7.237 1.00 0.00 C ATOM 1454 CE1 HIS C 13 -14.652 -12.151 5.324 1.00 0.00 C ATOM 1455 NE2 HIS C 13 -14.682 -12.552 6.579 1.00 0.00 N ATOM 0 H HIS C 13 -12.091 -8.676 8.457 1.00 0.00 H new ATOM 0 HA HIS C 13 -11.028 -11.438 8.308 1.00 0.00 H new ATOM 0 HB2 HIS C 13 -11.808 -9.484 6.122 1.00 0.00 H new ATOM 0 HB3 HIS C 13 -10.867 -10.933 5.830 1.00 0.00 H new ATOM 0 HD2 HIS C 13 -13.341 -12.179 8.276 1.00 0.00 H new ATOM 0 HE1 HIS C 13 -15.378 -12.402 4.565 1.00 0.00 H new ATOM 0 HE2 HIS C 13 -15.396 -13.151 6.994 1.00 0.00 H new ATOM 1464 N HIS C 14 -8.666 -10.675 8.018 1.00 0.00 N ATOM 1465 CA HIS C 14 -7.284 -10.219 7.999 1.00 0.00 C ATOM 1466 C HIS C 14 -6.338 -11.375 7.691 1.00 0.00 C ATOM 1467 O HIS C 14 -6.487 -12.476 8.218 1.00 0.00 O ATOM 1468 CB HIS C 14 -6.904 -9.557 9.335 1.00 0.00 C ATOM 1469 CG HIS C 14 -6.966 -10.471 10.527 1.00 0.00 C ATOM 1470 ND1 HIS C 14 -5.842 -10.975 11.147 1.00 0.00 N ATOM 1471 CD2 HIS C 14 -8.024 -10.957 11.223 1.00 0.00 C ATOM 1472 CE1 HIS C 14 -6.204 -11.727 12.166 1.00 0.00 C ATOM 1473 NE2 HIS C 14 -7.520 -11.734 12.234 1.00 0.00 N ATOM 0 H HIS C 14 -8.778 -11.682 8.138 1.00 0.00 H new ATOM 0 HA HIS C 14 -7.188 -9.474 7.209 1.00 0.00 H new ATOM 0 HB2 HIS C 14 -5.893 -9.157 9.253 1.00 0.00 H new ATOM 0 HB3 HIS C 14 -7.569 -8.711 9.508 1.00 0.00 H new ATOM 0 HD2 HIS C 14 -9.068 -10.767 11.019 1.00 0.00 H new ATOM 0 HE1 HIS C 14 -5.535 -12.250 12.833 1.00 0.00 H new ATOM 0 HE2 HIS C 14 -8.074 -12.237 12.927 1.00 0.00 H new ATOM 1482 N GLN C 15 -5.374 -11.110 6.825 1.00 0.00 N ATOM 1483 CA GLN C 15 -4.394 -12.106 6.420 1.00 0.00 C ATOM 1484 C GLN C 15 -2.986 -11.568 6.648 1.00 0.00 C ATOM 1485 O GLN C 15 -2.738 -10.372 6.486 1.00 0.00 O ATOM 1486 CB GLN C 15 -4.575 -12.485 4.944 1.00 0.00 C ATOM 1487 CG GLN C 15 -5.804 -13.341 4.654 1.00 0.00 C ATOM 1488 CD GLN C 15 -7.110 -12.570 4.720 1.00 0.00 C ATOM 1489 OE1 GLN C 15 -7.163 -11.379 4.416 1.00 0.00 O ATOM 1490 NE2 GLN C 15 -8.172 -13.248 5.121 1.00 0.00 N ATOM 0 H GLN C 15 -5.248 -10.199 6.383 1.00 0.00 H new ATOM 0 HA GLN C 15 -4.543 -13.001 7.024 1.00 0.00 H new ATOM 0 HB2 GLN C 15 -4.637 -11.571 4.353 1.00 0.00 H new ATOM 0 HB3 GLN C 15 -3.687 -13.022 4.609 1.00 0.00 H new ATOM 0 HG2 GLN C 15 -5.703 -13.784 3.663 1.00 0.00 H new ATOM 0 HG3 GLN C 15 -5.841 -14.163 5.368 1.00 0.00 H new ATOM 0 HE21 GLN C 15 -8.085 -14.235 5.364 1.00 0.00 H new ATOM 0 HE22 GLN C 15 -9.078 -12.784 5.187 1.00 0.00 H new ATOM 1499 N LYS C 16 -2.067 -12.448 7.018 1.00 0.00 N ATOM 1500 CA LYS C 16 -0.699 -12.045 7.309 1.00 0.00 C ATOM 1501 C LYS C 16 0.287 -13.149 6.925 1.00 0.00 C ATOM 1502 O LYS C 16 0.086 -14.319 7.250 1.00 0.00 O ATOM 1503 CB LYS C 16 -0.549 -11.683 8.791 1.00 0.00 C ATOM 1504 CG LYS C 16 -0.986 -12.787 9.741 1.00 0.00 C ATOM 1505 CD LYS C 16 -0.820 -12.374 11.192 1.00 0.00 C ATOM 1506 CE LYS C 16 -1.234 -13.491 12.135 1.00 0.00 C ATOM 1507 NZ LYS C 16 -1.046 -13.112 13.557 1.00 0.00 N ATOM 0 H LYS C 16 -2.244 -13.447 7.124 1.00 0.00 H new ATOM 0 HA LYS C 16 -0.471 -11.162 6.712 1.00 0.00 H new ATOM 0 HB2 LYS C 16 0.494 -11.436 8.991 1.00 0.00 H new ATOM 0 HB3 LYS C 16 -1.134 -10.787 8.997 1.00 0.00 H new ATOM 0 HG2 LYS C 16 -2.029 -13.039 9.551 1.00 0.00 H new ATOM 0 HG3 LYS C 16 -0.400 -13.686 9.549 1.00 0.00 H new ATOM 0 HD2 LYS C 16 0.219 -12.104 11.379 1.00 0.00 H new ATOM 0 HD3 LYS C 16 -1.421 -11.486 11.391 1.00 0.00 H new ATOM 0 HE2 LYS C 16 -2.280 -13.743 11.962 1.00 0.00 H new ATOM 0 HE3 LYS C 16 -0.650 -14.385 11.917 1.00 0.00 H new ATOM 0 HZ1 LYS C 16 -1.340 -13.901 14.168 1.00 0.00 H new ATOM 0 HZ2 LYS C 16 -0.043 -12.896 13.729 1.00 0.00 H new ATOM 0 HZ3 LYS C 16 -1.623 -12.274 13.772 1.00 0.00 H new ATOM 1521 N LEU C 17 1.341 -12.763 6.222 1.00 0.00 N ATOM 1522 CA LEU C 17 2.364 -13.700 5.786 1.00 0.00 C ATOM 1523 C LEU C 17 3.738 -13.047 5.838 1.00 0.00 C ATOM 1524 O LEU C 17 3.973 -12.028 5.190 1.00 0.00 O ATOM 1525 CB LEU C 17 2.067 -14.174 4.358 1.00 0.00 C ATOM 1526 CG LEU C 17 3.123 -15.084 3.728 1.00 0.00 C ATOM 1527 CD1 LEU C 17 3.228 -16.396 4.487 1.00 0.00 C ATOM 1528 CD2 LEU C 17 2.793 -15.337 2.266 1.00 0.00 C ATOM 0 H LEU C 17 1.510 -11.798 5.939 1.00 0.00 H new ATOM 0 HA LEU C 17 2.358 -14.559 6.457 1.00 0.00 H new ATOM 0 HB2 LEU C 17 1.114 -14.702 4.361 1.00 0.00 H new ATOM 0 HB3 LEU C 17 1.943 -13.297 3.722 1.00 0.00 H new ATOM 0 HG LEU C 17 4.089 -14.583 3.786 1.00 0.00 H new ATOM 0 HD11 LEU C 17 3.985 -17.027 4.021 1.00 0.00 H new ATOM 0 HD12 LEU C 17 3.509 -16.197 5.521 1.00 0.00 H new ATOM 0 HD13 LEU C 17 2.266 -16.907 4.464 1.00 0.00 H new ATOM 0 HD21 LEU C 17 3.552 -15.986 1.829 1.00 0.00 H new ATOM 0 HD22 LEU C 17 1.818 -15.818 2.191 1.00 0.00 H new ATOM 0 HD23 LEU C 17 2.773 -14.389 1.728 1.00 0.00 H new ATOM 1540 N VAL C 18 4.635 -13.625 6.615 1.00 0.00 N ATOM 1541 CA VAL C 18 6.003 -13.141 6.697 1.00 0.00 C ATOM 1542 C VAL C 18 6.958 -14.214 6.195 1.00 0.00 C ATOM 1543 O VAL C 18 6.900 -15.360 6.640 1.00 0.00 O ATOM 1544 CB VAL C 18 6.383 -12.748 8.142 1.00 0.00 C ATOM 1545 CG1 VAL C 18 7.793 -12.177 8.198 1.00 0.00 C ATOM 1546 CG2 VAL C 18 5.380 -11.755 8.712 1.00 0.00 C ATOM 0 H VAL C 18 4.440 -14.436 7.202 1.00 0.00 H new ATOM 0 HA VAL C 18 6.080 -12.250 6.073 1.00 0.00 H new ATOM 0 HB VAL C 18 6.358 -13.650 8.753 1.00 0.00 H new ATOM 0 HG11 VAL C 18 8.036 -11.908 9.226 1.00 0.00 H new ATOM 0 HG12 VAL C 18 8.502 -12.924 7.841 1.00 0.00 H new ATOM 0 HG13 VAL C 18 7.852 -11.290 7.567 1.00 0.00 H new ATOM 0 HG21 VAL C 18 5.667 -11.492 9.730 1.00 0.00 H new ATOM 0 HG22 VAL C 18 5.367 -10.856 8.095 1.00 0.00 H new ATOM 0 HG23 VAL C 18 4.387 -12.205 8.719 1.00 0.00 H new ATOM 1556 N PHE C 19 7.823 -13.850 5.263 1.00 0.00 N ATOM 1557 CA PHE C 19 8.754 -14.802 4.684 1.00 0.00 C ATOM 1558 C PHE C 19 10.146 -14.191 4.564 1.00 0.00 C ATOM 1559 O PHE C 19 10.297 -13.016 4.224 1.00 0.00 O ATOM 1560 CB PHE C 19 8.251 -15.267 3.310 1.00 0.00 C ATOM 1561 CG PHE C 19 9.161 -16.250 2.624 1.00 0.00 C ATOM 1562 CD1 PHE C 19 9.267 -17.554 3.082 1.00 0.00 C ATOM 1563 CD2 PHE C 19 9.907 -15.870 1.520 1.00 0.00 C ATOM 1564 CE1 PHE C 19 10.099 -18.459 2.451 1.00 0.00 C ATOM 1565 CE2 PHE C 19 10.742 -16.770 0.887 1.00 0.00 C ATOM 1566 CZ PHE C 19 10.838 -18.066 1.352 1.00 0.00 C ATOM 0 H PHE C 19 7.899 -12.903 4.892 1.00 0.00 H new ATOM 0 HA PHE C 19 8.818 -15.667 5.344 1.00 0.00 H new ATOM 0 HB2 PHE C 19 7.267 -15.721 3.430 1.00 0.00 H new ATOM 0 HB3 PHE C 19 8.124 -14.396 2.667 1.00 0.00 H new ATOM 0 HD1 PHE C 19 8.693 -17.866 3.942 1.00 0.00 H new ATOM 0 HD2 PHE C 19 9.835 -14.858 1.150 1.00 0.00 H new ATOM 0 HE1 PHE C 19 10.171 -19.473 2.817 1.00 0.00 H new ATOM 0 HE2 PHE C 19 11.319 -16.460 0.029 1.00 0.00 H new ATOM 0 HZ PHE C 19 11.490 -18.771 0.858 1.00 0.00 H new ATOM 1576 N PHE C 20 11.153 -14.992 4.864 1.00 0.00 N ATOM 1577 CA PHE C 20 12.533 -14.562 4.746 1.00 0.00 C ATOM 1578 C PHE C 20 13.201 -15.307 3.603 1.00 0.00 C ATOM 1579 O PHE C 20 13.091 -16.530 3.505 1.00 0.00 O ATOM 1580 CB PHE C 20 13.285 -14.823 6.050 1.00 0.00 C ATOM 1581 CG PHE C 20 12.674 -14.157 7.249 1.00 0.00 C ATOM 1582 CD1 PHE C 20 12.856 -12.804 7.473 1.00 0.00 C ATOM 1583 CD2 PHE C 20 11.922 -14.886 8.156 1.00 0.00 C ATOM 1584 CE1 PHE C 20 12.302 -12.189 8.578 1.00 0.00 C ATOM 1585 CE2 PHE C 20 11.363 -14.277 9.262 1.00 0.00 C ATOM 1586 CZ PHE C 20 11.553 -12.927 9.473 1.00 0.00 C ATOM 0 H PHE C 20 11.038 -15.950 5.193 1.00 0.00 H new ATOM 0 HA PHE C 20 12.555 -13.491 4.542 1.00 0.00 H new ATOM 0 HB2 PHE C 20 13.326 -15.898 6.225 1.00 0.00 H new ATOM 0 HB3 PHE C 20 14.313 -14.479 5.940 1.00 0.00 H new ATOM 0 HD1 PHE C 20 13.439 -12.222 6.775 1.00 0.00 H new ATOM 0 HD2 PHE C 20 11.771 -15.943 7.996 1.00 0.00 H new ATOM 0 HE1 PHE C 20 12.454 -11.132 8.742 1.00 0.00 H new ATOM 0 HE2 PHE C 20 10.778 -14.857 9.961 1.00 0.00 H new ATOM 0 HZ PHE C 20 11.117 -12.448 10.337 1.00 0.00 H new ATOM 1703 N GLY C 29 20.115 -10.360 0.623 1.00 0.00 N ATOM 1704 CA GLY C 29 19.091 -11.007 1.414 1.00 0.00 C ATOM 1705 C GLY C 29 17.773 -10.275 1.292 1.00 0.00 C ATOM 1706 O GLY C 29 17.745 -9.045 1.326 1.00 0.00 O ATOM 0 HA2 GLY C 29 18.970 -12.039 1.086 1.00 0.00 H new ATOM 0 HA3 GLY C 29 19.399 -11.039 2.459 1.00 0.00 H new ATOM 1710 N ALA C 30 16.682 -11.010 1.148 1.00 0.00 N ATOM 1711 CA ALA C 30 15.388 -10.386 0.925 1.00 0.00 C ATOM 1712 C ALA C 30 14.415 -10.691 2.056 1.00 0.00 C ATOM 1713 O ALA C 30 14.217 -11.843 2.438 1.00 0.00 O ATOM 1714 CB ALA C 30 14.807 -10.831 -0.409 1.00 0.00 C ATOM 0 H ALA C 30 16.666 -12.029 1.181 1.00 0.00 H new ATOM 0 HA ALA C 30 15.541 -9.307 0.902 1.00 0.00 H new ATOM 0 HB1 ALA C 30 13.838 -10.355 -0.561 1.00 0.00 H new ATOM 0 HB2 ALA C 30 15.483 -10.543 -1.214 1.00 0.00 H new ATOM 0 HB3 ALA C 30 14.683 -11.914 -0.409 1.00 0.00 H new ATOM 1720 N ILE C 31 13.808 -9.642 2.578 1.00 0.00 N ATOM 1721 CA ILE C 31 12.803 -9.764 3.622 1.00 0.00 C ATOM 1722 C ILE C 31 11.459 -9.319 3.063 1.00 0.00 C ATOM 1723 O ILE C 31 11.339 -8.199 2.572 1.00 0.00 O ATOM 1724 CB ILE C 31 13.146 -8.882 4.847 1.00 0.00 C ATOM 1725 CG1 ILE C 31 14.637 -8.987 5.209 1.00 0.00 C ATOM 1726 CG2 ILE C 31 12.277 -9.265 6.039 1.00 0.00 C ATOM 1727 CD1 ILE C 31 15.086 -10.375 5.617 1.00 0.00 C ATOM 0 H ILE C 31 13.996 -8.681 2.292 1.00 0.00 H new ATOM 0 HA ILE C 31 12.770 -10.804 3.945 1.00 0.00 H new ATOM 0 HB ILE C 31 12.939 -7.845 4.583 1.00 0.00 H new ATOM 0 HG12 ILE C 31 15.230 -8.664 4.353 1.00 0.00 H new ATOM 0 HG13 ILE C 31 14.850 -8.295 6.024 1.00 0.00 H new ATOM 0 HG21 ILE C 31 12.531 -8.635 6.892 1.00 0.00 H new ATOM 0 HG22 ILE C 31 11.227 -9.124 5.784 1.00 0.00 H new ATOM 0 HG23 ILE C 31 12.451 -10.310 6.295 1.00 0.00 H new ATOM 0 HD11 ILE C 31 16.150 -10.358 5.855 1.00 0.00 H new ATOM 0 HD12 ILE C 31 14.523 -10.697 6.493 1.00 0.00 H new ATOM 0 HD13 ILE C 31 14.909 -11.071 4.797 1.00 0.00 H new ATOM 1739 N ILE C 32 10.456 -10.184 3.110 1.00 0.00 N ATOM 1740 CA ILE C 32 9.155 -9.841 2.554 1.00 0.00 C ATOM 1741 C ILE C 32 8.030 -10.119 3.548 1.00 0.00 C ATOM 1742 O ILE C 32 7.954 -11.193 4.151 1.00 0.00 O ATOM 1743 CB ILE C 32 8.889 -10.578 1.215 1.00 0.00 C ATOM 1744 CG1 ILE C 32 7.486 -10.257 0.687 1.00 0.00 C ATOM 1745 CG2 ILE C 32 9.074 -12.081 1.373 1.00 0.00 C ATOM 1746 CD1 ILE C 32 7.202 -10.840 -0.681 1.00 0.00 C ATOM 0 H ILE C 32 10.515 -11.116 3.521 1.00 0.00 H new ATOM 0 HA ILE C 32 9.173 -8.770 2.350 1.00 0.00 H new ATOM 0 HB ILE C 32 9.618 -10.223 0.486 1.00 0.00 H new ATOM 0 HG12 ILE C 32 6.747 -10.634 1.393 1.00 0.00 H new ATOM 0 HG13 ILE C 32 7.363 -9.175 0.644 1.00 0.00 H new ATOM 0 HG21 ILE C 32 8.882 -12.573 0.420 1.00 0.00 H new ATOM 0 HG22 ILE C 32 10.096 -12.291 1.690 1.00 0.00 H new ATOM 0 HG23 ILE C 32 8.377 -12.457 2.123 1.00 0.00 H new ATOM 0 HD11 ILE C 32 6.191 -10.571 -0.988 1.00 0.00 H new ATOM 0 HD12 ILE C 32 7.918 -10.444 -1.401 1.00 0.00 H new ATOM 0 HD13 ILE C 32 7.292 -11.925 -0.640 1.00 0.00 H new ATOM 1758 N GLY C 33 7.172 -9.128 3.727 1.00 0.00 N ATOM 1759 CA GLY C 33 6.036 -9.268 4.609 1.00 0.00 C ATOM 1760 C GLY C 33 4.761 -8.799 3.945 1.00 0.00 C ATOM 1761 O GLY C 33 4.713 -7.697 3.399 1.00 0.00 O ATOM 0 H GLY C 33 7.245 -8.219 3.271 1.00 0.00 H new ATOM 0 HA2 GLY C 33 5.931 -10.311 4.906 1.00 0.00 H new ATOM 0 HA3 GLY C 33 6.207 -8.693 5.519 1.00 0.00 H new ATOM 1765 N LEU C 34 3.736 -9.635 3.980 1.00 0.00 N ATOM 1766 CA LEU C 34 2.468 -9.321 3.340 1.00 0.00 C ATOM 1767 C LEU C 34 1.346 -9.315 4.369 1.00 0.00 C ATOM 1768 O LEU C 34 1.176 -10.274 5.120 1.00 0.00 O ATOM 1769 CB LEU C 34 2.160 -10.347 2.243 1.00 0.00 C ATOM 1770 CG LEU C 34 3.233 -10.501 1.160 1.00 0.00 C ATOM 1771 CD1 LEU C 34 2.848 -11.604 0.188 1.00 0.00 C ATOM 1772 CD2 LEU C 34 3.443 -9.190 0.414 1.00 0.00 C ATOM 0 H LEU C 34 3.758 -10.541 4.448 1.00 0.00 H new ATOM 0 HA LEU C 34 2.542 -8.331 2.890 1.00 0.00 H new ATOM 0 HB2 LEU C 34 2.001 -11.318 2.713 1.00 0.00 H new ATOM 0 HB3 LEU C 34 1.222 -10.068 1.763 1.00 0.00 H new ATOM 0 HG LEU C 34 4.170 -10.772 1.646 1.00 0.00 H new ATOM 0 HD11 LEU C 34 3.620 -11.702 -0.576 1.00 0.00 H new ATOM 0 HD12 LEU C 34 2.750 -12.546 0.727 1.00 0.00 H new ATOM 0 HD13 LEU C 34 1.898 -11.356 -0.286 1.00 0.00 H new ATOM 0 HD21 LEU C 34 4.209 -9.325 -0.350 1.00 0.00 H new ATOM 0 HD22 LEU C 34 2.509 -8.887 -0.059 1.00 0.00 H new ATOM 0 HD23 LEU C 34 3.761 -8.419 1.116 1.00 0.00 H new ATOM 1784 N MET C 35 0.590 -8.230 4.408 1.00 0.00 N ATOM 1785 CA MET C 35 -0.523 -8.103 5.340 1.00 0.00 C ATOM 1786 C MET C 35 -1.748 -7.534 4.637 1.00 0.00 C ATOM 1787 O MET C 35 -1.651 -6.561 3.890 1.00 0.00 O ATOM 1788 CB MET C 35 -0.147 -7.204 6.522 1.00 0.00 C ATOM 1789 CG MET C 35 0.929 -7.784 7.426 1.00 0.00 C ATOM 1790 SD MET C 35 1.256 -6.756 8.873 1.00 0.00 S ATOM 1791 CE MET C 35 1.782 -5.227 8.099 1.00 0.00 C ATOM 0 H MET C 35 0.726 -7.420 3.803 1.00 0.00 H new ATOM 0 HA MET C 35 -0.756 -9.099 5.716 1.00 0.00 H new ATOM 0 HB2 MET C 35 0.195 -6.243 6.139 1.00 0.00 H new ATOM 0 HB3 MET C 35 -1.040 -7.011 7.116 1.00 0.00 H new ATOM 0 HG2 MET C 35 0.625 -8.778 7.754 1.00 0.00 H new ATOM 0 HG3 MET C 35 1.850 -7.904 6.856 1.00 0.00 H new ATOM 0 HE1 MET C 35 2.314 -4.615 8.827 1.00 0.00 H new ATOM 0 HE2 MET C 35 2.443 -5.452 7.262 1.00 0.00 H new ATOM 0 HE3 MET C 35 0.909 -4.684 7.736 1.00 0.00 H new ATOM 1801 N VAL C 36 -2.895 -8.150 4.869 1.00 0.00 N ATOM 1802 CA VAL C 36 -4.152 -7.677 4.308 1.00 0.00 C ATOM 1803 C VAL C 36 -5.197 -7.552 5.408 1.00 0.00 C ATOM 1804 O VAL C 36 -5.371 -8.464 6.211 1.00 0.00 O ATOM 1805 CB VAL C 36 -4.692 -8.628 3.213 1.00 0.00 C ATOM 1806 CG1 VAL C 36 -5.984 -8.086 2.617 1.00 0.00 C ATOM 1807 CG2 VAL C 36 -3.653 -8.848 2.124 1.00 0.00 C ATOM 0 H VAL C 36 -2.983 -8.986 5.447 1.00 0.00 H new ATOM 0 HA VAL C 36 -3.957 -6.705 3.854 1.00 0.00 H new ATOM 0 HB VAL C 36 -4.906 -9.590 3.679 1.00 0.00 H new ATOM 0 HG11 VAL C 36 -6.346 -8.770 1.850 1.00 0.00 H new ATOM 0 HG12 VAL C 36 -6.735 -7.991 3.401 1.00 0.00 H new ATOM 0 HG13 VAL C 36 -5.798 -7.108 2.173 1.00 0.00 H new ATOM 0 HG21 VAL C 36 -4.057 -9.520 1.366 1.00 0.00 H new ATOM 0 HG22 VAL C 36 -3.400 -7.893 1.664 1.00 0.00 H new ATOM 0 HG23 VAL C 36 -2.757 -9.289 2.560 1.00 0.00 H new ATOM 1817 N GLY C 37 -5.877 -6.423 5.447 1.00 0.00 N ATOM 1818 CA GLY C 37 -6.924 -6.225 6.428 1.00 0.00 C ATOM 1819 C GLY C 37 -8.208 -5.771 5.775 1.00 0.00 C ATOM 1820 O GLY C 37 -8.183 -4.904 4.902 1.00 0.00 O ATOM 0 H GLY C 37 -5.725 -5.636 4.817 1.00 0.00 H new ATOM 0 HA2 GLY C 37 -7.098 -7.154 6.970 1.00 0.00 H new ATOM 0 HA3 GLY C 37 -6.604 -5.484 7.160 1.00 0.00 H new ATOM 1824 N GLY C 38 -9.327 -6.349 6.180 1.00 0.00 N ATOM 1825 CA GLY C 38 -10.590 -5.986 5.581 1.00 0.00 C ATOM 1826 C GLY C 38 -11.718 -5.902 6.585 1.00 0.00 C ATOM 1827 O GLY C 38 -11.845 -6.750 7.469 1.00 0.00 O ATOM 0 H GLY C 38 -9.382 -7.060 6.910 1.00 0.00 H new ATOM 0 HA2 GLY C 38 -10.485 -5.024 5.080 1.00 0.00 H new ATOM 0 HA3 GLY C 38 -10.846 -6.718 4.815 1.00 0.00 H new ATOM 1831 N VAL C 39 -12.541 -4.877 6.435 1.00 0.00 N ATOM 1832 CA VAL C 39 -13.708 -4.692 7.282 1.00 0.00 C ATOM 1833 C VAL C 39 -14.961 -5.042 6.496 1.00 0.00 C ATOM 1834 O VAL C 39 -15.259 -4.417 5.476 1.00 0.00 O ATOM 1835 CB VAL C 39 -13.810 -3.239 7.798 1.00 0.00 C ATOM 1836 CG1 VAL C 39 -15.099 -3.023 8.576 1.00 0.00 C ATOM 1837 CG2 VAL C 39 -12.606 -2.892 8.658 1.00 0.00 C ATOM 0 H VAL C 39 -12.420 -4.153 5.727 1.00 0.00 H new ATOM 0 HA VAL C 39 -13.609 -5.349 8.146 1.00 0.00 H new ATOM 0 HB VAL C 39 -13.823 -2.576 6.933 1.00 0.00 H new ATOM 0 HG11 VAL C 39 -15.144 -1.992 8.927 1.00 0.00 H new ATOM 0 HG12 VAL C 39 -15.953 -3.223 7.929 1.00 0.00 H new ATOM 0 HG13 VAL C 39 -15.126 -3.699 9.431 1.00 0.00 H new ATOM 0 HG21 VAL C 39 -12.696 -1.865 9.012 1.00 0.00 H new ATOM 0 HG22 VAL C 39 -12.562 -3.568 9.512 1.00 0.00 H new ATOM 0 HG23 VAL C 39 -11.696 -2.994 8.067 1.00 0.00 H new ATOM 1847 N VAL C 40 -15.677 -6.053 6.958 1.00 0.00 N ATOM 1848 CA VAL C 40 -16.858 -6.523 6.258 1.00 0.00 C ATOM 1849 C VAL C 40 -18.124 -6.132 7.008 1.00 0.00 C ATOM 1850 O VAL C 40 -18.445 -6.703 8.052 1.00 0.00 O ATOM 1851 CB VAL C 40 -16.824 -8.054 6.071 1.00 0.00 C ATOM 1852 CG1 VAL C 40 -18.035 -8.533 5.286 1.00 0.00 C ATOM 1853 CG2 VAL C 40 -15.537 -8.479 5.381 1.00 0.00 C ATOM 0 H VAL C 40 -15.461 -6.563 7.814 1.00 0.00 H new ATOM 0 HA VAL C 40 -16.863 -6.050 5.276 1.00 0.00 H new ATOM 0 HB VAL C 40 -16.856 -8.517 7.057 1.00 0.00 H new ATOM 0 HG11 VAL C 40 -17.987 -9.616 5.168 1.00 0.00 H new ATOM 0 HG12 VAL C 40 -18.945 -8.266 5.823 1.00 0.00 H new ATOM 0 HG13 VAL C 40 -18.042 -8.061 4.304 1.00 0.00 H new ATOM 0 HG21 VAL C 40 -15.531 -9.562 5.258 1.00 0.00 H new ATOM 0 HG22 VAL C 40 -15.474 -8.002 4.403 1.00 0.00 H new ATOM 0 HG23 VAL C 40 -14.683 -8.178 5.987 1.00 0.00 H new ATOM 1863 N ILE C 41 -18.824 -5.143 6.478 1.00 0.00 N ATOM 1864 CA ILE C 41 -20.108 -4.731 7.016 1.00 0.00 C ATOM 1865 C ILE C 41 -21.216 -5.198 6.080 1.00 0.00 C ATOM 1866 O ILE C 41 -21.412 -4.626 5.007 1.00 0.00 O ATOM 1867 CB ILE C 41 -20.188 -3.195 7.177 1.00 0.00 C ATOM 1868 CG1 ILE C 41 -19.031 -2.692 8.044 1.00 0.00 C ATOM 1869 CG2 ILE C 41 -21.525 -2.789 7.782 1.00 0.00 C ATOM 1870 CD1 ILE C 41 -18.955 -1.183 8.143 1.00 0.00 C ATOM 0 H ILE C 41 -18.519 -4.606 5.666 1.00 0.00 H new ATOM 0 HA ILE C 41 -20.226 -5.182 8.001 1.00 0.00 H new ATOM 0 HB ILE C 41 -20.107 -2.738 6.191 1.00 0.00 H new ATOM 0 HG12 ILE C 41 -19.132 -3.108 9.046 1.00 0.00 H new ATOM 0 HG13 ILE C 41 -18.093 -3.068 7.636 1.00 0.00 H new ATOM 0 HG21 ILE C 41 -21.562 -1.705 7.888 1.00 0.00 H new ATOM 0 HG22 ILE C 41 -22.334 -3.118 7.130 1.00 0.00 H new ATOM 0 HG23 ILE C 41 -21.637 -3.253 8.762 1.00 0.00 H new ATOM 0 HD11 ILE C 41 -18.111 -0.902 8.773 1.00 0.00 H new ATOM 0 HD12 ILE C 41 -18.822 -0.759 7.148 1.00 0.00 H new ATOM 0 HD13 ILE C 41 -19.877 -0.800 8.580 1.00 0.00 H new ATOM 2341 N ALA D 30 -20.964 -2.215 3.708 1.00 0.00 N ATOM 2342 CA ALA D 30 -19.714 -1.660 3.208 1.00 0.00 C ATOM 2343 C ALA D 30 -18.579 -2.655 3.417 1.00 0.00 C ATOM 2344 O ALA D 30 -18.377 -3.149 4.527 1.00 0.00 O ATOM 2345 CB ALA D 30 -19.395 -0.345 3.906 1.00 0.00 C ATOM 0 HA ALA D 30 -19.823 -1.466 2.141 1.00 0.00 H new ATOM 0 HB1 ALA D 30 -18.457 0.054 3.519 1.00 0.00 H new ATOM 0 HB2 ALA D 30 -20.197 0.369 3.721 1.00 0.00 H new ATOM 0 HB3 ALA D 30 -19.301 -0.516 4.978 1.00 0.00 H new ATOM 2351 N ILE D 31 -17.848 -2.958 2.355 1.00 0.00 N ATOM 2352 CA ILE D 31 -16.751 -3.914 2.439 1.00 0.00 C ATOM 2353 C ILE D 31 -15.461 -3.287 1.921 1.00 0.00 C ATOM 2354 O ILE D 31 -15.345 -2.971 0.738 1.00 0.00 O ATOM 2355 CB ILE D 31 -17.056 -5.200 1.635 1.00 0.00 C ATOM 2356 CG1 ILE D 31 -18.374 -5.825 2.106 1.00 0.00 C ATOM 2357 CG2 ILE D 31 -15.915 -6.199 1.779 1.00 0.00 C ATOM 2358 CD1 ILE D 31 -18.794 -7.043 1.308 1.00 0.00 C ATOM 0 H ILE D 31 -17.992 -2.558 1.428 1.00 0.00 H new ATOM 0 HA ILE D 31 -16.632 -4.184 3.488 1.00 0.00 H new ATOM 0 HB ILE D 31 -17.155 -4.935 0.582 1.00 0.00 H new ATOM 0 HG12 ILE D 31 -18.278 -6.105 3.155 1.00 0.00 H new ATOM 0 HG13 ILE D 31 -19.162 -5.075 2.047 1.00 0.00 H new ATOM 0 HG21 ILE D 31 -16.145 -7.098 1.208 1.00 0.00 H new ATOM 0 HG22 ILE D 31 -14.993 -5.755 1.403 1.00 0.00 H new ATOM 0 HG23 ILE D 31 -15.790 -6.459 2.830 1.00 0.00 H new ATOM 0 HD11 ILE D 31 -19.735 -7.429 1.701 1.00 0.00 H new ATOM 0 HD12 ILE D 31 -18.924 -6.766 0.262 1.00 0.00 H new ATOM 0 HD13 ILE D 31 -18.026 -7.812 1.387 1.00 0.00 H new ATOM 2370 N ILE D 32 -14.498 -3.096 2.812 1.00 0.00 N ATOM 2371 CA ILE D 32 -13.228 -2.493 2.431 1.00 0.00 C ATOM 2372 C ILE D 32 -12.086 -3.479 2.627 1.00 0.00 C ATOM 2373 O ILE D 32 -12.181 -4.398 3.442 1.00 0.00 O ATOM 2374 CB ILE D 32 -12.946 -1.189 3.225 1.00 0.00 C ATOM 2375 CG1 ILE D 32 -12.799 -1.458 4.728 1.00 0.00 C ATOM 2376 CG2 ILE D 32 -14.049 -0.172 2.984 1.00 0.00 C ATOM 2377 CD1 ILE D 32 -11.374 -1.727 5.173 1.00 0.00 C ATOM 0 H ILE D 32 -14.571 -3.348 3.798 1.00 0.00 H new ATOM 0 HA ILE D 32 -13.299 -2.233 1.375 1.00 0.00 H new ATOM 0 HB ILE D 32 -12.000 -0.786 2.864 1.00 0.00 H new ATOM 0 HG12 ILE D 32 -13.184 -0.600 5.279 1.00 0.00 H new ATOM 0 HG13 ILE D 32 -13.419 -2.313 4.995 1.00 0.00 H new ATOM 0 HG21 ILE D 32 -13.836 0.736 3.548 1.00 0.00 H new ATOM 0 HG22 ILE D 32 -14.100 0.064 1.921 1.00 0.00 H new ATOM 0 HG23 ILE D 32 -15.003 -0.586 3.310 1.00 0.00 H new ATOM 0 HD11 ILE D 32 -11.356 -1.907 6.248 1.00 0.00 H new ATOM 0 HD12 ILE D 32 -10.989 -2.604 4.652 1.00 0.00 H new ATOM 0 HD13 ILE D 32 -10.751 -0.864 4.940 1.00 0.00 H new ATOM 2389 N GLY D 33 -11.016 -3.290 1.874 1.00 0.00 N ATOM 2390 CA GLY D 33 -9.852 -4.133 2.014 1.00 0.00 C ATOM 2391 C GLY D 33 -8.572 -3.376 1.740 1.00 0.00 C ATOM 2392 O GLY D 33 -8.471 -2.655 0.749 1.00 0.00 O ATOM 0 H GLY D 33 -10.934 -2.562 1.164 1.00 0.00 H new ATOM 0 HA2 GLY D 33 -9.821 -4.545 3.023 1.00 0.00 H new ATOM 0 HA3 GLY D 33 -9.929 -4.976 1.327 1.00 0.00 H new ATOM 2396 N LEU D 34 -7.605 -3.516 2.630 1.00 0.00 N ATOM 2397 CA LEU D 34 -6.320 -2.862 2.461 1.00 0.00 C ATOM 2398 C LEU D 34 -5.211 -3.902 2.384 1.00 0.00 C ATOM 2399 O LEU D 34 -5.071 -4.746 3.272 1.00 0.00 O ATOM 2400 CB LEU D 34 -6.057 -1.892 3.618 1.00 0.00 C ATOM 2401 CG LEU D 34 -4.775 -1.064 3.502 1.00 0.00 C ATOM 2402 CD1 LEU D 34 -4.842 -0.132 2.300 1.00 0.00 C ATOM 2403 CD2 LEU D 34 -4.534 -0.274 4.779 1.00 0.00 C ATOM 0 H LEU D 34 -7.686 -4.077 3.478 1.00 0.00 H new ATOM 0 HA LEU D 34 -6.337 -2.294 1.531 1.00 0.00 H new ATOM 0 HB2 LEU D 34 -6.904 -1.210 3.698 1.00 0.00 H new ATOM 0 HB3 LEU D 34 -6.018 -2.462 4.546 1.00 0.00 H new ATOM 0 HG LEU D 34 -3.938 -1.747 3.356 1.00 0.00 H new ATOM 0 HD11 LEU D 34 -3.921 0.447 2.237 1.00 0.00 H new ATOM 0 HD12 LEU D 34 -4.965 -0.720 1.390 1.00 0.00 H new ATOM 0 HD13 LEU D 34 -5.689 0.545 2.411 1.00 0.00 H new ATOM 0 HD21 LEU D 34 -3.618 0.309 4.679 1.00 0.00 H new ATOM 0 HD22 LEU D 34 -5.374 0.398 4.955 1.00 0.00 H new ATOM 0 HD23 LEU D 34 -4.436 -0.961 5.619 1.00 0.00 H new ATOM 2415 N MET D 35 -4.435 -3.838 1.318 1.00 0.00 N ATOM 2416 CA MET D 35 -3.346 -4.772 1.099 1.00 0.00 C ATOM 2417 C MET D 35 -2.012 -4.051 1.208 1.00 0.00 C ATOM 2418 O MET D 35 -1.750 -3.097 0.474 1.00 0.00 O ATOM 2419 CB MET D 35 -3.473 -5.415 -0.285 1.00 0.00 C ATOM 2420 CG MET D 35 -4.775 -6.175 -0.486 1.00 0.00 C ATOM 2421 SD MET D 35 -4.981 -6.785 -2.171 1.00 0.00 S ATOM 2422 CE MET D 35 -5.072 -5.246 -3.085 1.00 0.00 C ATOM 0 H MET D 35 -4.541 -3.140 0.582 1.00 0.00 H new ATOM 0 HA MET D 35 -3.395 -5.551 1.860 1.00 0.00 H new ATOM 0 HB2 MET D 35 -3.394 -4.638 -1.046 1.00 0.00 H new ATOM 0 HB3 MET D 35 -2.637 -6.097 -0.438 1.00 0.00 H new ATOM 0 HG2 MET D 35 -4.809 -7.016 0.206 1.00 0.00 H new ATOM 0 HG3 MET D 35 -5.612 -5.523 -0.236 1.00 0.00 H new ATOM 0 HE1 MET D 35 -5.574 -5.417 -4.037 1.00 0.00 H new ATOM 0 HE2 MET D 35 -5.632 -4.512 -2.506 1.00 0.00 H new ATOM 0 HE3 MET D 35 -4.065 -4.872 -3.268 1.00 0.00 H new ATOM 2432 N VAL D 36 -1.175 -4.503 2.127 1.00 0.00 N ATOM 2433 CA VAL D 36 0.133 -3.902 2.331 1.00 0.00 C ATOM 2434 C VAL D 36 1.219 -4.969 2.266 1.00 0.00 C ATOM 2435 O VAL D 36 1.149 -5.982 2.960 1.00 0.00 O ATOM 2436 CB VAL D 36 0.222 -3.177 3.692 1.00 0.00 C ATOM 2437 CG1 VAL D 36 1.568 -2.484 3.846 1.00 0.00 C ATOM 2438 CG2 VAL D 36 -0.914 -2.178 3.848 1.00 0.00 C ATOM 0 H VAL D 36 -1.379 -5.287 2.746 1.00 0.00 H new ATOM 0 HA VAL D 36 0.280 -3.170 1.537 1.00 0.00 H new ATOM 0 HB VAL D 36 0.129 -3.925 4.480 1.00 0.00 H new ATOM 0 HG11 VAL D 36 1.609 -1.980 4.811 1.00 0.00 H new ATOM 0 HG12 VAL D 36 2.367 -3.224 3.788 1.00 0.00 H new ATOM 0 HG13 VAL D 36 1.694 -1.752 3.048 1.00 0.00 H new ATOM 0 HG21 VAL D 36 -0.830 -1.680 4.814 1.00 0.00 H new ATOM 0 HG22 VAL D 36 -0.858 -1.436 3.051 1.00 0.00 H new ATOM 0 HG23 VAL D 36 -1.869 -2.701 3.791 1.00 0.00 H new ATOM 2448 N GLY D 37 2.209 -4.744 1.422 1.00 0.00 N ATOM 2449 CA GLY D 37 3.316 -5.666 1.320 1.00 0.00 C ATOM 2450 C GLY D 37 4.636 -4.937 1.224 1.00 0.00 C ATOM 2451 O GLY D 37 4.755 -3.962 0.485 1.00 0.00 O ATOM 0 H GLY D 37 2.266 -3.936 0.803 1.00 0.00 H new ATOM 0 HA2 GLY D 37 3.325 -6.324 2.189 1.00 0.00 H new ATOM 0 HA3 GLY D 37 3.184 -6.299 0.443 1.00 0.00 H new ATOM 2455 N GLY D 38 5.626 -5.400 1.964 1.00 0.00 N ATOM 2456 CA GLY D 38 6.917 -4.748 1.953 1.00 0.00 C ATOM 2457 C GLY D 38 8.042 -5.716 1.669 1.00 0.00 C ATOM 2458 O GLY D 38 8.033 -6.847 2.161 1.00 0.00 O ATOM 0 H GLY D 38 5.561 -6.216 2.573 1.00 0.00 H new ATOM 0 HA2 GLY D 38 6.918 -3.961 1.199 1.00 0.00 H new ATOM 0 HA3 GLY D 38 7.088 -4.267 2.916 1.00 0.00 H new ATOM 2462 N VAL D 39 9.001 -5.281 0.865 1.00 0.00 N ATOM 2463 CA VAL D 39 10.156 -6.095 0.534 1.00 0.00 C ATOM 2464 C VAL D 39 11.438 -5.312 0.789 1.00 0.00 C ATOM 2465 O VAL D 39 11.573 -4.167 0.359 1.00 0.00 O ATOM 2466 CB VAL D 39 10.130 -6.546 -0.945 1.00 0.00 C ATOM 2467 CG1 VAL D 39 11.283 -7.493 -1.243 1.00 0.00 C ATOM 2468 CG2 VAL D 39 8.801 -7.199 -1.292 1.00 0.00 C ATOM 0 H VAL D 39 8.999 -4.360 0.427 1.00 0.00 H new ATOM 0 HA VAL D 39 10.124 -6.981 1.168 1.00 0.00 H new ATOM 0 HB VAL D 39 10.246 -5.658 -1.567 1.00 0.00 H new ATOM 0 HG11 VAL D 39 11.244 -7.796 -2.289 1.00 0.00 H new ATOM 0 HG12 VAL D 39 12.229 -6.988 -1.047 1.00 0.00 H new ATOM 0 HG13 VAL D 39 11.204 -8.374 -0.606 1.00 0.00 H new ATOM 0 HG21 VAL D 39 8.809 -7.507 -2.338 1.00 0.00 H new ATOM 0 HG22 VAL D 39 8.648 -8.072 -0.658 1.00 0.00 H new ATOM 0 HG23 VAL D 39 7.992 -6.487 -1.130 1.00 0.00 H new ATOM 2478 N VAL D 40 12.365 -5.931 1.499 1.00 0.00 N ATOM 2479 CA VAL D 40 13.665 -5.335 1.759 1.00 0.00 C ATOM 2480 C VAL D 40 14.759 -6.223 1.191 1.00 0.00 C ATOM 2481 O VAL D 40 14.918 -7.365 1.617 1.00 0.00 O ATOM 2482 CB VAL D 40 13.906 -5.137 3.272 1.00 0.00 C ATOM 2483 CG1 VAL D 40 15.304 -4.594 3.538 1.00 0.00 C ATOM 2484 CG2 VAL D 40 12.854 -4.215 3.864 1.00 0.00 C ATOM 0 H VAL D 40 12.240 -6.856 1.910 1.00 0.00 H new ATOM 0 HA VAL D 40 13.686 -4.357 1.278 1.00 0.00 H new ATOM 0 HB VAL D 40 13.825 -6.110 3.756 1.00 0.00 H new ATOM 0 HG11 VAL D 40 15.446 -4.464 4.611 1.00 0.00 H new ATOM 0 HG12 VAL D 40 16.046 -5.296 3.156 1.00 0.00 H new ATOM 0 HG13 VAL D 40 15.422 -3.633 3.038 1.00 0.00 H new ATOM 0 HG21 VAL D 40 13.040 -4.088 4.930 1.00 0.00 H new ATOM 0 HG22 VAL D 40 12.900 -3.245 3.369 1.00 0.00 H new ATOM 0 HG23 VAL D 40 11.865 -4.650 3.718 1.00 0.00 H new ATOM 2494 N ILE D 41 15.489 -5.714 0.213 1.00 0.00 N ATOM 2495 CA ILE D 41 16.579 -6.462 -0.385 1.00 0.00 C ATOM 2496 C ILE D 41 17.917 -5.817 -0.046 1.00 0.00 C ATOM 2497 O ILE D 41 18.241 -4.729 -0.536 1.00 0.00 O ATOM 2498 CB ILE D 41 16.426 -6.564 -1.919 1.00 0.00 C ATOM 2499 CG1 ILE D 41 15.099 -7.244 -2.274 1.00 0.00 C ATOM 2500 CG2 ILE D 41 17.596 -7.328 -2.522 1.00 0.00 C ATOM 2501 CD1 ILE D 41 14.856 -7.369 -3.762 1.00 0.00 C ATOM 0 H ILE D 41 15.346 -4.785 -0.183 1.00 0.00 H new ATOM 0 HA ILE D 41 16.547 -7.470 0.029 1.00 0.00 H new ATOM 0 HB ILE D 41 16.424 -5.557 -2.337 1.00 0.00 H new ATOM 0 HG12 ILE D 41 15.080 -8.238 -1.827 1.00 0.00 H new ATOM 0 HG13 ILE D 41 14.281 -6.678 -1.828 1.00 0.00 H new ATOM 0 HG21 ILE D 41 17.472 -7.390 -3.603 1.00 0.00 H new ATOM 0 HG22 ILE D 41 18.526 -6.808 -2.293 1.00 0.00 H new ATOM 0 HG23 ILE D 41 17.629 -8.333 -2.102 1.00 0.00 H new ATOM 0 HD11 ILE D 41 13.898 -7.860 -3.934 1.00 0.00 H new ATOM 0 HD12 ILE D 41 14.842 -6.377 -4.213 1.00 0.00 H new ATOM 0 HD13 ILE D 41 15.653 -7.961 -4.212 1.00 0.00 H new ATOM 2513 N ALA D 42 18.676 -6.491 0.804 1.00 0.00 N ATOM 2514 CA ALA D 42 19.993 -6.032 1.209 1.00 0.00 C ATOM 2515 C ALA D 42 20.737 -7.158 1.910 1.00 0.00 C ATOM 2516 O ALA D 42 20.702 -7.212 3.155 1.00 0.00 O ATOM 2517 CB ALA D 42 19.884 -4.811 2.114 1.00 0.00 C ATOM 2518 OXT ALA D 42 21.326 -8.003 1.209 1.00 0.00 O ATOM 0 H ALA D 42 18.395 -7.373 1.232 1.00 0.00 H new ATOM 0 HA ALA D 42 20.553 -5.740 0.321 1.00 0.00 H new ATOM 0 HB1 ALA D 42 20.882 -4.484 2.405 1.00 0.00 H new ATOM 0 HB2 ALA D 42 19.380 -4.006 1.580 1.00 0.00 H new ATOM 0 HB3 ALA D 42 19.312 -5.069 3.005 1.00 0.00 H new