USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=4 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 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc=-0.00118 X(o=-0.0012,f=-0.0012) USER MOD Single : A 14 HIS : no HD1:sc= -0.127 X(o=-0.13,f=0) USER MOD Single : A 15 GLN : amide:sc= -0.0698 X(o=-0.07,f=-0.51) USER MOD Single : A 16 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0396) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 10 TYR OH : rot 180:sc= 0 USER MOD Single : C 13 HIS : no HD1:sc=-0.00183 X(o=-0.0018,f=-0.007) USER MOD Single : C 14 HIS : no HD1:sc= -0.156 X(o=-0.16,f=0) USER MOD Single : C 15 GLN : amide:sc= -0.0803 X(o=-0.08,f=-0.45) USER MOD Single : C 16 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.051) USER MOD Single : C 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : D 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 132 N TYR A 10 21.923 6.715 -5.091 1.00 0.00 N ATOM 133 CA TYR A 10 20.586 6.225 -4.806 1.00 0.00 C ATOM 134 C TYR A 10 19.631 6.579 -5.938 1.00 0.00 C ATOM 135 O TYR A 10 19.850 7.547 -6.667 1.00 0.00 O ATOM 136 CB TYR A 10 20.067 6.799 -3.478 1.00 0.00 C ATOM 137 CG TYR A 10 19.728 8.275 -3.524 1.00 0.00 C ATOM 138 CD1 TYR A 10 20.723 9.244 -3.474 1.00 0.00 C ATOM 139 CD2 TYR A 10 18.406 8.696 -3.615 1.00 0.00 C ATOM 140 CE1 TYR A 10 20.409 10.589 -3.513 1.00 0.00 C ATOM 141 CE2 TYR A 10 18.086 10.038 -3.655 1.00 0.00 C ATOM 142 CZ TYR A 10 19.090 10.981 -3.605 1.00 0.00 C ATOM 143 OH TYR A 10 18.775 12.319 -3.644 1.00 0.00 O ATOM 0 HA TYR A 10 20.637 5.140 -4.719 1.00 0.00 H new ATOM 0 HB2 TYR A 10 19.178 6.244 -3.179 1.00 0.00 H new ATOM 0 HB3 TYR A 10 20.820 6.635 -2.707 1.00 0.00 H new ATOM 0 HD1 TYR A 10 21.757 8.941 -3.404 1.00 0.00 H new ATOM 0 HD2 TYR A 10 17.616 7.960 -3.655 1.00 0.00 H new ATOM 0 HE1 TYR A 10 21.193 11.330 -3.472 1.00 0.00 H new ATOM 0 HE2 TYR A 10 17.054 10.348 -3.725 1.00 0.00 H new ATOM 0 HH TYR A 10 17.803 12.424 -3.710 1.00 0.00 H new ATOM 153 N GLU A 11 18.587 5.782 -6.078 1.00 0.00 N ATOM 154 CA GLU A 11 17.552 6.022 -7.068 1.00 0.00 C ATOM 155 C GLU A 11 16.184 5.920 -6.405 1.00 0.00 C ATOM 156 O GLU A 11 15.983 5.102 -5.503 1.00 0.00 O ATOM 157 CB GLU A 11 17.666 5.016 -8.216 1.00 0.00 C ATOM 158 CG GLU A 11 16.643 5.224 -9.324 1.00 0.00 C ATOM 159 CD GLU A 11 16.724 6.602 -9.946 1.00 0.00 C ATOM 160 OE1 GLU A 11 17.288 6.726 -11.050 1.00 0.00 O ATOM 161 OE2 GLU A 11 16.219 7.562 -9.328 1.00 0.00 O ATOM 0 H GLU A 11 18.433 4.950 -5.509 1.00 0.00 H new ATOM 0 HA GLU A 11 17.677 7.023 -7.481 1.00 0.00 H new ATOM 0 HB2 GLU A 11 18.667 5.079 -8.643 1.00 0.00 H new ATOM 0 HB3 GLU A 11 17.553 4.009 -7.815 1.00 0.00 H new ATOM 0 HG2 GLU A 11 16.794 4.472 -10.098 1.00 0.00 H new ATOM 0 HG3 GLU A 11 15.642 5.070 -8.921 1.00 0.00 H new ATOM 168 N VAL A 12 15.255 6.747 -6.850 1.00 0.00 N ATOM 169 CA VAL A 12 13.922 6.785 -6.272 1.00 0.00 C ATOM 170 C VAL A 12 12.859 6.626 -7.352 1.00 0.00 C ATOM 171 O VAL A 12 12.896 7.297 -8.384 1.00 0.00 O ATOM 172 CB VAL A 12 13.677 8.091 -5.482 1.00 0.00 C ATOM 173 CG1 VAL A 12 14.536 8.131 -4.229 1.00 0.00 C ATOM 174 CG2 VAL A 12 13.950 9.315 -6.345 1.00 0.00 C ATOM 0 H VAL A 12 15.400 7.406 -7.615 1.00 0.00 H new ATOM 0 HA VAL A 12 13.851 5.950 -5.576 1.00 0.00 H new ATOM 0 HB VAL A 12 12.628 8.108 -5.188 1.00 0.00 H new ATOM 0 HG11 VAL A 12 14.348 9.058 -3.688 1.00 0.00 H new ATOM 0 HG12 VAL A 12 14.289 7.282 -3.591 1.00 0.00 H new ATOM 0 HG13 VAL A 12 15.589 8.081 -4.508 1.00 0.00 H new ATOM 0 HG21 VAL A 12 13.769 10.218 -5.763 1.00 0.00 H new ATOM 0 HG22 VAL A 12 14.987 9.300 -6.679 1.00 0.00 H new ATOM 0 HG23 VAL A 12 13.289 9.304 -7.212 1.00 0.00 H new ATOM 184 N HIS A 13 11.916 5.726 -7.121 1.00 0.00 N ATOM 185 CA HIS A 13 10.880 5.452 -8.102 1.00 0.00 C ATOM 186 C HIS A 13 9.543 5.195 -7.418 1.00 0.00 C ATOM 187 O HIS A 13 9.493 4.645 -6.320 1.00 0.00 O ATOM 188 CB HIS A 13 11.275 4.242 -8.957 1.00 0.00 C ATOM 189 CG HIS A 13 10.354 3.984 -10.110 1.00 0.00 C ATOM 190 ND1 HIS A 13 9.429 2.965 -10.122 1.00 0.00 N ATOM 191 CD2 HIS A 13 10.223 4.621 -11.295 1.00 0.00 C ATOM 192 CE1 HIS A 13 8.770 2.986 -11.265 1.00 0.00 C ATOM 193 NE2 HIS A 13 9.232 3.982 -11.996 1.00 0.00 N ATOM 0 H HIS A 13 11.847 5.175 -6.265 1.00 0.00 H new ATOM 0 HA HIS A 13 10.774 6.325 -8.745 1.00 0.00 H new ATOM 0 HB2 HIS A 13 12.285 4.394 -9.339 1.00 0.00 H new ATOM 0 HB3 HIS A 13 11.304 3.356 -8.323 1.00 0.00 H new ATOM 0 HD2 HIS A 13 10.793 5.475 -11.628 1.00 0.00 H new ATOM 0 HE1 HIS A 13 7.985 2.303 -11.553 1.00 0.00 H new ATOM 0 HE2 HIS A 13 8.906 4.235 -12.929 1.00 0.00 H new ATOM 202 N HIS A 14 8.465 5.606 -8.068 1.00 0.00 N ATOM 203 CA HIS A 14 7.125 5.359 -7.563 1.00 0.00 C ATOM 204 C HIS A 14 6.194 5.008 -8.716 1.00 0.00 C ATOM 205 O HIS A 14 6.507 5.273 -9.877 1.00 0.00 O ATOM 206 CB HIS A 14 6.588 6.576 -6.790 1.00 0.00 C ATOM 207 CG HIS A 14 6.339 7.797 -7.632 1.00 0.00 C ATOM 208 ND1 HIS A 14 7.212 8.863 -7.698 1.00 0.00 N ATOM 209 CD2 HIS A 14 5.300 8.120 -8.437 1.00 0.00 C ATOM 210 CE1 HIS A 14 6.719 9.783 -8.506 1.00 0.00 C ATOM 211 NE2 HIS A 14 5.562 9.355 -8.966 1.00 0.00 N ATOM 0 H HIS A 14 8.494 6.115 -8.951 1.00 0.00 H new ATOM 0 HA HIS A 14 7.169 4.519 -6.870 1.00 0.00 H new ATOM 0 HB2 HIS A 14 5.657 6.295 -6.298 1.00 0.00 H new ATOM 0 HB3 HIS A 14 7.299 6.832 -6.004 1.00 0.00 H new ATOM 0 HD2 HIS A 14 4.426 7.515 -8.627 1.00 0.00 H new ATOM 0 HE1 HIS A 14 7.185 10.726 -8.749 1.00 0.00 H new ATOM 0 HE2 HIS A 14 4.958 9.862 -9.613 1.00 0.00 H new ATOM 220 N GLN A 15 5.064 4.408 -8.390 1.00 0.00 N ATOM 221 CA GLN A 15 4.057 4.062 -9.382 1.00 0.00 C ATOM 222 C GLN A 15 2.684 4.032 -8.723 1.00 0.00 C ATOM 223 O GLN A 15 2.559 3.637 -7.565 1.00 0.00 O ATOM 224 CB GLN A 15 4.372 2.701 -10.014 1.00 0.00 C ATOM 225 CG GLN A 15 3.384 2.287 -11.093 1.00 0.00 C ATOM 226 CD GLN A 15 3.658 0.900 -11.640 1.00 0.00 C ATOM 227 OE1 GLN A 15 4.801 0.445 -11.679 1.00 0.00 O ATOM 228 NE2 GLN A 15 2.608 0.219 -12.070 1.00 0.00 N ATOM 0 H GLN A 15 4.817 4.147 -7.435 1.00 0.00 H new ATOM 0 HA GLN A 15 4.061 4.814 -10.171 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.374 2.732 -10.443 1.00 0.00 H new ATOM 0 HB3 GLN A 15 4.383 1.941 -9.233 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.374 2.319 -10.685 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.421 3.008 -11.909 1.00 0.00 H new ATOM 0 HE21 GLN A 15 1.677 0.632 -12.020 1.00 0.00 H new ATOM 0 HE22 GLN A 15 2.730 -0.719 -12.451 1.00 0.00 H new ATOM 237 N LYS A 16 1.664 4.466 -9.442 1.00 0.00 N ATOM 238 CA LYS A 16 0.309 4.446 -8.916 1.00 0.00 C ATOM 239 C LYS A 16 -0.679 4.008 -9.986 1.00 0.00 C ATOM 240 O LYS A 16 -0.580 4.412 -11.144 1.00 0.00 O ATOM 241 CB LYS A 16 -0.072 5.822 -8.358 1.00 0.00 C ATOM 242 CG LYS A 16 -0.017 6.950 -9.378 1.00 0.00 C ATOM 243 CD LYS A 16 -0.199 8.308 -8.716 1.00 0.00 C ATOM 244 CE LYS A 16 -1.563 8.451 -8.054 1.00 0.00 C ATOM 245 NZ LYS A 16 -2.671 8.462 -9.044 1.00 0.00 N ATOM 0 H LYS A 16 1.747 4.836 -10.389 1.00 0.00 H new ATOM 0 HA LYS A 16 0.270 3.722 -8.102 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.080 5.768 -7.948 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.596 6.063 -7.531 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.939 6.924 -9.900 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.794 6.802 -10.128 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.582 8.453 -7.969 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.076 9.093 -9.462 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.713 7.629 -7.354 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.588 9.373 -7.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.568 8.663 -8.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.492 9.197 -9.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.729 7.534 -9.510 1.00 0.00 H new ATOM 259 N LEU A 17 -1.613 3.158 -9.593 1.00 0.00 N ATOM 260 CA LEU A 17 -2.646 2.670 -10.494 1.00 0.00 C ATOM 261 C LEU A 17 -4.002 2.721 -9.807 1.00 0.00 C ATOM 262 O LEU A 17 -4.134 2.320 -8.649 1.00 0.00 O ATOM 263 CB LEU A 17 -2.345 1.233 -10.937 1.00 0.00 C ATOM 264 CG LEU A 17 -1.082 1.050 -11.784 1.00 0.00 C ATOM 265 CD1 LEU A 17 -0.822 -0.428 -12.029 1.00 0.00 C ATOM 266 CD2 LEU A 17 -1.211 1.792 -13.108 1.00 0.00 C ATOM 0 H LEU A 17 -1.677 2.788 -8.645 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.663 3.311 -11.376 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.257 0.609 -10.048 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.198 0.861 -11.505 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.237 1.468 -11.237 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.078 -0.544 -12.632 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.687 -0.937 -11.075 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.670 -0.864 -12.556 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.304 1.649 -13.695 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.066 1.403 -13.661 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.356 2.855 -12.917 1.00 0.00 H new ATOM 278 N VAL A 18 -5.001 3.222 -10.512 1.00 0.00 N ATOM 279 CA VAL A 18 -6.351 3.295 -9.976 1.00 0.00 C ATOM 280 C VAL A 18 -7.335 2.608 -10.912 1.00 0.00 C ATOM 281 O VAL A 18 -7.273 2.772 -12.131 1.00 0.00 O ATOM 282 CB VAL A 18 -6.802 4.753 -9.719 1.00 0.00 C ATOM 283 CG1 VAL A 18 -5.976 5.385 -8.608 1.00 0.00 C ATOM 284 CG2 VAL A 18 -6.712 5.588 -10.988 1.00 0.00 C ATOM 0 H VAL A 18 -4.903 3.586 -11.460 1.00 0.00 H new ATOM 0 HA VAL A 18 -6.340 2.778 -9.016 1.00 0.00 H new ATOM 0 HB VAL A 18 -7.845 4.727 -9.404 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -6.310 6.410 -8.444 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.102 4.811 -7.690 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -4.924 5.388 -8.893 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -7.035 6.607 -10.777 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.682 5.600 -11.343 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -7.355 5.155 -11.755 1.00 0.00 H new ATOM 294 N PHE A 19 -8.227 1.818 -10.339 1.00 0.00 N ATOM 295 CA PHE A 19 -9.202 1.074 -11.118 1.00 0.00 C ATOM 296 C PHE A 19 -10.590 1.259 -10.526 1.00 0.00 C ATOM 297 O PHE A 19 -10.765 1.193 -9.309 1.00 0.00 O ATOM 298 CB PHE A 19 -8.853 -0.419 -11.143 1.00 0.00 C ATOM 299 CG PHE A 19 -7.454 -0.717 -11.607 1.00 0.00 C ATOM 300 CD1 PHE A 19 -7.170 -0.840 -12.957 1.00 0.00 C ATOM 301 CD2 PHE A 19 -6.425 -0.879 -10.691 1.00 0.00 C ATOM 302 CE1 PHE A 19 -5.886 -1.118 -13.385 1.00 0.00 C ATOM 303 CE2 PHE A 19 -5.140 -1.156 -11.114 1.00 0.00 C ATOM 304 CZ PHE A 19 -4.869 -1.276 -12.462 1.00 0.00 C ATOM 0 H PHE A 19 -8.296 1.675 -9.331 1.00 0.00 H new ATOM 0 HA PHE A 19 -9.186 1.456 -12.139 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -8.987 -0.829 -10.142 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -9.558 -0.935 -11.795 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -7.960 -0.717 -13.683 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -6.631 -0.787 -9.635 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.677 -1.212 -14.440 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.348 -1.279 -10.391 1.00 0.00 H new ATOM 0 HZ PHE A 19 -3.865 -1.493 -12.795 1.00 0.00 H new ATOM 314 N PHE A 20 -11.571 1.500 -11.375 1.00 0.00 N ATOM 315 CA PHE A 20 -12.943 1.638 -10.924 1.00 0.00 C ATOM 316 C PHE A 20 -13.876 0.849 -11.826 1.00 0.00 C ATOM 317 O PHE A 20 -13.819 0.970 -13.050 1.00 0.00 O ATOM 318 CB PHE A 20 -13.365 3.109 -10.893 1.00 0.00 C ATOM 319 CG PHE A 20 -14.757 3.318 -10.362 1.00 0.00 C ATOM 320 CD1 PHE A 20 -15.824 3.523 -11.225 1.00 0.00 C ATOM 321 CD2 PHE A 20 -14.999 3.297 -8.999 1.00 0.00 C ATOM 322 CE1 PHE A 20 -17.103 3.702 -10.736 1.00 0.00 C ATOM 323 CE2 PHE A 20 -16.276 3.477 -8.503 1.00 0.00 C ATOM 324 CZ PHE A 20 -17.330 3.680 -9.374 1.00 0.00 C ATOM 0 H PHE A 20 -11.443 1.604 -12.382 1.00 0.00 H new ATOM 0 HA PHE A 20 -13.007 1.241 -9.911 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -12.661 3.669 -10.277 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -13.303 3.519 -11.901 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -15.652 3.543 -12.291 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -14.179 3.138 -8.315 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -17.925 3.859 -11.418 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -16.450 3.459 -7.437 1.00 0.00 H new ATOM 0 HZ PHE A 20 -18.329 3.821 -8.990 1.00 0.00 H new ATOM 334 N ALA A 21 -14.728 0.040 -11.222 1.00 0.00 N ATOM 335 CA ALA A 21 -15.714 -0.720 -11.967 1.00 0.00 C ATOM 336 C ALA A 21 -17.062 -0.670 -11.269 1.00 0.00 C ATOM 337 O ALA A 21 -17.161 -0.939 -10.073 1.00 0.00 O ATOM 338 CB ALA A 21 -15.260 -2.160 -12.138 1.00 0.00 C ATOM 0 H ALA A 21 -14.756 -0.107 -10.213 1.00 0.00 H new ATOM 0 HA ALA A 21 -15.818 -0.271 -12.955 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -16.012 -2.714 -12.699 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -14.314 -2.181 -12.680 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -15.127 -2.618 -11.158 1.00 0.00 H new ATOM 441 N GLY A 29 -20.692 -0.810 -6.900 1.00 0.00 N ATOM 442 CA GLY A 29 -19.464 -0.990 -7.650 1.00 0.00 C ATOM 443 C GLY A 29 -18.258 -1.251 -6.768 1.00 0.00 C ATOM 444 O GLY A 29 -18.393 -1.480 -5.571 1.00 0.00 O ATOM 0 HA2 GLY A 29 -19.587 -1.823 -8.342 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -19.280 -0.100 -8.252 1.00 0.00 H new ATOM 448 N ALA A 30 -17.076 -1.215 -7.366 1.00 0.00 N ATOM 449 CA ALA A 30 -15.841 -1.467 -6.642 1.00 0.00 C ATOM 450 C ALA A 30 -14.734 -0.538 -7.122 1.00 0.00 C ATOM 451 O ALA A 30 -14.614 -0.265 -8.319 1.00 0.00 O ATOM 452 CB ALA A 30 -15.418 -2.920 -6.812 1.00 0.00 C ATOM 0 H ALA A 30 -16.947 -1.012 -8.357 1.00 0.00 H new ATOM 0 HA ALA A 30 -16.018 -1.272 -5.584 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -14.492 -3.096 -6.265 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -16.199 -3.574 -6.423 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -15.260 -3.132 -7.870 1.00 0.00 H new ATOM 458 N ILE A 31 -13.934 -0.050 -6.185 1.00 0.00 N ATOM 459 CA ILE A 31 -12.825 0.836 -6.509 1.00 0.00 C ATOM 460 C ILE A 31 -11.514 0.278 -5.949 1.00 0.00 C ATOM 461 O ILE A 31 -11.454 -0.163 -4.798 1.00 0.00 O ATOM 462 CB ILE A 31 -13.072 2.269 -5.976 1.00 0.00 C ATOM 463 CG1 ILE A 31 -11.918 3.197 -6.368 1.00 0.00 C ATOM 464 CG2 ILE A 31 -13.271 2.261 -4.465 1.00 0.00 C ATOM 465 CD1 ILE A 31 -12.126 4.638 -5.952 1.00 0.00 C ATOM 0 H ILE A 31 -14.033 -0.254 -5.190 1.00 0.00 H new ATOM 0 HA ILE A 31 -12.750 0.892 -7.595 1.00 0.00 H new ATOM 0 HB ILE A 31 -13.986 2.648 -6.433 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -10.997 2.827 -5.917 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -11.782 3.156 -7.449 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -13.443 3.279 -4.115 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -14.132 1.641 -4.215 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -12.381 1.857 -3.983 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -11.268 5.234 -6.263 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -13.028 5.026 -6.424 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -12.231 4.692 -4.868 1.00 0.00 H new ATOM 477 N ILE A 32 -10.475 0.282 -6.775 1.00 0.00 N ATOM 478 CA ILE A 32 -9.177 -0.260 -6.393 1.00 0.00 C ATOM 479 C ILE A 32 -8.087 0.791 -6.583 1.00 0.00 C ATOM 480 O ILE A 32 -8.094 1.530 -7.569 1.00 0.00 O ATOM 481 CB ILE A 32 -8.814 -1.504 -7.238 1.00 0.00 C ATOM 482 CG1 ILE A 32 -9.940 -2.538 -7.189 1.00 0.00 C ATOM 483 CG2 ILE A 32 -7.509 -2.121 -6.754 1.00 0.00 C ATOM 484 CD1 ILE A 32 -9.716 -3.722 -8.105 1.00 0.00 C ATOM 0 H ILE A 32 -10.507 0.658 -7.722 1.00 0.00 H new ATOM 0 HA ILE A 32 -9.243 -0.548 -5.344 1.00 0.00 H new ATOM 0 HB ILE A 32 -8.683 -1.184 -8.272 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -10.048 -2.897 -6.165 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -10.879 -2.054 -7.458 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -7.272 -2.994 -7.362 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -6.706 -1.389 -6.842 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -7.613 -2.422 -5.712 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -10.554 -4.413 -8.017 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -9.638 -3.375 -9.135 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -8.795 -4.231 -7.823 1.00 0.00 H new ATOM 496 N GLY A 33 -7.166 0.864 -5.635 1.00 0.00 N ATOM 497 CA GLY A 33 -6.044 1.771 -5.756 1.00 0.00 C ATOM 498 C GLY A 33 -4.746 1.120 -5.326 1.00 0.00 C ATOM 499 O GLY A 33 -4.668 0.546 -4.240 1.00 0.00 O ATOM 0 H GLY A 33 -7.176 0.308 -4.780 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -5.958 2.106 -6.789 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -6.225 2.657 -5.147 1.00 0.00 H new ATOM 503 N LEU A 34 -3.738 1.199 -6.179 1.00 0.00 N ATOM 504 CA LEU A 34 -2.441 0.600 -5.897 1.00 0.00 C ATOM 505 C LEU A 34 -1.351 1.666 -5.912 1.00 0.00 C ATOM 506 O LEU A 34 -1.179 2.376 -6.902 1.00 0.00 O ATOM 507 CB LEU A 34 -2.127 -0.487 -6.931 1.00 0.00 C ATOM 508 CG LEU A 34 -0.779 -1.190 -6.756 1.00 0.00 C ATOM 509 CD1 LEU A 34 -0.744 -1.979 -5.456 1.00 0.00 C ATOM 510 CD2 LEU A 34 -0.497 -2.099 -7.943 1.00 0.00 C ATOM 0 H LEU A 34 -3.793 1.675 -7.079 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.474 0.147 -4.906 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.916 -1.238 -6.895 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.158 -0.039 -7.924 1.00 0.00 H new ATOM 0 HG LEU A 34 0.000 -0.429 -6.710 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.224 -2.470 -5.354 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.898 -1.302 -4.615 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.533 -2.731 -5.466 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.465 -2.592 -7.803 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.282 -2.851 -8.020 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.472 -1.506 -8.857 1.00 0.00 H new ATOM 522 N MET A 35 -0.627 1.777 -4.807 1.00 0.00 N ATOM 523 CA MET A 35 0.453 2.748 -4.687 1.00 0.00 C ATOM 524 C MET A 35 1.771 2.030 -4.423 1.00 0.00 C ATOM 525 O MET A 35 1.887 1.258 -3.469 1.00 0.00 O ATOM 526 CB MET A 35 0.167 3.736 -3.551 1.00 0.00 C ATOM 527 CG MET A 35 -1.178 4.436 -3.665 1.00 0.00 C ATOM 528 SD MET A 35 -1.323 5.446 -5.151 1.00 0.00 S ATOM 529 CE MET A 35 -3.008 6.031 -4.995 1.00 0.00 C ATOM 0 H MET A 35 -0.769 1.203 -3.976 1.00 0.00 H new ATOM 0 HA MET A 35 0.524 3.302 -5.623 1.00 0.00 H new ATOM 0 HB2 MET A 35 0.209 3.203 -2.601 1.00 0.00 H new ATOM 0 HB3 MET A 35 0.956 4.488 -3.530 1.00 0.00 H new ATOM 0 HG2 MET A 35 -1.972 3.689 -3.661 1.00 0.00 H new ATOM 0 HG3 MET A 35 -1.329 5.066 -2.788 1.00 0.00 H new ATOM 0 HE1 MET A 35 -3.251 6.672 -5.843 1.00 0.00 H new ATOM 0 HE2 MET A 35 -3.689 5.180 -4.977 1.00 0.00 H new ATOM 0 HE3 MET A 35 -3.112 6.598 -4.070 1.00 0.00 H new ATOM 539 N VAL A 36 2.756 2.272 -5.275 1.00 0.00 N ATOM 540 CA VAL A 36 4.054 1.626 -5.156 1.00 0.00 C ATOM 541 C VAL A 36 5.165 2.660 -4.998 1.00 0.00 C ATOM 542 O VAL A 36 5.170 3.687 -5.676 1.00 0.00 O ATOM 543 CB VAL A 36 4.360 0.749 -6.391 1.00 0.00 C ATOM 544 CG1 VAL A 36 5.721 0.079 -6.260 1.00 0.00 C ATOM 545 CG2 VAL A 36 3.265 -0.287 -6.604 1.00 0.00 C ATOM 0 H VAL A 36 2.679 2.916 -6.062 1.00 0.00 H new ATOM 0 HA VAL A 36 4.015 0.994 -4.269 1.00 0.00 H new ATOM 0 HB VAL A 36 4.388 1.398 -7.266 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.912 -0.532 -7.142 1.00 0.00 H new ATOM 0 HG12 VAL A 36 6.495 0.841 -6.172 1.00 0.00 H new ATOM 0 HG13 VAL A 36 5.732 -0.553 -5.372 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.502 -0.892 -7.479 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.196 -0.929 -5.726 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.312 0.218 -6.760 1.00 0.00 H new ATOM 555 N GLY A 37 6.091 2.383 -4.092 1.00 0.00 N ATOM 556 CA GLY A 37 7.249 3.235 -3.910 1.00 0.00 C ATOM 557 C GLY A 37 8.498 2.416 -3.666 1.00 0.00 C ATOM 558 O GLY A 37 8.475 1.464 -2.883 1.00 0.00 O ATOM 0 H GLY A 37 6.060 1.573 -3.473 1.00 0.00 H new ATOM 0 HA2 GLY A 37 7.387 3.859 -4.793 1.00 0.00 H new ATOM 0 HA3 GLY A 37 7.081 3.907 -3.068 1.00 0.00 H new ATOM 562 N GLY A 38 9.583 2.762 -4.342 1.00 0.00 N ATOM 563 CA GLY A 38 10.811 2.011 -4.197 1.00 0.00 C ATOM 564 C GLY A 38 12.041 2.893 -4.164 1.00 0.00 C ATOM 565 O GLY A 38 12.116 3.900 -4.872 1.00 0.00 O ATOM 0 H GLY A 38 9.635 3.549 -4.988 1.00 0.00 H new ATOM 0 HA2 GLY A 38 10.766 1.425 -3.279 1.00 0.00 H new ATOM 0 HA3 GLY A 38 10.899 1.305 -5.023 1.00 0.00 H new ATOM 569 N VAL A 39 13.004 2.513 -3.336 1.00 0.00 N ATOM 570 CA VAL A 39 14.260 3.242 -3.219 1.00 0.00 C ATOM 571 C VAL A 39 15.434 2.280 -3.369 1.00 0.00 C ATOM 572 O VAL A 39 15.485 1.240 -2.707 1.00 0.00 O ATOM 573 CB VAL A 39 14.373 3.981 -1.863 1.00 0.00 C ATOM 574 CG1 VAL A 39 15.689 4.740 -1.767 1.00 0.00 C ATOM 575 CG2 VAL A 39 13.201 4.930 -1.662 1.00 0.00 C ATOM 0 H VAL A 39 12.938 1.696 -2.729 1.00 0.00 H new ATOM 0 HA VAL A 39 14.282 3.988 -4.014 1.00 0.00 H new ATOM 0 HB VAL A 39 14.348 3.231 -1.072 1.00 0.00 H new ATOM 0 HG11 VAL A 39 15.745 5.251 -0.806 1.00 0.00 H new ATOM 0 HG12 VAL A 39 16.520 4.040 -1.855 1.00 0.00 H new ATOM 0 HG13 VAL A 39 15.746 5.473 -2.571 1.00 0.00 H new ATOM 0 HG21 VAL A 39 13.304 5.437 -0.702 1.00 0.00 H new ATOM 0 HG22 VAL A 39 13.190 5.669 -2.463 1.00 0.00 H new ATOM 0 HG23 VAL A 39 12.269 4.365 -1.676 1.00 0.00 H new ATOM 585 N VAL A 40 16.361 2.619 -4.251 1.00 0.00 N ATOM 586 CA VAL A 40 17.542 1.800 -4.477 1.00 0.00 C ATOM 587 C VAL A 40 18.792 2.547 -4.033 1.00 0.00 C ATOM 588 O VAL A 40 19.054 3.649 -4.502 1.00 0.00 O ATOM 589 CB VAL A 40 17.690 1.416 -5.966 1.00 0.00 C ATOM 590 CG1 VAL A 40 18.919 0.544 -6.180 1.00 0.00 C ATOM 591 CG2 VAL A 40 16.437 0.713 -6.472 1.00 0.00 C ATOM 0 H VAL A 40 16.318 3.461 -4.825 1.00 0.00 H new ATOM 0 HA VAL A 40 17.423 0.888 -3.892 1.00 0.00 H new ATOM 0 HB VAL A 40 17.820 2.334 -6.540 1.00 0.00 H new ATOM 0 HG11 VAL A 40 19.003 0.286 -7.236 1.00 0.00 H new ATOM 0 HG12 VAL A 40 19.810 1.088 -5.868 1.00 0.00 H new ATOM 0 HG13 VAL A 40 18.825 -0.368 -5.590 1.00 0.00 H new ATOM 0 HG21 VAL A 40 16.565 0.452 -7.523 1.00 0.00 H new ATOM 0 HG22 VAL A 40 16.269 -0.194 -5.891 1.00 0.00 H new ATOM 0 HG23 VAL A 40 15.579 1.377 -6.365 1.00 0.00 H new ATOM 601 N ILE A 41 19.548 1.959 -3.121 1.00 0.00 N ATOM 602 CA ILE A 41 20.787 2.570 -2.659 1.00 0.00 C ATOM 603 C ILE A 41 21.978 1.677 -2.989 1.00 0.00 C ATOM 604 O ILE A 41 21.940 0.469 -2.760 1.00 0.00 O ATOM 605 CB ILE A 41 20.752 2.865 -1.141 1.00 0.00 C ATOM 606 CG1 ILE A 41 20.397 1.605 -0.346 1.00 0.00 C ATOM 607 CG2 ILE A 41 19.760 3.982 -0.848 1.00 0.00 C ATOM 608 CD1 ILE A 41 20.390 1.814 1.153 1.00 0.00 C ATOM 0 H ILE A 41 19.328 1.063 -2.686 1.00 0.00 H new ATOM 0 HA ILE A 41 20.894 3.520 -3.182 1.00 0.00 H new ATOM 0 HB ILE A 41 21.745 3.188 -0.830 1.00 0.00 H new ATOM 0 HG12 ILE A 41 19.414 1.253 -0.660 1.00 0.00 H new ATOM 0 HG13 ILE A 41 21.111 0.818 -0.591 1.00 0.00 H new ATOM 0 HG21 ILE A 41 19.743 4.182 0.223 1.00 0.00 H new ATOM 0 HG22 ILE A 41 20.060 4.884 -1.381 1.00 0.00 H new ATOM 0 HG23 ILE A 41 18.765 3.681 -1.177 1.00 0.00 H new ATOM 0 HD11 ILE A 41 20.130 0.879 1.650 1.00 0.00 H new ATOM 0 HD12 ILE A 41 21.379 2.136 1.480 1.00 0.00 H new ATOM 0 HD13 ILE A 41 19.656 2.578 1.410 1.00 0.00 H new ATOM 1079 N ALA B 30 21.167 -1.997 -1.680 1.00 0.00 N ATOM 1080 CA ALA B 30 19.904 -2.460 -1.128 1.00 0.00 C ATOM 1081 C ALA B 30 18.725 -1.843 -1.870 1.00 0.00 C ATOM 1082 O ALA B 30 18.707 -0.642 -2.148 1.00 0.00 O ATOM 1083 CB ALA B 30 19.824 -2.136 0.357 1.00 0.00 C ATOM 0 HA ALA B 30 19.855 -3.542 -1.254 1.00 0.00 H new ATOM 0 HB1 ALA B 30 18.873 -2.489 0.756 1.00 0.00 H new ATOM 0 HB2 ALA B 30 20.643 -2.629 0.882 1.00 0.00 H new ATOM 0 HB3 ALA B 30 19.899 -1.058 0.499 1.00 0.00 H new ATOM 1089 N ILE B 31 17.753 -2.678 -2.199 1.00 0.00 N ATOM 1090 CA ILE B 31 16.548 -2.238 -2.885 1.00 0.00 C ATOM 1091 C ILE B 31 15.328 -2.442 -1.995 1.00 0.00 C ATOM 1092 O ILE B 31 14.976 -3.574 -1.665 1.00 0.00 O ATOM 1093 CB ILE B 31 16.342 -3.015 -4.202 1.00 0.00 C ATOM 1094 CG1 ILE B 31 17.542 -2.818 -5.132 1.00 0.00 C ATOM 1095 CG2 ILE B 31 15.051 -2.578 -4.886 1.00 0.00 C ATOM 1096 CD1 ILE B 31 17.469 -3.631 -6.407 1.00 0.00 C ATOM 0 H ILE B 31 17.776 -3.678 -1.999 1.00 0.00 H new ATOM 0 HA ILE B 31 16.667 -1.179 -3.113 1.00 0.00 H new ATOM 0 HB ILE B 31 16.260 -4.076 -3.968 1.00 0.00 H new ATOM 0 HG12 ILE B 31 17.620 -1.762 -5.390 1.00 0.00 H new ATOM 0 HG13 ILE B 31 18.453 -3.083 -4.595 1.00 0.00 H new ATOM 0 HG21 ILE B 31 14.923 -3.137 -5.813 1.00 0.00 H new ATOM 0 HG22 ILE B 31 14.206 -2.772 -4.226 1.00 0.00 H new ATOM 0 HG23 ILE B 31 15.100 -1.512 -5.109 1.00 0.00 H new ATOM 0 HD11 ILE B 31 18.354 -3.438 -7.013 1.00 0.00 H new ATOM 0 HD12 ILE B 31 17.423 -4.692 -6.160 1.00 0.00 H new ATOM 0 HD13 ILE B 31 16.577 -3.350 -6.967 1.00 0.00 H new ATOM 1108 N ILE B 32 14.695 -1.352 -1.599 1.00 0.00 N ATOM 1109 CA ILE B 32 13.487 -1.435 -0.794 1.00 0.00 C ATOM 1110 C ILE B 32 12.276 -1.061 -1.644 1.00 0.00 C ATOM 1111 O ILE B 32 12.266 -0.028 -2.317 1.00 0.00 O ATOM 1112 CB ILE B 32 13.586 -0.540 0.478 1.00 0.00 C ATOM 1113 CG1 ILE B 32 12.373 -0.735 1.414 1.00 0.00 C ATOM 1114 CG2 ILE B 32 13.748 0.930 0.108 1.00 0.00 C ATOM 1115 CD1 ILE B 32 11.125 0.041 1.023 1.00 0.00 C ATOM 0 H ILE B 32 14.995 -0.402 -1.820 1.00 0.00 H new ATOM 0 HA ILE B 32 13.369 -2.462 -0.449 1.00 0.00 H new ATOM 0 HB ILE B 32 14.477 -0.856 1.021 1.00 0.00 H new ATOM 0 HG12 ILE B 32 12.126 -1.796 1.447 1.00 0.00 H new ATOM 0 HG13 ILE B 32 12.662 -0.443 2.424 1.00 0.00 H new ATOM 0 HG21 ILE B 32 13.814 1.529 1.016 1.00 0.00 H new ATOM 0 HG22 ILE B 32 14.657 1.059 -0.479 1.00 0.00 H new ATOM 0 HG23 ILE B 32 12.888 1.254 -0.478 1.00 0.00 H new ATOM 0 HD11 ILE B 32 10.330 -0.162 1.741 1.00 0.00 H new ATOM 0 HD12 ILE B 32 11.346 1.108 1.019 1.00 0.00 H new ATOM 0 HD13 ILE B 32 10.802 -0.266 0.028 1.00 0.00 H new ATOM 1127 N GLY B 33 11.273 -1.922 -1.637 1.00 0.00 N ATOM 1128 CA GLY B 33 10.060 -1.649 -2.372 1.00 0.00 C ATOM 1129 C GLY B 33 8.828 -1.853 -1.520 1.00 0.00 C ATOM 1130 O GLY B 33 8.688 -2.881 -0.859 1.00 0.00 O ATOM 0 H GLY B 33 11.278 -2.809 -1.133 1.00 0.00 H new ATOM 0 HA2 GLY B 33 10.081 -0.623 -2.740 1.00 0.00 H new ATOM 0 HA3 GLY B 33 10.010 -2.300 -3.245 1.00 0.00 H new ATOM 1134 N LEU B 34 7.946 -0.870 -1.521 1.00 0.00 N ATOM 1135 CA LEU B 34 6.706 -0.954 -0.770 1.00 0.00 C ATOM 1136 C LEU B 34 5.517 -0.808 -1.707 1.00 0.00 C ATOM 1137 O LEU B 34 5.443 0.144 -2.488 1.00 0.00 O ATOM 1138 CB LEU B 34 6.657 0.126 0.316 1.00 0.00 C ATOM 1139 CG LEU B 34 5.368 0.165 1.144 1.00 0.00 C ATOM 1140 CD1 LEU B 34 5.169 -1.138 1.902 1.00 0.00 C ATOM 1141 CD2 LEU B 34 5.389 1.341 2.107 1.00 0.00 C ATOM 0 H LEU B 34 8.067 0.001 -2.037 1.00 0.00 H new ATOM 0 HA LEU B 34 6.660 -1.930 -0.287 1.00 0.00 H new ATOM 0 HB2 LEU B 34 7.499 -0.023 0.992 1.00 0.00 H new ATOM 0 HB3 LEU B 34 6.796 1.099 -0.156 1.00 0.00 H new ATOM 0 HG LEU B 34 4.530 0.291 0.459 1.00 0.00 H new ATOM 0 HD11 LEU B 34 4.247 -1.085 2.482 1.00 0.00 H new ATOM 0 HD12 LEU B 34 5.105 -1.965 1.194 1.00 0.00 H new ATOM 0 HD13 LEU B 34 6.012 -1.300 2.574 1.00 0.00 H new ATOM 0 HD21 LEU B 34 4.466 1.353 2.687 1.00 0.00 H new ATOM 0 HD22 LEU B 34 6.240 1.244 2.781 1.00 0.00 H new ATOM 0 HD23 LEU B 34 5.476 2.270 1.544 1.00 0.00 H new ATOM 1153 N MET B 35 4.602 -1.758 -1.639 1.00 0.00 N ATOM 1154 CA MET B 35 3.406 -1.728 -2.462 1.00 0.00 C ATOM 1155 C MET B 35 2.172 -1.805 -1.580 1.00 0.00 C ATOM 1156 O MET B 35 1.994 -2.763 -0.830 1.00 0.00 O ATOM 1157 CB MET B 35 3.407 -2.896 -3.450 1.00 0.00 C ATOM 1158 CG MET B 35 4.625 -2.934 -4.355 1.00 0.00 C ATOM 1159 SD MET B 35 4.587 -4.305 -5.521 1.00 0.00 S ATOM 1160 CE MET B 35 6.140 -4.053 -6.376 1.00 0.00 C ATOM 0 H MET B 35 4.665 -2.565 -1.018 1.00 0.00 H new ATOM 0 HA MET B 35 3.393 -0.794 -3.023 1.00 0.00 H new ATOM 0 HB2 MET B 35 3.351 -3.831 -2.892 1.00 0.00 H new ATOM 0 HB3 MET B 35 2.510 -2.839 -4.066 1.00 0.00 H new ATOM 0 HG2 MET B 35 4.691 -1.996 -4.906 1.00 0.00 H new ATOM 0 HG3 MET B 35 5.524 -3.008 -3.743 1.00 0.00 H new ATOM 0 HE1 MET B 35 6.267 -4.825 -7.135 1.00 0.00 H new ATOM 0 HE2 MET B 35 6.138 -3.073 -6.852 1.00 0.00 H new ATOM 0 HE3 MET B 35 6.962 -4.108 -5.662 1.00 0.00 H new ATOM 1170 N VAL B 36 1.323 -0.799 -1.663 1.00 0.00 N ATOM 1171 CA VAL B 36 0.104 -0.777 -0.876 1.00 0.00 C ATOM 1172 C VAL B 36 -1.112 -0.698 -1.789 1.00 0.00 C ATOM 1173 O VAL B 36 -1.182 0.146 -2.683 1.00 0.00 O ATOM 1174 CB VAL B 36 0.093 0.394 0.142 1.00 0.00 C ATOM 1175 CG1 VAL B 36 1.215 0.231 1.157 1.00 0.00 C ATOM 1176 CG2 VAL B 36 0.210 1.741 -0.554 1.00 0.00 C ATOM 0 H VAL B 36 1.454 0.013 -2.266 1.00 0.00 H new ATOM 0 HA VAL B 36 0.064 -1.705 -0.306 1.00 0.00 H new ATOM 0 HB VAL B 36 -0.864 0.366 0.663 1.00 0.00 H new ATOM 0 HG11 VAL B 36 1.191 1.062 1.862 1.00 0.00 H new ATOM 0 HG12 VAL B 36 1.084 -0.707 1.696 1.00 0.00 H new ATOM 0 HG13 VAL B 36 2.175 0.222 0.640 1.00 0.00 H new ATOM 0 HG21 VAL B 36 0.199 2.537 0.190 1.00 0.00 H new ATOM 0 HG22 VAL B 36 1.144 1.781 -1.114 1.00 0.00 H new ATOM 0 HG23 VAL B 36 -0.629 1.871 -1.237 1.00 0.00 H new ATOM 1186 N GLY B 37 -2.052 -1.601 -1.584 1.00 0.00 N ATOM 1187 CA GLY B 37 -3.235 -1.630 -2.411 1.00 0.00 C ATOM 1188 C GLY B 37 -4.499 -1.701 -1.587 1.00 0.00 C ATOM 1189 O GLY B 37 -4.584 -2.471 -0.631 1.00 0.00 O ATOM 0 H GLY B 37 -2.017 -2.317 -0.858 1.00 0.00 H new ATOM 0 HA2 GLY B 37 -3.261 -0.739 -3.039 1.00 0.00 H new ATOM 0 HA3 GLY B 37 -3.189 -2.490 -3.080 1.00 0.00 H new ATOM 1193 N GLY B 38 -5.478 -0.900 -1.956 1.00 0.00 N ATOM 1194 CA GLY B 38 -6.733 -0.885 -1.243 1.00 0.00 C ATOM 1195 C GLY B 38 -7.906 -1.045 -2.180 1.00 0.00 C ATOM 1196 O GLY B 38 -7.885 -0.530 -3.300 1.00 0.00 O ATOM 0 H GLY B 38 -5.426 -0.254 -2.743 1.00 0.00 H new ATOM 0 HA2 GLY B 38 -6.743 -1.688 -0.506 1.00 0.00 H new ATOM 0 HA3 GLY B 38 -6.830 0.052 -0.695 1.00 0.00 H new ATOM 1200 N VAL B 39 -8.919 -1.765 -1.735 1.00 0.00 N ATOM 1201 CA VAL B 39 -10.104 -1.989 -2.541 1.00 0.00 C ATOM 1202 C VAL B 39 -11.367 -1.825 -1.704 1.00 0.00 C ATOM 1203 O VAL B 39 -11.466 -2.348 -0.591 1.00 0.00 O ATOM 1204 CB VAL B 39 -10.086 -3.388 -3.209 1.00 0.00 C ATOM 1205 CG1 VAL B 39 -9.921 -4.494 -2.173 1.00 0.00 C ATOM 1206 CG2 VAL B 39 -11.348 -3.608 -4.030 1.00 0.00 C ATOM 0 H VAL B 39 -8.944 -2.206 -0.816 1.00 0.00 H new ATOM 0 HA VAL B 39 -10.104 -1.238 -3.331 1.00 0.00 H new ATOM 0 HB VAL B 39 -9.227 -3.426 -3.878 1.00 0.00 H new ATOM 0 HG11 VAL B 39 -9.912 -5.463 -2.673 1.00 0.00 H new ATOM 0 HG12 VAL B 39 -8.982 -4.354 -1.637 1.00 0.00 H new ATOM 0 HG13 VAL B 39 -10.751 -4.458 -1.467 1.00 0.00 H new ATOM 0 HG21 VAL B 39 -11.315 -4.596 -4.490 1.00 0.00 H new ATOM 0 HG22 VAL B 39 -12.221 -3.539 -3.381 1.00 0.00 H new ATOM 0 HG23 VAL B 39 -11.413 -2.847 -4.808 1.00 0.00 H new ATOM 1216 N VAL B 40 -12.315 -1.070 -2.230 1.00 0.00 N ATOM 1217 CA VAL B 40 -13.607 -0.907 -1.589 1.00 0.00 C ATOM 1218 C VAL B 40 -14.697 -1.440 -2.506 1.00 0.00 C ATOM 1219 O VAL B 40 -14.923 -0.902 -3.592 1.00 0.00 O ATOM 1220 CB VAL B 40 -13.903 0.569 -1.243 1.00 0.00 C ATOM 1221 CG1 VAL B 40 -15.236 0.697 -0.519 1.00 0.00 C ATOM 1222 CG2 VAL B 40 -12.780 1.164 -0.405 1.00 0.00 C ATOM 0 H VAL B 40 -12.213 -0.557 -3.106 1.00 0.00 H new ATOM 0 HA VAL B 40 -13.586 -1.468 -0.655 1.00 0.00 H new ATOM 0 HB VAL B 40 -13.965 1.128 -2.176 1.00 0.00 H new ATOM 0 HG11 VAL B 40 -15.424 1.745 -0.285 1.00 0.00 H new ATOM 0 HG12 VAL B 40 -16.035 0.319 -1.157 1.00 0.00 H new ATOM 0 HG13 VAL B 40 -15.205 0.119 0.405 1.00 0.00 H new ATOM 0 HG21 VAL B 40 -13.010 2.204 -0.174 1.00 0.00 H new ATOM 0 HG22 VAL B 40 -12.680 0.600 0.522 1.00 0.00 H new ATOM 0 HG23 VAL B 40 -11.845 1.115 -0.963 1.00 0.00 H new ATOM 1232 N ILE B 41 -15.343 -2.511 -2.082 1.00 0.00 N ATOM 1233 CA ILE B 41 -16.399 -3.128 -2.863 1.00 0.00 C ATOM 1234 C ILE B 41 -17.750 -2.850 -2.223 1.00 0.00 C ATOM 1235 O ILE B 41 -18.025 -3.304 -1.114 1.00 0.00 O ATOM 1236 CB ILE B 41 -16.200 -4.653 -2.986 1.00 0.00 C ATOM 1237 CG1 ILE B 41 -14.798 -4.965 -3.517 1.00 0.00 C ATOM 1238 CG2 ILE B 41 -17.263 -5.257 -3.898 1.00 0.00 C ATOM 1239 CD1 ILE B 41 -14.477 -6.445 -3.555 1.00 0.00 C ATOM 0 H ILE B 41 -15.152 -2.974 -1.194 1.00 0.00 H new ATOM 0 HA ILE B 41 -16.363 -2.695 -3.863 1.00 0.00 H new ATOM 0 HB ILE B 41 -16.303 -5.098 -1.996 1.00 0.00 H new ATOM 0 HG12 ILE B 41 -14.700 -4.555 -4.522 1.00 0.00 H new ATOM 0 HG13 ILE B 41 -14.062 -4.458 -2.893 1.00 0.00 H new ATOM 0 HG21 ILE B 41 -17.108 -6.333 -3.974 1.00 0.00 H new ATOM 0 HG22 ILE B 41 -18.252 -5.061 -3.484 1.00 0.00 H new ATOM 0 HG23 ILE B 41 -17.189 -4.809 -4.889 1.00 0.00 H new ATOM 0 HD11 ILE B 41 -13.468 -6.589 -3.942 1.00 0.00 H new ATOM 0 HD12 ILE B 41 -14.542 -6.857 -2.548 1.00 0.00 H new ATOM 0 HD13 ILE B 41 -15.190 -6.955 -4.202 1.00 0.00 H new ATOM 1251 N ALA B 42 -18.577 -2.096 -2.918 1.00 0.00 N ATOM 1252 CA ALA B 42 -19.902 -1.767 -2.435 1.00 0.00 C ATOM 1253 C ALA B 42 -20.871 -1.709 -3.604 1.00 0.00 C ATOM 1254 O ALA B 42 -21.083 -0.608 -4.154 1.00 0.00 O ATOM 1255 CB ALA B 42 -19.883 -0.446 -1.676 1.00 0.00 C ATOM 1256 OXT ALA B 42 -21.384 -2.778 -3.993 1.00 0.00 O ATOM 0 H ALA B 42 -18.351 -1.696 -3.829 1.00 0.00 H new ATOM 0 HA ALA B 42 -20.233 -2.542 -1.744 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -20.888 -0.216 -1.321 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -19.207 -0.525 -0.825 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -19.541 0.349 -2.338 1.00 0.00 H new ATOM 1394 N TYR C 10 -21.374 -6.966 11.014 1.00 0.00 N ATOM 1395 CA TYR C 10 -20.056 -6.753 10.442 1.00 0.00 C ATOM 1396 C TYR C 10 -19.170 -7.977 10.649 1.00 0.00 C ATOM 1397 O TYR C 10 -19.367 -8.749 11.588 1.00 0.00 O ATOM 1398 CB TYR C 10 -19.394 -5.513 11.055 1.00 0.00 C ATOM 1399 CG TYR C 10 -18.952 -5.689 12.493 1.00 0.00 C ATOM 1400 CD1 TYR C 10 -19.866 -5.631 13.538 1.00 0.00 C ATOM 1401 CD2 TYR C 10 -17.617 -5.909 12.801 1.00 0.00 C ATOM 1402 CE1 TYR C 10 -19.459 -5.790 14.848 1.00 0.00 C ATOM 1403 CE2 TYR C 10 -17.203 -6.069 14.107 1.00 0.00 C ATOM 1404 CZ TYR C 10 -18.125 -6.008 15.127 1.00 0.00 C ATOM 1405 OH TYR C 10 -17.712 -6.168 16.430 1.00 0.00 O ATOM 0 HA TYR C 10 -20.177 -6.591 9.371 1.00 0.00 H new ATOM 0 HB2 TYR C 10 -18.528 -5.242 10.451 1.00 0.00 H new ATOM 0 HB3 TYR C 10 -20.093 -4.678 11.002 1.00 0.00 H new ATOM 0 HD1 TYR C 10 -20.910 -5.459 13.323 1.00 0.00 H new ATOM 0 HD2 TYR C 10 -16.889 -5.956 12.004 1.00 0.00 H new ATOM 0 HE1 TYR C 10 -20.181 -5.744 15.650 1.00 0.00 H new ATOM 0 HE2 TYR C 10 -16.160 -6.241 14.328 1.00 0.00 H new ATOM 0 HH TYR C 10 -16.743 -6.314 16.451 1.00 0.00 H new ATOM 1415 N GLU C 11 -18.205 -8.142 9.763 1.00 0.00 N ATOM 1416 CA GLU C 11 -17.239 -9.221 9.858 1.00 0.00 C ATOM 1417 C GLU C 11 -15.833 -8.659 9.691 1.00 0.00 C ATOM 1418 O GLU C 11 -15.621 -7.716 8.924 1.00 0.00 O ATOM 1419 CB GLU C 11 -17.519 -10.286 8.791 1.00 0.00 C ATOM 1420 CG GLU C 11 -16.579 -11.481 8.852 1.00 0.00 C ATOM 1421 CD GLU C 11 -16.623 -12.192 10.190 1.00 0.00 C ATOM 1422 OE1 GLU C 11 -17.266 -13.257 10.280 1.00 0.00 O ATOM 1423 OE2 GLU C 11 -16.008 -11.686 11.152 1.00 0.00 O ATOM 0 H GLU C 11 -18.069 -7.532 8.957 1.00 0.00 H new ATOM 0 HA GLU C 11 -17.323 -9.691 10.838 1.00 0.00 H new ATOM 0 HB2 GLU C 11 -18.545 -10.637 8.902 1.00 0.00 H new ATOM 0 HB3 GLU C 11 -17.444 -9.827 7.805 1.00 0.00 H new ATOM 0 HG2 GLU C 11 -16.841 -12.185 8.062 1.00 0.00 H new ATOM 0 HG3 GLU C 11 -15.560 -11.147 8.656 1.00 0.00 H new ATOM 1430 N VAL C 12 -14.884 -9.228 10.414 1.00 0.00 N ATOM 1431 CA VAL C 12 -13.510 -8.755 10.382 1.00 0.00 C ATOM 1432 C VAL C 12 -12.555 -9.900 10.067 1.00 0.00 C ATOM 1433 O VAL C 12 -12.639 -10.975 10.657 1.00 0.00 O ATOM 1434 CB VAL C 12 -13.103 -8.081 11.713 1.00 0.00 C ATOM 1435 CG1 VAL C 12 -13.853 -6.771 11.901 1.00 0.00 C ATOM 1436 CG2 VAL C 12 -13.354 -9.005 12.898 1.00 0.00 C ATOM 0 H VAL C 12 -15.041 -10.023 11.034 1.00 0.00 H new ATOM 0 HA VAL C 12 -13.445 -8.006 9.592 1.00 0.00 H new ATOM 0 HB VAL C 12 -12.035 -7.871 11.666 1.00 0.00 H new ATOM 0 HG11 VAL C 12 -13.553 -6.312 12.843 1.00 0.00 H new ATOM 0 HG12 VAL C 12 -13.619 -6.096 11.078 1.00 0.00 H new ATOM 0 HG13 VAL C 12 -14.926 -6.965 11.917 1.00 0.00 H new ATOM 0 HG21 VAL C 12 -13.058 -8.504 13.819 1.00 0.00 H new ATOM 0 HG22 VAL C 12 -14.414 -9.256 12.946 1.00 0.00 H new ATOM 0 HG23 VAL C 12 -12.770 -9.917 12.778 1.00 0.00 H new ATOM 1446 N HIS C 13 -11.660 -9.675 9.120 1.00 0.00 N ATOM 1447 CA HIS C 13 -10.730 -10.711 8.704 1.00 0.00 C ATOM 1448 C HIS C 13 -9.364 -10.114 8.390 1.00 0.00 C ATOM 1449 O HIS C 13 -9.264 -8.987 7.910 1.00 0.00 O ATOM 1450 CB HIS C 13 -11.280 -11.448 7.477 1.00 0.00 C ATOM 1451 CG HIS C 13 -10.474 -12.646 7.079 1.00 0.00 C ATOM 1452 ND1 HIS C 13 -9.632 -12.663 5.989 1.00 0.00 N ATOM 1453 CD2 HIS C 13 -10.394 -13.878 7.633 1.00 0.00 C ATOM 1454 CE1 HIS C 13 -9.071 -13.853 5.890 1.00 0.00 C ATOM 1455 NE2 HIS C 13 -9.516 -14.610 6.876 1.00 0.00 N ATOM 0 H HIS C 13 -11.558 -8.788 8.627 1.00 0.00 H new ATOM 0 HA HIS C 13 -10.614 -11.421 9.523 1.00 0.00 H new ATOM 0 HB2 HIS C 13 -12.303 -11.762 7.682 1.00 0.00 H new ATOM 0 HB3 HIS C 13 -11.322 -10.755 6.637 1.00 0.00 H new ATOM 0 HD2 HIS C 13 -10.924 -14.221 8.509 1.00 0.00 H new ATOM 0 HE1 HIS C 13 -8.366 -14.157 5.130 1.00 0.00 H new ATOM 0 HE2 HIS C 13 -9.250 -15.580 7.047 1.00 0.00 H new ATOM 1464 N HIS C 14 -8.318 -10.872 8.673 1.00 0.00 N ATOM 1465 CA HIS C 14 -6.963 -10.457 8.355 1.00 0.00 C ATOM 1466 C HIS C 14 -6.156 -11.651 7.861 1.00 0.00 C ATOM 1467 O HIS C 14 -6.540 -12.801 8.075 1.00 0.00 O ATOM 1468 CB HIS C 14 -6.281 -9.814 9.576 1.00 0.00 C ATOM 1469 CG HIS C 14 -6.013 -10.756 10.716 1.00 0.00 C ATOM 1470 ND1 HIS C 14 -6.810 -10.835 11.839 1.00 0.00 N ATOM 1471 CD2 HIS C 14 -5.015 -11.653 10.907 1.00 0.00 C ATOM 1472 CE1 HIS C 14 -6.313 -11.734 12.666 1.00 0.00 C ATOM 1473 NE2 HIS C 14 -5.227 -12.243 12.124 1.00 0.00 N ATOM 0 H HIS C 14 -8.383 -11.784 9.125 1.00 0.00 H new ATOM 0 HA HIS C 14 -7.009 -9.708 7.564 1.00 0.00 H new ATOM 0 HB2 HIS C 14 -5.336 -9.374 9.257 1.00 0.00 H new ATOM 0 HB3 HIS C 14 -6.907 -8.998 9.937 1.00 0.00 H new ATOM 0 HD2 HIS C 14 -4.204 -11.863 10.226 1.00 0.00 H new ATOM 0 HE1 HIS C 14 -6.727 -12.006 13.626 1.00 0.00 H new ATOM 0 HE2 HIS C 14 -4.638 -12.962 12.544 1.00 0.00 H new ATOM 1482 N GLN C 15 -5.050 -11.369 7.196 1.00 0.00 N ATOM 1483 CA GLN C 15 -4.156 -12.409 6.711 1.00 0.00 C ATOM 1484 C GLN C 15 -2.740 -11.856 6.616 1.00 0.00 C ATOM 1485 O GLN C 15 -2.549 -10.687 6.283 1.00 0.00 O ATOM 1486 CB GLN C 15 -4.618 -12.922 5.342 1.00 0.00 C ATOM 1487 CG GLN C 15 -3.753 -14.042 4.785 1.00 0.00 C ATOM 1488 CD GLN C 15 -4.168 -14.474 3.393 1.00 0.00 C ATOM 1489 OE1 GLN C 15 -5.340 -14.397 3.025 1.00 0.00 O ATOM 1490 NE2 GLN C 15 -3.206 -14.935 2.611 1.00 0.00 N ATOM 0 H GLN C 15 -4.746 -10.420 6.977 1.00 0.00 H new ATOM 0 HA GLN C 15 -4.171 -13.245 7.410 1.00 0.00 H new ATOM 0 HB2 GLN C 15 -5.646 -13.275 5.424 1.00 0.00 H new ATOM 0 HB3 GLN C 15 -4.622 -12.092 4.635 1.00 0.00 H new ATOM 0 HG2 GLN C 15 -2.714 -13.714 4.763 1.00 0.00 H new ATOM 0 HG3 GLN C 15 -3.803 -14.900 5.456 1.00 0.00 H new ATOM 0 HE21 GLN C 15 -2.247 -14.982 2.956 1.00 0.00 H new ATOM 0 HE22 GLN C 15 -3.423 -15.243 1.663 1.00 0.00 H new ATOM 1499 N LYS C 16 -1.753 -12.678 6.925 1.00 0.00 N ATOM 1500 CA LYS C 16 -0.366 -12.257 6.833 1.00 0.00 C ATOM 1501 C LYS C 16 0.498 -13.366 6.252 1.00 0.00 C ATOM 1502 O LYS C 16 0.333 -14.538 6.588 1.00 0.00 O ATOM 1503 CB LYS C 16 0.161 -11.825 8.205 1.00 0.00 C ATOM 1504 CG LYS C 16 0.105 -12.911 9.269 1.00 0.00 C ATOM 1505 CD LYS C 16 0.441 -12.361 10.648 1.00 0.00 C ATOM 1506 CE LYS C 16 1.861 -11.819 10.721 1.00 0.00 C ATOM 1507 NZ LYS C 16 2.875 -12.897 10.591 1.00 0.00 N ATOM 0 H LYS C 16 -1.885 -13.639 7.241 1.00 0.00 H new ATOM 0 HA LYS C 16 -0.316 -11.400 6.162 1.00 0.00 H new ATOM 0 HB2 LYS C 16 1.193 -11.493 8.096 1.00 0.00 H new ATOM 0 HB3 LYS C 16 -0.416 -10.966 8.549 1.00 0.00 H new ATOM 0 HG2 LYS C 16 -0.891 -13.354 9.286 1.00 0.00 H new ATOM 0 HG3 LYS C 16 0.804 -13.708 9.014 1.00 0.00 H new ATOM 0 HD2 LYS C 16 -0.262 -11.568 10.902 1.00 0.00 H new ATOM 0 HD3 LYS C 16 0.316 -13.148 11.392 1.00 0.00 H new ATOM 0 HE2 LYS C 16 2.010 -11.084 9.930 1.00 0.00 H new ATOM 0 HE3 LYS C 16 2.003 -11.300 11.669 1.00 0.00 H new ATOM 0 HZ1 LYS C 16 3.821 -12.509 10.781 1.00 0.00 H new ATOM 0 HZ2 LYS C 16 2.668 -13.653 11.275 1.00 0.00 H new ATOM 0 HZ3 LYS C 16 2.847 -13.285 9.627 1.00 0.00 H new ATOM 1521 N LEU C 17 1.401 -12.986 5.361 1.00 0.00 N ATOM 1522 CA LEU C 17 2.319 -13.927 4.737 1.00 0.00 C ATOM 1523 C LEU C 17 3.725 -13.350 4.723 1.00 0.00 C ATOM 1524 O LEU C 17 3.922 -12.184 4.378 1.00 0.00 O ATOM 1525 CB LEU C 17 1.881 -14.246 3.302 1.00 0.00 C ATOM 1526 CG LEU C 17 0.542 -14.979 3.163 1.00 0.00 C ATOM 1527 CD1 LEU C 17 0.154 -15.105 1.699 1.00 0.00 C ATOM 1528 CD2 LEU C 17 0.618 -16.355 3.809 1.00 0.00 C ATOM 0 H LEU C 17 1.518 -12.021 5.051 1.00 0.00 H new ATOM 0 HA LEU C 17 2.309 -14.849 5.318 1.00 0.00 H new ATOM 0 HB2 LEU C 17 1.822 -13.312 2.743 1.00 0.00 H new ATOM 0 HB3 LEU C 17 2.656 -14.851 2.831 1.00 0.00 H new ATOM 0 HG LEU C 17 -0.223 -14.396 3.676 1.00 0.00 H new ATOM 0 HD11 LEU C 17 -0.799 -15.628 1.619 1.00 0.00 H new ATOM 0 HD12 LEU C 17 0.061 -14.111 1.260 1.00 0.00 H new ATOM 0 HD13 LEU C 17 0.922 -15.666 1.166 1.00 0.00 H new ATOM 0 HD21 LEU C 17 -0.341 -16.861 3.701 1.00 0.00 H new ATOM 0 HD22 LEU C 17 1.396 -16.943 3.322 1.00 0.00 H new ATOM 0 HD23 LEU C 17 0.854 -16.247 4.868 1.00 0.00 H new ATOM 1540 N VAL C 18 4.697 -14.158 5.110 1.00 0.00 N ATOM 1541 CA VAL C 18 6.086 -13.734 5.105 1.00 0.00 C ATOM 1542 C VAL C 18 6.935 -14.695 4.280 1.00 0.00 C ATOM 1543 O VAL C 18 6.776 -15.912 4.360 1.00 0.00 O ATOM 1544 CB VAL C 18 6.665 -13.616 6.536 1.00 0.00 C ATOM 1545 CG1 VAL C 18 5.982 -12.492 7.300 1.00 0.00 C ATOM 1546 CG2 VAL C 18 6.534 -14.930 7.295 1.00 0.00 C ATOM 0 H VAL C 18 4.549 -15.114 5.433 1.00 0.00 H new ATOM 0 HA VAL C 18 6.116 -12.743 4.652 1.00 0.00 H new ATOM 0 HB VAL C 18 7.726 -13.383 6.447 1.00 0.00 H new ATOM 0 HG11 VAL C 18 6.403 -12.426 8.303 1.00 0.00 H new ATOM 0 HG12 VAL C 18 6.139 -11.549 6.777 1.00 0.00 H new ATOM 0 HG13 VAL C 18 4.913 -12.695 7.368 1.00 0.00 H new ATOM 0 HG21 VAL C 18 6.949 -14.815 8.296 1.00 0.00 H new ATOM 0 HG22 VAL C 18 5.482 -15.205 7.368 1.00 0.00 H new ATOM 0 HG23 VAL C 18 7.077 -15.712 6.765 1.00 0.00 H new ATOM 1556 N PHE C 19 7.817 -14.139 3.466 1.00 0.00 N ATOM 1557 CA PHE C 19 8.670 -14.938 2.602 1.00 0.00 C ATOM 1558 C PHE C 19 10.111 -14.467 2.715 1.00 0.00 C ATOM 1559 O PHE C 19 10.375 -13.266 2.716 1.00 0.00 O ATOM 1560 CB PHE C 19 8.211 -14.831 1.143 1.00 0.00 C ATOM 1561 CG PHE C 19 6.763 -15.167 0.923 1.00 0.00 C ATOM 1562 CD1 PHE C 19 6.363 -16.480 0.740 1.00 0.00 C ATOM 1563 CD2 PHE C 19 5.802 -14.167 0.898 1.00 0.00 C ATOM 1564 CE1 PHE C 19 5.033 -16.790 0.534 1.00 0.00 C ATOM 1565 CE2 PHE C 19 4.471 -14.472 0.693 1.00 0.00 C ATOM 1566 CZ PHE C 19 4.085 -15.786 0.512 1.00 0.00 C ATOM 0 H PHE C 19 7.961 -13.132 3.385 1.00 0.00 H new ATOM 0 HA PHE C 19 8.601 -15.979 2.919 1.00 0.00 H new ATOM 0 HB2 PHE C 19 8.394 -13.816 0.791 1.00 0.00 H new ATOM 0 HB3 PHE C 19 8.823 -15.495 0.532 1.00 0.00 H new ATOM 0 HD1 PHE C 19 7.099 -17.270 0.759 1.00 0.00 H new ATOM 0 HD2 PHE C 19 6.098 -13.138 1.040 1.00 0.00 H new ATOM 0 HE1 PHE C 19 4.734 -17.818 0.390 1.00 0.00 H new ATOM 0 HE2 PHE C 19 3.733 -13.684 0.674 1.00 0.00 H new ATOM 0 HZ PHE C 19 3.044 -16.028 0.354 1.00 0.00 H new ATOM 1576 N PHE C 20 11.036 -15.404 2.825 1.00 0.00 N ATOM 1577 CA PHE C 20 12.446 -15.066 2.882 1.00 0.00 C ATOM 1578 C PHE C 20 13.247 -15.979 1.968 1.00 0.00 C ATOM 1579 O PHE C 20 13.106 -17.199 2.017 1.00 0.00 O ATOM 1580 CB PHE C 20 12.975 -15.168 4.316 1.00 0.00 C ATOM 1581 CG PHE C 20 14.416 -14.760 4.449 1.00 0.00 C ATOM 1582 CD1 PHE C 20 15.421 -15.714 4.512 1.00 0.00 C ATOM 1583 CD2 PHE C 20 14.764 -13.422 4.498 1.00 0.00 C ATOM 1584 CE1 PHE C 20 16.744 -15.337 4.623 1.00 0.00 C ATOM 1585 CE2 PHE C 20 16.086 -13.038 4.610 1.00 0.00 C ATOM 1586 CZ PHE C 20 17.078 -13.996 4.672 1.00 0.00 C ATOM 0 H PHE C 20 10.836 -16.403 2.877 1.00 0.00 H new ATOM 0 HA PHE C 20 12.560 -14.036 2.544 1.00 0.00 H new ATOM 0 HB2 PHE C 20 12.365 -14.540 4.966 1.00 0.00 H new ATOM 0 HB3 PHE C 20 12.861 -16.194 4.666 1.00 0.00 H new ATOM 0 HD1 PHE C 20 15.166 -16.763 4.474 1.00 0.00 H new ATOM 0 HD2 PHE C 20 13.992 -12.668 4.448 1.00 0.00 H new ATOM 0 HE1 PHE C 20 17.518 -16.089 4.672 1.00 0.00 H new ATOM 0 HE2 PHE C 20 16.343 -11.990 4.649 1.00 0.00 H new ATOM 0 HZ PHE C 20 18.113 -13.699 4.759 1.00 0.00 H new ATOM 1703 N GLY C 29 20.294 -11.481 0.103 1.00 0.00 N ATOM 1704 CA GLY C 29 19.000 -12.123 -0.031 1.00 0.00 C ATOM 1705 C GLY C 29 17.855 -11.138 -0.142 1.00 0.00 C ATOM 1706 O GLY C 29 18.068 -9.940 -0.302 1.00 0.00 O ATOM 0 HA2 GLY C 29 19.008 -12.762 -0.914 1.00 0.00 H new ATOM 0 HA3 GLY C 29 18.832 -12.771 0.830 1.00 0.00 H new ATOM 1710 N ALA C 30 16.636 -11.645 -0.055 1.00 0.00 N ATOM 1711 CA ALA C 30 15.448 -10.814 -0.163 1.00 0.00 C ATOM 1712 C ALA C 30 14.378 -11.268 0.820 1.00 0.00 C ATOM 1713 O ALA C 30 14.183 -12.469 1.029 1.00 0.00 O ATOM 1714 CB ALA C 30 14.906 -10.850 -1.585 1.00 0.00 C ATOM 0 H ALA C 30 16.443 -12.636 0.091 1.00 0.00 H new ATOM 0 HA ALA C 30 15.725 -9.789 0.083 1.00 0.00 H new ATOM 0 HB1 ALA C 30 14.017 -10.223 -1.651 1.00 0.00 H new ATOM 0 HB2 ALA C 30 15.665 -10.477 -2.273 1.00 0.00 H new ATOM 0 HB3 ALA C 30 14.648 -11.875 -1.850 1.00 0.00 H new ATOM 1720 N ILE C 31 13.692 -10.309 1.422 1.00 0.00 N ATOM 1721 CA ILE C 31 12.627 -10.607 2.371 1.00 0.00 C ATOM 1722 C ILE C 31 11.328 -9.913 1.956 1.00 0.00 C ATOM 1723 O ILE C 31 11.329 -8.734 1.595 1.00 0.00 O ATOM 1724 CB ILE C 31 13.020 -10.196 3.814 1.00 0.00 C ATOM 1725 CG1 ILE C 31 11.905 -10.563 4.800 1.00 0.00 C ATOM 1726 CG2 ILE C 31 13.339 -8.707 3.888 1.00 0.00 C ATOM 1727 CD1 ILE C 31 12.248 -10.268 6.245 1.00 0.00 C ATOM 0 H ILE C 31 13.854 -9.313 1.270 1.00 0.00 H new ATOM 0 HA ILE C 31 12.469 -11.685 2.362 1.00 0.00 H new ATOM 0 HB ILE C 31 13.919 -10.746 4.092 1.00 0.00 H new ATOM 0 HG12 ILE C 31 11.001 -10.017 4.532 1.00 0.00 H new ATOM 0 HG13 ILE C 31 11.678 -11.624 4.699 1.00 0.00 H new ATOM 0 HG21 ILE C 31 13.612 -8.444 4.910 1.00 0.00 H new ATOM 0 HG22 ILE C 31 14.170 -8.479 3.221 1.00 0.00 H new ATOM 0 HG23 ILE C 31 12.464 -8.132 3.586 1.00 0.00 H new ATOM 0 HD11 ILE C 31 11.412 -10.554 6.883 1.00 0.00 H new ATOM 0 HD12 ILE C 31 13.134 -10.835 6.532 1.00 0.00 H new ATOM 0 HD13 ILE C 31 12.446 -9.202 6.362 1.00 0.00 H new ATOM 1739 N ILE C 32 10.230 -10.658 1.986 1.00 0.00 N ATOM 1740 CA ILE C 32 8.932 -10.142 1.574 1.00 0.00 C ATOM 1741 C ILE C 32 7.909 -10.320 2.693 1.00 0.00 C ATOM 1742 O ILE C 32 7.885 -11.356 3.360 1.00 0.00 O ATOM 1743 CB ILE C 32 8.412 -10.867 0.311 1.00 0.00 C ATOM 1744 CG1 ILE C 32 9.461 -10.832 -0.805 1.00 0.00 C ATOM 1745 CG2 ILE C 32 7.109 -10.239 -0.170 1.00 0.00 C ATOM 1746 CD1 ILE C 32 9.082 -11.648 -2.022 1.00 0.00 C ATOM 0 H ILE C 32 10.214 -11.630 2.294 1.00 0.00 H new ATOM 0 HA ILE C 32 9.062 -9.083 1.350 1.00 0.00 H new ATOM 0 HB ILE C 32 8.221 -11.908 0.573 1.00 0.00 H new ATOM 0 HG12 ILE C 32 9.622 -9.797 -1.108 1.00 0.00 H new ATOM 0 HG13 ILE C 32 10.409 -11.200 -0.412 1.00 0.00 H new ATOM 0 HG21 ILE C 32 6.759 -10.763 -1.059 1.00 0.00 H new ATOM 0 HG22 ILE C 32 6.357 -10.315 0.615 1.00 0.00 H new ATOM 0 HG23 ILE C 32 7.278 -9.189 -0.410 1.00 0.00 H new ATOM 0 HD11 ILE C 32 9.872 -11.575 -2.769 1.00 0.00 H new ATOM 0 HD12 ILE C 32 8.950 -12.691 -1.734 1.00 0.00 H new ATOM 0 HD13 ILE C 32 8.151 -11.266 -2.440 1.00 0.00 H new ATOM 1758 N GLY C 33 7.075 -9.312 2.896 1.00 0.00 N ATOM 1759 CA GLY C 33 6.018 -9.408 3.881 1.00 0.00 C ATOM 1760 C GLY C 33 4.715 -8.837 3.362 1.00 0.00 C ATOM 1761 O GLY C 33 4.682 -7.711 2.868 1.00 0.00 O ATOM 0 H GLY C 33 7.112 -8.425 2.394 1.00 0.00 H new ATOM 0 HA2 GLY C 33 5.873 -10.452 4.158 1.00 0.00 H new ATOM 0 HA3 GLY C 33 6.314 -8.876 4.785 1.00 0.00 H new ATOM 1765 N LEU C 34 3.648 -9.617 3.462 1.00 0.00 N ATOM 1766 CA LEU C 34 2.337 -9.198 2.985 1.00 0.00 C ATOM 1767 C LEU C 34 1.329 -9.202 4.128 1.00 0.00 C ATOM 1768 O LEU C 34 1.130 -10.223 4.786 1.00 0.00 O ATOM 1769 CB LEU C 34 1.861 -10.126 1.862 1.00 0.00 C ATOM 1770 CG LEU C 34 0.482 -9.802 1.277 1.00 0.00 C ATOM 1771 CD1 LEU C 34 0.497 -8.450 0.580 1.00 0.00 C ATOM 1772 CD2 LEU C 34 0.043 -10.899 0.319 1.00 0.00 C ATOM 0 H LEU C 34 3.665 -10.551 3.872 1.00 0.00 H new ATOM 0 HA LEU C 34 2.419 -8.184 2.595 1.00 0.00 H new ATOM 0 HB2 LEU C 34 2.594 -10.097 1.056 1.00 0.00 H new ATOM 0 HB3 LEU C 34 1.844 -11.148 2.241 1.00 0.00 H new ATOM 0 HG LEU C 34 -0.237 -9.751 2.095 1.00 0.00 H new ATOM 0 HD11 LEU C 34 -0.492 -8.240 0.172 1.00 0.00 H new ATOM 0 HD12 LEU C 34 0.766 -7.674 1.297 1.00 0.00 H new ATOM 0 HD13 LEU C 34 1.227 -8.466 -0.229 1.00 0.00 H new ATOM 0 HD21 LEU C 34 -0.938 -10.655 -0.089 1.00 0.00 H new ATOM 0 HD22 LEU C 34 0.764 -10.981 -0.495 1.00 0.00 H new ATOM 0 HD23 LEU C 34 -0.012 -11.848 0.853 1.00 0.00 H new ATOM 1784 N MET C 35 0.706 -8.056 4.362 1.00 0.00 N ATOM 1785 CA MET C 35 -0.286 -7.921 5.421 1.00 0.00 C ATOM 1786 C MET C 35 -1.629 -7.507 4.829 1.00 0.00 C ATOM 1787 O MET C 35 -1.728 -6.489 4.143 1.00 0.00 O ATOM 1788 CB MET C 35 0.164 -6.881 6.451 1.00 0.00 C ATOM 1789 CG MET C 35 1.540 -7.146 7.039 1.00 0.00 C ATOM 1790 SD MET C 35 1.632 -8.702 7.946 1.00 0.00 S ATOM 1791 CE MET C 35 3.365 -8.718 8.400 1.00 0.00 C ATOM 0 H MET C 35 0.871 -7.201 3.830 1.00 0.00 H new ATOM 0 HA MET C 35 -0.392 -8.885 5.918 1.00 0.00 H new ATOM 0 HB2 MET C 35 0.164 -5.897 5.982 1.00 0.00 H new ATOM 0 HB3 MET C 35 -0.565 -6.848 7.261 1.00 0.00 H new ATOM 0 HG2 MET C 35 2.276 -7.156 6.235 1.00 0.00 H new ATOM 0 HG3 MET C 35 1.808 -6.327 7.706 1.00 0.00 H new ATOM 0 HE1 MET C 35 3.584 -9.622 8.969 1.00 0.00 H new ATOM 0 HE2 MET C 35 3.977 -8.700 7.499 1.00 0.00 H new ATOM 0 HE3 MET C 35 3.590 -7.842 9.009 1.00 0.00 H new ATOM 1801 N VAL C 36 -2.657 -8.301 5.087 1.00 0.00 N ATOM 1802 CA VAL C 36 -3.985 -8.038 4.554 1.00 0.00 C ATOM 1803 C VAL C 36 -5.002 -7.866 5.679 1.00 0.00 C ATOM 1804 O VAL C 36 -4.986 -8.609 6.661 1.00 0.00 O ATOM 1805 CB VAL C 36 -4.453 -9.183 3.626 1.00 0.00 C ATOM 1806 CG1 VAL C 36 -5.843 -8.901 3.073 1.00 0.00 C ATOM 1807 CG2 VAL C 36 -3.458 -9.406 2.497 1.00 0.00 C ATOM 0 H VAL C 36 -2.596 -9.138 5.666 1.00 0.00 H new ATOM 0 HA VAL C 36 -3.921 -7.114 3.979 1.00 0.00 H new ATOM 0 HB VAL C 36 -4.504 -10.097 4.218 1.00 0.00 H new ATOM 0 HG11 VAL C 36 -6.149 -9.721 2.423 1.00 0.00 H new ATOM 0 HG12 VAL C 36 -6.550 -8.807 3.897 1.00 0.00 H new ATOM 0 HG13 VAL C 36 -5.826 -7.973 2.502 1.00 0.00 H new ATOM 0 HG21 VAL C 36 -3.809 -10.216 1.858 1.00 0.00 H new ATOM 0 HG22 VAL C 36 -3.365 -8.493 1.908 1.00 0.00 H new ATOM 0 HG23 VAL C 36 -2.486 -9.669 2.915 1.00 0.00 H new ATOM 1817 N GLY C 37 -5.871 -6.878 5.532 1.00 0.00 N ATOM 1818 CA GLY C 37 -6.946 -6.672 6.480 1.00 0.00 C ATOM 1819 C GLY C 37 -8.229 -6.276 5.780 1.00 0.00 C ATOM 1820 O GLY C 37 -8.210 -5.436 4.878 1.00 0.00 O ATOM 0 H GLY C 37 -5.850 -6.208 4.763 1.00 0.00 H new ATOM 0 HA2 GLY C 37 -7.109 -7.585 7.053 1.00 0.00 H new ATOM 0 HA3 GLY C 37 -6.663 -5.896 7.191 1.00 0.00 H new ATOM 1824 N GLY C 38 -9.338 -6.886 6.169 1.00 0.00 N ATOM 1825 CA GLY C 38 -10.601 -6.597 5.526 1.00 0.00 C ATOM 1826 C GLY C 38 -11.756 -6.531 6.502 1.00 0.00 C ATOM 1827 O GLY C 38 -11.817 -7.299 7.464 1.00 0.00 O ATOM 0 H GLY C 38 -9.385 -7.576 6.919 1.00 0.00 H new ATOM 0 HA2 GLY C 38 -10.525 -5.647 4.996 1.00 0.00 H new ATOM 0 HA3 GLY C 38 -10.806 -7.363 4.779 1.00 0.00 H new ATOM 1831 N VAL C 39 -12.672 -5.606 6.252 1.00 0.00 N ATOM 1832 CA VAL C 39 -13.858 -5.447 7.080 1.00 0.00 C ATOM 1833 C VAL C 39 -15.106 -5.441 6.205 1.00 0.00 C ATOM 1834 O VAL C 39 -15.178 -4.709 5.215 1.00 0.00 O ATOM 1835 CB VAL C 39 -13.808 -4.141 7.910 1.00 0.00 C ATOM 1836 CG1 VAL C 39 -15.054 -3.995 8.774 1.00 0.00 C ATOM 1837 CG2 VAL C 39 -12.559 -4.096 8.774 1.00 0.00 C ATOM 0 H VAL C 39 -12.614 -4.949 5.474 1.00 0.00 H new ATOM 0 HA VAL C 39 -13.891 -6.289 7.772 1.00 0.00 H new ATOM 0 HB VAL C 39 -13.775 -3.305 7.212 1.00 0.00 H new ATOM 0 HG11 VAL C 39 -14.993 -3.070 9.347 1.00 0.00 H new ATOM 0 HG12 VAL C 39 -15.938 -3.970 8.137 1.00 0.00 H new ATOM 0 HG13 VAL C 39 -15.124 -4.841 9.458 1.00 0.00 H new ATOM 0 HG21 VAL C 39 -12.547 -3.169 9.348 1.00 0.00 H new ATOM 0 HG22 VAL C 39 -12.558 -4.945 9.457 1.00 0.00 H new ATOM 0 HG23 VAL C 39 -11.675 -4.141 8.138 1.00 0.00 H new ATOM 1847 N VAL C 40 -16.071 -6.273 6.556 1.00 0.00 N ATOM 1848 CA VAL C 40 -17.324 -6.350 5.819 1.00 0.00 C ATOM 1849 C VAL C 40 -18.476 -5.866 6.689 1.00 0.00 C ATOM 1850 O VAL C 40 -18.693 -6.389 7.777 1.00 0.00 O ATOM 1851 CB VAL C 40 -17.619 -7.793 5.353 1.00 0.00 C ATOM 1852 CG1 VAL C 40 -18.921 -7.851 4.568 1.00 0.00 C ATOM 1853 CG2 VAL C 40 -16.467 -8.340 4.523 1.00 0.00 C ATOM 0 H VAL C 40 -16.012 -6.909 7.351 1.00 0.00 H new ATOM 0 HA VAL C 40 -17.226 -5.712 4.940 1.00 0.00 H new ATOM 0 HB VAL C 40 -17.727 -8.419 6.239 1.00 0.00 H new ATOM 0 HG11 VAL C 40 -19.109 -8.877 4.250 1.00 0.00 H new ATOM 0 HG12 VAL C 40 -19.742 -7.511 5.199 1.00 0.00 H new ATOM 0 HG13 VAL C 40 -18.846 -7.207 3.692 1.00 0.00 H new ATOM 0 HG21 VAL C 40 -16.698 -9.357 4.206 1.00 0.00 H new ATOM 0 HG22 VAL C 40 -16.320 -7.711 3.645 1.00 0.00 H new ATOM 0 HG23 VAL C 40 -15.557 -8.344 5.122 1.00 0.00 H new ATOM 1863 N ILE C 41 -19.197 -4.863 6.221 1.00 0.00 N ATOM 1864 CA ILE C 41 -20.348 -4.350 6.952 1.00 0.00 C ATOM 1865 C ILE C 41 -21.622 -4.524 6.134 1.00 0.00 C ATOM 1866 O ILE C 41 -21.651 -4.213 4.944 1.00 0.00 O ATOM 1867 CB ILE C 41 -20.169 -2.864 7.340 1.00 0.00 C ATOM 1868 CG1 ILE C 41 -19.844 -2.010 6.110 1.00 0.00 C ATOM 1869 CG2 ILE C 41 -19.080 -2.724 8.395 1.00 0.00 C ATOM 1870 CD1 ILE C 41 -19.702 -0.533 6.413 1.00 0.00 C ATOM 0 H ILE C 41 -19.008 -4.386 5.339 1.00 0.00 H new ATOM 0 HA ILE C 41 -20.430 -4.928 7.872 1.00 0.00 H new ATOM 0 HB ILE C 41 -21.109 -2.503 7.758 1.00 0.00 H new ATOM 0 HG12 ILE C 41 -18.918 -2.371 5.663 1.00 0.00 H new ATOM 0 HG13 ILE C 41 -20.630 -2.145 5.367 1.00 0.00 H new ATOM 0 HG21 ILE C 41 -18.963 -1.673 8.660 1.00 0.00 H new ATOM 0 HG22 ILE C 41 -19.357 -3.293 9.282 1.00 0.00 H new ATOM 0 HG23 ILE C 41 -18.139 -3.105 7.999 1.00 0.00 H new ATOM 0 HD11 ILE C 41 -19.472 0.006 5.494 1.00 0.00 H new ATOM 0 HD12 ILE C 41 -20.635 -0.156 6.831 1.00 0.00 H new ATOM 0 HD13 ILE C 41 -18.896 -0.385 7.132 1.00 0.00 H new ATOM 2341 N ALA D 30 -20.973 -3.029 2.500 1.00 0.00 N ATOM 2342 CA ALA D 30 -19.707 -2.543 1.977 1.00 0.00 C ATOM 2343 C ALA D 30 -18.553 -3.415 2.451 1.00 0.00 C ATOM 2344 O ALA D 30 -18.473 -3.783 3.626 1.00 0.00 O ATOM 2345 CB ALA D 30 -19.486 -1.096 2.386 1.00 0.00 C ATOM 0 HA ALA D 30 -19.745 -2.595 0.889 1.00 0.00 H new ATOM 0 HB1 ALA D 30 -18.534 -0.746 1.987 1.00 0.00 H new ATOM 0 HB2 ALA D 30 -20.293 -0.479 1.991 1.00 0.00 H new ATOM 0 HB3 ALA D 30 -19.472 -1.023 3.473 1.00 0.00 H new ATOM 2351 N ILE D 31 -17.672 -3.755 1.525 1.00 0.00 N ATOM 2352 CA ILE D 31 -16.502 -4.561 1.826 1.00 0.00 C ATOM 2353 C ILE D 31 -15.231 -3.755 1.586 1.00 0.00 C ATOM 2354 O ILE D 31 -14.936 -3.369 0.455 1.00 0.00 O ATOM 2355 CB ILE D 31 -16.459 -5.837 0.954 1.00 0.00 C ATOM 2356 CG1 ILE D 31 -17.714 -6.684 1.187 1.00 0.00 C ATOM 2357 CG2 ILE D 31 -15.199 -6.646 1.246 1.00 0.00 C ATOM 2358 CD1 ILE D 31 -17.805 -7.898 0.288 1.00 0.00 C ATOM 0 H ILE D 31 -17.748 -3.480 0.546 1.00 0.00 H new ATOM 0 HA ILE D 31 -16.565 -4.853 2.874 1.00 0.00 H new ATOM 0 HB ILE D 31 -16.435 -5.539 -0.094 1.00 0.00 H new ATOM 0 HG12 ILE D 31 -17.733 -7.011 2.227 1.00 0.00 H new ATOM 0 HG13 ILE D 31 -18.595 -6.062 1.032 1.00 0.00 H new ATOM 0 HG21 ILE D 31 -15.188 -7.540 0.622 1.00 0.00 H new ATOM 0 HG22 ILE D 31 -14.319 -6.040 1.028 1.00 0.00 H new ATOM 0 HG23 ILE D 31 -15.188 -6.937 2.297 1.00 0.00 H new ATOM 0 HD11 ILE D 31 -18.719 -8.448 0.511 1.00 0.00 H new ATOM 0 HD12 ILE D 31 -17.819 -7.579 -0.754 1.00 0.00 H new ATOM 0 HD13 ILE D 31 -16.943 -8.543 0.459 1.00 0.00 H new ATOM 2370 N ILE D 32 -14.491 -3.486 2.647 1.00 0.00 N ATOM 2371 CA ILE D 32 -13.233 -2.771 2.521 1.00 0.00 C ATOM 2372 C ILE D 32 -12.071 -3.733 2.745 1.00 0.00 C ATOM 2373 O ILE D 32 -12.041 -4.475 3.727 1.00 0.00 O ATOM 2374 CB ILE D 32 -13.163 -1.558 3.498 1.00 0.00 C ATOM 2375 CG1 ILE D 32 -11.896 -0.706 3.265 1.00 0.00 C ATOM 2376 CG2 ILE D 32 -13.248 -2.011 4.950 1.00 0.00 C ATOM 2377 CD1 ILE D 32 -10.629 -1.239 3.916 1.00 0.00 C ATOM 0 H ILE D 32 -14.737 -3.750 3.601 1.00 0.00 H new ATOM 0 HA ILE D 32 -13.163 -2.366 1.511 1.00 0.00 H new ATOM 0 HB ILE D 32 -14.028 -0.929 3.287 1.00 0.00 H new ATOM 0 HG12 ILE D 32 -11.726 -0.622 2.192 1.00 0.00 H new ATOM 0 HG13 ILE D 32 -12.081 0.301 3.638 1.00 0.00 H new ATOM 0 HG21 ILE D 32 -13.196 -1.142 5.606 1.00 0.00 H new ATOM 0 HG22 ILE D 32 -14.190 -2.534 5.114 1.00 0.00 H new ATOM 0 HG23 ILE D 32 -12.418 -2.682 5.171 1.00 0.00 H new ATOM 0 HD11 ILE D 32 -9.797 -0.571 3.694 1.00 0.00 H new ATOM 0 HD12 ILE D 32 -10.771 -1.296 4.995 1.00 0.00 H new ATOM 0 HD13 ILE D 32 -10.410 -2.233 3.526 1.00 0.00 H new ATOM 2389 N GLY D 33 -11.136 -3.743 1.808 1.00 0.00 N ATOM 2390 CA GLY D 33 -9.970 -4.586 1.941 1.00 0.00 C ATOM 2391 C GLY D 33 -8.688 -3.821 1.696 1.00 0.00 C ATOM 2392 O GLY D 33 -8.564 -3.111 0.697 1.00 0.00 O ATOM 0 H GLY D 33 -11.165 -3.181 0.957 1.00 0.00 H new ATOM 0 HA2 GLY D 33 -9.948 -5.020 2.941 1.00 0.00 H new ATOM 0 HA3 GLY D 33 -10.039 -5.414 1.236 1.00 0.00 H new ATOM 2396 N LEU D 34 -7.743 -3.953 2.607 1.00 0.00 N ATOM 2397 CA LEU D 34 -6.453 -3.296 2.474 1.00 0.00 C ATOM 2398 C LEU D 34 -5.335 -4.328 2.469 1.00 0.00 C ATOM 2399 O LEU D 34 -5.250 -5.171 3.363 1.00 0.00 O ATOM 2400 CB LEU D 34 -6.241 -2.296 3.614 1.00 0.00 C ATOM 2401 CG LEU D 34 -4.889 -1.570 3.605 1.00 0.00 C ATOM 2402 CD1 LEU D 34 -4.722 -0.742 2.339 1.00 0.00 C ATOM 2403 CD2 LEU D 34 -4.750 -0.694 4.839 1.00 0.00 C ATOM 0 H LEU D 34 -7.844 -4.513 3.454 1.00 0.00 H new ATOM 0 HA LEU D 34 -6.437 -2.754 1.528 1.00 0.00 H new ATOM 0 HB2 LEU D 34 -7.035 -1.551 3.574 1.00 0.00 H new ATOM 0 HB3 LEU D 34 -6.346 -2.823 4.562 1.00 0.00 H new ATOM 0 HG LEU D 34 -4.100 -2.322 3.621 1.00 0.00 H new ATOM 0 HD11 LEU D 34 -3.756 -0.238 2.359 1.00 0.00 H new ATOM 0 HD12 LEU D 34 -4.773 -1.395 1.468 1.00 0.00 H new ATOM 0 HD13 LEU D 34 -5.517 0.001 2.283 1.00 0.00 H new ATOM 0 HD21 LEU D 34 -3.786 -0.186 4.818 1.00 0.00 H new ATOM 0 HD22 LEU D 34 -5.550 0.046 4.852 1.00 0.00 H new ATOM 0 HD23 LEU D 34 -4.814 -1.313 5.734 1.00 0.00 H new ATOM 2415 N MET D 35 -4.494 -4.266 1.451 1.00 0.00 N ATOM 2416 CA MET D 35 -3.366 -5.175 1.337 1.00 0.00 C ATOM 2417 C MET D 35 -2.075 -4.382 1.221 1.00 0.00 C ATOM 2418 O MET D 35 -1.910 -3.580 0.303 1.00 0.00 O ATOM 2419 CB MET D 35 -3.530 -6.078 0.111 1.00 0.00 C ATOM 2420 CG MET D 35 -4.819 -6.880 0.113 1.00 0.00 C ATOM 2421 SD MET D 35 -4.986 -7.938 -1.335 1.00 0.00 S ATOM 2422 CE MET D 35 -6.575 -8.698 -1.009 1.00 0.00 C ATOM 0 H MET D 35 -4.571 -3.593 0.689 1.00 0.00 H new ATOM 0 HA MET D 35 -3.328 -5.799 2.230 1.00 0.00 H new ATOM 0 HB2 MET D 35 -3.496 -5.464 -0.789 1.00 0.00 H new ATOM 0 HB3 MET D 35 -2.685 -6.765 0.061 1.00 0.00 H new ATOM 0 HG2 MET D 35 -4.858 -7.494 1.012 1.00 0.00 H new ATOM 0 HG3 MET D 35 -5.667 -6.196 0.157 1.00 0.00 H new ATOM 0 HE1 MET D 35 -6.823 -9.384 -1.819 1.00 0.00 H new ATOM 0 HE2 MET D 35 -6.530 -9.247 -0.069 1.00 0.00 H new ATOM 0 HE3 MET D 35 -7.341 -7.925 -0.941 1.00 0.00 H new ATOM 2432 N VAL D 36 -1.164 -4.601 2.150 1.00 0.00 N ATOM 2433 CA VAL D 36 0.114 -3.912 2.130 1.00 0.00 C ATOM 2434 C VAL D 36 1.256 -4.919 2.057 1.00 0.00 C ATOM 2435 O VAL D 36 1.314 -5.870 2.839 1.00 0.00 O ATOM 2436 CB VAL D 36 0.291 -2.981 3.356 1.00 0.00 C ATOM 2437 CG1 VAL D 36 -0.757 -1.878 3.346 1.00 0.00 C ATOM 2438 CG2 VAL D 36 0.215 -3.760 4.662 1.00 0.00 C ATOM 0 H VAL D 36 -1.284 -5.250 2.928 1.00 0.00 H new ATOM 0 HA VAL D 36 0.134 -3.284 1.240 1.00 0.00 H new ATOM 0 HB VAL D 36 1.281 -2.531 3.286 1.00 0.00 H new ATOM 0 HG11 VAL D 36 -0.616 -1.235 4.215 1.00 0.00 H new ATOM 0 HG12 VAL D 36 -0.654 -1.287 2.436 1.00 0.00 H new ATOM 0 HG13 VAL D 36 -1.752 -2.321 3.380 1.00 0.00 H new ATOM 0 HG21 VAL D 36 0.343 -3.076 5.501 1.00 0.00 H new ATOM 0 HG22 VAL D 36 -0.756 -4.250 4.738 1.00 0.00 H new ATOM 0 HG23 VAL D 36 1.003 -4.512 4.683 1.00 0.00 H new ATOM 2448 N GLY D 37 2.142 -4.728 1.096 1.00 0.00 N ATOM 2449 CA GLY D 37 3.250 -5.637 0.927 1.00 0.00 C ATOM 2450 C GLY D 37 4.565 -4.907 0.809 1.00 0.00 C ATOM 2451 O GLY D 37 4.671 -3.910 0.095 1.00 0.00 O ATOM 0 H GLY D 37 2.113 -3.957 0.428 1.00 0.00 H new ATOM 0 HA2 GLY D 37 3.290 -6.322 1.774 1.00 0.00 H new ATOM 0 HA3 GLY D 37 3.090 -6.242 0.035 1.00 0.00 H new ATOM 2455 N GLY D 38 5.566 -5.403 1.509 1.00 0.00 N ATOM 2456 CA GLY D 38 6.872 -4.791 1.468 1.00 0.00 C ATOM 2457 C GLY D 38 7.947 -5.802 1.148 1.00 0.00 C ATOM 2458 O GLY D 38 7.867 -6.955 1.577 1.00 0.00 O ATOM 0 H GLY D 38 5.497 -6.225 2.109 1.00 0.00 H new ATOM 0 HA2 GLY D 38 6.881 -4.000 0.719 1.00 0.00 H new ATOM 0 HA3 GLY D 38 7.086 -4.323 2.429 1.00 0.00 H new ATOM 2462 N VAL D 39 8.939 -5.384 0.386 1.00 0.00 N ATOM 2463 CA VAL D 39 10.037 -6.261 0.022 1.00 0.00 C ATOM 2464 C VAL D 39 11.373 -5.535 0.138 1.00 0.00 C ATOM 2465 O VAL D 39 11.525 -4.402 -0.323 1.00 0.00 O ATOM 2466 CB VAL D 39 9.864 -6.827 -1.410 1.00 0.00 C ATOM 2467 CG1 VAL D 39 9.707 -5.708 -2.430 1.00 0.00 C ATOM 2468 CG2 VAL D 39 11.035 -7.727 -1.781 1.00 0.00 C ATOM 0 H VAL D 39 9.008 -4.440 0.006 1.00 0.00 H new ATOM 0 HA VAL D 39 10.028 -7.097 0.721 1.00 0.00 H new ATOM 0 HB VAL D 39 8.952 -7.424 -1.422 1.00 0.00 H new ATOM 0 HG11 VAL D 39 9.588 -6.137 -3.425 1.00 0.00 H new ATOM 0 HG12 VAL D 39 8.828 -5.112 -2.184 1.00 0.00 H new ATOM 0 HG13 VAL D 39 10.593 -5.073 -2.413 1.00 0.00 H new ATOM 0 HG21 VAL D 39 10.892 -8.113 -2.790 1.00 0.00 H new ATOM 0 HG22 VAL D 39 11.961 -7.154 -1.739 1.00 0.00 H new ATOM 0 HG23 VAL D 39 11.091 -8.559 -1.079 1.00 0.00 H new ATOM 2478 N VAL D 40 12.328 -6.182 0.785 1.00 0.00 N ATOM 2479 CA VAL D 40 13.675 -5.654 0.889 1.00 0.00 C ATOM 2480 C VAL D 40 14.647 -6.613 0.218 1.00 0.00 C ATOM 2481 O VAL D 40 14.827 -7.744 0.673 1.00 0.00 O ATOM 2482 CB VAL D 40 14.105 -5.433 2.358 1.00 0.00 C ATOM 2483 CG1 VAL D 40 15.498 -4.825 2.428 1.00 0.00 C ATOM 2484 CG2 VAL D 40 13.100 -4.554 3.089 1.00 0.00 C ATOM 0 H VAL D 40 12.192 -7.080 1.249 1.00 0.00 H new ATOM 0 HA VAL D 40 13.688 -4.684 0.391 1.00 0.00 H new ATOM 0 HB VAL D 40 14.131 -6.405 2.851 1.00 0.00 H new ATOM 0 HG11 VAL D 40 15.779 -4.679 3.471 1.00 0.00 H new ATOM 0 HG12 VAL D 40 16.212 -5.496 1.950 1.00 0.00 H new ATOM 0 HG13 VAL D 40 15.502 -3.864 1.913 1.00 0.00 H new ATOM 0 HG21 VAL D 40 13.423 -4.412 4.120 1.00 0.00 H new ATOM 0 HG22 VAL D 40 13.035 -3.586 2.593 1.00 0.00 H new ATOM 0 HG23 VAL D 40 12.121 -5.034 3.078 1.00 0.00 H new ATOM 2494 N ILE D 41 15.244 -6.167 -0.873 1.00 0.00 N ATOM 2495 CA ILE D 41 16.185 -6.984 -1.617 1.00 0.00 C ATOM 2496 C ILE D 41 17.599 -6.468 -1.408 1.00 0.00 C ATOM 2497 O ILE D 41 17.928 -5.354 -1.812 1.00 0.00 O ATOM 2498 CB ILE D 41 15.866 -6.984 -3.128 1.00 0.00 C ATOM 2499 CG1 ILE D 41 14.409 -7.382 -3.365 1.00 0.00 C ATOM 2500 CG2 ILE D 41 16.805 -7.929 -3.870 1.00 0.00 C ATOM 2501 CD1 ILE D 41 13.982 -7.297 -4.815 1.00 0.00 C ATOM 0 H ILE D 41 15.092 -5.238 -1.265 1.00 0.00 H new ATOM 0 HA ILE D 41 16.099 -8.005 -1.246 1.00 0.00 H new ATOM 0 HB ILE D 41 16.016 -5.976 -3.514 1.00 0.00 H new ATOM 0 HG12 ILE D 41 14.258 -8.402 -3.010 1.00 0.00 H new ATOM 0 HG13 ILE D 41 13.764 -6.738 -2.767 1.00 0.00 H new ATOM 0 HG21 ILE D 41 16.567 -7.917 -4.934 1.00 0.00 H new ATOM 0 HG22 ILE D 41 17.836 -7.606 -3.725 1.00 0.00 H new ATOM 0 HG23 ILE D 41 16.684 -8.941 -3.482 1.00 0.00 H new ATOM 0 HD11 ILE D 41 12.937 -7.594 -4.905 1.00 0.00 H new ATOM 0 HD12 ILE D 41 14.100 -6.273 -5.170 1.00 0.00 H new ATOM 0 HD13 ILE D 41 14.601 -7.963 -5.416 1.00 0.00 H new ATOM 2513 N ALA D 42 18.422 -7.273 -0.768 1.00 0.00 N ATOM 2514 CA ALA D 42 19.801 -6.913 -0.510 1.00 0.00 C ATOM 2515 C ALA D 42 20.674 -8.151 -0.602 1.00 0.00 C ATOM 2516 O ALA D 42 20.911 -8.797 0.441 1.00 0.00 O ATOM 2517 CB ALA D 42 19.934 -6.249 0.853 1.00 0.00 C ATOM 2518 OXT ALA D 42 21.085 -8.497 -1.728 1.00 0.00 O ATOM 0 H ALA D 42 18.155 -8.191 -0.413 1.00 0.00 H new ATOM 0 HA ALA D 42 20.132 -6.195 -1.261 1.00 0.00 H new ATOM 0 HB1 ALA D 42 20.977 -5.986 1.029 1.00 0.00 H new ATOM 0 HB2 ALA D 42 19.323 -5.347 0.880 1.00 0.00 H new ATOM 0 HB3 ALA D 42 19.598 -6.938 1.628 1.00 0.00 H new