USER MOD reduce.3.24.130724 H: found=0, std=0, add=316, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 316 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 12 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 15 MET CE :methyl -164:sc= -3.03! (180deg=-4.04!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 19 LYS NZ :NH3+ -173:sc= -0.398 (180deg=-0.434) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 31 SER OG : rot -48:sc= 0.848 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= -2.68! C(o=-2.7!,f=-2.7!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 116:sc= 1.31 USER MOD Single : A 44 CYS SG : rot 162:sc= -1.23 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl -169:sc= -5.08! (180deg=-5.34) USER MOD ----------------------------------------------------------------- ATOM 157 N PHE A 11 -10.915 20.454 22.672 1.00 0.00 N ATOM 158 CA PHE A 11 -10.067 21.525 22.075 1.00 0.00 C ATOM 159 C PHE A 11 -10.807 22.864 22.094 1.00 0.00 C ATOM 160 O PHE A 11 -10.219 23.910 21.908 1.00 0.00 O ATOM 161 CB PHE A 11 -9.818 21.072 20.638 1.00 0.00 C ATOM 162 CG PHE A 11 -8.796 19.960 20.629 1.00 0.00 C ATOM 163 CD1 PHE A 11 -9.167 18.665 21.011 1.00 0.00 C ATOM 164 CD2 PHE A 11 -7.478 20.225 20.242 1.00 0.00 C ATOM 165 CE1 PHE A 11 -8.218 17.636 21.003 1.00 0.00 C ATOM 166 CE2 PHE A 11 -6.530 19.197 20.235 1.00 0.00 C ATOM 167 CZ PHE A 11 -6.900 17.902 20.615 1.00 0.00 C ATOM 0 HA PHE A 11 -9.138 21.671 22.626 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -10.749 20.728 20.188 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -9.464 21.910 20.038 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -10.184 18.460 21.311 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -7.192 21.224 19.948 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -8.503 16.636 21.296 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -5.513 19.402 19.936 1.00 0.00 H new ATOM 0 HZ PHE A 11 -6.168 17.108 20.609 1.00 0.00 H new ATOM 177 N GLN A 12 -12.093 22.842 22.315 1.00 0.00 N ATOM 178 CA GLN A 12 -12.861 24.119 22.344 1.00 0.00 C ATOM 179 C GLN A 12 -12.121 25.156 23.193 1.00 0.00 C ATOM 180 O GLN A 12 -12.271 26.347 23.005 1.00 0.00 O ATOM 181 CB GLN A 12 -14.204 23.762 22.980 1.00 0.00 C ATOM 182 CG GLN A 12 -15.144 24.966 22.896 1.00 0.00 C ATOM 183 CD GLN A 12 -16.565 24.531 23.266 1.00 0.00 C ATOM 184 OE1 GLN A 12 -17.096 23.601 22.693 1.00 0.00 O ATOM 185 NE2 GLN A 12 -17.205 25.169 24.208 1.00 0.00 N ATOM 0 H GLN A 12 -12.643 21.998 22.476 1.00 0.00 H new ATOM 0 HA GLN A 12 -12.986 24.550 21.351 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -14.645 22.906 22.468 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -14.060 23.471 24.021 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -14.806 25.753 23.570 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -15.130 25.382 21.889 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -16.759 25.950 24.689 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -18.151 24.887 24.463 1.00 0.00 H new ATOM 194 N ALA A 13 -11.321 24.713 24.123 1.00 0.00 N ATOM 195 CA ALA A 13 -10.569 25.672 24.984 1.00 0.00 C ATOM 196 C ALA A 13 -9.336 26.196 24.242 1.00 0.00 C ATOM 197 O ALA A 13 -8.791 27.229 24.579 1.00 0.00 O ATOM 198 CB ALA A 13 -10.152 24.860 26.210 1.00 0.00 C ATOM 0 H ALA A 13 -11.155 23.727 24.325 1.00 0.00 H new ATOM 0 HA ALA A 13 -11.169 26.541 25.255 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.592 25.497 26.895 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.041 24.479 26.714 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -9.526 24.024 25.897 1.00 0.00 H new ATOM 204 N PHE A 14 -8.890 25.493 23.236 1.00 0.00 N ATOM 205 CA PHE A 14 -7.694 25.953 22.479 1.00 0.00 C ATOM 206 C PHE A 14 -8.117 26.893 21.350 1.00 0.00 C ATOM 207 O PHE A 14 -7.383 27.119 20.411 1.00 0.00 O ATOM 208 CB PHE A 14 -7.071 24.679 21.913 1.00 0.00 C ATOM 209 CG PHE A 14 -6.915 23.656 23.014 1.00 0.00 C ATOM 210 CD1 PHE A 14 -6.826 24.067 24.350 1.00 0.00 C ATOM 211 CD2 PHE A 14 -6.860 22.295 22.697 1.00 0.00 C ATOM 212 CE1 PHE A 14 -6.684 23.117 25.368 1.00 0.00 C ATOM 213 CE2 PHE A 14 -6.716 21.344 23.713 1.00 0.00 C ATOM 214 CZ PHE A 14 -6.629 21.755 25.048 1.00 0.00 C ATOM 0 H PHE A 14 -9.303 24.620 22.907 1.00 0.00 H new ATOM 0 HA PHE A 14 -6.993 26.504 23.105 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -7.699 24.278 21.117 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -6.100 24.903 21.471 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -6.867 25.118 24.595 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -6.929 21.978 21.667 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -6.617 23.434 26.398 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -6.672 20.293 23.467 1.00 0.00 H new ATOM 0 HZ PHE A 14 -6.519 21.021 25.832 1.00 0.00 H new ATOM 224 N MET A 15 -9.297 27.437 21.435 1.00 0.00 N ATOM 225 CA MET A 15 -9.767 28.363 20.367 1.00 0.00 C ATOM 226 C MET A 15 -9.207 29.767 20.596 1.00 0.00 C ATOM 227 O MET A 15 -9.067 30.218 21.715 1.00 0.00 O ATOM 228 CB MET A 15 -11.289 28.370 20.490 1.00 0.00 C ATOM 229 CG MET A 15 -11.851 27.107 19.842 1.00 0.00 C ATOM 230 SD MET A 15 -13.577 27.383 19.371 1.00 0.00 S ATOM 231 CE MET A 15 -14.217 27.704 21.032 1.00 0.00 C ATOM 0 H MET A 15 -9.957 27.281 22.197 1.00 0.00 H new ATOM 0 HA MET A 15 -9.438 28.048 19.377 1.00 0.00 H new ATOM 0 HB2 MET A 15 -11.581 28.415 21.539 1.00 0.00 H new ATOM 0 HB3 MET A 15 -11.701 29.256 20.006 1.00 0.00 H new ATOM 0 HG2 MET A 15 -11.262 26.843 18.964 1.00 0.00 H new ATOM 0 HG3 MET A 15 -11.782 26.269 20.535 1.00 0.00 H new ATOM 0 HE1 MET A 15 -15.304 27.622 21.025 1.00 0.00 H new ATOM 0 HE2 MET A 15 -13.802 26.976 21.729 1.00 0.00 H new ATOM 0 HE3 MET A 15 -13.931 28.708 21.344 1.00 0.00 H new ATOM 241 N LYS A 16 -8.892 30.461 19.541 1.00 0.00 N ATOM 242 CA LYS A 16 -8.346 31.840 19.685 1.00 0.00 C ATOM 243 C LYS A 16 -9.159 32.810 18.824 1.00 0.00 C ATOM 244 O LYS A 16 -8.867 33.017 17.662 1.00 0.00 O ATOM 245 CB LYS A 16 -6.905 31.754 19.185 1.00 0.00 C ATOM 246 CG LYS A 16 -6.087 32.899 19.788 1.00 0.00 C ATOM 247 CD LYS A 16 -5.321 33.621 18.677 1.00 0.00 C ATOM 248 CE LYS A 16 -4.631 34.858 19.254 1.00 0.00 C ATOM 249 NZ LYS A 16 -3.424 35.053 18.401 1.00 0.00 N ATOM 0 H LYS A 16 -8.989 30.133 18.580 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.394 32.202 20.712 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.469 30.795 19.464 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.882 31.810 18.097 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.746 33.598 20.303 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.390 32.510 20.531 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.582 32.952 18.236 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -6.004 33.912 17.879 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.286 35.729 19.218 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.357 34.707 20.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.895 35.885 18.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.817 34.210 18.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.717 35.200 17.414 1.00 0.00 H new ATOM 263 N ASN A 17 -10.181 33.396 19.381 1.00 0.00 N ATOM 264 CA ASN A 17 -11.017 34.342 18.589 1.00 0.00 C ATOM 265 C ASN A 17 -11.541 33.642 17.335 1.00 0.00 C ATOM 266 O ASN A 17 -11.428 34.144 16.235 1.00 0.00 O ATOM 267 CB ASN A 17 -10.080 35.490 18.214 1.00 0.00 C ATOM 268 CG ASN A 17 -9.614 36.206 19.483 1.00 0.00 C ATOM 269 OD1 ASN A 17 -10.421 36.650 20.276 1.00 0.00 O ATOM 270 ND2 ASN A 17 -8.336 36.338 19.709 1.00 0.00 N ATOM 0 H ASN A 17 -10.474 33.262 20.349 1.00 0.00 H new ATOM 0 HA ASN A 17 -11.884 34.698 19.146 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -9.221 35.107 17.664 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -10.593 36.191 17.556 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -8.014 36.814 20.552 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -7.659 35.965 19.043 1.00 0.00 H new ATOM 277 N GLY A 18 -12.111 32.481 17.497 1.00 0.00 N ATOM 278 CA GLY A 18 -12.639 31.738 16.319 1.00 0.00 C ATOM 279 C GLY A 18 -11.488 31.014 15.617 1.00 0.00 C ATOM 280 O GLY A 18 -11.640 30.496 14.529 1.00 0.00 O ATOM 0 H GLY A 18 -12.234 32.014 18.395 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -13.395 31.020 16.637 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -13.125 32.427 15.628 1.00 0.00 H new ATOM 284 N LYS A 19 -10.337 30.973 16.232 1.00 0.00 N ATOM 285 CA LYS A 19 -9.177 30.283 15.599 1.00 0.00 C ATOM 286 C LYS A 19 -8.658 29.169 16.511 1.00 0.00 C ATOM 287 O LYS A 19 -8.035 29.421 17.523 1.00 0.00 O ATOM 288 CB LYS A 19 -8.117 31.369 15.427 1.00 0.00 C ATOM 289 CG LYS A 19 -7.088 30.916 14.388 1.00 0.00 C ATOM 290 CD LYS A 19 -6.160 29.867 15.008 1.00 0.00 C ATOM 291 CE LYS A 19 -5.028 29.547 14.029 1.00 0.00 C ATOM 292 NZ LYS A 19 -3.950 28.957 14.871 1.00 0.00 N ATOM 0 H LYS A 19 -10.150 31.387 17.145 1.00 0.00 H new ATOM 0 HA LYS A 19 -9.443 29.817 14.650 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.584 32.301 15.110 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -7.625 31.567 16.380 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.594 30.499 13.517 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -6.507 31.770 14.040 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.749 30.238 15.947 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.721 28.962 15.241 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.356 28.848 13.260 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.683 30.445 13.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -3.095 28.820 14.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -3.736 29.599 15.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -4.265 28.040 15.246 1.00 0.00 H new ATOM 306 N LEU A 20 -8.910 27.939 16.158 1.00 0.00 N ATOM 307 CA LEU A 20 -8.432 26.806 17.001 1.00 0.00 C ATOM 308 C LEU A 20 -7.001 26.425 16.606 1.00 0.00 C ATOM 309 O LEU A 20 -6.749 25.998 15.496 1.00 0.00 O ATOM 310 CB LEU A 20 -9.408 25.663 16.697 1.00 0.00 C ATOM 311 CG LEU A 20 -8.778 24.316 17.063 1.00 0.00 C ATOM 312 CD1 LEU A 20 -8.661 24.200 18.583 1.00 0.00 C ATOM 313 CD2 LEU A 20 -9.659 23.183 16.535 1.00 0.00 C ATOM 0 H LEU A 20 -9.427 27.669 15.321 1.00 0.00 H new ATOM 0 HA LEU A 20 -8.408 27.049 18.063 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -10.331 25.805 17.258 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -9.673 25.673 15.640 1.00 0.00 H new ATOM 0 HG LEU A 20 -7.786 24.248 16.617 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -8.212 23.241 18.841 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -8.035 25.007 18.962 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -9.652 24.269 19.031 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -9.212 22.223 16.795 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -10.650 23.254 16.982 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -9.743 23.263 15.451 1.00 0.00 H new ATOM 325 N PHE A 21 -6.062 26.565 17.504 1.00 0.00 N ATOM 326 CA PHE A 21 -4.656 26.195 17.161 1.00 0.00 C ATOM 327 C PHE A 21 -4.360 24.767 17.627 1.00 0.00 C ATOM 328 O PHE A 21 -3.842 24.542 18.702 1.00 0.00 O ATOM 329 CB PHE A 21 -3.747 27.209 17.873 1.00 0.00 C ATOM 330 CG PHE A 21 -4.241 27.494 19.274 1.00 0.00 C ATOM 331 CD1 PHE A 21 -3.834 26.685 20.343 1.00 0.00 C ATOM 332 CD2 PHE A 21 -5.097 28.579 19.505 1.00 0.00 C ATOM 333 CE1 PHE A 21 -4.284 26.960 21.641 1.00 0.00 C ATOM 334 CE2 PHE A 21 -5.547 28.853 20.802 1.00 0.00 C ATOM 335 CZ PHE A 21 -5.141 28.044 21.870 1.00 0.00 C ATOM 0 H PHE A 21 -6.204 26.916 18.451 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.487 26.222 16.084 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -2.729 26.822 17.915 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -3.713 28.136 17.301 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -3.173 25.849 20.166 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -5.410 29.204 18.682 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -3.970 26.336 22.465 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -6.208 29.689 20.979 1.00 0.00 H new ATOM 0 HZ PHE A 21 -5.489 28.256 22.870 1.00 0.00 H new ATOM 345 N CYS A 22 -4.693 23.799 16.817 1.00 0.00 N ATOM 346 CA CYS A 22 -4.441 22.378 17.193 1.00 0.00 C ATOM 347 C CYS A 22 -2.973 22.160 17.615 1.00 0.00 C ATOM 348 O CYS A 22 -2.724 21.522 18.618 1.00 0.00 O ATOM 349 CB CYS A 22 -4.805 21.569 15.935 1.00 0.00 C ATOM 350 SG CYS A 22 -3.943 19.973 15.925 1.00 0.00 S ATOM 0 H CYS A 22 -5.131 23.932 15.906 1.00 0.00 H new ATOM 0 HA CYS A 22 -5.032 22.068 18.055 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -5.882 21.406 15.901 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -4.540 22.136 15.043 1.00 0.00 H new ATOM 355 N PRO A 23 -2.039 22.679 16.847 1.00 0.00 N ATOM 356 CA PRO A 23 -0.607 22.499 17.186 1.00 0.00 C ATOM 357 C PRO A 23 -0.281 23.142 18.538 1.00 0.00 C ATOM 358 O PRO A 23 0.201 24.255 18.608 1.00 0.00 O ATOM 359 CB PRO A 23 0.107 23.220 16.042 1.00 0.00 C ATOM 360 CG PRO A 23 -0.951 23.786 15.077 1.00 0.00 C ATOM 361 CD PRO A 23 -2.347 23.460 15.624 1.00 0.00 C ATOM 0 HA PRO A 23 -0.312 21.454 17.283 1.00 0.00 H new ATOM 0 HB2 PRO A 23 0.730 24.024 16.433 1.00 0.00 H new ATOM 0 HB3 PRO A 23 0.768 22.531 15.516 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -0.829 24.864 14.974 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -0.825 23.354 14.084 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -2.915 24.362 15.851 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -2.937 22.883 14.912 1.00 0.00 H new ATOM 369 N GLN A 24 -0.536 22.444 19.611 1.00 0.00 N ATOM 370 CA GLN A 24 -0.236 23.006 20.959 1.00 0.00 C ATOM 371 C GLN A 24 0.902 22.219 21.614 1.00 0.00 C ATOM 372 O GLN A 24 2.042 22.637 21.616 1.00 0.00 O ATOM 373 CB GLN A 24 -1.532 22.842 21.755 1.00 0.00 C ATOM 374 CG GLN A 24 -1.250 23.060 23.243 1.00 0.00 C ATOM 375 CD GLN A 24 -2.539 22.854 24.042 1.00 0.00 C ATOM 376 OE1 GLN A 24 -3.096 23.795 24.570 1.00 0.00 O ATOM 377 NE2 GLN A 24 -3.039 21.654 24.152 1.00 0.00 N ATOM 0 H GLN A 24 -0.940 21.507 19.612 1.00 0.00 H new ATOM 0 HA GLN A 24 0.082 24.047 20.913 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -2.278 23.557 21.407 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.946 21.846 21.595 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -0.483 22.365 23.584 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -0.864 24.066 23.407 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -2.571 20.864 23.708 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -3.898 21.506 24.682 1.00 0.00 H new ATOM 386 N ASP A 25 0.598 21.077 22.167 1.00 0.00 N ATOM 387 CA ASP A 25 1.657 20.256 22.819 1.00 0.00 C ATOM 388 C ASP A 25 1.372 18.767 22.602 1.00 0.00 C ATOM 389 O ASP A 25 1.087 18.037 23.530 1.00 0.00 O ATOM 390 CB ASP A 25 1.576 20.610 24.305 1.00 0.00 C ATOM 391 CG ASP A 25 2.677 19.871 25.068 1.00 0.00 C ATOM 392 OD1 ASP A 25 3.594 19.389 24.424 1.00 0.00 O ATOM 393 OD2 ASP A 25 2.585 19.803 26.283 1.00 0.00 O ATOM 0 H ASP A 25 -0.340 20.676 22.195 1.00 0.00 H new ATOM 0 HA ASP A 25 2.648 20.454 22.410 1.00 0.00 H new ATOM 0 HB2 ASP A 25 1.685 21.686 24.440 1.00 0.00 H new ATOM 0 HB3 ASP A 25 0.598 20.337 24.702 1.00 0.00 H new ATOM 398 N LYS A 26 1.443 18.313 21.380 1.00 0.00 N ATOM 399 CA LYS A 26 1.171 16.874 21.094 1.00 0.00 C ATOM 400 C LYS A 26 2.094 15.969 21.917 1.00 0.00 C ATOM 401 O LYS A 26 1.870 14.780 22.026 1.00 0.00 O ATOM 402 CB LYS A 26 1.448 16.708 19.601 1.00 0.00 C ATOM 403 CG LYS A 26 0.215 17.138 18.804 1.00 0.00 C ATOM 404 CD LYS A 26 0.594 17.305 17.330 1.00 0.00 C ATOM 405 CE LYS A 26 0.417 15.971 16.604 1.00 0.00 C ATOM 406 NZ LYS A 26 0.806 16.250 15.193 1.00 0.00 N ATOM 0 H LYS A 26 1.678 18.878 20.564 1.00 0.00 H new ATOM 0 HA LYS A 26 0.151 16.594 21.357 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.310 17.309 19.311 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.694 15.670 19.379 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.575 16.394 18.906 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.178 18.075 19.198 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -0.031 18.069 16.867 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.627 17.643 17.245 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.046 15.196 17.042 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -0.613 15.619 16.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 0.711 15.382 14.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.186 16.987 14.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 1.793 16.577 15.163 1.00 0.00 H new ATOM 420 N LYS A 27 3.129 16.517 22.496 1.00 0.00 N ATOM 421 CA LYS A 27 4.058 15.682 23.310 1.00 0.00 C ATOM 422 C LYS A 27 3.270 14.690 24.171 1.00 0.00 C ATOM 423 O LYS A 27 3.762 13.637 24.527 1.00 0.00 O ATOM 424 CB LYS A 27 4.807 16.682 24.191 1.00 0.00 C ATOM 425 CG LYS A 27 5.807 17.465 23.337 1.00 0.00 C ATOM 426 CD LYS A 27 6.528 18.494 24.212 1.00 0.00 C ATOM 427 CE LYS A 27 7.443 19.354 23.339 1.00 0.00 C ATOM 428 NZ LYS A 27 8.110 20.288 24.291 1.00 0.00 N ATOM 0 H LYS A 27 3.371 17.506 22.440 1.00 0.00 H new ATOM 0 HA LYS A 27 4.734 15.091 22.692 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.102 17.366 24.664 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.328 16.158 24.992 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.529 16.784 22.887 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.289 17.966 22.519 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.801 19.123 24.726 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.112 17.988 24.981 1.00 0.00 H new ATOM 0 HE2 LYS A 27 8.173 18.742 22.808 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.874 19.898 22.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.756 20.913 23.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.391 20.861 24.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.649 19.742 24.993 1.00 0.00 H new ATOM 442 N PHE A 28 2.050 15.014 24.505 1.00 0.00 N ATOM 443 CA PHE A 28 1.234 14.086 25.338 1.00 0.00 C ATOM 444 C PHE A 28 1.155 12.707 24.676 1.00 0.00 C ATOM 445 O PHE A 28 0.806 11.727 25.304 1.00 0.00 O ATOM 446 CB PHE A 28 -0.152 14.728 25.405 1.00 0.00 C ATOM 447 CG PHE A 28 -0.027 16.163 25.861 1.00 0.00 C ATOM 448 CD1 PHE A 28 0.749 16.477 26.984 1.00 0.00 C ATOM 449 CD2 PHE A 28 -0.689 17.180 25.163 1.00 0.00 C ATOM 450 CE1 PHE A 28 0.862 17.808 27.407 1.00 0.00 C ATOM 451 CE2 PHE A 28 -0.575 18.509 25.585 1.00 0.00 C ATOM 452 CZ PHE A 28 0.200 18.823 26.707 1.00 0.00 C ATOM 0 H PHE A 28 1.584 15.881 24.237 1.00 0.00 H new ATOM 0 HA PHE A 28 1.663 13.937 26.329 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -0.630 14.688 24.426 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -0.788 14.172 26.093 1.00 0.00 H new ATOM 0 HD1 PHE A 28 1.260 15.693 27.524 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.288 16.938 24.298 1.00 0.00 H new ATOM 0 HE1 PHE A 28 1.460 18.051 28.273 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -1.085 19.293 25.045 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.287 19.849 27.033 1.00 0.00 H new ATOM 462 N PHE A 29 1.476 12.621 23.412 1.00 0.00 N ATOM 463 CA PHE A 29 1.417 11.304 22.710 1.00 0.00 C ATOM 464 C PHE A 29 1.979 10.197 23.606 1.00 0.00 C ATOM 465 O PHE A 29 1.625 9.041 23.478 1.00 0.00 O ATOM 466 CB PHE A 29 2.291 11.476 21.467 1.00 0.00 C ATOM 467 CG PHE A 29 2.142 10.267 20.575 1.00 0.00 C ATOM 468 CD1 PHE A 29 2.609 9.017 21.002 1.00 0.00 C ATOM 469 CD2 PHE A 29 1.534 10.395 19.320 1.00 0.00 C ATOM 470 CE1 PHE A 29 2.469 7.897 20.174 1.00 0.00 C ATOM 471 CE2 PHE A 29 1.393 9.274 18.493 1.00 0.00 C ATOM 472 CZ PHE A 29 1.861 8.025 18.920 1.00 0.00 C ATOM 0 H PHE A 29 1.777 13.406 22.835 1.00 0.00 H new ATOM 0 HA PHE A 29 0.395 11.021 22.457 1.00 0.00 H new ATOM 0 HB2 PHE A 29 2.001 12.377 20.927 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.334 11.601 21.757 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.077 8.918 21.970 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.174 11.358 18.990 1.00 0.00 H new ATOM 0 HE1 PHE A 29 2.830 6.934 20.503 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.923 9.373 17.526 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.753 7.161 18.282 1.00 0.00 H new ATOM 482 N GLN A 30 2.855 10.542 24.507 1.00 0.00 N ATOM 483 CA GLN A 30 3.446 9.513 25.410 1.00 0.00 C ATOM 484 C GLN A 30 2.379 8.939 26.350 1.00 0.00 C ATOM 485 O GLN A 30 2.632 8.015 27.097 1.00 0.00 O ATOM 486 CB GLN A 30 4.518 10.263 26.202 1.00 0.00 C ATOM 487 CG GLN A 30 3.851 11.154 27.252 1.00 0.00 C ATOM 488 CD GLN A 30 4.920 11.966 27.985 1.00 0.00 C ATOM 489 OE1 GLN A 30 5.860 11.412 28.520 1.00 0.00 O ATOM 490 NE2 GLN A 30 4.815 13.266 28.032 1.00 0.00 N ATOM 0 H GLN A 30 3.189 11.494 24.658 1.00 0.00 H new ATOM 0 HA GLN A 30 3.857 8.667 24.859 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.190 9.554 26.686 1.00 0.00 H new ATOM 0 HB3 GLN A 30 5.125 10.869 25.529 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.135 11.823 26.775 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.293 10.543 27.962 1.00 0.00 H new ATOM 0 HE21 GLN A 30 4.026 13.730 27.583 1.00 0.00 H new ATOM 0 HE22 GLN A 30 5.522 13.818 28.518 1.00 0.00 H new ATOM 499 N SER A 31 1.187 9.474 26.319 1.00 0.00 N ATOM 500 CA SER A 31 0.114 8.949 27.212 1.00 0.00 C ATOM 501 C SER A 31 -1.174 8.729 26.412 1.00 0.00 C ATOM 502 O SER A 31 -1.405 9.365 25.404 1.00 0.00 O ATOM 503 CB SER A 31 -0.090 10.035 28.269 1.00 0.00 C ATOM 504 OG SER A 31 -0.502 11.239 27.638 1.00 0.00 O ATOM 0 H SER A 31 0.911 10.249 25.716 1.00 0.00 H new ATOM 0 HA SER A 31 0.379 7.991 27.660 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.840 9.716 28.993 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.836 10.199 28.820 1.00 0.00 H new ATOM 0 HG SER A 31 0.087 11.428 26.878 1.00 0.00 H new ATOM 510 N LEU A 32 -2.014 7.832 26.852 1.00 0.00 N ATOM 511 CA LEU A 32 -3.282 7.575 26.111 1.00 0.00 C ATOM 512 C LEU A 32 -4.027 8.888 25.874 1.00 0.00 C ATOM 513 O LEU A 32 -4.420 9.199 24.767 1.00 0.00 O ATOM 514 CB LEU A 32 -4.098 6.655 27.016 1.00 0.00 C ATOM 515 CG LEU A 32 -5.109 5.879 26.171 1.00 0.00 C ATOM 516 CD1 LEU A 32 -5.519 4.602 26.908 1.00 0.00 C ATOM 517 CD2 LEU A 32 -6.346 6.748 25.931 1.00 0.00 C ATOM 0 H LEU A 32 -1.878 7.267 27.690 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.103 7.126 25.134 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.438 5.963 27.540 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.616 7.240 27.776 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.657 5.617 25.215 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.240 4.049 26.305 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.639 3.982 27.080 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.971 4.863 27.865 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.067 6.196 25.329 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.797 7.010 26.888 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.055 7.658 25.405 1.00 0.00 H new ATOM 529 N ASP A 33 -4.214 9.664 26.902 1.00 0.00 N ATOM 530 CA ASP A 33 -4.924 10.960 26.729 1.00 0.00 C ATOM 531 C ASP A 33 -4.239 11.761 25.629 1.00 0.00 C ATOM 532 O ASP A 33 -4.876 12.428 24.839 1.00 0.00 O ATOM 533 CB ASP A 33 -4.800 11.672 28.076 1.00 0.00 C ATOM 534 CG ASP A 33 -5.610 10.917 29.131 1.00 0.00 C ATOM 535 OD1 ASP A 33 -6.379 10.050 28.749 1.00 0.00 O ATOM 536 OD2 ASP A 33 -5.448 11.218 30.302 1.00 0.00 O ATOM 0 H ASP A 33 -3.907 9.458 27.853 1.00 0.00 H new ATOM 0 HA ASP A 33 -5.969 10.835 26.444 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.753 11.725 28.376 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.160 12.697 27.991 1.00 0.00 H new ATOM 541 N GLY A 34 -2.940 11.684 25.563 1.00 0.00 N ATOM 542 CA GLY A 34 -2.209 12.422 24.503 1.00 0.00 C ATOM 543 C GLY A 34 -2.493 11.744 23.166 1.00 0.00 C ATOM 544 O GLY A 34 -2.871 12.376 22.199 1.00 0.00 O ATOM 0 H GLY A 34 -2.355 11.141 26.198 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.528 13.464 24.476 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.139 12.422 24.709 1.00 0.00 H new ATOM 548 N ILE A 35 -2.332 10.454 23.110 1.00 0.00 N ATOM 549 CA ILE A 35 -2.609 9.728 21.842 1.00 0.00 C ATOM 550 C ILE A 35 -4.035 10.037 21.386 1.00 0.00 C ATOM 551 O ILE A 35 -4.321 10.103 20.207 1.00 0.00 O ATOM 552 CB ILE A 35 -2.440 8.242 22.189 1.00 0.00 C ATOM 553 CG1 ILE A 35 -0.977 7.846 21.991 1.00 0.00 C ATOM 554 CG2 ILE A 35 -3.320 7.378 21.278 1.00 0.00 C ATOM 555 CD1 ILE A 35 -0.558 8.174 20.556 1.00 0.00 C ATOM 0 H ILE A 35 -2.021 9.871 23.887 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.945 10.018 21.028 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.738 8.083 23.225 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.344 8.381 22.699 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.846 6.782 22.187 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.189 6.327 21.536 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.365 7.657 21.411 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.032 7.535 20.239 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.485 7.894 20.408 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.185 7.619 19.858 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.675 9.243 20.378 1.00 0.00 H new ATOM 567 N MET A 36 -4.931 10.235 22.313 1.00 0.00 N ATOM 568 CA MET A 36 -6.335 10.547 21.927 1.00 0.00 C ATOM 569 C MET A 36 -6.451 12.013 21.509 1.00 0.00 C ATOM 570 O MET A 36 -6.751 12.322 20.373 1.00 0.00 O ATOM 571 CB MET A 36 -7.166 10.289 23.180 1.00 0.00 C ATOM 572 CG MET A 36 -7.643 8.835 23.188 1.00 0.00 C ATOM 573 SD MET A 36 -8.671 8.528 21.730 1.00 0.00 S ATOM 574 CE MET A 36 -10.255 9.008 22.463 1.00 0.00 C ATOM 0 H MET A 36 -4.753 10.194 23.316 1.00 0.00 H new ATOM 0 HA MET A 36 -6.671 9.942 21.085 1.00 0.00 H new ATOM 0 HB2 MET A 36 -6.572 10.493 24.071 1.00 0.00 H new ATOM 0 HB3 MET A 36 -8.022 10.963 23.206 1.00 0.00 H new ATOM 0 HG2 MET A 36 -6.787 8.160 23.191 1.00 0.00 H new ATOM 0 HG3 MET A 36 -8.211 8.633 24.096 1.00 0.00 H new ATOM 0 HE1 MET A 36 -11.048 8.894 21.723 1.00 0.00 H new ATOM 0 HE2 MET A 36 -10.466 8.371 23.322 1.00 0.00 H new ATOM 0 HE3 MET A 36 -10.206 10.048 22.786 1.00 0.00 H new ATOM 584 N PHE A 37 -6.217 12.923 22.416 1.00 0.00 N ATOM 585 CA PHE A 37 -6.317 14.363 22.053 1.00 0.00 C ATOM 586 C PHE A 37 -5.588 14.599 20.723 1.00 0.00 C ATOM 587 O PHE A 37 -6.127 15.188 19.807 1.00 0.00 O ATOM 588 CB PHE A 37 -5.675 15.118 23.239 1.00 0.00 C ATOM 589 CG PHE A 37 -4.489 15.946 22.792 1.00 0.00 C ATOM 590 CD1 PHE A 37 -3.225 15.357 22.692 1.00 0.00 C ATOM 591 CD2 PHE A 37 -4.657 17.298 22.476 1.00 0.00 C ATOM 592 CE1 PHE A 37 -2.130 16.115 22.274 1.00 0.00 C ATOM 593 CE2 PHE A 37 -3.559 18.059 22.058 1.00 0.00 C ATOM 594 CZ PHE A 37 -2.296 17.466 21.956 1.00 0.00 C ATOM 0 H PHE A 37 -5.963 12.732 23.385 1.00 0.00 H new ATOM 0 HA PHE A 37 -7.339 14.710 21.899 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.418 15.766 23.704 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -5.356 14.403 23.997 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -3.096 14.314 22.939 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.633 17.754 22.554 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.155 15.658 22.196 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.687 19.103 21.814 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.449 18.052 21.631 1.00 0.00 H new ATOM 604 N ILE A 38 -4.376 14.127 20.601 1.00 0.00 N ATOM 605 CA ILE A 38 -3.638 14.314 19.321 1.00 0.00 C ATOM 606 C ILE A 38 -4.509 13.846 18.156 1.00 0.00 C ATOM 607 O ILE A 38 -4.532 14.449 17.101 1.00 0.00 O ATOM 608 CB ILE A 38 -2.389 13.440 19.443 1.00 0.00 C ATOM 609 CG1 ILE A 38 -1.402 14.088 20.416 1.00 0.00 C ATOM 610 CG2 ILE A 38 -1.734 13.299 18.067 1.00 0.00 C ATOM 611 CD1 ILE A 38 -0.035 13.410 20.291 1.00 0.00 C ATOM 0 H ILE A 38 -3.869 13.623 21.328 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.379 15.357 19.137 1.00 0.00 H new ATOM 0 HB ILE A 38 -2.669 12.455 19.817 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.312 15.153 20.202 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.771 13.998 21.438 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.843 12.676 18.150 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.437 12.836 17.375 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.454 14.284 17.694 1.00 0.00 H new ATOM 0 HD11 ILE A 38 0.666 13.874 20.985 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.132 12.350 20.527 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.335 13.523 19.272 1.00 0.00 H new ATOM 623 N ASN A 39 -5.233 12.777 18.343 1.00 0.00 N ATOM 624 CA ASN A 39 -6.112 12.275 17.248 1.00 0.00 C ATOM 625 C ASN A 39 -7.286 13.233 17.044 1.00 0.00 C ATOM 626 O ASN A 39 -7.750 13.437 15.940 1.00 0.00 O ATOM 627 CB ASN A 39 -6.606 10.909 17.725 1.00 0.00 C ATOM 628 CG ASN A 39 -5.514 9.862 17.499 1.00 0.00 C ATOM 629 OD1 ASN A 39 -4.789 9.925 16.526 1.00 0.00 O ATOM 630 ND2 ASN A 39 -5.364 8.896 18.364 1.00 0.00 N ATOM 0 H ASN A 39 -5.255 12.230 19.204 1.00 0.00 H new ATOM 0 HA ASN A 39 -5.588 12.202 16.295 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -6.868 10.954 18.782 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -7.510 10.629 17.185 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -4.638 8.194 18.223 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -5.973 8.844 19.181 1.00 0.00 H new ATOM 637 N LYS A 40 -7.762 13.825 18.102 1.00 0.00 N ATOM 638 CA LYS A 40 -8.904 14.776 17.975 1.00 0.00 C ATOM 639 C LYS A 40 -8.396 16.156 17.545 1.00 0.00 C ATOM 640 O LYS A 40 -9.141 16.970 17.037 1.00 0.00 O ATOM 641 CB LYS A 40 -9.524 14.841 19.370 1.00 0.00 C ATOM 642 CG LYS A 40 -10.219 13.514 19.681 1.00 0.00 C ATOM 643 CD LYS A 40 -10.746 13.537 21.117 1.00 0.00 C ATOM 644 CE LYS A 40 -12.234 13.898 21.109 1.00 0.00 C ATOM 645 NZ LYS A 40 -12.673 13.732 22.523 1.00 0.00 N ATOM 0 H LYS A 40 -7.411 13.693 19.050 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.627 14.456 17.225 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.753 15.043 20.113 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.241 15.661 19.423 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -11.040 13.350 18.984 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -9.521 12.687 19.552 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -10.600 12.564 21.585 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -10.188 14.263 21.709 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -12.391 14.920 20.763 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -12.796 13.245 20.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -13.684 13.961 22.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -12.517 12.748 22.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -12.125 14.371 23.134 1.00 0.00 H new ATOM 659 N CYS A 41 -7.133 16.424 17.742 1.00 0.00 N ATOM 660 CA CYS A 41 -6.582 17.751 17.341 1.00 0.00 C ATOM 661 C CYS A 41 -7.013 18.087 15.912 1.00 0.00 C ATOM 662 O CYS A 41 -7.745 19.028 15.678 1.00 0.00 O ATOM 663 CB CYS A 41 -5.063 17.592 17.418 1.00 0.00 C ATOM 664 SG CYS A 41 -4.304 19.201 17.755 1.00 0.00 S ATOM 0 H CYS A 41 -6.460 15.783 18.162 1.00 0.00 H new ATOM 0 HA CYS A 41 -6.939 18.557 17.982 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -4.800 16.882 18.203 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -4.681 17.187 16.481 1.00 0.00 H new ATOM 669 N ALA A 42 -6.567 17.322 14.954 1.00 0.00 N ATOM 670 CA ALA A 42 -6.956 17.596 13.541 1.00 0.00 C ATOM 671 C ALA A 42 -8.455 17.358 13.353 1.00 0.00 C ATOM 672 O ALA A 42 -9.105 18.013 12.562 1.00 0.00 O ATOM 673 CB ALA A 42 -6.144 16.604 12.708 1.00 0.00 C ATOM 0 H ALA A 42 -5.951 16.520 15.088 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.760 18.628 13.249 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.374 16.742 11.652 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.080 16.776 12.873 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.398 15.586 13.005 1.00 0.00 H new ATOM 679 N THR A 43 -9.010 16.425 14.077 1.00 0.00 N ATOM 680 CA THR A 43 -10.469 16.144 13.943 1.00 0.00 C ATOM 681 C THR A 43 -11.284 17.345 14.427 1.00 0.00 C ATOM 682 O THR A 43 -12.069 17.912 13.694 1.00 0.00 O ATOM 683 CB THR A 43 -10.723 14.928 14.834 1.00 0.00 C ATOM 684 OG1 THR A 43 -9.813 13.892 14.489 1.00 0.00 O ATOM 685 CG2 THR A 43 -12.158 14.437 14.635 1.00 0.00 C ATOM 0 H THR A 43 -8.517 15.845 14.756 1.00 0.00 H new ATOM 0 HA THR A 43 -10.761 15.958 12.909 1.00 0.00 H new ATOM 0 HB THR A 43 -10.579 15.206 15.878 1.00 0.00 H new ATOM 0 HG1 THR A 43 -9.221 13.710 15.249 1.00 0.00 H new ATOM 0 HG21 THR A 43 -12.337 13.570 15.271 1.00 0.00 H new ATOM 0 HG22 THR A 43 -12.855 15.232 14.900 1.00 0.00 H new ATOM 0 HG23 THR A 43 -12.306 14.158 13.592 1.00 0.00 H new ATOM 693 N CYS A 44 -11.104 17.740 15.657 1.00 0.00 N ATOM 694 CA CYS A 44 -11.871 18.907 16.182 1.00 0.00 C ATOM 695 C CYS A 44 -11.648 20.130 15.288 1.00 0.00 C ATOM 696 O CYS A 44 -12.532 20.939 15.095 1.00 0.00 O ATOM 697 CB CYS A 44 -11.305 19.155 17.582 1.00 0.00 C ATOM 698 SG CYS A 44 -11.593 17.696 18.615 1.00 0.00 S ATOM 0 H CYS A 44 -10.461 17.307 16.320 1.00 0.00 H new ATOM 0 HA CYS A 44 -12.945 18.721 16.204 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -10.237 19.367 17.522 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -11.779 20.029 18.028 1.00 0.00 H new ATOM 0 HG CYS A 44 -10.809 17.737 19.651 1.00 0.00 H new ATOM 703 N LYS A 45 -10.471 20.270 14.744 1.00 0.00 N ATOM 704 CA LYS A 45 -10.190 21.441 13.863 1.00 0.00 C ATOM 705 C LYS A 45 -11.161 21.469 12.678 1.00 0.00 C ATOM 706 O LYS A 45 -11.785 22.474 12.402 1.00 0.00 O ATOM 707 CB LYS A 45 -8.756 21.229 13.374 1.00 0.00 C ATOM 708 CG LYS A 45 -8.399 22.313 12.355 1.00 0.00 C ATOM 709 CD LYS A 45 -7.450 21.733 11.304 1.00 0.00 C ATOM 710 CE LYS A 45 -6.977 22.850 10.371 1.00 0.00 C ATOM 711 NZ LYS A 45 -5.793 22.281 9.666 1.00 0.00 N ATOM 0 H LYS A 45 -9.691 19.625 14.871 1.00 0.00 H new ATOM 0 HA LYS A 45 -10.311 22.388 14.389 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.064 21.264 14.216 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.657 20.242 12.921 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.303 22.689 11.876 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.929 23.159 12.857 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.594 21.264 11.790 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.956 20.956 10.731 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.758 23.134 9.666 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.711 23.747 10.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.409 22.987 9.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.064 22.026 10.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.079 21.432 9.137 1.00 0.00 H new ATOM 725 N MET A 46 -11.291 20.379 11.973 1.00 0.00 N ATOM 726 CA MET A 46 -12.219 20.355 10.804 1.00 0.00 C ATOM 727 C MET A 46 -13.646 20.682 11.250 1.00 0.00 C ATOM 728 O MET A 46 -14.462 21.133 10.471 1.00 0.00 O ATOM 729 CB MET A 46 -12.132 18.931 10.249 1.00 0.00 C ATOM 730 CG MET A 46 -12.775 17.944 11.225 1.00 0.00 C ATOM 731 SD MET A 46 -14.044 16.984 10.362 1.00 0.00 S ATOM 732 CE MET A 46 -15.110 18.374 9.906 1.00 0.00 C ATOM 0 H MET A 46 -10.797 19.505 12.154 1.00 0.00 H new ATOM 0 HA MET A 46 -11.950 21.096 10.051 1.00 0.00 H new ATOM 0 HB2 MET A 46 -12.634 18.878 9.283 1.00 0.00 H new ATOM 0 HB3 MET A 46 -11.089 18.661 10.081 1.00 0.00 H new ATOM 0 HG2 MET A 46 -12.017 17.278 11.637 1.00 0.00 H new ATOM 0 HG3 MET A 46 -13.218 18.481 12.064 1.00 0.00 H new ATOM 0 HE1 MET A 46 -16.061 17.996 9.530 1.00 0.00 H new ATOM 0 HE2 MET A 46 -15.289 18.998 10.782 1.00 0.00 H new ATOM 0 HE3 MET A 46 -14.624 18.967 9.131 1.00 0.00 H new ATOM 742 N ILE A 47 -13.952 20.461 12.497 1.00 0.00 N ATOM 743 CA ILE A 47 -15.326 20.764 12.990 1.00 0.00 C ATOM 744 C ILE A 47 -15.630 22.251 12.798 1.00 0.00 C ATOM 745 O ILE A 47 -16.741 22.634 12.489 1.00 0.00 O ATOM 746 CB ILE A 47 -15.306 20.407 14.477 1.00 0.00 C ATOM 747 CG1 ILE A 47 -14.848 18.956 14.648 1.00 0.00 C ATOM 748 CG2 ILE A 47 -16.712 20.569 15.059 1.00 0.00 C ATOM 749 CD1 ILE A 47 -15.633 18.057 13.690 1.00 0.00 C ATOM 0 H ILE A 47 -13.312 20.084 13.196 1.00 0.00 H new ATOM 0 HA ILE A 47 -16.093 20.206 12.452 1.00 0.00 H new ATOM 0 HB ILE A 47 -14.617 21.070 15.000 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -13.780 18.875 14.447 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -15.004 18.633 15.677 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -16.699 20.315 16.119 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -17.039 21.602 14.938 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -17.401 19.906 14.536 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -15.307 17.024 13.811 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -16.698 18.130 13.912 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -15.454 18.376 12.663 1.00 0.00 H new ATOM 761 N LEU A 48 -14.647 23.091 12.974 1.00 0.00 N ATOM 762 CA LEU A 48 -14.873 24.553 12.795 1.00 0.00 C ATOM 763 C LEU A 48 -14.914 24.897 11.304 1.00 0.00 C ATOM 764 O LEU A 48 -15.707 25.705 10.864 1.00 0.00 O ATOM 765 CB LEU A 48 -13.677 25.226 13.467 1.00 0.00 C ATOM 766 CG LEU A 48 -13.819 25.124 14.986 1.00 0.00 C ATOM 767 CD1 LEU A 48 -15.176 25.690 15.410 1.00 0.00 C ATOM 768 CD2 LEU A 48 -13.721 23.659 15.412 1.00 0.00 C ATOM 0 H LEU A 48 -13.697 22.828 13.234 1.00 0.00 H new ATOM 0 HA LEU A 48 -15.818 24.882 13.226 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -12.751 24.750 13.145 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -13.619 26.272 13.166 1.00 0.00 H new ATOM 0 HG LEU A 48 -13.022 25.694 15.464 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -15.278 25.618 16.493 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -15.245 26.735 15.108 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -15.973 25.121 14.932 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -13.822 23.587 16.495 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -14.517 23.087 14.935 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -12.754 23.256 15.111 1.00 0.00 H new