USER MOD reduce.3.24.130724 H: found=0, std=0, add=356, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 356 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 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot -57:sc= 0.422 USER MOD Single : A 19 CYS SG : rot 180:sc= 0.0277 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0537 USER MOD Single : A 25 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.607) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot -150:sc= -0.473 USER MOD Single : A 44 THR OG1 : rot 19:sc= -0.455 USER MOD Single : A 46 ASN :FLIP amide:sc= -1.69! C(o=-4.2!,f=-1.7!) USER MOD Single : A 52 THR OG1 : rot 74:sc= 0.555 USER MOD Single : A 56 LYS NZ :NH3+ 176:sc= -0.0148 (180deg=-0.036) USER MOD Single : A 57 LYS NZ :NH3+ 177:sc= -1.32 (180deg=-1.46) USER MOD Single : A 59 HIS : no HE2:sc= -0.227 X(o=-0.23,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 164 N GLY A 12 40.546 -4.723 10.431 1.00 1.00 N ATOM 165 CA GLY A 12 40.241 -5.906 11.226 1.00 1.00 C ATOM 166 C GLY A 12 39.555 -6.970 10.378 1.00 1.00 C ATOM 167 O GLY A 12 38.778 -7.779 10.887 1.00 1.00 O ATOM 0 HA2 GLY A 12 41.160 -6.310 11.650 1.00 1.00 H new ATOM 0 HA3 GLY A 12 39.598 -5.631 12.062 1.00 1.00 H new ATOM 171 N ALA A 13 39.850 -6.960 9.081 1.00 1.00 N ATOM 172 CA ALA A 13 39.262 -7.928 8.160 1.00 1.00 C ATOM 173 C ALA A 13 40.348 -8.618 7.340 1.00 1.00 C ATOM 174 O ALA A 13 40.182 -9.758 6.906 1.00 1.00 O ATOM 175 CB ALA A 13 38.283 -7.223 7.219 1.00 1.00 C ATOM 0 H ALA A 13 40.490 -6.296 8.645 1.00 1.00 H new ATOM 0 HA ALA A 13 38.731 -8.680 8.744 1.00 1.00 H new ATOM 0 HB1 ALA A 13 37.848 -7.951 6.534 1.00 1.00 H new ATOM 0 HB2 ALA A 13 37.490 -6.755 7.803 1.00 1.00 H new ATOM 0 HB3 ALA A 13 38.812 -6.460 6.648 1.00 1.00 H new ATOM 181 N ASP A 14 41.461 -7.920 7.134 1.00 1.00 N ATOM 182 CA ASP A 14 42.568 -8.478 6.364 1.00 1.00 C ATOM 183 C ASP A 14 43.603 -9.105 7.293 1.00 1.00 C ATOM 184 O ASP A 14 44.315 -10.033 6.906 1.00 1.00 O ATOM 185 CB ASP A 14 43.228 -7.380 5.529 1.00 1.00 C ATOM 186 CG ASP A 14 43.602 -6.201 6.420 1.00 1.00 C ATOM 187 OD1 ASP A 14 43.517 -6.345 7.628 1.00 1.00 O ATOM 188 OD2 ASP A 14 43.969 -5.169 5.880 1.00 1.00 O ATOM 0 H ASP A 14 41.620 -6.976 7.486 1.00 1.00 H new ATOM 0 HA ASP A 14 42.174 -9.250 5.703 1.00 1.00 H new ATOM 0 HB2 ASP A 14 44.118 -7.771 5.037 1.00 1.00 H new ATOM 0 HB3 ASP A 14 42.548 -7.051 4.743 1.00 1.00 H new ATOM 193 N ASN A 15 43.680 -8.595 8.517 1.00 1.00 N ATOM 194 CA ASN A 15 44.633 -9.114 9.491 1.00 1.00 C ATOM 195 C ASN A 15 44.508 -10.630 9.606 1.00 1.00 C ATOM 196 O ASN A 15 45.470 -11.318 9.951 1.00 1.00 O ATOM 197 CB ASN A 15 44.383 -8.475 10.859 1.00 1.00 C ATOM 198 CG ASN A 15 45.392 -7.359 11.105 1.00 1.00 C ATOM 199 OD1 ASN A 15 46.485 -7.610 11.612 1.00 1.00 O ATOM 200 ND2 ASN A 15 45.088 -6.134 10.775 1.00 1.00 N ATOM 0 H ASN A 15 43.099 -7.829 8.857 1.00 1.00 H new ATOM 0 HA ASN A 15 45.640 -8.867 9.154 1.00 1.00 H new ATOM 0 HB2 ASN A 15 43.369 -8.077 10.904 1.00 1.00 H new ATOM 0 HB3 ASN A 15 44.464 -9.229 11.642 1.00 1.00 H new ATOM 0 HD21 ASN A 15 45.757 -5.381 10.937 1.00 1.00 H new ATOM 0 HD22 ASN A 15 44.181 -5.929 10.355 1.00 1.00 H new ATOM 207 N GLN A 16 43.319 -11.145 9.314 1.00 1.00 N ATOM 208 CA GLN A 16 43.080 -12.582 9.387 1.00 1.00 C ATOM 209 C GLN A 16 43.325 -13.235 8.030 1.00 1.00 C ATOM 210 O GLN A 16 43.856 -14.342 7.950 1.00 1.00 O ATOM 211 CB GLN A 16 41.642 -12.850 9.834 1.00 1.00 C ATOM 212 CG GLN A 16 40.688 -12.600 8.664 1.00 1.00 C ATOM 213 CD GLN A 16 39.265 -12.421 9.181 1.00 1.00 C ATOM 214 OE1 GLN A 16 38.921 -11.359 9.701 1.00 1.00 O ATOM 215 NE2 GLN A 16 38.411 -13.402 9.068 1.00 1.00 N ATOM 0 H GLN A 16 42.511 -10.594 9.026 1.00 1.00 H new ATOM 0 HA GLN A 16 43.771 -13.011 10.113 1.00 1.00 H new ATOM 0 HB2 GLN A 16 41.544 -13.878 10.183 1.00 1.00 H new ATOM 0 HB3 GLN A 16 41.384 -12.203 10.672 1.00 1.00 H new ATOM 0 HG2 GLN A 16 40.998 -11.711 8.114 1.00 1.00 H new ATOM 0 HG3 GLN A 16 40.728 -13.437 7.966 1.00 1.00 H new ATOM 0 HE21 GLN A 16 38.698 -14.281 8.637 1.00 1.00 H new ATOM 0 HE22 GLN A 16 37.457 -13.290 9.411 1.00 1.00 H new ATOM 224 N SER A 17 42.933 -12.541 6.966 1.00 1.00 N ATOM 225 CA SER A 17 43.115 -13.064 5.617 1.00 1.00 C ATOM 226 C SER A 17 44.596 -13.278 5.322 1.00 1.00 C ATOM 227 O SER A 17 44.975 -14.260 4.684 1.00 1.00 O ATOM 228 CB SER A 17 42.524 -12.095 4.596 1.00 1.00 C ATOM 229 OG SER A 17 43.490 -11.104 4.274 1.00 1.00 O ATOM 0 H SER A 17 42.491 -11.623 7.011 1.00 1.00 H new ATOM 0 HA SER A 17 42.600 -14.022 5.546 1.00 1.00 H new ATOM 0 HB2 SER A 17 42.226 -12.634 3.697 1.00 1.00 H new ATOM 0 HB3 SER A 17 41.626 -11.627 5.000 1.00 1.00 H new ATOM 0 HG SER A 17 43.774 -10.646 5.092 1.00 1.00 H new ATOM 235 N GLU A 18 45.428 -12.352 5.790 1.00 1.00 N ATOM 236 CA GLU A 18 46.867 -12.451 5.572 1.00 1.00 C ATOM 237 C GLU A 18 47.339 -13.888 5.759 1.00 1.00 C ATOM 238 O GLU A 18 47.647 -14.583 4.791 1.00 1.00 O ATOM 239 CB GLU A 18 47.607 -11.540 6.553 1.00 1.00 C ATOM 240 CG GLU A 18 47.991 -10.239 5.849 1.00 1.00 C ATOM 241 CD GLU A 18 48.562 -9.248 6.858 1.00 1.00 C ATOM 242 OE1 GLU A 18 49.295 -9.681 7.733 1.00 1.00 O ATOM 243 OE2 GLU A 18 48.262 -8.072 6.740 1.00 1.00 O ATOM 0 H GLU A 18 45.133 -11.531 6.318 1.00 1.00 H new ATOM 0 HA GLU A 18 47.083 -12.138 4.550 1.00 1.00 H new ATOM 0 HB2 GLU A 18 46.975 -11.327 7.415 1.00 1.00 H new ATOM 0 HB3 GLU A 18 48.500 -12.040 6.928 1.00 1.00 H new ATOM 0 HG2 GLU A 18 48.726 -10.441 5.070 1.00 1.00 H new ATOM 0 HG3 GLU A 18 47.117 -9.809 5.360 1.00 1.00 H new ATOM 250 N CYS A 19 47.391 -14.326 7.011 1.00 1.00 N ATOM 251 CA CYS A 19 47.825 -15.684 7.322 1.00 1.00 C ATOM 252 C CYS A 19 47.243 -16.676 6.319 1.00 1.00 C ATOM 253 O CYS A 19 47.820 -17.736 6.073 1.00 1.00 O ATOM 254 CB CYS A 19 47.371 -16.063 8.731 1.00 1.00 C ATOM 255 SG CYS A 19 48.200 -15.000 9.939 1.00 1.00 S ATOM 0 H CYS A 19 47.140 -13.764 7.824 1.00 1.00 H new ATOM 0 HA CYS A 19 48.913 -15.720 7.264 1.00 1.00 H new ATOM 0 HB2 CYS A 19 46.290 -15.955 8.817 1.00 1.00 H new ATOM 0 HB3 CYS A 19 47.604 -17.109 8.931 1.00 1.00 H new ATOM 0 HG CYS A 19 47.812 -15.321 11.138 1.00 1.00 H new ATOM 261 N GLU A 20 46.097 -16.325 5.746 1.00 1.00 N ATOM 262 CA GLU A 20 45.443 -17.191 4.772 1.00 1.00 C ATOM 263 C GLU A 20 45.989 -16.933 3.371 1.00 1.00 C ATOM 264 O GLU A 20 46.115 -17.852 2.563 1.00 1.00 O ATOM 265 CB GLU A 20 43.933 -16.943 4.786 1.00 1.00 C ATOM 266 CG GLU A 20 43.213 -18.190 5.302 1.00 1.00 C ATOM 267 CD GLU A 20 43.659 -18.496 6.729 1.00 1.00 C ATOM 268 OE1 GLU A 20 43.363 -17.700 7.604 1.00 1.00 O ATOM 269 OE2 GLU A 20 44.289 -19.522 6.924 1.00 1.00 O ATOM 0 H GLU A 20 45.604 -15.453 5.937 1.00 1.00 H new ATOM 0 HA GLU A 20 45.645 -18.227 5.042 1.00 1.00 H new ATOM 0 HB2 GLU A 20 43.701 -16.088 5.421 1.00 1.00 H new ATOM 0 HB3 GLU A 20 43.585 -16.699 3.782 1.00 1.00 H new ATOM 0 HG2 GLU A 20 42.134 -18.035 5.274 1.00 1.00 H new ATOM 0 HG3 GLU A 20 43.430 -19.039 4.654 1.00 1.00 H new ATOM 276 N TYR A 21 46.311 -15.675 3.093 1.00 1.00 N ATOM 277 CA TYR A 21 46.844 -15.302 1.788 1.00 1.00 C ATOM 278 C TYR A 21 48.024 -16.194 1.416 1.00 1.00 C ATOM 279 O TYR A 21 48.252 -16.478 0.240 1.00 1.00 O ATOM 280 CB TYR A 21 47.291 -13.840 1.811 1.00 1.00 C ATOM 281 CG TYR A 21 47.994 -13.507 0.518 1.00 1.00 C ATOM 282 CD1 TYR A 21 49.339 -13.858 0.341 1.00 1.00 C ATOM 283 CD2 TYR A 21 47.303 -12.847 -0.506 1.00 1.00 C ATOM 284 CE1 TYR A 21 49.990 -13.549 -0.860 1.00 1.00 C ATOM 285 CE2 TYR A 21 47.955 -12.538 -1.706 1.00 1.00 C ATOM 286 CZ TYR A 21 49.299 -12.890 -1.883 1.00 1.00 C ATOM 287 OH TYR A 21 49.941 -12.586 -3.065 1.00 1.00 O ATOM 0 H TYR A 21 46.213 -14.900 3.749 1.00 1.00 H new ATOM 0 HA TYR A 21 46.060 -15.431 1.042 1.00 1.00 H new ATOM 0 HB2 TYR A 21 46.429 -13.187 1.947 1.00 1.00 H new ATOM 0 HB3 TYR A 21 47.958 -13.666 2.655 1.00 1.00 H new ATOM 0 HD1 TYR A 21 49.873 -14.366 1.130 1.00 1.00 H new ATOM 0 HD2 TYR A 21 46.266 -12.576 -0.370 1.00 1.00 H new ATOM 0 HE1 TYR A 21 51.027 -13.820 -0.997 1.00 1.00 H new ATOM 0 HE2 TYR A 21 47.422 -12.028 -2.495 1.00 1.00 H new ATOM 0 HH TYR A 21 49.317 -12.130 -3.668 1.00 1.00 H new ATOM 297 N THR A 22 48.771 -16.630 2.424 1.00 1.00 N ATOM 298 CA THR A 22 49.926 -17.489 2.191 1.00 1.00 C ATOM 299 C THR A 22 49.482 -18.924 1.923 1.00 1.00 C ATOM 300 O THR A 22 50.242 -19.728 1.382 1.00 1.00 O ATOM 301 CB THR A 22 50.854 -17.458 3.407 1.00 1.00 C ATOM 302 OG1 THR A 22 50.097 -17.709 4.584 1.00 1.00 O ATOM 303 CG2 THR A 22 51.521 -16.086 3.509 1.00 1.00 C ATOM 0 H THR A 22 48.599 -16.405 3.404 1.00 1.00 H new ATOM 0 HA THR A 22 50.461 -17.117 1.317 1.00 1.00 H new ATOM 0 HB THR A 22 51.622 -18.224 3.298 1.00 1.00 H new ATOM 0 HG1 THR A 22 50.690 -17.691 5.364 1.00 1.00 H new ATOM 0 HG21 THR A 22 52.182 -16.066 4.376 1.00 1.00 H new ATOM 0 HG22 THR A 22 52.101 -15.896 2.606 1.00 1.00 H new ATOM 0 HG23 THR A 22 50.756 -15.317 3.618 1.00 1.00 H new ATOM 311 N ASP A 23 48.249 -19.237 2.305 1.00 1.00 N ATOM 312 CA ASP A 23 47.715 -20.580 2.100 1.00 1.00 C ATOM 313 C ASP A 23 46.864 -20.632 0.836 1.00 1.00 C ATOM 314 O ASP A 23 47.104 -21.449 -0.053 1.00 1.00 O ATOM 315 CB ASP A 23 46.868 -20.994 3.305 1.00 1.00 C ATOM 316 CG ASP A 23 47.679 -21.893 4.231 1.00 1.00 C ATOM 317 OD1 ASP A 23 48.883 -21.705 4.302 1.00 1.00 O ATOM 318 OD2 ASP A 23 47.087 -22.757 4.855 1.00 1.00 O ATOM 0 H ASP A 23 47.605 -18.586 2.754 1.00 1.00 H new ATOM 0 HA ASP A 23 48.551 -21.270 1.989 1.00 1.00 H new ATOM 0 HB2 ASP A 23 46.534 -20.109 3.846 1.00 1.00 H new ATOM 0 HB3 ASP A 23 45.974 -21.518 2.968 1.00 1.00 H new ATOM 323 N TRP A 24 45.869 -19.753 0.762 1.00 1.00 N ATOM 324 CA TRP A 24 44.987 -19.708 -0.398 1.00 1.00 C ATOM 325 C TRP A 24 45.790 -19.839 -1.689 1.00 1.00 C ATOM 326 O TRP A 24 45.445 -20.627 -2.569 1.00 1.00 O ATOM 327 CB TRP A 24 44.209 -18.390 -0.412 1.00 1.00 C ATOM 328 CG TRP A 24 44.030 -17.932 -1.823 1.00 1.00 C ATOM 329 CD1 TRP A 24 43.048 -18.347 -2.656 1.00 1.00 C ATOM 330 CD2 TRP A 24 44.835 -16.982 -2.581 1.00 1.00 C ATOM 331 NE1 TRP A 24 43.198 -17.713 -3.876 1.00 1.00 N ATOM 332 CE2 TRP A 24 44.286 -16.861 -3.879 1.00 1.00 C ATOM 333 CE3 TRP A 24 45.976 -16.221 -2.271 1.00 1.00 C ATOM 334 CZ2 TRP A 24 44.849 -16.016 -4.836 1.00 1.00 C ATOM 335 CZ3 TRP A 24 46.545 -15.369 -3.231 1.00 1.00 C ATOM 336 CH2 TRP A 24 45.982 -15.267 -4.511 1.00 1.00 C ATOM 0 H TRP A 24 45.655 -19.067 1.486 1.00 1.00 H new ATOM 0 HA TRP A 24 44.289 -20.542 -0.331 1.00 1.00 H new ATOM 0 HB2 TRP A 24 43.238 -18.524 0.064 1.00 1.00 H new ATOM 0 HB3 TRP A 24 44.744 -17.633 0.162 1.00 1.00 H new ATOM 0 HD1 TRP A 24 42.273 -19.058 -2.409 1.00 1.00 H new ATOM 0 HE1 TRP A 24 42.581 -17.857 -4.676 1.00 1.00 H new ATOM 0 HE3 TRP A 24 46.418 -16.292 -1.288 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 44.412 -15.942 -5.821 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 47.421 -14.789 -2.982 1.00 1.00 H new ATOM 0 HH2 TRP A 24 46.424 -14.610 -5.245 1.00 1.00 H new ATOM 347 N LYS A 25 46.862 -19.060 -1.794 1.00 1.00 N ATOM 348 CA LYS A 25 47.708 -19.097 -2.982 1.00 1.00 C ATOM 349 C LYS A 25 48.065 -20.535 -3.344 1.00 1.00 C ATOM 350 O LYS A 25 48.229 -20.868 -4.517 1.00 1.00 O ATOM 351 CB LYS A 25 48.988 -18.298 -2.737 1.00 1.00 C ATOM 352 CG LYS A 25 49.682 -18.023 -4.073 1.00 1.00 C ATOM 353 CD LYS A 25 50.923 -17.161 -3.835 1.00 1.00 C ATOM 354 CE LYS A 25 51.906 -17.351 -4.991 1.00 1.00 C ATOM 355 NZ LYS A 25 51.162 -17.336 -6.283 1.00 1.00 N ATOM 0 H LYS A 25 47.164 -18.400 -1.077 1.00 1.00 H new ATOM 0 HA LYS A 25 47.156 -18.653 -3.810 1.00 1.00 H new ATOM 0 HB2 LYS A 25 48.753 -17.358 -2.237 1.00 1.00 H new ATOM 0 HB3 LYS A 25 49.654 -18.852 -2.076 1.00 1.00 H new ATOM 0 HG2 LYS A 25 49.964 -18.962 -4.548 1.00 1.00 H new ATOM 0 HG3 LYS A 25 48.998 -17.515 -4.753 1.00 1.00 H new ATOM 0 HD2 LYS A 25 50.640 -16.112 -3.753 1.00 1.00 H new ATOM 0 HD3 LYS A 25 51.396 -17.438 -2.893 1.00 1.00 H new ATOM 0 HE2 LYS A 25 52.654 -16.558 -4.981 1.00 1.00 H new ATOM 0 HE3 LYS A 25 52.440 -18.294 -4.877 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 51.817 -17.108 -7.058 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 50.739 -18.271 -6.451 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 50.411 -16.618 -6.243 1.00 1.00 H new ATOM 369 N SER A 26 48.182 -21.384 -2.328 1.00 1.00 N ATOM 370 CA SER A 26 48.522 -22.785 -2.551 1.00 1.00 C ATOM 371 C SER A 26 47.258 -23.637 -2.628 1.00 1.00 C ATOM 372 O SER A 26 47.146 -24.522 -3.476 1.00 1.00 O ATOM 373 CB SER A 26 49.415 -23.293 -1.420 1.00 1.00 C ATOM 374 OG SER A 26 50.237 -24.345 -1.908 1.00 1.00 O ATOM 0 H SER A 26 48.048 -21.129 -1.349 1.00 1.00 H new ATOM 0 HA SER A 26 49.057 -22.863 -3.497 1.00 1.00 H new ATOM 0 HB2 SER A 26 50.033 -22.481 -1.036 1.00 1.00 H new ATOM 0 HB3 SER A 26 48.804 -23.648 -0.590 1.00 1.00 H new ATOM 0 HG SER A 26 50.813 -24.672 -1.186 1.00 1.00 H new ATOM 380 N SER A 27 46.312 -23.365 -1.736 1.00 1.00 N ATOM 381 CA SER A 27 45.061 -24.114 -1.712 1.00 1.00 C ATOM 382 C SER A 27 44.145 -23.667 -2.846 1.00 1.00 C ATOM 383 O SER A 27 42.998 -24.104 -2.940 1.00 1.00 O ATOM 384 CB SER A 27 44.354 -23.908 -0.373 1.00 1.00 C ATOM 385 OG SER A 27 45.016 -24.666 0.630 1.00 1.00 O ATOM 0 H SER A 27 46.386 -22.637 -1.025 1.00 1.00 H new ATOM 0 HA SER A 27 45.292 -25.171 -1.842 1.00 1.00 H new ATOM 0 HB2 SER A 27 44.356 -22.851 -0.107 1.00 1.00 H new ATOM 0 HB3 SER A 27 43.311 -24.216 -0.448 1.00 1.00 H new ATOM 0 HG SER A 27 44.566 -24.534 1.490 1.00 1.00 H new ATOM 391 N GLY A 28 44.659 -22.793 -3.706 1.00 1.00 N ATOM 392 CA GLY A 28 43.876 -22.294 -4.831 1.00 1.00 C ATOM 393 C GLY A 28 43.974 -23.240 -6.022 1.00 1.00 C ATOM 394 O GLY A 28 43.246 -23.094 -7.004 1.00 1.00 O ATOM 0 H GLY A 28 45.606 -22.418 -3.647 1.00 1.00 H new ATOM 0 HA2 GLY A 28 42.833 -22.184 -4.533 1.00 1.00 H new ATOM 0 HA3 GLY A 28 44.232 -21.304 -5.117 1.00 1.00 H new ATOM 398 N ALA A 29 44.878 -24.209 -5.929 1.00 1.00 N ATOM 399 CA ALA A 29 45.060 -25.176 -7.005 1.00 1.00 C ATOM 400 C ALA A 29 44.213 -26.418 -6.750 1.00 1.00 C ATOM 401 O ALA A 29 44.674 -27.545 -6.933 1.00 1.00 O ATOM 402 CB ALA A 29 46.534 -25.571 -7.109 1.00 1.00 C ATOM 0 H ALA A 29 45.492 -24.345 -5.126 1.00 1.00 H new ATOM 0 HA ALA A 29 44.743 -24.718 -7.942 1.00 1.00 H new ATOM 0 HB1 ALA A 29 46.661 -26.294 -7.915 1.00 1.00 H new ATOM 0 HB2 ALA A 29 47.134 -24.685 -7.318 1.00 1.00 H new ATOM 0 HB3 ALA A 29 46.859 -26.016 -6.168 1.00 1.00 H new ATOM 408 N LEU A 30 42.972 -26.200 -6.325 1.00 1.00 N ATOM 409 CA LEU A 30 42.063 -27.307 -6.045 1.00 1.00 C ATOM 410 C LEU A 30 40.657 -26.794 -5.737 1.00 1.00 C ATOM 411 O LEU A 30 39.670 -27.489 -5.979 1.00 1.00 O ATOM 412 CB LEU A 30 42.580 -28.121 -4.856 1.00 1.00 C ATOM 413 CG LEU A 30 42.596 -27.245 -3.601 1.00 1.00 C ATOM 414 CD1 LEU A 30 41.433 -27.639 -2.688 1.00 1.00 C ATOM 415 CD2 LEU A 30 43.917 -27.448 -2.856 1.00 1.00 C ATOM 0 H LEU A 30 42.575 -25.274 -6.168 1.00 1.00 H new ATOM 0 HA LEU A 30 42.018 -27.941 -6.931 1.00 1.00 H new ATOM 0 HB2 LEU A 30 41.945 -28.992 -4.695 1.00 1.00 H new ATOM 0 HB3 LEU A 30 43.583 -28.492 -5.065 1.00 1.00 H new ATOM 0 HG LEU A 30 42.495 -26.198 -3.888 1.00 1.00 H new ATOM 0 HD11 LEU A 30 41.445 -27.015 -1.794 1.00 1.00 H new ATOM 0 HD12 LEU A 30 40.491 -27.497 -3.217 1.00 1.00 H new ATOM 0 HD13 LEU A 30 41.534 -28.686 -2.401 1.00 1.00 H new ATOM 0 HD21 LEU A 30 43.930 -26.825 -1.962 1.00 1.00 H new ATOM 0 HD22 LEU A 30 44.016 -28.495 -2.570 1.00 1.00 H new ATOM 0 HD23 LEU A 30 44.747 -27.169 -3.505 1.00 1.00 H new ATOM 446 N PRO A 32 39.140 -24.154 -7.172 1.00 1.00 N ATOM 447 CA PRO A 32 38.434 -23.744 -8.424 1.00 1.00 C ATOM 448 C PRO A 32 37.640 -24.893 -9.036 1.00 1.00 C ATOM 449 O PRO A 32 36.470 -24.736 -9.385 1.00 1.00 O ATOM 450 CB PRO A 32 39.557 -23.297 -9.369 1.00 1.00 C ATOM 451 CG PRO A 32 40.749 -23.064 -8.501 1.00 1.00 C ATOM 452 CD PRO A 32 40.598 -23.994 -7.302 1.00 1.00 C ATOM 0 HA PRO A 32 37.704 -22.958 -8.232 1.00 1.00 H new ATOM 0 HB2 PRO A 32 39.763 -24.060 -10.120 1.00 1.00 H new ATOM 0 HB3 PRO A 32 39.279 -22.389 -9.904 1.00 1.00 H new ATOM 0 HG2 PRO A 32 41.671 -23.276 -9.043 1.00 1.00 H new ATOM 0 HG3 PRO A 32 40.799 -22.023 -8.181 1.00 1.00 H new ATOM 0 HD2 PRO A 32 41.093 -24.950 -7.471 1.00 1.00 H new ATOM 0 HD3 PRO A 32 41.036 -23.563 -6.402 1.00 1.00 H new ATOM 460 N ALA A 33 38.283 -26.049 -9.164 1.00 1.00 N ATOM 461 CA ALA A 33 37.627 -27.218 -9.737 1.00 1.00 C ATOM 462 C ALA A 33 36.234 -27.395 -9.143 1.00 1.00 C ATOM 463 O ALA A 33 35.229 -27.239 -9.836 1.00 1.00 O ATOM 464 CB ALA A 33 38.461 -28.471 -9.467 1.00 1.00 C ATOM 0 H ALA A 33 39.251 -26.201 -8.881 1.00 1.00 H new ATOM 0 HA ALA A 33 37.535 -27.068 -10.813 1.00 1.00 H new ATOM 0 HB1 ALA A 33 37.963 -29.339 -9.899 1.00 1.00 H new ATOM 0 HB2 ALA A 33 39.447 -28.356 -9.918 1.00 1.00 H new ATOM 0 HB3 ALA A 33 38.568 -28.612 -8.391 1.00 1.00 H new ATOM 470 N ILE A 34 36.180 -27.718 -7.855 1.00 1.00 N ATOM 471 CA ILE A 34 34.902 -27.910 -7.181 1.00 1.00 C ATOM 472 C ILE A 34 33.961 -26.754 -7.496 1.00 1.00 C ATOM 473 O ILE A 34 32.844 -26.962 -7.971 1.00 1.00 O ATOM 474 CB ILE A 34 35.119 -28.008 -5.667 1.00 1.00 C ATOM 475 CG1 ILE A 34 35.471 -29.455 -5.301 1.00 1.00 C ATOM 476 CG2 ILE A 34 33.850 -27.577 -4.925 1.00 1.00 C ATOM 477 CD1 ILE A 34 34.194 -30.261 -5.046 1.00 1.00 C ATOM 0 H ILE A 34 36.999 -27.851 -7.262 1.00 1.00 H new ATOM 0 HA ILE A 34 34.453 -28.837 -7.538 1.00 1.00 H new ATOM 0 HB ILE A 34 35.936 -27.348 -5.375 1.00 1.00 H new ATOM 0 HG12 ILE A 34 36.044 -29.913 -6.107 1.00 1.00 H new ATOM 0 HG13 ILE A 34 36.103 -29.470 -4.413 1.00 1.00 H new ATOM 0 HG21 ILE A 34 34.014 -27.650 -3.850 1.00 1.00 H new ATOM 0 HG22 ILE A 34 33.608 -26.547 -5.186 1.00 1.00 H new ATOM 0 HG23 ILE A 34 33.023 -28.227 -5.211 1.00 1.00 H new ATOM 0 HD11 ILE A 34 34.457 -31.287 -4.787 1.00 1.00 H new ATOM 0 HD12 ILE A 34 33.637 -29.810 -4.224 1.00 1.00 H new ATOM 0 HD13 ILE A 34 33.578 -30.260 -5.945 1.00 1.00 H new ATOM 489 N TYR A 35 34.420 -25.536 -7.235 1.00 1.00 N ATOM 490 CA TYR A 35 33.611 -24.354 -7.501 1.00 1.00 C ATOM 491 C TYR A 35 32.904 -24.490 -8.844 1.00 1.00 C ATOM 492 O TYR A 35 31.677 -24.556 -8.907 1.00 1.00 O ATOM 493 CB TYR A 35 34.495 -23.106 -7.513 1.00 1.00 C ATOM 494 CG TYR A 35 34.162 -22.240 -6.322 1.00 1.00 C ATOM 495 CD1 TYR A 35 34.588 -22.615 -5.042 1.00 1.00 C ATOM 496 CD2 TYR A 35 33.428 -21.061 -6.498 1.00 1.00 C ATOM 497 CE1 TYR A 35 34.279 -21.810 -3.938 1.00 1.00 C ATOM 498 CE2 TYR A 35 33.120 -20.256 -5.394 1.00 1.00 C ATOM 499 CZ TYR A 35 33.546 -20.631 -4.114 1.00 1.00 C ATOM 500 OH TYR A 35 33.243 -19.838 -3.026 1.00 1.00 O ATOM 0 H TYR A 35 35.341 -25.342 -6.842 1.00 1.00 H new ATOM 0 HA TYR A 35 32.864 -24.260 -6.713 1.00 1.00 H new ATOM 0 HB2 TYR A 35 35.546 -23.392 -7.485 1.00 1.00 H new ATOM 0 HB3 TYR A 35 34.341 -22.547 -8.436 1.00 1.00 H new ATOM 0 HD1 TYR A 35 35.155 -23.524 -4.906 1.00 1.00 H new ATOM 0 HD2 TYR A 35 33.099 -20.772 -7.485 1.00 1.00 H new ATOM 0 HE1 TYR A 35 34.607 -22.099 -2.950 1.00 1.00 H new ATOM 0 HE2 TYR A 35 32.554 -19.346 -5.530 1.00 1.00 H new ATOM 0 HH TYR A 35 32.730 -19.057 -3.323 1.00 1.00 H new ATOM 510 N MET A 36 33.688 -24.534 -9.916 1.00 1.00 N ATOM 511 CA MET A 36 33.131 -24.662 -11.257 1.00 1.00 C ATOM 512 C MET A 36 32.027 -25.716 -11.284 1.00 1.00 C ATOM 513 O MET A 36 30.865 -25.406 -11.545 1.00 1.00 O ATOM 514 CB MET A 36 34.233 -25.051 -12.243 1.00 1.00 C ATOM 515 CG MET A 36 34.718 -23.804 -12.982 1.00 1.00 C ATOM 516 SD MET A 36 35.157 -22.523 -11.780 1.00 1.00 S ATOM 517 CE MET A 36 34.139 -21.199 -12.478 1.00 1.00 C ATOM 0 H MET A 36 34.706 -24.483 -9.883 1.00 1.00 H new ATOM 0 HA MET A 36 32.705 -23.701 -11.546 1.00 1.00 H new ATOM 0 HB2 MET A 36 35.063 -25.518 -11.712 1.00 1.00 H new ATOM 0 HB3 MET A 36 33.856 -25.785 -12.955 1.00 1.00 H new ATOM 0 HG2 MET A 36 35.581 -24.048 -13.601 1.00 1.00 H new ATOM 0 HG3 MET A 36 33.939 -23.438 -13.651 1.00 1.00 H new ATOM 0 HE1 MET A 36 34.258 -20.295 -11.881 1.00 1.00 H new ATOM 0 HE2 MET A 36 34.453 -21.001 -13.503 1.00 1.00 H new ATOM 0 HE3 MET A 36 33.092 -21.503 -12.471 1.00 1.00 H new ATOM 527 N LEU A 37 32.400 -26.963 -11.020 1.00 1.00 N ATOM 528 CA LEU A 37 31.436 -28.057 -11.024 1.00 1.00 C ATOM 529 C LEU A 37 30.240 -27.733 -10.133 1.00 1.00 C ATOM 530 O LEU A 37 29.147 -28.259 -10.338 1.00 1.00 O ATOM 531 CB LEU A 37 32.104 -29.344 -10.534 1.00 1.00 C ATOM 532 CG LEU A 37 31.213 -30.543 -10.870 1.00 1.00 C ATOM 533 CD1 LEU A 37 31.819 -31.316 -12.042 1.00 1.00 C ATOM 534 CD2 LEU A 37 31.117 -31.462 -9.651 1.00 1.00 C ATOM 0 H LEU A 37 33.357 -27.241 -10.802 1.00 1.00 H new ATOM 0 HA LEU A 37 31.082 -28.194 -12.046 1.00 1.00 H new ATOM 0 HB2 LEU A 37 33.081 -29.461 -11.004 1.00 1.00 H new ATOM 0 HB3 LEU A 37 32.272 -29.292 -9.458 1.00 1.00 H new ATOM 0 HG LEU A 37 30.218 -30.192 -11.142 1.00 1.00 H new ATOM 0 HD11 LEU A 37 31.185 -32.170 -12.281 1.00 1.00 H new ATOM 0 HD12 LEU A 37 31.891 -30.662 -12.911 1.00 1.00 H new ATOM 0 HD13 LEU A 37 32.814 -31.668 -11.770 1.00 1.00 H new ATOM 0 HD21 LEU A 37 30.483 -32.316 -9.888 1.00 1.00 H new ATOM 0 HD22 LEU A 37 32.113 -31.813 -9.381 1.00 1.00 H new ATOM 0 HD23 LEU A 37 30.687 -30.912 -8.814 1.00 1.00 H new ATOM 546 N VAL A 38 30.454 -26.872 -9.142 1.00 1.00 N ATOM 547 CA VAL A 38 29.383 -26.493 -8.223 1.00 1.00 C ATOM 548 C VAL A 38 28.889 -25.076 -8.511 1.00 1.00 C ATOM 549 O VAL A 38 28.091 -24.524 -7.753 1.00 1.00 O ATOM 550 CB VAL A 38 29.884 -26.579 -6.779 1.00 1.00 C ATOM 551 CG1 VAL A 38 28.768 -26.158 -5.822 1.00 1.00 C ATOM 552 CG2 VAL A 38 30.300 -28.019 -6.472 1.00 1.00 C ATOM 0 H VAL A 38 31.352 -26.426 -8.955 1.00 1.00 H new ATOM 0 HA VAL A 38 28.552 -27.183 -8.365 1.00 1.00 H new ATOM 0 HB VAL A 38 30.739 -25.915 -6.652 1.00 1.00 H new ATOM 0 HG11 VAL A 38 29.127 -26.220 -4.795 1.00 1.00 H new ATOM 0 HG12 VAL A 38 28.469 -25.133 -6.041 1.00 1.00 H new ATOM 0 HG13 VAL A 38 27.912 -26.821 -5.948 1.00 1.00 H new ATOM 0 HG21 VAL A 38 30.657 -28.083 -5.444 1.00 1.00 H new ATOM 0 HG22 VAL A 38 29.443 -28.680 -6.600 1.00 1.00 H new ATOM 0 HG23 VAL A 38 31.096 -28.321 -7.152 1.00 1.00 H new ATOM 562 N PHE A 39 29.371 -24.493 -9.607 1.00 1.00 N ATOM 563 CA PHE A 39 28.974 -23.138 -9.985 1.00 1.00 C ATOM 564 C PHE A 39 28.176 -23.149 -11.285 1.00 1.00 C ATOM 565 O PHE A 39 27.379 -22.249 -11.541 1.00 1.00 O ATOM 566 CB PHE A 39 30.215 -22.261 -10.157 1.00 1.00 C ATOM 567 CG PHE A 39 29.802 -20.813 -10.270 1.00 1.00 C ATOM 568 CD1 PHE A 39 29.328 -20.131 -9.143 1.00 1.00 C ATOM 569 CD2 PHE A 39 29.896 -20.152 -11.500 1.00 1.00 C ATOM 570 CE1 PHE A 39 28.948 -18.788 -9.247 1.00 1.00 C ATOM 571 CE2 PHE A 39 29.515 -18.808 -11.604 1.00 1.00 C ATOM 572 CZ PHE A 39 29.041 -18.126 -10.476 1.00 1.00 C ATOM 0 H PHE A 39 30.033 -24.934 -10.245 1.00 1.00 H new ATOM 0 HA PHE A 39 28.345 -22.733 -9.192 1.00 1.00 H new ATOM 0 HB2 PHE A 39 30.886 -22.393 -9.308 1.00 1.00 H new ATOM 0 HB3 PHE A 39 30.765 -22.563 -11.048 1.00 1.00 H new ATOM 0 HD1 PHE A 39 29.256 -20.641 -8.194 1.00 1.00 H new ATOM 0 HD2 PHE A 39 30.262 -20.678 -12.369 1.00 1.00 H new ATOM 0 HE1 PHE A 39 28.583 -18.262 -8.377 1.00 1.00 H new ATOM 0 HE2 PHE A 39 29.587 -18.298 -12.553 1.00 1.00 H new ATOM 0 HZ PHE A 39 28.747 -17.090 -10.555 1.00 1.00 H new ATOM 582 N LEU A 40 28.397 -24.173 -12.103 1.00 1.00 N ATOM 583 CA LEU A 40 27.691 -24.287 -13.374 1.00 1.00 C ATOM 584 C LEU A 40 26.575 -25.321 -13.278 1.00 1.00 C ATOM 585 O LEU A 40 25.889 -25.600 -14.261 1.00 1.00 O ATOM 586 CB LEU A 40 28.668 -24.688 -14.481 1.00 1.00 C ATOM 587 CG LEU A 40 29.327 -26.023 -14.125 1.00 1.00 C ATOM 588 CD1 LEU A 40 28.696 -27.143 -14.957 1.00 1.00 C ATOM 589 CD2 LEU A 40 30.825 -25.951 -14.431 1.00 1.00 C ATOM 0 H LEU A 40 29.053 -24.930 -11.911 1.00 1.00 H new ATOM 0 HA LEU A 40 27.252 -23.318 -13.611 1.00 1.00 H new ATOM 0 HB2 LEU A 40 28.141 -24.773 -15.432 1.00 1.00 H new ATOM 0 HB3 LEU A 40 29.429 -23.917 -14.606 1.00 1.00 H new ATOM 0 HG LEU A 40 29.179 -26.227 -13.065 1.00 1.00 H new ATOM 0 HD11 LEU A 40 29.165 -28.093 -14.703 1.00 1.00 H new ATOM 0 HD12 LEU A 40 27.628 -27.197 -14.744 1.00 1.00 H new ATOM 0 HD13 LEU A 40 28.844 -26.937 -16.017 1.00 1.00 H new ATOM 0 HD21 LEU A 40 31.294 -26.902 -14.177 1.00 1.00 H new ATOM 0 HD22 LEU A 40 30.970 -25.746 -15.492 1.00 1.00 H new ATOM 0 HD23 LEU A 40 31.279 -25.154 -13.842 1.00 1.00 H new ATOM 601 N LEU A 41 26.407 -25.896 -12.091 1.00 1.00 N ATOM 602 CA LEU A 41 25.377 -26.908 -11.885 1.00 1.00 C ATOM 603 C LEU A 41 24.155 -26.325 -11.178 1.00 1.00 C ATOM 604 O LEU A 41 23.051 -26.335 -11.722 1.00 1.00 O ATOM 605 CB LEU A 41 25.940 -28.060 -11.050 1.00 1.00 C ATOM 606 CG LEU A 41 26.188 -29.278 -11.945 1.00 1.00 C ATOM 607 CD1 LEU A 41 26.947 -30.345 -11.156 1.00 1.00 C ATOM 608 CD2 LEU A 41 24.848 -29.855 -12.417 1.00 1.00 C ATOM 0 H LEU A 41 26.965 -25.681 -11.265 1.00 1.00 H new ATOM 0 HA LEU A 41 25.067 -27.272 -12.865 1.00 1.00 H new ATOM 0 HB2 LEU A 41 26.870 -27.754 -10.572 1.00 1.00 H new ATOM 0 HB3 LEU A 41 25.242 -28.319 -10.254 1.00 1.00 H new ATOM 0 HG LEU A 41 26.777 -28.973 -12.810 1.00 1.00 H new ATOM 0 HD11 LEU A 41 27.123 -31.212 -11.793 1.00 1.00 H new ATOM 0 HD12 LEU A 41 27.902 -29.940 -10.822 1.00 1.00 H new ATOM 0 HD13 LEU A 41 26.357 -30.645 -10.290 1.00 1.00 H new ATOM 0 HD21 LEU A 41 25.029 -30.721 -13.053 1.00 1.00 H new ATOM 0 HD22 LEU A 41 24.257 -30.157 -11.552 1.00 1.00 H new ATOM 0 HD23 LEU A 41 24.304 -29.097 -12.981 1.00 1.00 H new ATOM 620 N GLY A 42 24.351 -25.839 -9.955 1.00 1.00 N ATOM 621 CA GLY A 42 23.246 -25.282 -9.180 1.00 1.00 C ATOM 622 C GLY A 42 23.234 -23.755 -9.215 1.00 1.00 C ATOM 623 O GLY A 42 22.450 -23.125 -8.504 1.00 1.00 O ATOM 0 H GLY A 42 25.255 -25.819 -9.483 1.00 1.00 H new ATOM 0 HA2 GLY A 42 22.302 -25.661 -9.571 1.00 1.00 H new ATOM 0 HA3 GLY A 42 23.321 -25.620 -8.147 1.00 1.00 H new ATOM 627 N THR A 43 24.098 -23.165 -10.037 1.00 1.00 N ATOM 628 CA THR A 43 24.162 -21.708 -10.143 1.00 1.00 C ATOM 629 C THR A 43 24.120 -21.270 -11.605 1.00 1.00 C ATOM 630 O THR A 43 24.651 -20.220 -11.967 1.00 1.00 O ATOM 631 CB THR A 43 25.441 -21.192 -9.477 1.00 1.00 C ATOM 632 OG1 THR A 43 26.085 -22.263 -8.802 1.00 1.00 O ATOM 633 CG2 THR A 43 25.087 -20.094 -8.473 1.00 1.00 C ATOM 0 H THR A 43 24.757 -23.665 -10.634 1.00 1.00 H new ATOM 0 HA THR A 43 23.296 -21.286 -9.633 1.00 1.00 H new ATOM 0 HB THR A 43 26.109 -20.786 -10.236 1.00 1.00 H new ATOM 0 HG1 THR A 43 26.577 -21.914 -8.029 1.00 1.00 H new ATOM 0 HG21 THR A 43 25.997 -19.727 -7.999 1.00 1.00 H new ATOM 0 HG22 THR A 43 24.591 -19.273 -8.991 1.00 1.00 H new ATOM 0 HG23 THR A 43 24.420 -20.498 -7.712 1.00 1.00 H new ATOM 641 N THR A 44 23.476 -22.080 -12.439 1.00 1.00 N ATOM 642 CA THR A 44 23.360 -21.766 -13.859 1.00 1.00 C ATOM 643 C THR A 44 21.942 -22.041 -14.351 1.00 1.00 C ATOM 644 O THR A 44 21.341 -21.216 -15.038 1.00 1.00 O ATOM 645 CB THR A 44 24.357 -22.604 -14.663 1.00 1.00 C ATOM 646 OG1 THR A 44 25.629 -21.972 -14.638 1.00 1.00 O ATOM 647 CG2 THR A 44 23.880 -22.730 -16.111 1.00 1.00 C ATOM 0 H THR A 44 23.029 -22.953 -12.159 1.00 1.00 H new ATOM 0 HA THR A 44 23.583 -20.708 -14.000 1.00 1.00 H new ATOM 0 HB THR A 44 24.431 -23.598 -14.222 1.00 1.00 H new ATOM 0 HG1 THR A 44 25.663 -21.335 -13.894 1.00 1.00 H new ATOM 0 HG21 THR A 44 24.594 -23.327 -16.678 1.00 1.00 H new ATOM 0 HG22 THR A 44 22.904 -23.214 -16.132 1.00 1.00 H new ATOM 0 HG23 THR A 44 23.802 -21.738 -16.556 1.00 1.00 H new ATOM 655 N GLY A 45 21.413 -23.206 -13.990 1.00 1.00 N ATOM 656 CA GLY A 45 20.064 -23.580 -14.396 1.00 1.00 C ATOM 657 C GLY A 45 19.074 -23.353 -13.260 1.00 1.00 C ATOM 658 O GLY A 45 17.865 -23.501 -13.437 1.00 1.00 O ATOM 0 H GLY A 45 21.894 -23.902 -13.421 1.00 1.00 H new ATOM 0 HA2 GLY A 45 19.766 -22.995 -15.266 1.00 1.00 H new ATOM 0 HA3 GLY A 45 20.047 -24.628 -14.695 1.00 1.00 H new ATOM 662 N ASN A 46 19.597 -22.991 -12.092 1.00 1.00 N ATOM 663 CA ASN A 46 18.752 -22.745 -10.930 1.00 1.00 C ATOM 664 C ASN A 46 18.277 -21.295 -10.914 1.00 1.00 C ATOM 665 O ASN A 46 17.088 -21.023 -10.745 1.00 1.00 O ATOM 666 CB ASN A 46 19.529 -23.045 -9.647 1.00 1.00 C ATOM 667 CG ASN A 46 19.778 -21.755 -8.873 1.00 1.00 C ATOM 668 OD1 ASN A 46 20.757 -20.971 -9.229 1.00 1.00 O flip ATOM 669 ND2 ASN A 46 19.061 -21.454 -7.918 1.00 1.00 N flip ATOM 0 H ASN A 46 20.595 -22.862 -11.926 1.00 1.00 H new ATOM 0 HA ASN A 46 17.883 -23.400 -10.988 1.00 1.00 H new ATOM 0 HB2 ASN A 46 18.969 -23.747 -9.029 1.00 1.00 H new ATOM 0 HB3 ASN A 46 20.479 -23.522 -9.890 1.00 1.00 H new ATOM 0 HD21 ASN A 46 18.296 -22.069 -7.641 1.00 1.00 H new ATOM 0 HD22 ASN A 46 19.233 -20.590 -7.404 1.00 1.00 H new ATOM 676 N GLY A 47 19.212 -20.369 -11.092 1.00 1.00 N ATOM 677 CA GLY A 47 18.877 -18.950 -11.095 1.00 1.00 C ATOM 678 C GLY A 47 17.991 -18.604 -12.287 1.00 1.00 C ATOM 679 O GLY A 47 16.933 -17.996 -12.130 1.00 1.00 O ATOM 0 H GLY A 47 20.201 -20.573 -11.235 1.00 1.00 H new ATOM 0 HA2 GLY A 47 18.365 -18.691 -10.168 1.00 1.00 H new ATOM 0 HA3 GLY A 47 19.790 -18.356 -11.131 1.00 1.00 H new ATOM 683 N LEU A 48 18.431 -18.996 -13.478 1.00 1.00 N ATOM 684 CA LEU A 48 17.667 -18.721 -14.690 1.00 1.00 C ATOM 685 C LEU A 48 16.225 -19.190 -14.523 1.00 1.00 C ATOM 686 O LEU A 48 15.284 -18.437 -14.771 1.00 1.00 O ATOM 687 CB LEU A 48 18.317 -19.431 -15.886 1.00 1.00 C ATOM 688 CG LEU A 48 17.430 -19.308 -17.133 1.00 1.00 C ATOM 689 CD1 LEU A 48 17.071 -17.840 -17.376 1.00 1.00 C ATOM 690 CD2 LEU A 48 18.192 -19.846 -18.346 1.00 1.00 C ATOM 0 H LEU A 48 19.304 -19.501 -13.630 1.00 1.00 H new ATOM 0 HA LEU A 48 17.665 -17.646 -14.871 1.00 1.00 H new ATOM 0 HB2 LEU A 48 19.297 -18.997 -16.085 1.00 1.00 H new ATOM 0 HB3 LEU A 48 18.477 -20.483 -15.649 1.00 1.00 H new ATOM 0 HG LEU A 48 16.515 -19.881 -16.982 1.00 1.00 H new ATOM 0 HD11 LEU A 48 16.442 -17.761 -18.262 1.00 1.00 H new ATOM 0 HD12 LEU A 48 16.532 -17.449 -16.513 1.00 1.00 H new ATOM 0 HD13 LEU A 48 17.983 -17.262 -17.526 1.00 1.00 H new ATOM 0 HD21 LEU A 48 17.567 -19.761 -19.235 1.00 1.00 H new ATOM 0 HD22 LEU A 48 19.105 -19.268 -18.488 1.00 1.00 H new ATOM 0 HD23 LEU A 48 18.447 -20.893 -18.180 1.00 1.00 H new ATOM 702 N VAL A 49 16.060 -20.440 -14.103 1.00 1.00 N ATOM 703 CA VAL A 49 14.727 -20.999 -13.907 1.00 1.00 C ATOM 704 C VAL A 49 13.957 -20.189 -12.869 1.00 1.00 C ATOM 705 O VAL A 49 13.032 -19.450 -13.208 1.00 1.00 O ATOM 706 CB VAL A 49 14.834 -22.453 -13.445 1.00 1.00 C ATOM 707 CG1 VAL A 49 13.510 -22.886 -12.811 1.00 1.00 C ATOM 708 CG2 VAL A 49 15.138 -23.348 -14.648 1.00 1.00 C ATOM 0 H VAL A 49 16.825 -21.081 -13.893 1.00 1.00 H new ATOM 0 HA VAL A 49 14.191 -20.958 -14.855 1.00 1.00 H new ATOM 0 HB VAL A 49 15.635 -22.543 -12.711 1.00 1.00 H new ATOM 0 HG11 VAL A 49 13.586 -23.922 -12.482 1.00 1.00 H new ATOM 0 HG12 VAL A 49 13.291 -22.248 -11.955 1.00 1.00 H new ATOM 0 HG13 VAL A 49 12.709 -22.796 -13.545 1.00 1.00 H new ATOM 0 HG21 VAL A 49 15.215 -24.385 -14.320 1.00 1.00 H new ATOM 0 HG22 VAL A 49 14.336 -23.257 -15.381 1.00 1.00 H new ATOM 0 HG23 VAL A 49 16.080 -23.040 -15.101 1.00 1.00 H new ATOM 718 N LEU A 50 14.346 -20.330 -11.607 1.00 1.00 N ATOM 719 CA LEU A 50 13.683 -19.604 -10.530 1.00 1.00 C ATOM 720 C LEU A 50 13.442 -18.154 -10.940 1.00 1.00 C ATOM 721 O LEU A 50 12.480 -17.527 -10.497 1.00 1.00 O ATOM 722 CB LEU A 50 14.546 -19.642 -9.265 1.00 1.00 C ATOM 723 CG LEU A 50 14.720 -21.092 -8.797 1.00 1.00 C ATOM 724 CD1 LEU A 50 15.672 -21.130 -7.602 1.00 1.00 C ATOM 725 CD2 LEU A 50 13.365 -21.678 -8.383 1.00 1.00 C ATOM 0 H LEU A 50 15.110 -20.935 -11.306 1.00 1.00 H new ATOM 0 HA LEU A 50 12.724 -20.081 -10.328 1.00 1.00 H new ATOM 0 HB2 LEU A 50 15.520 -19.196 -9.465 1.00 1.00 H new ATOM 0 HB3 LEU A 50 14.079 -19.050 -8.478 1.00 1.00 H new ATOM 0 HG LEU A 50 15.131 -21.683 -9.616 1.00 1.00 H new ATOM 0 HD11 LEU A 50 15.796 -22.160 -7.269 1.00 1.00 H new ATOM 0 HD12 LEU A 50 16.640 -20.724 -7.895 1.00 1.00 H new ATOM 0 HD13 LEU A 50 15.259 -20.533 -6.789 1.00 1.00 H new ATOM 0 HD21 LEU A 50 13.500 -22.708 -8.052 1.00 1.00 H new ATOM 0 HD22 LEU A 50 12.947 -21.087 -7.568 1.00 1.00 H new ATOM 0 HD23 LEU A 50 12.684 -21.656 -9.234 1.00 1.00 H new ATOM 737 N TRP A 51 14.319 -17.632 -11.789 1.00 1.00 N ATOM 738 CA TRP A 51 14.191 -16.256 -12.255 1.00 1.00 C ATOM 739 C TRP A 51 13.098 -16.153 -13.315 1.00 1.00 C ATOM 740 O TRP A 51 12.244 -15.269 -13.255 1.00 1.00 O ATOM 741 CB TRP A 51 15.519 -15.777 -12.842 1.00 1.00 C ATOM 742 CG TRP A 51 15.326 -14.433 -13.466 1.00 1.00 C ATOM 743 CD1 TRP A 51 15.514 -13.250 -12.836 1.00 1.00 C ATOM 744 CD2 TRP A 51 14.911 -14.111 -14.825 1.00 1.00 C ATOM 745 NE1 TRP A 51 15.240 -12.224 -13.721 1.00 1.00 N ATOM 746 CE2 TRP A 51 14.864 -12.703 -14.960 1.00 1.00 C ATOM 747 CE3 TRP A 51 14.573 -14.896 -15.942 1.00 1.00 C ATOM 748 CZ2 TRP A 51 14.496 -12.096 -16.161 1.00 1.00 C ATOM 749 CZ3 TRP A 51 14.202 -14.288 -17.153 1.00 1.00 C ATOM 750 CH2 TRP A 51 14.164 -12.890 -17.262 1.00 1.00 C ATOM 0 H TRP A 51 15.121 -18.136 -12.167 1.00 1.00 H new ATOM 0 HA TRP A 51 13.923 -15.627 -11.406 1.00 1.00 H new ATOM 0 HB2 TRP A 51 16.277 -15.723 -12.060 1.00 1.00 H new ATOM 0 HB3 TRP A 51 15.879 -16.488 -13.586 1.00 1.00 H new ATOM 0 HD1 TRP A 51 15.827 -13.128 -11.810 1.00 1.00 H new ATOM 0 HE1 TRP A 51 15.307 -11.233 -13.487 1.00 1.00 H new ATOM 0 HE3 TRP A 51 14.599 -15.973 -15.868 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 14.468 -11.019 -16.239 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 13.945 -14.900 -18.005 1.00 1.00 H new ATOM 0 HH2 TRP A 51 13.879 -12.428 -18.196 1.00 1.00 H new ATOM 761 N THR A 52 13.132 -17.063 -14.282 1.00 1.00 N ATOM 762 CA THR A 52 12.140 -17.067 -15.349 1.00 1.00 C ATOM 763 C THR A 52 10.744 -17.289 -14.778 1.00 1.00 C ATOM 764 O THR A 52 9.821 -16.520 -15.051 1.00 1.00 O ATOM 765 CB THR A 52 12.462 -18.172 -16.358 1.00 1.00 C ATOM 766 OG1 THR A 52 13.640 -17.829 -17.074 1.00 1.00 O ATOM 767 CG2 THR A 52 11.295 -18.330 -17.334 1.00 1.00 C ATOM 0 H THR A 52 13.831 -17.803 -14.349 1.00 1.00 H new ATOM 0 HA THR A 52 12.167 -16.099 -15.850 1.00 1.00 H new ATOM 0 HB THR A 52 12.620 -19.112 -15.830 1.00 1.00 H new ATOM 0 HG1 THR A 52 14.421 -17.947 -16.494 1.00 1.00 H new ATOM 0 HG21 THR A 52 11.525 -19.117 -18.052 1.00 1.00 H new ATOM 0 HG22 THR A 52 10.393 -18.595 -16.783 1.00 1.00 H new ATOM 0 HG23 THR A 52 11.134 -17.391 -17.864 1.00 1.00 H new ATOM 775 N VAL A 53 10.598 -18.342 -13.981 1.00 1.00 N ATOM 776 CA VAL A 53 9.309 -18.653 -13.375 1.00 1.00 C ATOM 777 C VAL A 53 8.746 -17.428 -12.665 1.00 1.00 C ATOM 778 O VAL A 53 7.606 -17.032 -12.904 1.00 1.00 O ATOM 779 CB VAL A 53 9.464 -19.799 -12.374 1.00 1.00 C ATOM 780 CG1 VAL A 53 8.289 -19.787 -11.395 1.00 1.00 C ATOM 781 CG2 VAL A 53 9.484 -21.132 -13.127 1.00 1.00 C ATOM 0 H VAL A 53 11.349 -18.989 -13.741 1.00 1.00 H new ATOM 0 HA VAL A 53 8.619 -18.953 -14.164 1.00 1.00 H new ATOM 0 HB VAL A 53 10.396 -19.675 -11.823 1.00 1.00 H new ATOM 0 HG11 VAL A 53 8.401 -20.604 -10.682 1.00 1.00 H new ATOM 0 HG12 VAL A 53 8.272 -18.838 -10.859 1.00 1.00 H new ATOM 0 HG13 VAL A 53 7.356 -19.910 -11.945 1.00 1.00 H new ATOM 0 HG21 VAL A 53 9.594 -21.950 -12.415 1.00 1.00 H new ATOM 0 HG22 VAL A 53 8.551 -21.253 -13.677 1.00 1.00 H new ATOM 0 HG23 VAL A 53 10.321 -21.143 -13.825 1.00 1.00 H new ATOM 791 N PHE A 54 9.552 -16.829 -11.795 1.00 1.00 N ATOM 792 CA PHE A 54 9.119 -15.646 -11.064 1.00 1.00 C ATOM 793 C PHE A 54 8.607 -14.586 -12.032 1.00 1.00 C ATOM 794 O PHE A 54 7.715 -13.804 -11.701 1.00 1.00 O ATOM 795 CB PHE A 54 10.280 -15.082 -10.243 1.00 1.00 C ATOM 796 CG PHE A 54 10.047 -15.368 -8.779 1.00 1.00 C ATOM 797 CD1 PHE A 54 10.257 -16.657 -8.276 1.00 1.00 C ATOM 798 CD2 PHE A 54 9.621 -14.343 -7.925 1.00 1.00 C ATOM 799 CE1 PHE A 54 10.041 -16.923 -6.919 1.00 1.00 C ATOM 800 CE2 PHE A 54 9.404 -14.610 -6.567 1.00 1.00 C ATOM 801 CZ PHE A 54 9.615 -15.899 -6.064 1.00 1.00 C ATOM 0 H PHE A 54 10.499 -17.140 -11.581 1.00 1.00 H new ATOM 0 HA PHE A 54 8.310 -15.929 -10.390 1.00 1.00 H new ATOM 0 HB2 PHE A 54 11.220 -15.530 -10.567 1.00 1.00 H new ATOM 0 HB3 PHE A 54 10.366 -14.008 -10.405 1.00 1.00 H new ATOM 0 HD1 PHE A 54 10.586 -17.447 -8.935 1.00 1.00 H new ATOM 0 HD2 PHE A 54 9.460 -13.348 -8.313 1.00 1.00 H new ATOM 0 HE1 PHE A 54 10.203 -17.918 -6.531 1.00 1.00 H new ATOM 0 HE2 PHE A 54 9.074 -13.821 -5.908 1.00 1.00 H new ATOM 0 HZ PHE A 54 9.449 -16.104 -5.017 1.00 1.00 H new ATOM 811 N ARG A 55 9.173 -14.571 -13.235 1.00 1.00 N ATOM 812 CA ARG A 55 8.762 -13.608 -14.251 1.00 1.00 C ATOM 813 C ARG A 55 7.487 -14.081 -14.942 1.00 1.00 C ATOM 814 O ARG A 55 6.787 -13.294 -15.579 1.00 1.00 O ATOM 815 CB ARG A 55 9.869 -13.439 -15.295 1.00 1.00 C ATOM 816 CG ARG A 55 10.208 -11.951 -15.453 1.00 1.00 C ATOM 817 CD ARG A 55 10.831 -11.397 -14.163 1.00 1.00 C ATOM 818 NE ARG A 55 11.132 -12.475 -13.225 1.00 1.00 N ATOM 819 CZ ARG A 55 12.105 -12.363 -12.326 1.00 1.00 C ATOM 820 NH1 ARG A 55 12.797 -11.259 -12.249 1.00 1.00 N ATOM 821 NH2 ARG A 55 12.368 -13.357 -11.523 1.00 1.00 N ATOM 0 H ARG A 55 9.912 -15.210 -13.529 1.00 1.00 H new ATOM 0 HA ARG A 55 8.574 -12.652 -13.763 1.00 1.00 H new ATOM 0 HB2 ARG A 55 10.757 -13.994 -14.991 1.00 1.00 H new ATOM 0 HB3 ARG A 55 9.547 -13.852 -16.251 1.00 1.00 H new ATOM 0 HG2 ARG A 55 10.900 -11.817 -16.284 1.00 1.00 H new ATOM 0 HG3 ARG A 55 9.305 -11.391 -15.697 1.00 1.00 H new ATOM 0 HD2 ARG A 55 11.744 -10.851 -14.401 1.00 1.00 H new ATOM 0 HD3 ARG A 55 10.146 -10.687 -13.700 1.00 1.00 H new ATOM 0 HE ARG A 55 10.583 -13.334 -13.260 1.00 1.00 H new ATOM 0 HH11 ARG A 55 12.591 -10.483 -12.878 1.00 1.00 H new ATOM 0 HH12 ARG A 55 13.544 -11.172 -11.560 1.00 1.00 H new ATOM 0 HH21 ARG A 55 11.827 -14.220 -11.585 1.00 1.00 H new ATOM 0 HH22 ARG A 55 13.114 -13.272 -10.833 1.00 1.00 H new ATOM 835 N LYS A 56 7.197 -15.372 -14.812 1.00 1.00 N ATOM 836 CA LYS A 56 6.006 -15.947 -15.429 1.00 1.00 C ATOM 837 C LYS A 56 4.917 -16.164 -14.384 1.00 1.00 C ATOM 838 O LYS A 56 3.742 -16.321 -14.719 1.00 1.00 O ATOM 839 CB LYS A 56 6.372 -17.273 -16.125 1.00 1.00 C ATOM 840 CG LYS A 56 5.858 -18.481 -15.327 1.00 1.00 C ATOM 841 CD LYS A 56 6.420 -19.767 -15.940 1.00 1.00 C ATOM 842 CE LYS A 56 6.125 -20.946 -15.011 1.00 1.00 C ATOM 843 NZ LYS A 56 6.825 -22.161 -15.514 1.00 1.00 N ATOM 0 H LYS A 56 7.766 -16.037 -14.288 1.00 1.00 H new ATOM 0 HA LYS A 56 5.620 -15.254 -16.177 1.00 1.00 H new ATOM 0 HB2 LYS A 56 5.947 -17.289 -17.128 1.00 1.00 H new ATOM 0 HB3 LYS A 56 7.454 -17.341 -16.236 1.00 1.00 H new ATOM 0 HG2 LYS A 56 6.162 -18.398 -14.284 1.00 1.00 H new ATOM 0 HG3 LYS A 56 4.768 -18.504 -15.341 1.00 1.00 H new ATOM 0 HD2 LYS A 56 5.974 -19.941 -16.919 1.00 1.00 H new ATOM 0 HD3 LYS A 56 7.495 -19.670 -16.092 1.00 1.00 H new ATOM 0 HE2 LYS A 56 6.455 -20.716 -13.998 1.00 1.00 H new ATOM 0 HE3 LYS A 56 5.051 -21.125 -14.963 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 6.681 -22.946 -14.847 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 6.441 -22.422 -16.445 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 7.842 -21.964 -15.602 1.00 1.00 H new ATOM 857 N LYS A 57 5.319 -16.170 -13.117 1.00 1.00 N ATOM 858 CA LYS A 57 4.378 -16.368 -12.020 1.00 1.00 C ATOM 859 C LYS A 57 4.183 -15.064 -11.253 1.00 1.00 C ATOM 860 O LYS A 57 3.262 -14.938 -10.445 1.00 1.00 O ATOM 861 CB LYS A 57 4.907 -17.450 -11.075 1.00 1.00 C ATOM 862 CG LYS A 57 3.898 -17.698 -9.950 1.00 1.00 C ATOM 863 CD LYS A 57 4.410 -17.062 -8.656 1.00 1.00 C ATOM 864 CE LYS A 57 3.359 -17.227 -7.556 1.00 1.00 C ATOM 865 NZ LYS A 57 2.261 -18.106 -8.046 1.00 1.00 N ATOM 0 H LYS A 57 6.288 -16.040 -12.825 1.00 1.00 H new ATOM 0 HA LYS A 57 3.418 -16.684 -12.429 1.00 1.00 H new ATOM 0 HB2 LYS A 57 5.083 -18.373 -11.627 1.00 1.00 H new ATOM 0 HB3 LYS A 57 5.865 -17.142 -10.655 1.00 1.00 H new ATOM 0 HG2 LYS A 57 2.929 -17.276 -10.217 1.00 1.00 H new ATOM 0 HG3 LYS A 57 3.751 -18.769 -9.808 1.00 1.00 H new ATOM 0 HD2 LYS A 57 5.346 -17.531 -8.353 1.00 1.00 H new ATOM 0 HD3 LYS A 57 4.621 -16.005 -8.817 1.00 1.00 H new ATOM 0 HE2 LYS A 57 3.815 -17.659 -6.665 1.00 1.00 H new ATOM 0 HE3 LYS A 57 2.960 -16.254 -7.270 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 1.572 -18.260 -7.282 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 1.787 -17.653 -8.853 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 2.656 -19.020 -8.345 1.00 1.00 H new ATOM 879 N GLY A 58 5.058 -14.098 -11.513 1.00 1.00 N ATOM 880 CA GLY A 58 4.978 -12.807 -10.845 1.00 1.00 C ATOM 881 C GLY A 58 3.989 -11.887 -11.553 1.00 1.00 C ATOM 882 O GLY A 58 3.344 -11.049 -10.923 1.00 1.00 O ATOM 0 H GLY A 58 5.826 -14.185 -12.178 1.00 1.00 H new ATOM 0 HA2 GLY A 58 4.671 -12.948 -9.809 1.00 1.00 H new ATOM 0 HA3 GLY A 58 5.963 -12.342 -10.825 1.00 1.00 H new ATOM 886 N HIS A 59 3.876 -12.047 -12.868 1.00 1.00 N ATOM 887 CA HIS A 59 2.962 -11.224 -13.652 1.00 1.00 C ATOM 888 C HIS A 59 1.533 -11.376 -13.142 1.00 1.00 C ATOM 889 O HIS A 59 0.647 -10.604 -13.510 1.00 1.00 O ATOM 890 CB HIS A 59 3.026 -11.630 -15.126 1.00 1.00 C ATOM 891 CG HIS A 59 3.969 -10.716 -15.858 1.00 1.00 C ATOM 892 ND1 HIS A 59 4.982 -11.197 -16.672 1.00 1.00 N ATOM 893 CD2 HIS A 59 4.066 -9.347 -15.907 1.00 1.00 C ATOM 894 CE1 HIS A 59 5.639 -10.135 -17.173 1.00 1.00 C ATOM 895 NE2 HIS A 59 5.121 -8.983 -16.738 1.00 1.00 N ATOM 0 H HIS A 59 4.401 -12.733 -13.409 1.00 1.00 H new ATOM 0 HA HIS A 59 3.263 -10.182 -13.550 1.00 1.00 H new ATOM 0 HB2 HIS A 59 3.362 -12.663 -15.215 1.00 1.00 H new ATOM 0 HB3 HIS A 59 2.033 -11.578 -15.572 1.00 1.00 H new ATOM 0 HD1 HIS A 59 5.192 -12.178 -16.858 1.00 1.00 H new ATOM 0 HD2 HIS A 59 3.422 -8.658 -15.381 1.00 1.00 H new ATOM 0 HE1 HIS A 59 6.482 -10.205 -17.845 1.00 1.00 H new