USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 688 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 Set 1.1: A 76 THR OG1 : rot 180:sc= -1.62 USER MOD Set 1.2: A 79 GLN : amide:sc= -1.1 K(o=-2.7,f=-7.7!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 56:sc= 0.218 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.181 USER MOD Single : A 31 ASN : amide:sc= -0.115 K(o=-0.11,f=-1.6) USER MOD Single : A 44 SER OG : rot 180:sc= -1.07 USER MOD Single : A 55 SER OG : rot 74:sc= 0.866 USER MOD Single : A 66 SER OG : rot 180:sc= -0.317 USER MOD Single : A 68 ASN : amide:sc= -0.464 X(o=-0.46,f=-0.44) USER MOD Single : A 71 ASN : amide:sc= -0.215 K(o=-0.22,f=-1.4!) USER MOD Single : A 74 ASN : amide:sc= -0.245 K(o=-0.24,f=-3.9!) USER MOD Single : A 77 HIS : no HE2:sc= -0.109 X(o=-0.11,f=-0.064) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= -0.361 K(o=-0.36,f=-3.1!) USER MOD Single : A 90 SER OG : rot 180:sc= 0.0387 USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.789 USER MOD Single : A 96 GLN : amide:sc= -1.78 X(o=-1.8,f=-1.8!) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 TYR OH : rot 72:sc= 0.401 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 164 N GLU A 15 -6.680 10.463 -8.552 1.00 0.00 N ATOM 165 CA GLU A 15 -6.951 9.104 -8.988 1.00 0.00 C ATOM 166 C GLU A 15 -5.834 8.166 -8.526 1.00 0.00 C ATOM 167 O GLU A 15 -4.822 8.616 -7.991 1.00 0.00 O ATOM 168 CB GLU A 15 -7.128 9.040 -10.506 1.00 0.00 C ATOM 169 CG GLU A 15 -8.587 8.771 -10.877 1.00 0.00 C ATOM 170 CD GLU A 15 -8.731 8.498 -12.376 1.00 0.00 C ATOM 171 OE1 GLU A 15 -8.145 9.282 -13.154 1.00 0.00 O ATOM 172 OE2 GLU A 15 -9.422 7.511 -12.709 1.00 0.00 O ATOM 0 HA GLU A 15 -7.886 8.777 -8.533 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -6.802 9.979 -10.954 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -6.494 8.254 -10.917 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.958 7.917 -10.311 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.200 9.628 -10.599 1.00 0.00 H new ATOM 179 N PRO A 16 -6.061 6.845 -8.756 1.00 0.00 N ATOM 180 CA PRO A 16 -5.086 5.840 -8.370 1.00 0.00 C ATOM 181 C PRO A 16 -3.892 5.837 -9.327 1.00 0.00 C ATOM 182 O PRO A 16 -4.053 6.061 -10.526 1.00 0.00 O ATOM 183 CB PRO A 16 -5.852 4.527 -8.372 1.00 0.00 C ATOM 184 CG PRO A 16 -7.100 4.774 -9.204 1.00 0.00 C ATOM 185 CD PRO A 16 -7.248 6.276 -9.388 1.00 0.00 C ATOM 0 HA PRO A 16 -4.652 6.031 -7.389 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -5.250 3.725 -8.799 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.112 4.225 -7.358 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -7.019 4.277 -10.171 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -7.978 4.362 -8.707 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -7.301 6.542 -10.444 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.161 6.644 -8.920 1.00 0.00 H new ATOM 193 N ARG A 17 -2.722 5.580 -8.762 1.00 0.00 N ATOM 194 CA ARG A 17 -1.502 5.545 -9.551 1.00 0.00 C ATOM 195 C ARG A 17 -0.755 4.231 -9.315 1.00 0.00 C ATOM 196 O ARG A 17 -0.655 3.764 -8.181 1.00 0.00 O ATOM 197 CB ARG A 17 -0.584 6.717 -9.197 1.00 0.00 C ATOM 198 CG ARG A 17 -0.127 6.634 -7.739 1.00 0.00 C ATOM 199 CD ARG A 17 -0.388 7.953 -7.008 1.00 0.00 C ATOM 200 NE ARG A 17 0.121 9.087 -7.811 1.00 0.00 N ATOM 201 CZ ARG A 17 -0.649 9.865 -8.584 1.00 0.00 C ATOM 202 NH1 ARG A 17 -1.966 9.635 -8.665 1.00 0.00 N ATOM 203 NH2 ARG A 17 -0.100 10.871 -9.278 1.00 0.00 N ATOM 0 H ARG A 17 -2.593 5.394 -7.767 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.783 5.623 -10.601 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.285 6.715 -9.855 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -1.108 7.658 -9.365 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.653 5.824 -7.234 1.00 0.00 H new ATOM 0 HG3 ARG A 17 0.936 6.396 -7.700 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -1.456 8.074 -6.830 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.099 7.940 -6.033 1.00 0.00 H new ATOM 0 HE ARG A 17 1.120 9.289 -7.774 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -2.383 8.868 -8.138 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -2.552 10.227 -9.253 1.00 0.00 H new ATOM 0 HH21 ARG A 17 0.903 11.044 -9.218 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.685 11.464 -9.867 1.00 0.00 H new ATOM 217 N LYS A 18 -0.248 3.671 -10.403 1.00 0.00 N ATOM 218 CA LYS A 18 0.487 2.420 -10.329 1.00 0.00 C ATOM 219 C LYS A 18 1.884 2.687 -9.765 1.00 0.00 C ATOM 220 O LYS A 18 2.717 3.305 -10.426 1.00 0.00 O ATOM 221 CB LYS A 18 0.497 1.723 -11.691 1.00 0.00 C ATOM 222 CG LYS A 18 1.526 0.591 -11.719 1.00 0.00 C ATOM 223 CD LYS A 18 1.282 -0.342 -12.907 1.00 0.00 C ATOM 224 CE LYS A 18 0.087 -1.262 -12.645 1.00 0.00 C ATOM 225 NZ LYS A 18 -0.841 -1.247 -13.798 1.00 0.00 N ATOM 0 H LYS A 18 -0.332 4.061 -11.342 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.006 1.728 -9.646 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.494 1.324 -11.907 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.726 2.447 -12.473 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.531 1.009 -11.781 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.473 0.024 -10.790 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.102 0.247 -13.806 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.173 -0.941 -13.092 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.436 -2.279 -12.465 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.437 -0.940 -11.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.646 -1.876 -13.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.188 -0.279 -13.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.342 -1.576 -14.649 1.00 0.00 H new ATOM 239 N ILE A 19 2.097 2.208 -8.548 1.00 0.00 N ATOM 240 CA ILE A 19 3.378 2.388 -7.887 1.00 0.00 C ATOM 241 C ILE A 19 4.059 1.027 -7.726 1.00 0.00 C ATOM 242 O ILE A 19 3.515 0.128 -7.088 1.00 0.00 O ATOM 243 CB ILE A 19 3.201 3.145 -6.570 1.00 0.00 C ATOM 244 CG1 ILE A 19 2.502 4.487 -6.799 1.00 0.00 C ATOM 245 CG2 ILE A 19 4.539 3.312 -5.848 1.00 0.00 C ATOM 246 CD1 ILE A 19 1.537 4.806 -5.655 1.00 0.00 C ATOM 0 H ILE A 19 1.404 1.696 -8.003 1.00 0.00 H new ATOM 0 HA ILE A 19 4.037 3.006 -8.497 1.00 0.00 H new ATOM 0 HB ILE A 19 2.557 2.553 -5.920 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.246 5.279 -6.883 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.957 4.461 -7.743 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.384 3.854 -4.915 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.961 2.330 -5.632 1.00 0.00 H new ATOM 0 HG23 ILE A 19 5.227 3.871 -6.482 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.054 5.765 -5.843 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.780 4.025 -5.589 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.089 4.856 -4.716 1.00 0.00 H new ATOM 258 N ILE A 20 5.240 0.919 -8.317 1.00 0.00 N ATOM 259 CA ILE A 20 6.001 -0.317 -8.247 1.00 0.00 C ATOM 260 C ILE A 20 7.261 -0.089 -7.408 1.00 0.00 C ATOM 261 O ILE A 20 8.221 0.519 -7.877 1.00 0.00 O ATOM 262 CB ILE A 20 6.287 -0.850 -9.652 1.00 0.00 C ATOM 263 CG1 ILE A 20 5.064 -1.570 -10.225 1.00 0.00 C ATOM 264 CG2 ILE A 20 7.531 -1.741 -9.659 1.00 0.00 C ATOM 265 CD1 ILE A 20 4.877 -1.239 -11.707 1.00 0.00 C ATOM 0 H ILE A 20 5.688 1.667 -8.846 1.00 0.00 H new ATOM 0 HA ILE A 20 5.421 -1.093 -7.748 1.00 0.00 H new ATOM 0 HB ILE A 20 6.496 -0.001 -10.303 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.180 -2.647 -10.101 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.173 -1.280 -9.669 1.00 0.00 H new ATOM 0 HG21 ILE A 20 7.711 -2.106 -10.670 1.00 0.00 H new ATOM 0 HG22 ILE A 20 8.393 -1.165 -9.322 1.00 0.00 H new ATOM 0 HG23 ILE A 20 7.376 -2.587 -8.990 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.001 -1.763 -12.089 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.737 -0.165 -11.825 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.760 -1.553 -12.264 1.00 0.00 H new ATOM 277 N LEU A 21 7.215 -0.590 -6.182 1.00 0.00 N ATOM 278 CA LEU A 21 8.340 -0.449 -5.274 1.00 0.00 C ATOM 279 C LEU A 21 9.213 -1.703 -5.351 1.00 0.00 C ATOM 280 O LEU A 21 8.700 -2.814 -5.480 1.00 0.00 O ATOM 281 CB LEU A 21 7.850 -0.126 -3.861 1.00 0.00 C ATOM 282 CG LEU A 21 7.203 1.248 -3.673 1.00 0.00 C ATOM 283 CD1 LEU A 21 7.819 2.279 -4.621 1.00 0.00 C ATOM 284 CD2 LEU A 21 5.683 1.163 -3.827 1.00 0.00 C ATOM 0 H LEU A 21 6.416 -1.094 -5.797 1.00 0.00 H new ATOM 0 HA LEU A 21 8.966 0.393 -5.570 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.130 -0.888 -3.565 1.00 0.00 H new ATOM 0 HB3 LEU A 21 8.696 -0.204 -3.178 1.00 0.00 H new ATOM 0 HG LEU A 21 7.406 1.585 -2.656 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.341 3.246 -4.467 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.887 2.366 -4.420 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.668 1.960 -5.652 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.247 2.153 -3.689 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.438 0.795 -4.823 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.279 0.481 -3.079 1.00 0.00 H new ATOM 296 N HIS A 22 10.517 -1.484 -5.268 1.00 0.00 N ATOM 297 CA HIS A 22 11.465 -2.583 -5.326 1.00 0.00 C ATOM 298 C HIS A 22 11.976 -2.895 -3.918 1.00 0.00 C ATOM 299 O HIS A 22 12.864 -2.212 -3.410 1.00 0.00 O ATOM 300 CB HIS A 22 12.594 -2.274 -6.312 1.00 0.00 C ATOM 301 CG HIS A 22 12.172 -2.313 -7.761 1.00 0.00 C ATOM 302 ND1 HIS A 22 12.207 -1.199 -8.582 1.00 0.00 N ATOM 303 CD2 HIS A 22 11.706 -3.341 -8.527 1.00 0.00 C ATOM 304 CE1 HIS A 22 11.779 -1.552 -9.785 1.00 0.00 C ATOM 305 NE2 HIS A 22 11.469 -2.880 -9.748 1.00 0.00 N ATOM 0 H HIS A 22 10.939 -0.562 -5.161 1.00 0.00 H new ATOM 0 HA HIS A 22 10.968 -3.478 -5.701 1.00 0.00 H new ATOM 0 HB2 HIS A 22 12.998 -1.287 -6.088 1.00 0.00 H new ATOM 0 HB3 HIS A 22 13.401 -2.990 -6.160 1.00 0.00 H new ATOM 0 HD2 HIS A 22 11.556 -4.358 -8.196 1.00 0.00 H new ATOM 0 HE1 HIS A 22 11.691 -0.903 -10.644 1.00 0.00 H new ATOM 0 HE2 HIS A 22 11.113 -3.429 -10.531 1.00 0.00 H new ATOM 313 N LYS A 23 11.394 -3.928 -3.328 1.00 0.00 N ATOM 314 CA LYS A 23 11.779 -4.340 -1.988 1.00 0.00 C ATOM 315 C LYS A 23 13.299 -4.233 -1.844 1.00 0.00 C ATOM 316 O LYS A 23 14.040 -4.988 -2.472 1.00 0.00 O ATOM 317 CB LYS A 23 11.228 -5.732 -1.676 1.00 0.00 C ATOM 318 CG LYS A 23 9.903 -5.640 -0.916 1.00 0.00 C ATOM 319 CD LYS A 23 9.741 -6.816 0.049 1.00 0.00 C ATOM 320 CE LYS A 23 9.048 -7.996 -0.636 1.00 0.00 C ATOM 321 NZ LYS A 23 9.304 -9.250 0.107 1.00 0.00 N ATOM 0 H LYS A 23 10.658 -4.493 -3.753 1.00 0.00 H new ATOM 0 HA LYS A 23 11.340 -3.675 -1.244 1.00 0.00 H new ATOM 0 HB2 LYS A 23 11.082 -6.285 -2.604 1.00 0.00 H new ATOM 0 HB3 LYS A 23 11.953 -6.290 -1.083 1.00 0.00 H new ATOM 0 HG2 LYS A 23 9.862 -4.702 -0.362 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.074 -5.629 -1.624 1.00 0.00 H new ATOM 0 HD2 LYS A 23 10.719 -7.127 0.416 1.00 0.00 H new ATOM 0 HD3 LYS A 23 9.160 -6.502 0.916 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.975 -7.812 -0.692 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.409 -8.093 -1.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.827 -10.041 -0.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 10.327 -9.432 0.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.938 -9.160 1.076 1.00 0.00 H new ATOM 335 N GLY A 24 13.718 -3.291 -1.013 1.00 0.00 N ATOM 336 CA GLY A 24 15.135 -3.076 -0.778 1.00 0.00 C ATOM 337 C GLY A 24 15.714 -4.170 0.122 1.00 0.00 C ATOM 338 O GLY A 24 16.681 -4.834 -0.246 1.00 0.00 O ATOM 0 H GLY A 24 13.100 -2.667 -0.493 1.00 0.00 H new ATOM 0 HA2 GLY A 24 15.667 -3.063 -1.729 1.00 0.00 H new ATOM 0 HA3 GLY A 24 15.287 -2.101 -0.315 1.00 0.00 H new ATOM 342 N SER A 25 15.097 -4.323 1.284 1.00 0.00 N ATOM 343 CA SER A 25 15.538 -5.325 2.240 1.00 0.00 C ATOM 344 C SER A 25 14.556 -5.401 3.410 1.00 0.00 C ATOM 345 O SER A 25 13.961 -6.448 3.659 1.00 0.00 O ATOM 346 CB SER A 25 16.948 -5.017 2.748 1.00 0.00 C ATOM 347 OG SER A 25 17.921 -5.894 2.188 1.00 0.00 O ATOM 0 H SER A 25 14.295 -3.770 1.586 1.00 0.00 H new ATOM 0 HA SER A 25 15.566 -6.291 1.736 1.00 0.00 H new ATOM 0 HB2 SER A 25 17.205 -3.987 2.502 1.00 0.00 H new ATOM 0 HB3 SER A 25 16.968 -5.100 3.835 1.00 0.00 H new ATOM 0 HG SER A 25 17.875 -5.852 1.210 1.00 0.00 H new ATOM 353 N THR A 26 14.417 -4.277 4.098 1.00 0.00 N ATOM 354 CA THR A 26 13.517 -4.202 5.236 1.00 0.00 C ATOM 355 C THR A 26 12.077 -4.474 4.796 1.00 0.00 C ATOM 356 O THR A 26 11.347 -5.204 5.465 1.00 0.00 O ATOM 357 CB THR A 26 13.703 -2.835 5.897 1.00 0.00 C ATOM 358 OG1 THR A 26 13.147 -1.917 4.959 1.00 0.00 O ATOM 359 CG2 THR A 26 15.174 -2.426 5.992 1.00 0.00 C ATOM 0 H THR A 26 14.913 -3.411 3.889 1.00 0.00 H new ATOM 0 HA THR A 26 13.748 -4.970 5.974 1.00 0.00 H new ATOM 0 HB THR A 26 13.266 -2.852 6.895 1.00 0.00 H new ATOM 0 HG1 THR A 26 13.224 -1.005 5.309 1.00 0.00 H new ATOM 0 HG21 THR A 26 15.250 -1.449 6.469 1.00 0.00 H new ATOM 0 HG22 THR A 26 15.719 -3.162 6.584 1.00 0.00 H new ATOM 0 HG23 THR A 26 15.603 -2.376 4.991 1.00 0.00 H new ATOM 367 N GLY A 27 11.711 -3.872 3.674 1.00 0.00 N ATOM 368 CA GLY A 27 10.372 -4.039 3.137 1.00 0.00 C ATOM 369 C GLY A 27 10.194 -3.238 1.846 1.00 0.00 C ATOM 370 O GLY A 27 11.102 -3.179 1.018 1.00 0.00 O ATOM 0 H GLY A 27 12.319 -3.267 3.122 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.184 -5.095 2.943 1.00 0.00 H new ATOM 0 HA3 GLY A 27 9.638 -3.715 3.874 1.00 0.00 H new ATOM 374 N LEU A 28 9.019 -2.641 1.714 1.00 0.00 N ATOM 375 CA LEU A 28 8.711 -1.845 0.538 1.00 0.00 C ATOM 376 C LEU A 28 9.036 -0.377 0.821 1.00 0.00 C ATOM 377 O LEU A 28 9.008 0.454 -0.085 1.00 0.00 O ATOM 378 CB LEU A 28 7.265 -2.081 0.095 1.00 0.00 C ATOM 379 CG LEU A 28 7.044 -3.233 -0.887 1.00 0.00 C ATOM 380 CD1 LEU A 28 5.561 -3.381 -1.233 1.00 0.00 C ATOM 381 CD2 LEU A 28 7.909 -3.062 -2.137 1.00 0.00 C ATOM 0 H LEU A 28 8.268 -2.692 2.402 1.00 0.00 H new ATOM 0 HA LEU A 28 9.332 -2.152 -0.303 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.660 -2.265 0.982 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.891 -1.164 -0.361 1.00 0.00 H new ATOM 0 HG LEU A 28 7.356 -4.158 -0.403 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.431 -4.207 -1.933 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.994 -3.583 -0.324 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.200 -2.459 -1.689 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.732 -3.894 -2.818 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.651 -2.126 -2.633 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.961 -3.043 -1.852 1.00 0.00 H new ATOM 393 N GLY A 29 9.336 -0.103 2.082 1.00 0.00 N ATOM 394 CA GLY A 29 9.666 1.250 2.496 1.00 0.00 C ATOM 395 C GLY A 29 8.402 2.045 2.830 1.00 0.00 C ATOM 396 O GLY A 29 8.392 3.271 2.735 1.00 0.00 O ATOM 0 H GLY A 29 9.357 -0.795 2.831 1.00 0.00 H new ATOM 0 HA2 GLY A 29 10.321 1.218 3.367 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.217 1.753 1.701 1.00 0.00 H new ATOM 400 N PHE A 30 7.366 1.313 3.215 1.00 0.00 N ATOM 401 CA PHE A 30 6.100 1.935 3.564 1.00 0.00 C ATOM 402 C PHE A 30 5.187 0.946 4.292 1.00 0.00 C ATOM 403 O PHE A 30 5.204 -0.249 4.003 1.00 0.00 O ATOM 404 CB PHE A 30 5.433 2.357 2.253 1.00 0.00 C ATOM 405 CG PHE A 30 4.806 1.199 1.473 1.00 0.00 C ATOM 406 CD1 PHE A 30 3.728 0.543 1.980 1.00 0.00 C ATOM 407 CD2 PHE A 30 5.326 0.827 0.273 1.00 0.00 C ATOM 408 CE1 PHE A 30 3.146 -0.531 1.256 1.00 0.00 C ATOM 409 CE2 PHE A 30 4.745 -0.247 -0.451 1.00 0.00 C ATOM 410 CZ PHE A 30 3.667 -0.903 0.056 1.00 0.00 C ATOM 0 H PHE A 30 7.378 0.296 3.293 1.00 0.00 H new ATOM 0 HA PHE A 30 6.272 2.785 4.225 1.00 0.00 H new ATOM 0 HB2 PHE A 30 4.661 3.095 2.471 1.00 0.00 H new ATOM 0 HB3 PHE A 30 6.174 2.848 1.622 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.315 0.839 2.933 1.00 0.00 H new ATOM 0 HD2 PHE A 30 6.182 1.349 -0.130 1.00 0.00 H new ATOM 0 HE1 PHE A 30 2.290 -1.052 1.658 1.00 0.00 H new ATOM 0 HE2 PHE A 30 5.159 -0.543 -1.404 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.224 -1.720 -0.495 1.00 0.00 H new ATOM 420 N ASN A 31 4.411 1.483 5.222 1.00 0.00 N ATOM 421 CA ASN A 31 3.492 0.663 5.994 1.00 0.00 C ATOM 422 C ASN A 31 2.095 0.751 5.377 1.00 0.00 C ATOM 423 O ASN A 31 1.875 1.513 4.437 1.00 0.00 O ATOM 424 CB ASN A 31 3.402 1.151 7.442 1.00 0.00 C ATOM 425 CG ASN A 31 3.549 -0.013 8.423 1.00 0.00 C ATOM 426 OD1 ASN A 31 3.193 -1.146 8.141 1.00 0.00 O ATOM 427 ND2 ASN A 31 4.091 0.327 9.589 1.00 0.00 N ATOM 0 H ASN A 31 4.399 2.475 5.458 1.00 0.00 H new ATOM 0 HA ASN A 31 3.862 -0.362 5.981 1.00 0.00 H new ATOM 0 HB2 ASN A 31 4.181 1.890 7.630 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.446 1.648 7.603 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.231 -0.379 10.312 1.00 0.00 H new ATOM 0 HD22 ASN A 31 4.367 1.294 9.761 1.00 0.00 H new ATOM 434 N ILE A 32 1.187 -0.039 5.932 1.00 0.00 N ATOM 435 CA ILE A 32 -0.183 -0.060 5.448 1.00 0.00 C ATOM 436 C ILE A 32 -1.140 -0.110 6.640 1.00 0.00 C ATOM 437 O ILE A 32 -0.749 -0.503 7.738 1.00 0.00 O ATOM 438 CB ILE A 32 -0.382 -1.204 4.451 1.00 0.00 C ATOM 439 CG1 ILE A 32 0.090 -2.534 5.042 1.00 0.00 C ATOM 440 CG2 ILE A 32 0.302 -0.894 3.118 1.00 0.00 C ATOM 441 CD1 ILE A 32 -0.814 -3.684 4.593 1.00 0.00 C ATOM 0 H ILE A 32 1.373 -0.669 6.712 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.406 0.854 4.898 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.449 -1.301 4.250 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.116 -2.731 4.731 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.093 -2.472 6.130 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.145 -1.723 2.427 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.122 0.016 2.694 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.371 -0.755 3.281 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.457 -4.618 5.027 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.835 -3.496 4.926 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.795 -3.758 3.506 1.00 0.00 H new ATOM 453 N VAL A 33 -2.375 0.295 6.384 1.00 0.00 N ATOM 454 CA VAL A 33 -3.391 0.301 7.423 1.00 0.00 C ATOM 455 C VAL A 33 -4.754 -0.006 6.799 1.00 0.00 C ATOM 456 O VAL A 33 -4.882 -0.068 5.577 1.00 0.00 O ATOM 457 CB VAL A 33 -3.364 1.634 8.174 1.00 0.00 C ATOM 458 CG1 VAL A 33 -1.927 2.114 8.385 1.00 0.00 C ATOM 459 CG2 VAL A 33 -4.194 2.691 7.444 1.00 0.00 C ATOM 0 H VAL A 33 -2.695 0.621 5.472 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.188 -0.476 8.160 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.812 1.476 9.155 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.935 3.063 8.921 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.378 1.374 8.967 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.442 2.248 7.418 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.158 3.629 7.999 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.789 2.845 6.444 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.228 2.354 7.368 1.00 0.00 H new ATOM 469 N GLY A 34 -5.738 -0.190 7.667 1.00 0.00 N ATOM 470 CA GLY A 34 -7.087 -0.489 7.217 1.00 0.00 C ATOM 471 C GLY A 34 -7.433 -1.959 7.460 1.00 0.00 C ATOM 472 O GLY A 34 -6.652 -2.693 8.065 1.00 0.00 O ATOM 0 H GLY A 34 -5.628 -0.138 8.680 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.799 0.147 7.743 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.179 -0.261 6.155 1.00 0.00 H new ATOM 476 N GLY A 35 -8.605 -2.346 6.977 1.00 0.00 N ATOM 477 CA GLY A 35 -9.064 -3.716 7.135 1.00 0.00 C ATOM 478 C GLY A 35 -10.238 -3.791 8.114 1.00 0.00 C ATOM 479 O GLY A 35 -10.325 -4.720 8.915 1.00 0.00 O ATOM 0 H GLY A 35 -9.250 -1.735 6.476 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.367 -4.116 6.167 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.245 -4.339 7.495 1.00 0.00 H new ATOM 483 N GLU A 36 -11.113 -2.800 8.016 1.00 0.00 N ATOM 484 CA GLU A 36 -12.278 -2.743 8.882 1.00 0.00 C ATOM 485 C GLU A 36 -13.541 -2.489 8.057 1.00 0.00 C ATOM 486 O GLU A 36 -13.620 -1.506 7.323 1.00 0.00 O ATOM 487 CB GLU A 36 -12.105 -1.673 9.963 1.00 0.00 C ATOM 488 CG GLU A 36 -11.007 -2.066 10.953 1.00 0.00 C ATOM 489 CD GLU A 36 -11.587 -2.307 12.348 1.00 0.00 C ATOM 490 OE1 GLU A 36 -12.068 -1.318 12.941 1.00 0.00 O ATOM 491 OE2 GLU A 36 -11.536 -3.476 12.790 1.00 0.00 O ATOM 0 H GLU A 36 -11.038 -2.031 7.350 1.00 0.00 H new ATOM 0 HA GLU A 36 -12.382 -3.706 9.382 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -11.856 -0.719 9.499 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -13.046 -1.533 10.495 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -10.503 -2.967 10.604 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -10.255 -1.278 10.999 1.00 0.00 H new ATOM 498 N ASP A 37 -14.497 -3.394 8.205 1.00 0.00 N ATOM 499 CA ASP A 37 -15.753 -3.281 7.482 1.00 0.00 C ATOM 500 C ASP A 37 -15.465 -2.946 6.018 1.00 0.00 C ATOM 501 O ASP A 37 -16.291 -2.332 5.344 1.00 0.00 O ATOM 502 CB ASP A 37 -16.623 -2.164 8.061 1.00 0.00 C ATOM 503 CG ASP A 37 -17.490 -2.571 9.254 1.00 0.00 C ATOM 504 OD1 ASP A 37 -18.226 -3.570 9.106 1.00 0.00 O ATOM 505 OD2 ASP A 37 -17.396 -1.874 10.288 1.00 0.00 O ATOM 0 H ASP A 37 -14.428 -4.209 8.815 1.00 0.00 H new ATOM 0 HA ASP A 37 -16.280 -4.231 7.571 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -15.976 -1.341 8.365 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -17.272 -1.784 7.272 1.00 0.00 H new ATOM 510 N GLY A 38 -14.290 -3.363 5.568 1.00 0.00 N ATOM 511 CA GLY A 38 -13.883 -3.114 4.196 1.00 0.00 C ATOM 512 C GLY A 38 -13.972 -1.625 3.858 1.00 0.00 C ATOM 513 O GLY A 38 -14.676 -1.236 2.927 1.00 0.00 O ATOM 0 H GLY A 38 -13.607 -3.872 6.130 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -12.861 -3.464 4.047 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.517 -3.683 3.516 1.00 0.00 H new ATOM 517 N GLU A 39 -13.249 -0.831 4.634 1.00 0.00 N ATOM 518 CA GLU A 39 -13.237 0.608 4.430 1.00 0.00 C ATOM 519 C GLU A 39 -12.189 0.986 3.381 1.00 0.00 C ATOM 520 O GLU A 39 -12.363 1.958 2.647 1.00 0.00 O ATOM 521 CB GLU A 39 -12.989 1.347 5.746 1.00 0.00 C ATOM 522 CG GLU A 39 -11.562 1.112 6.245 1.00 0.00 C ATOM 523 CD GLU A 39 -11.538 0.912 7.762 1.00 0.00 C ATOM 524 OE1 GLU A 39 -12.595 1.155 8.383 1.00 0.00 O ATOM 525 OE2 GLU A 39 -10.463 0.521 8.266 1.00 0.00 O ATOM 0 H GLU A 39 -12.667 -1.157 5.406 1.00 0.00 H new ATOM 0 HA GLU A 39 -14.217 0.912 4.062 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -13.158 2.415 5.605 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.702 1.008 6.498 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.140 0.236 5.752 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -10.934 1.962 5.977 1.00 0.00 H new ATOM 532 N GLY A 40 -11.124 0.199 3.345 1.00 0.00 N ATOM 533 CA GLY A 40 -10.048 0.440 2.399 1.00 0.00 C ATOM 534 C GLY A 40 -8.684 0.365 3.089 1.00 0.00 C ATOM 535 O GLY A 40 -8.602 0.402 4.316 1.00 0.00 O ATOM 0 H GLY A 40 -10.983 -0.606 3.956 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.094 -0.295 1.596 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -10.174 1.421 1.941 1.00 0.00 H new ATOM 539 N ILE A 41 -7.647 0.260 2.271 1.00 0.00 N ATOM 540 CA ILE A 41 -6.292 0.179 2.787 1.00 0.00 C ATOM 541 C ILE A 41 -5.559 1.489 2.492 1.00 0.00 C ATOM 542 O ILE A 41 -5.746 2.084 1.432 1.00 0.00 O ATOM 543 CB ILE A 41 -5.582 -1.060 2.236 1.00 0.00 C ATOM 544 CG1 ILE A 41 -6.406 -2.323 2.492 1.00 0.00 C ATOM 545 CG2 ILE A 41 -4.165 -1.176 2.801 1.00 0.00 C ATOM 546 CD1 ILE A 41 -6.173 -2.852 3.908 1.00 0.00 C ATOM 0 H ILE A 41 -7.718 0.229 1.254 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.304 0.057 3.870 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.490 -0.949 1.156 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.465 -2.106 2.351 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.138 -3.090 1.765 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.683 -2.065 2.394 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.590 -0.292 2.525 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.212 -1.254 3.887 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -6.771 -3.750 4.064 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -5.118 -3.091 4.038 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -6.465 -2.092 4.633 1.00 0.00 H new ATOM 558 N PHE A 42 -4.741 1.901 3.449 1.00 0.00 N ATOM 559 CA PHE A 42 -3.979 3.130 3.305 1.00 0.00 C ATOM 560 C PHE A 42 -2.567 2.969 3.871 1.00 0.00 C ATOM 561 O PHE A 42 -2.278 1.993 4.561 1.00 0.00 O ATOM 562 CB PHE A 42 -4.715 4.208 4.104 1.00 0.00 C ATOM 563 CG PHE A 42 -6.086 4.577 3.533 1.00 0.00 C ATOM 564 CD1 PHE A 42 -7.140 3.733 3.696 1.00 0.00 C ATOM 565 CD2 PHE A 42 -6.251 5.750 2.864 1.00 0.00 C ATOM 566 CE1 PHE A 42 -8.412 4.076 3.166 1.00 0.00 C ATOM 567 CE2 PHE A 42 -7.523 6.093 2.335 1.00 0.00 C ATOM 568 CZ PHE A 42 -8.577 5.248 2.497 1.00 0.00 C ATOM 0 H PHE A 42 -4.589 1.406 4.328 1.00 0.00 H new ATOM 0 HA PHE A 42 -3.892 3.392 2.251 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -4.841 3.863 5.130 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -4.095 5.104 4.143 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -7.010 2.802 4.228 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -5.414 6.420 2.735 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -9.249 3.405 3.294 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -7.654 7.024 1.804 1.00 0.00 H new ATOM 0 HZ PHE A 42 -9.545 5.508 2.094 1.00 0.00 H new ATOM 578 N VAL A 43 -1.724 3.942 3.556 1.00 0.00 N ATOM 579 CA VAL A 43 -0.348 3.921 4.024 1.00 0.00 C ATOM 580 C VAL A 43 -0.279 4.541 5.421 1.00 0.00 C ATOM 581 O VAL A 43 -0.913 5.562 5.682 1.00 0.00 O ATOM 582 CB VAL A 43 0.560 4.623 3.012 1.00 0.00 C ATOM 583 CG1 VAL A 43 1.940 4.898 3.613 1.00 0.00 C ATOM 584 CG2 VAL A 43 0.675 3.810 1.722 1.00 0.00 C ATOM 0 H VAL A 43 -1.967 4.750 2.983 1.00 0.00 H new ATOM 0 HA VAL A 43 0.012 2.895 4.106 1.00 0.00 H new ATOM 0 HB VAL A 43 0.106 5.582 2.763 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.566 5.397 2.873 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.834 5.537 4.490 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.404 3.956 3.904 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.326 4.331 1.020 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.095 2.829 1.946 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.313 3.689 1.279 1.00 0.00 H new ATOM 594 N SER A 44 0.496 3.898 6.282 1.00 0.00 N ATOM 595 CA SER A 44 0.655 4.373 7.645 1.00 0.00 C ATOM 596 C SER A 44 1.929 5.213 7.761 1.00 0.00 C ATOM 597 O SER A 44 1.992 6.145 8.561 1.00 0.00 O ATOM 598 CB SER A 44 0.697 3.207 8.634 1.00 0.00 C ATOM 599 OG SER A 44 1.985 3.054 9.225 1.00 0.00 O ATOM 0 H SER A 44 1.021 3.052 6.061 1.00 0.00 H new ATOM 0 HA SER A 44 -0.206 4.993 7.893 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.044 3.369 9.417 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.422 2.286 8.120 1.00 0.00 H new ATOM 0 HG SER A 44 1.970 2.300 9.851 1.00 0.00 H new ATOM 605 N PHE A 45 2.913 4.853 6.949 1.00 0.00 N ATOM 606 CA PHE A 45 4.181 5.561 6.950 1.00 0.00 C ATOM 607 C PHE A 45 5.025 5.178 5.733 1.00 0.00 C ATOM 608 O PHE A 45 4.709 4.217 5.032 1.00 0.00 O ATOM 609 CB PHE A 45 4.924 5.147 8.222 1.00 0.00 C ATOM 610 CG PHE A 45 6.386 5.598 8.264 1.00 0.00 C ATOM 611 CD1 PHE A 45 6.686 6.917 8.407 1.00 0.00 C ATOM 612 CD2 PHE A 45 7.384 4.681 8.157 1.00 0.00 C ATOM 613 CE1 PHE A 45 8.042 7.336 8.446 1.00 0.00 C ATOM 614 CE2 PHE A 45 8.740 5.100 8.196 1.00 0.00 C ATOM 615 CZ PHE A 45 9.041 6.418 8.340 1.00 0.00 C ATOM 0 H PHE A 45 2.857 4.080 6.286 1.00 0.00 H new ATOM 0 HA PHE A 45 4.006 6.636 6.913 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.402 5.559 9.086 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.887 4.062 8.315 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.893 7.645 8.491 1.00 0.00 H new ATOM 0 HD2 PHE A 45 7.145 3.634 8.042 1.00 0.00 H new ATOM 0 HE1 PHE A 45 8.281 8.383 8.560 1.00 0.00 H new ATOM 0 HE2 PHE A 45 9.533 4.371 8.111 1.00 0.00 H new ATOM 0 HZ PHE A 45 10.073 6.736 8.370 1.00 0.00 H new ATOM 625 N ILE A 46 6.081 5.949 5.518 1.00 0.00 N ATOM 626 CA ILE A 46 6.972 5.701 4.397 1.00 0.00 C ATOM 627 C ILE A 46 8.422 5.770 4.879 1.00 0.00 C ATOM 628 O ILE A 46 8.885 6.822 5.318 1.00 0.00 O ATOM 629 CB ILE A 46 6.661 6.659 3.244 1.00 0.00 C ATOM 630 CG1 ILE A 46 5.246 6.430 2.708 1.00 0.00 C ATOM 631 CG2 ILE A 46 7.717 6.550 2.142 1.00 0.00 C ATOM 632 CD1 ILE A 46 5.283 5.759 1.333 1.00 0.00 C ATOM 0 H ILE A 46 6.340 6.745 6.101 1.00 0.00 H new ATOM 0 HA ILE A 46 6.815 4.698 4.000 1.00 0.00 H new ATOM 0 HB ILE A 46 6.699 7.679 3.626 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.685 5.808 3.405 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.721 7.383 2.638 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.473 7.241 1.335 1.00 0.00 H new ATOM 0 HG22 ILE A 46 8.696 6.800 2.550 1.00 0.00 H new ATOM 0 HG23 ILE A 46 7.735 5.531 1.755 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.265 5.607 0.975 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.824 6.395 0.632 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.787 4.796 1.412 1.00 0.00 H new ATOM 644 N LEU A 47 9.099 4.635 4.781 1.00 0.00 N ATOM 645 CA LEU A 47 10.487 4.553 5.202 1.00 0.00 C ATOM 646 C LEU A 47 11.318 5.561 4.405 1.00 0.00 C ATOM 647 O LEU A 47 11.054 5.794 3.226 1.00 0.00 O ATOM 648 CB LEU A 47 10.996 3.115 5.092 1.00 0.00 C ATOM 649 CG LEU A 47 12.367 2.839 5.713 1.00 0.00 C ATOM 650 CD1 LEU A 47 13.488 3.410 4.842 1.00 0.00 C ATOM 651 CD2 LEU A 47 12.434 3.362 7.149 1.00 0.00 C ATOM 0 H LEU A 47 8.712 3.765 4.416 1.00 0.00 H new ATOM 0 HA LEU A 47 10.582 4.821 6.254 1.00 0.00 H new ATOM 0 HB2 LEU A 47 10.267 2.456 5.563 1.00 0.00 H new ATOM 0 HB3 LEU A 47 11.036 2.845 4.037 1.00 0.00 H new ATOM 0 HG LEU A 47 12.511 1.759 5.757 1.00 0.00 H new ATOM 0 HD11 LEU A 47 14.452 3.200 5.306 1.00 0.00 H new ATOM 0 HD12 LEU A 47 13.452 2.949 3.855 1.00 0.00 H new ATOM 0 HD13 LEU A 47 13.359 4.488 4.744 1.00 0.00 H new ATOM 0 HD21 LEU A 47 13.419 3.153 7.567 1.00 0.00 H new ATOM 0 HD22 LEU A 47 12.259 4.438 7.153 1.00 0.00 H new ATOM 0 HD23 LEU A 47 11.672 2.868 7.752 1.00 0.00 H new ATOM 663 N ALA A 48 12.304 6.133 5.080 1.00 0.00 N ATOM 664 CA ALA A 48 13.174 7.111 4.450 1.00 0.00 C ATOM 665 C ALA A 48 14.387 6.396 3.850 1.00 0.00 C ATOM 666 O ALA A 48 15.243 5.899 4.581 1.00 0.00 O ATOM 667 CB ALA A 48 13.573 8.175 5.474 1.00 0.00 C ATOM 0 H ALA A 48 12.520 5.938 6.058 1.00 0.00 H new ATOM 0 HA ALA A 48 12.655 7.619 3.638 1.00 0.00 H new ATOM 0 HB1 ALA A 48 14.226 8.909 5.001 1.00 0.00 H new ATOM 0 HB2 ALA A 48 12.679 8.673 5.848 1.00 0.00 H new ATOM 0 HB3 ALA A 48 14.099 7.703 6.303 1.00 0.00 H new ATOM 673 N GLY A 49 14.422 6.367 2.526 1.00 0.00 N ATOM 674 CA GLY A 49 15.516 5.721 1.820 1.00 0.00 C ATOM 675 C GLY A 49 15.035 4.459 1.102 1.00 0.00 C ATOM 676 O GLY A 49 15.745 3.911 0.260 1.00 0.00 O ATOM 0 H GLY A 49 13.710 6.780 1.923 1.00 0.00 H new ATOM 0 HA2 GLY A 49 15.946 6.414 1.097 1.00 0.00 H new ATOM 0 HA3 GLY A 49 16.307 5.464 2.525 1.00 0.00 H new ATOM 680 N GLY A 50 13.832 4.034 1.460 1.00 0.00 N ATOM 681 CA GLY A 50 13.249 2.846 0.860 1.00 0.00 C ATOM 682 C GLY A 50 12.832 3.112 -0.588 1.00 0.00 C ATOM 683 O GLY A 50 13.078 4.193 -1.120 1.00 0.00 O ATOM 0 H GLY A 50 13.245 4.491 2.158 1.00 0.00 H new ATOM 0 HA2 GLY A 50 13.969 2.028 0.891 1.00 0.00 H new ATOM 0 HA3 GLY A 50 12.382 2.529 1.440 1.00 0.00 H new ATOM 687 N PRO A 51 12.191 2.080 -1.200 1.00 0.00 N ATOM 688 CA PRO A 51 11.738 2.191 -2.576 1.00 0.00 C ATOM 689 C PRO A 51 10.489 3.070 -2.672 1.00 0.00 C ATOM 690 O PRO A 51 10.298 3.776 -3.661 1.00 0.00 O ATOM 691 CB PRO A 51 11.494 0.761 -3.027 1.00 0.00 C ATOM 692 CG PRO A 51 11.372 -0.062 -1.754 1.00 0.00 C ATOM 693 CD PRO A 51 11.882 0.785 -0.600 1.00 0.00 C ATOM 0 HA PRO A 51 12.469 2.678 -3.222 1.00 0.00 H new ATOM 0 HB2 PRO A 51 10.587 0.690 -3.627 1.00 0.00 H new ATOM 0 HB3 PRO A 51 12.315 0.402 -3.647 1.00 0.00 H new ATOM 0 HG2 PRO A 51 10.335 -0.352 -1.585 1.00 0.00 H new ATOM 0 HG3 PRO A 51 11.951 -0.982 -1.837 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.130 0.881 0.184 1.00 0.00 H new ATOM 0 HD3 PRO A 51 12.765 0.340 -0.142 1.00 0.00 H new ATOM 701 N ALA A 52 9.672 2.997 -1.633 1.00 0.00 N ATOM 702 CA ALA A 52 8.446 3.777 -1.588 1.00 0.00 C ATOM 703 C ALA A 52 8.796 5.263 -1.485 1.00 0.00 C ATOM 704 O ALA A 52 8.050 6.114 -1.965 1.00 0.00 O ATOM 705 CB ALA A 52 7.580 3.299 -0.421 1.00 0.00 C ATOM 0 H ALA A 52 9.834 2.410 -0.815 1.00 0.00 H new ATOM 0 HA ALA A 52 7.868 3.637 -2.501 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.661 3.884 -0.387 1.00 0.00 H new ATOM 0 HB2 ALA A 52 7.335 2.246 -0.557 1.00 0.00 H new ATOM 0 HB3 ALA A 52 8.126 3.427 0.514 1.00 0.00 H new ATOM 711 N ASP A 53 9.931 5.528 -0.855 1.00 0.00 N ATOM 712 CA ASP A 53 10.389 6.897 -0.683 1.00 0.00 C ATOM 713 C ASP A 53 11.287 7.281 -1.861 1.00 0.00 C ATOM 714 O ASP A 53 11.021 8.262 -2.554 1.00 0.00 O ATOM 715 CB ASP A 53 11.204 7.047 0.602 1.00 0.00 C ATOM 716 CG ASP A 53 12.034 8.329 0.696 1.00 0.00 C ATOM 717 OD1 ASP A 53 11.407 9.411 0.715 1.00 0.00 O ATOM 718 OD2 ASP A 53 13.276 8.199 0.745 1.00 0.00 O ATOM 0 H ASP A 53 10.547 4.819 -0.458 1.00 0.00 H new ATOM 0 HA ASP A 53 9.512 7.543 -0.631 1.00 0.00 H new ATOM 0 HB2 ASP A 53 10.523 7.010 1.452 1.00 0.00 H new ATOM 0 HB3 ASP A 53 11.873 6.191 0.692 1.00 0.00 H new ATOM 723 N LEU A 54 12.332 6.489 -2.050 1.00 0.00 N ATOM 724 CA LEU A 54 13.271 6.734 -3.132 1.00 0.00 C ATOM 725 C LEU A 54 12.497 6.946 -4.434 1.00 0.00 C ATOM 726 O LEU A 54 12.633 7.985 -5.079 1.00 0.00 O ATOM 727 CB LEU A 54 14.306 5.611 -3.207 1.00 0.00 C ATOM 728 CG LEU A 54 15.375 5.609 -2.113 1.00 0.00 C ATOM 729 CD1 LEU A 54 16.469 4.583 -2.415 1.00 0.00 C ATOM 730 CD2 LEU A 54 15.949 7.012 -1.904 1.00 0.00 C ATOM 0 H LEU A 54 12.549 5.677 -1.472 1.00 0.00 H new ATOM 0 HA LEU A 54 13.838 7.646 -2.946 1.00 0.00 H new ATOM 0 HB2 LEU A 54 13.780 4.657 -3.175 1.00 0.00 H new ATOM 0 HB3 LEU A 54 14.805 5.668 -4.174 1.00 0.00 H new ATOM 0 HG LEU A 54 14.903 5.310 -1.177 1.00 0.00 H new ATOM 0 HD11 LEU A 54 17.216 4.603 -1.621 1.00 0.00 H new ATOM 0 HD12 LEU A 54 16.028 3.588 -2.474 1.00 0.00 H new ATOM 0 HD13 LEU A 54 16.944 4.826 -3.366 1.00 0.00 H new ATOM 0 HD21 LEU A 54 16.707 6.982 -1.121 1.00 0.00 H new ATOM 0 HD22 LEU A 54 16.400 7.363 -2.832 1.00 0.00 H new ATOM 0 HD23 LEU A 54 15.150 7.692 -1.610 1.00 0.00 H new ATOM 742 N SER A 55 11.703 5.945 -4.783 1.00 0.00 N ATOM 743 CA SER A 55 10.907 6.009 -5.998 1.00 0.00 C ATOM 744 C SER A 55 10.257 7.387 -6.125 1.00 0.00 C ATOM 745 O SER A 55 10.035 7.873 -7.234 1.00 0.00 O ATOM 746 CB SER A 55 9.839 4.914 -6.014 1.00 0.00 C ATOM 747 OG SER A 55 10.411 3.609 -6.025 1.00 0.00 O ATOM 0 H SER A 55 11.593 5.085 -4.246 1.00 0.00 H new ATOM 0 HA SER A 55 11.568 5.847 -6.850 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.197 5.021 -5.139 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.205 5.039 -6.892 1.00 0.00 H new ATOM 0 HG SER A 55 10.767 3.401 -5.136 1.00 0.00 H new ATOM 753 N GLY A 56 9.969 7.980 -4.976 1.00 0.00 N ATOM 754 CA GLY A 56 9.348 9.293 -4.945 1.00 0.00 C ATOM 755 C GLY A 56 7.896 9.224 -5.421 1.00 0.00 C ATOM 756 O GLY A 56 7.285 10.252 -5.712 1.00 0.00 O ATOM 0 H GLY A 56 10.155 7.575 -4.059 1.00 0.00 H new ATOM 0 HA2 GLY A 56 9.384 9.692 -3.931 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.910 9.980 -5.578 1.00 0.00 H new ATOM 760 N GLU A 57 7.385 8.003 -5.487 1.00 0.00 N ATOM 761 CA GLU A 57 6.016 7.787 -5.923 1.00 0.00 C ATOM 762 C GLU A 57 5.089 7.650 -4.714 1.00 0.00 C ATOM 763 O GLU A 57 4.343 8.573 -4.391 1.00 0.00 O ATOM 764 CB GLU A 57 5.917 6.560 -6.831 1.00 0.00 C ATOM 765 CG GLU A 57 6.664 6.790 -8.147 1.00 0.00 C ATOM 766 CD GLU A 57 5.729 6.618 -9.345 1.00 0.00 C ATOM 767 OE1 GLU A 57 4.681 7.300 -9.350 1.00 0.00 O ATOM 768 OE2 GLU A 57 6.082 5.808 -10.230 1.00 0.00 O ATOM 0 H GLU A 57 7.895 7.153 -5.246 1.00 0.00 H new ATOM 0 HA GLU A 57 5.699 8.654 -6.503 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.332 5.691 -6.320 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.870 6.339 -7.037 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.092 7.792 -8.156 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.494 6.088 -8.225 1.00 0.00 H new ATOM 775 N LEU A 58 5.167 6.491 -4.077 1.00 0.00 N ATOM 776 CA LEU A 58 4.344 6.221 -2.910 1.00 0.00 C ATOM 777 C LEU A 58 4.576 7.314 -1.865 1.00 0.00 C ATOM 778 O LEU A 58 5.681 7.840 -1.745 1.00 0.00 O ATOM 779 CB LEU A 58 4.602 4.806 -2.388 1.00 0.00 C ATOM 780 CG LEU A 58 3.359 3.965 -2.090 1.00 0.00 C ATOM 781 CD1 LEU A 58 3.747 2.588 -1.547 1.00 0.00 C ATOM 782 CD2 LEU A 58 2.408 4.706 -1.148 1.00 0.00 C ATOM 0 H LEU A 58 5.788 5.728 -4.347 1.00 0.00 H new ATOM 0 HA LEU A 58 3.287 6.250 -3.174 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.209 4.275 -3.121 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.195 4.879 -1.476 1.00 0.00 H new ATOM 0 HG LEU A 58 2.823 3.803 -3.025 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.846 2.010 -1.343 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.355 2.064 -2.285 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.317 2.708 -0.626 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.533 4.086 -0.953 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.919 4.919 -0.209 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.094 5.642 -1.610 1.00 0.00 H new ATOM 794 N ARG A 59 3.515 7.624 -1.134 1.00 0.00 N ATOM 795 CA ARG A 59 3.588 8.645 -0.102 1.00 0.00 C ATOM 796 C ARG A 59 2.770 8.224 1.120 1.00 0.00 C ATOM 797 O ARG A 59 1.944 7.317 1.036 1.00 0.00 O ATOM 798 CB ARG A 59 3.068 9.987 -0.618 1.00 0.00 C ATOM 799 CG ARG A 59 3.840 10.434 -1.862 1.00 0.00 C ATOM 800 CD ARG A 59 4.046 11.950 -1.864 1.00 0.00 C ATOM 801 NE ARG A 59 5.321 12.286 -2.538 1.00 0.00 N ATOM 802 CZ ARG A 59 5.548 12.110 -3.846 1.00 0.00 C ATOM 803 NH1 ARG A 59 4.588 11.601 -4.631 1.00 0.00 N ATOM 804 NH2 ARG A 59 6.735 12.444 -4.371 1.00 0.00 N ATOM 0 H ARG A 59 2.600 7.186 -1.236 1.00 0.00 H new ATOM 0 HA ARG A 59 4.635 8.758 0.179 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.007 9.903 -0.855 1.00 0.00 H new ATOM 0 HB3 ARG A 59 3.162 10.742 0.163 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.807 9.932 -1.894 1.00 0.00 H new ATOM 0 HG3 ARG A 59 3.296 10.136 -2.758 1.00 0.00 H new ATOM 0 HD2 ARG A 59 3.216 12.438 -2.375 1.00 0.00 H new ATOM 0 HD3 ARG A 59 4.056 12.325 -0.841 1.00 0.00 H new ATOM 0 HE ARG A 59 6.073 12.676 -1.970 1.00 0.00 H new ATOM 0 HH11 ARG A 59 3.684 11.348 -4.232 1.00 0.00 H new ATOM 0 HH12 ARG A 59 4.761 11.467 -5.627 1.00 0.00 H new ATOM 0 HH21 ARG A 59 7.465 12.832 -3.774 1.00 0.00 H new ATOM 0 HH22 ARG A 59 6.908 12.310 -5.367 1.00 0.00 H new ATOM 818 N ARG A 60 3.028 8.904 2.228 1.00 0.00 N ATOM 819 CA ARG A 60 2.326 8.612 3.466 1.00 0.00 C ATOM 820 C ARG A 60 0.950 9.281 3.466 1.00 0.00 C ATOM 821 O ARG A 60 0.842 10.486 3.687 1.00 0.00 O ATOM 822 CB ARG A 60 3.122 9.098 4.678 1.00 0.00 C ATOM 823 CG ARG A 60 2.349 8.855 5.976 1.00 0.00 C ATOM 824 CD ARG A 60 2.988 9.606 7.145 1.00 0.00 C ATOM 825 NE ARG A 60 1.949 10.328 7.912 1.00 0.00 N ATOM 826 CZ ARG A 60 2.210 11.279 8.820 1.00 0.00 C ATOM 827 NH1 ARG A 60 3.477 11.628 9.079 1.00 0.00 N ATOM 828 NH2 ARG A 60 1.203 11.880 9.468 1.00 0.00 N ATOM 0 H ARG A 60 3.714 9.656 2.294 1.00 0.00 H new ATOM 0 HA ARG A 60 2.208 7.531 3.533 1.00 0.00 H new ATOM 0 HB2 ARG A 60 4.080 8.581 4.719 1.00 0.00 H new ATOM 0 HB3 ARG A 60 3.338 10.161 4.573 1.00 0.00 H new ATOM 0 HG2 ARG A 60 1.315 9.178 5.853 1.00 0.00 H new ATOM 0 HG3 ARG A 60 2.325 7.787 6.195 1.00 0.00 H new ATOM 0 HD2 ARG A 60 3.511 8.905 7.796 1.00 0.00 H new ATOM 0 HD3 ARG A 60 3.732 10.310 6.772 1.00 0.00 H new ATOM 0 HE ARG A 60 0.973 10.087 7.739 1.00 0.00 H new ATOM 0 HH11 ARG A 60 4.243 11.170 8.585 1.00 0.00 H new ATOM 0 HH12 ARG A 60 3.676 12.352 9.770 1.00 0.00 H new ATOM 0 HH21 ARG A 60 0.238 11.614 9.270 1.00 0.00 H new ATOM 0 HH22 ARG A 60 1.401 12.604 10.159 1.00 0.00 H new ATOM 842 N GLY A 61 -0.067 8.469 3.215 1.00 0.00 N ATOM 843 CA GLY A 61 -1.432 8.967 3.183 1.00 0.00 C ATOM 844 C GLY A 61 -2.227 8.316 2.049 1.00 0.00 C ATOM 845 O GLY A 61 -3.451 8.223 2.119 1.00 0.00 O ATOM 0 H GLY A 61 0.027 7.470 3.032 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.919 8.764 4.137 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -1.425 10.049 3.052 1.00 0.00 H new ATOM 849 N ASP A 62 -1.498 7.883 1.031 1.00 0.00 N ATOM 850 CA ASP A 62 -2.119 7.244 -0.116 1.00 0.00 C ATOM 851 C ASP A 62 -3.111 6.185 0.371 1.00 0.00 C ATOM 852 O ASP A 62 -3.105 5.817 1.545 1.00 0.00 O ATOM 853 CB ASP A 62 -1.076 6.547 -0.991 1.00 0.00 C ATOM 854 CG ASP A 62 -0.733 7.275 -2.293 1.00 0.00 C ATOM 855 OD1 ASP A 62 -0.094 8.344 -2.193 1.00 0.00 O ATOM 856 OD2 ASP A 62 -1.119 6.745 -3.357 1.00 0.00 O ATOM 0 H ASP A 62 -0.483 7.962 0.977 1.00 0.00 H new ATOM 0 HA ASP A 62 -2.622 8.015 -0.700 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -0.162 6.422 -0.411 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -1.438 5.548 -1.235 1.00 0.00 H new ATOM 861 N ARG A 63 -3.939 5.726 -0.555 1.00 0.00 N ATOM 862 CA ARG A 63 -4.935 4.717 -0.235 1.00 0.00 C ATOM 863 C ARG A 63 -4.728 3.473 -1.102 1.00 0.00 C ATOM 864 O ARG A 63 -5.092 3.464 -2.277 1.00 0.00 O ATOM 865 CB ARG A 63 -6.351 5.252 -0.452 1.00 0.00 C ATOM 866 CG ARG A 63 -7.395 4.165 -0.188 1.00 0.00 C ATOM 867 CD ARG A 63 -8.773 4.593 -0.696 1.00 0.00 C ATOM 868 NE ARG A 63 -9.686 3.428 -0.726 1.00 0.00 N ATOM 869 CZ ARG A 63 -10.955 3.479 -1.152 1.00 0.00 C ATOM 870 NH1 ARG A 63 -11.470 4.637 -1.587 1.00 0.00 N ATOM 871 NH2 ARG A 63 -11.709 2.371 -1.144 1.00 0.00 N ATOM 0 H ARG A 63 -3.941 6.034 -1.527 1.00 0.00 H new ATOM 0 HA ARG A 63 -4.816 4.455 0.816 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.528 6.100 0.210 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.453 5.618 -1.474 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -7.094 3.240 -0.679 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.446 3.957 0.881 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -9.183 5.370 -0.050 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -8.685 5.022 -1.694 1.00 0.00 H new ATOM 0 HE ARG A 63 -9.326 2.530 -0.402 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -10.896 5.480 -1.594 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -12.436 4.676 -1.911 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -11.317 1.489 -0.814 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -12.675 2.409 -1.468 1.00 0.00 H new ATOM 885 N ILE A 64 -4.145 2.454 -0.489 1.00 0.00 N ATOM 886 CA ILE A 64 -3.885 1.208 -1.191 1.00 0.00 C ATOM 887 C ILE A 64 -5.201 0.655 -1.743 1.00 0.00 C ATOM 888 O ILE A 64 -6.189 0.556 -1.018 1.00 0.00 O ATOM 889 CB ILE A 64 -3.139 0.228 -0.284 1.00 0.00 C ATOM 890 CG1 ILE A 64 -1.823 0.832 0.212 1.00 0.00 C ATOM 891 CG2 ILE A 64 -2.925 -1.115 -0.986 1.00 0.00 C ATOM 892 CD1 ILE A 64 -0.876 1.113 -0.956 1.00 0.00 C ATOM 0 H ILE A 64 -3.845 2.465 0.486 1.00 0.00 H new ATOM 0 HA ILE A 64 -3.228 1.381 -2.044 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.757 0.038 0.594 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.024 1.757 0.753 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.347 0.149 0.915 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.392 -1.793 -0.319 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.891 -1.547 -1.247 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.339 -0.963 -1.892 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.052 1.542 -0.577 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.658 0.182 -1.480 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.346 1.815 -1.644 1.00 0.00 H new ATOM 904 N LEU A 65 -5.170 0.310 -3.022 1.00 0.00 N ATOM 905 CA LEU A 65 -6.348 -0.230 -3.680 1.00 0.00 C ATOM 906 C LEU A 65 -6.109 -1.704 -4.015 1.00 0.00 C ATOM 907 O LEU A 65 -6.945 -2.555 -3.718 1.00 0.00 O ATOM 908 CB LEU A 65 -6.722 0.623 -4.893 1.00 0.00 C ATOM 909 CG LEU A 65 -7.432 1.944 -4.590 1.00 0.00 C ATOM 910 CD1 LEU A 65 -7.334 2.904 -5.778 1.00 0.00 C ATOM 911 CD2 LEU A 65 -8.882 1.703 -4.167 1.00 0.00 C ATOM 0 H LEU A 65 -4.348 0.394 -3.620 1.00 0.00 H new ATOM 0 HA LEU A 65 -7.209 -0.190 -3.013 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.813 0.842 -5.453 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -7.363 0.030 -5.546 1.00 0.00 H new ATOM 0 HG LEU A 65 -6.926 2.418 -3.749 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.847 3.835 -5.537 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.286 3.112 -5.992 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.800 2.450 -6.652 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.363 2.658 -3.958 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.416 1.196 -4.971 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -8.901 1.083 -3.271 1.00 0.00 H new ATOM 923 N SER A 66 -4.963 -1.960 -4.628 1.00 0.00 N ATOM 924 CA SER A 66 -4.603 -3.316 -5.006 1.00 0.00 C ATOM 925 C SER A 66 -3.091 -3.513 -4.875 1.00 0.00 C ATOM 926 O SER A 66 -2.331 -2.546 -4.902 1.00 0.00 O ATOM 927 CB SER A 66 -5.057 -3.628 -6.434 1.00 0.00 C ATOM 928 OG SER A 66 -4.731 -2.577 -7.339 1.00 0.00 O ATOM 0 H SER A 66 -4.271 -1.251 -4.872 1.00 0.00 H new ATOM 0 HA SER A 66 -5.112 -4.005 -4.332 1.00 0.00 H new ATOM 0 HB2 SER A 66 -4.589 -4.553 -6.769 1.00 0.00 H new ATOM 0 HB3 SER A 66 -6.134 -3.794 -6.444 1.00 0.00 H new ATOM 0 HG SER A 66 -5.035 -2.815 -8.240 1.00 0.00 H new ATOM 934 N VAL A 67 -2.700 -4.771 -4.736 1.00 0.00 N ATOM 935 CA VAL A 67 -1.293 -5.107 -4.601 1.00 0.00 C ATOM 936 C VAL A 67 -0.922 -6.160 -5.646 1.00 0.00 C ATOM 937 O VAL A 67 -1.560 -7.208 -5.730 1.00 0.00 O ATOM 938 CB VAL A 67 -0.998 -5.556 -3.168 1.00 0.00 C ATOM 939 CG1 VAL A 67 0.222 -6.479 -3.123 1.00 0.00 C ATOM 940 CG2 VAL A 67 -0.808 -4.351 -2.244 1.00 0.00 C ATOM 0 H VAL A 67 -3.333 -5.570 -4.714 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.671 -4.231 -4.788 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.859 -6.121 -2.810 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.410 -6.784 -2.093 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.033 -7.362 -3.734 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.093 -5.950 -3.510 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.600 -4.698 -1.232 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.027 -3.748 -2.600 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.716 -3.748 -2.241 1.00 0.00 H new ATOM 950 N ASN A 68 0.109 -5.845 -6.416 1.00 0.00 N ATOM 951 CA ASN A 68 0.573 -6.752 -7.453 1.00 0.00 C ATOM 952 C ASN A 68 -0.605 -7.142 -8.348 1.00 0.00 C ATOM 953 O ASN A 68 -0.619 -8.229 -8.923 1.00 0.00 O ATOM 954 CB ASN A 68 1.150 -8.033 -6.846 1.00 0.00 C ATOM 955 CG ASN A 68 2.350 -8.530 -7.655 1.00 0.00 C ATOM 956 OD1 ASN A 68 2.448 -8.333 -8.855 1.00 0.00 O ATOM 957 ND2 ASN A 68 3.256 -9.183 -6.933 1.00 0.00 N ATOM 0 H ASN A 68 0.636 -4.975 -6.343 1.00 0.00 H new ATOM 0 HA ASN A 68 1.349 -6.242 -8.025 1.00 0.00 H new ATOM 0 HB2 ASN A 68 1.453 -7.847 -5.816 1.00 0.00 H new ATOM 0 HB3 ASN A 68 0.381 -8.805 -6.818 1.00 0.00 H new ATOM 0 HD21 ASN A 68 4.094 -9.554 -7.381 1.00 0.00 H new ATOM 0 HD22 ASN A 68 3.113 -9.313 -5.932 1.00 0.00 H new ATOM 964 N GLY A 69 -1.564 -6.232 -8.439 1.00 0.00 N ATOM 965 CA GLY A 69 -2.743 -6.468 -9.254 1.00 0.00 C ATOM 966 C GLY A 69 -3.743 -7.369 -8.526 1.00 0.00 C ATOM 967 O GLY A 69 -4.384 -8.217 -9.145 1.00 0.00 O ATOM 0 H GLY A 69 -1.548 -5.331 -7.962 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.216 -5.517 -9.499 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.451 -6.931 -10.197 1.00 0.00 H new ATOM 971 N VAL A 70 -3.844 -7.154 -7.223 1.00 0.00 N ATOM 972 CA VAL A 70 -4.754 -7.936 -6.404 1.00 0.00 C ATOM 973 C VAL A 70 -5.828 -7.015 -5.820 1.00 0.00 C ATOM 974 O VAL A 70 -5.511 -5.991 -5.217 1.00 0.00 O ATOM 975 CB VAL A 70 -3.972 -8.697 -5.332 1.00 0.00 C ATOM 976 CG1 VAL A 70 -4.918 -9.443 -4.389 1.00 0.00 C ATOM 977 CG2 VAL A 70 -2.962 -9.655 -5.967 1.00 0.00 C ATOM 0 H VAL A 70 -3.311 -6.449 -6.714 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.263 -8.686 -7.009 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.417 -7.968 -4.741 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.336 -9.976 -3.637 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -5.580 -8.729 -3.898 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -5.513 -10.156 -4.960 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.419 -10.184 -5.183 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -3.488 -10.375 -6.593 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.258 -9.089 -6.577 1.00 0.00 H new ATOM 987 N ASN A 71 -7.076 -7.413 -6.020 1.00 0.00 N ATOM 988 CA ASN A 71 -8.197 -6.635 -5.521 1.00 0.00 C ATOM 989 C ASN A 71 -8.186 -6.656 -3.991 1.00 0.00 C ATOM 990 O ASN A 71 -8.309 -7.717 -3.380 1.00 0.00 O ATOM 991 CB ASN A 71 -9.529 -7.225 -5.992 1.00 0.00 C ATOM 992 CG ASN A 71 -10.528 -6.117 -6.333 1.00 0.00 C ATOM 993 OD1 ASN A 71 -10.172 -5.044 -6.792 1.00 0.00 O ATOM 994 ND2 ASN A 71 -11.795 -6.437 -6.085 1.00 0.00 N ATOM 0 H ASN A 71 -7.335 -8.263 -6.520 1.00 0.00 H new ATOM 0 HA ASN A 71 -8.098 -5.618 -5.901 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -9.364 -7.853 -6.867 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -9.943 -7.866 -5.214 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -12.538 -5.766 -6.280 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -12.024 -7.354 -5.700 1.00 0.00 H new ATOM 1001 N LEU A 72 -8.037 -5.472 -3.416 1.00 0.00 N ATOM 1002 CA LEU A 72 -8.008 -5.341 -1.969 1.00 0.00 C ATOM 1003 C LEU A 72 -8.821 -4.112 -1.556 1.00 0.00 C ATOM 1004 O LEU A 72 -8.703 -3.636 -0.428 1.00 0.00 O ATOM 1005 CB LEU A 72 -6.565 -5.323 -1.461 1.00 0.00 C ATOM 1006 CG LEU A 72 -5.726 -6.562 -1.780 1.00 0.00 C ATOM 1007 CD1 LEU A 72 -4.231 -6.239 -1.734 1.00 0.00 C ATOM 1008 CD2 LEU A 72 -6.090 -7.723 -0.852 1.00 0.00 C ATOM 0 H LEU A 72 -7.935 -4.594 -3.926 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.476 -6.206 -1.499 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.064 -4.451 -1.881 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.583 -5.190 -0.379 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.956 -6.878 -2.798 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.658 -7.137 -1.964 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.003 -5.465 -2.467 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.966 -5.885 -0.738 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.480 -8.592 -1.099 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.906 -7.433 0.183 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.144 -7.972 -0.977 1.00 0.00 H new ATOM 1020 N ARG A 73 -9.627 -3.634 -2.492 1.00 0.00 N ATOM 1021 CA ARG A 73 -10.460 -2.470 -2.240 1.00 0.00 C ATOM 1022 C ARG A 73 -11.143 -2.592 -0.876 1.00 0.00 C ATOM 1023 O ARG A 73 -11.224 -1.618 -0.129 1.00 0.00 O ATOM 1024 CB ARG A 73 -11.526 -2.310 -3.325 1.00 0.00 C ATOM 1025 CG ARG A 73 -11.144 -1.202 -4.309 1.00 0.00 C ATOM 1026 CD ARG A 73 -11.616 -1.540 -5.725 1.00 0.00 C ATOM 1027 NE ARG A 73 -13.036 -1.155 -5.890 1.00 0.00 N ATOM 1028 CZ ARG A 73 -13.740 -1.346 -7.014 1.00 0.00 C ATOM 1029 NH1 ARG A 73 -13.161 -1.918 -8.078 1.00 0.00 N ATOM 1030 NH2 ARG A 73 -15.023 -0.965 -7.074 1.00 0.00 N ATOM 0 H ARG A 73 -9.721 -4.031 -3.427 1.00 0.00 H new ATOM 0 HA ARG A 73 -9.815 -1.592 -2.250 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -11.649 -3.251 -3.861 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -12.486 -2.078 -2.865 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -11.587 -0.259 -3.990 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -10.063 -1.064 -4.305 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -11.001 -1.016 -6.457 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -11.496 -2.607 -5.913 1.00 0.00 H new ATOM 0 HE ARG A 73 -13.508 -0.717 -5.099 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -12.184 -2.208 -8.033 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -13.697 -2.063 -8.934 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -15.464 -0.529 -6.264 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -15.559 -1.110 -7.930 1.00 0.00 H new ATOM 1044 N ASN A 74 -11.618 -3.796 -0.594 1.00 0.00 N ATOM 1045 CA ASN A 74 -12.292 -4.058 0.667 1.00 0.00 C ATOM 1046 C ASN A 74 -11.711 -5.326 1.297 1.00 0.00 C ATOM 1047 O ASN A 74 -12.451 -6.245 1.646 1.00 0.00 O ATOM 1048 CB ASN A 74 -13.791 -4.280 0.454 1.00 0.00 C ATOM 1049 CG ASN A 74 -14.519 -2.950 0.252 1.00 0.00 C ATOM 1050 OD1 ASN A 74 -13.948 -1.958 -0.170 1.00 0.00 O ATOM 1051 ND2 ASN A 74 -15.809 -2.985 0.575 1.00 0.00 N ATOM 0 H ASN A 74 -11.550 -4.601 -1.217 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.144 -3.194 1.315 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -13.948 -4.920 -0.414 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -14.211 -4.801 1.314 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -16.383 -2.148 0.475 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -16.224 -3.849 0.923 1.00 0.00 H new ATOM 1058 N ALA A 75 -10.392 -5.334 1.424 1.00 0.00 N ATOM 1059 CA ALA A 75 -9.704 -6.473 2.006 1.00 0.00 C ATOM 1060 C ALA A 75 -9.232 -6.112 3.416 1.00 0.00 C ATOM 1061 O ALA A 75 -9.053 -4.937 3.733 1.00 0.00 O ATOM 1062 CB ALA A 75 -8.549 -6.893 1.095 1.00 0.00 C ATOM 0 H ALA A 75 -9.782 -4.570 1.134 1.00 0.00 H new ATOM 0 HA ALA A 75 -10.378 -7.325 2.091 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -8.033 -7.748 1.532 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.940 -7.167 0.115 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.850 -6.063 0.988 1.00 0.00 H new ATOM 1068 N THR A 76 -9.044 -7.145 4.225 1.00 0.00 N ATOM 1069 CA THR A 76 -8.597 -6.951 5.594 1.00 0.00 C ATOM 1070 C THR A 76 -7.104 -6.617 5.625 1.00 0.00 C ATOM 1071 O THR A 76 -6.404 -6.795 4.629 1.00 0.00 O ATOM 1072 CB THR A 76 -8.955 -8.207 6.391 1.00 0.00 C ATOM 1073 OG1 THR A 76 -8.667 -9.279 5.497 1.00 0.00 O ATOM 1074 CG2 THR A 76 -10.458 -8.329 6.647 1.00 0.00 C ATOM 0 H THR A 76 -9.193 -8.118 3.959 1.00 0.00 H new ATOM 0 HA THR A 76 -9.098 -6.101 6.057 1.00 0.00 H new ATOM 0 HB THR A 76 -8.424 -8.196 7.343 1.00 0.00 H new ATOM 0 HG1 THR A 76 -8.869 -10.133 5.934 1.00 0.00 H new ATOM 0 HG21 THR A 76 -10.658 -9.237 7.216 1.00 0.00 H new ATOM 0 HG22 THR A 76 -10.802 -7.463 7.213 1.00 0.00 H new ATOM 0 HG23 THR A 76 -10.987 -8.374 5.695 1.00 0.00 H new ATOM 1082 N HIS A 77 -6.661 -6.140 6.779 1.00 0.00 N ATOM 1083 CA HIS A 77 -5.264 -5.779 6.952 1.00 0.00 C ATOM 1084 C HIS A 77 -4.375 -6.941 6.505 1.00 0.00 C ATOM 1085 O HIS A 77 -3.500 -6.768 5.658 1.00 0.00 O ATOM 1086 CB HIS A 77 -4.990 -5.344 8.393 1.00 0.00 C ATOM 1087 CG HIS A 77 -3.709 -4.563 8.566 1.00 0.00 C ATOM 1088 ND1 HIS A 77 -3.260 -4.123 9.799 1.00 0.00 N ATOM 1089 CD2 HIS A 77 -2.787 -4.150 7.651 1.00 0.00 C ATOM 1090 CE1 HIS A 77 -2.119 -3.475 9.622 1.00 0.00 C ATOM 1091 NE2 HIS A 77 -1.827 -3.492 8.289 1.00 0.00 N ATOM 0 H HIS A 77 -7.244 -5.995 7.603 1.00 0.00 H new ATOM 0 HA HIS A 77 -5.026 -4.921 6.323 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -5.824 -4.736 8.743 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -4.952 -6.229 9.028 1.00 0.00 H new ATOM 0 HD1 HIS A 77 -3.729 -4.273 10.693 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -2.830 -4.328 6.587 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -1.524 -3.014 10.396 1.00 0.00 H new ATOM 1099 N GLU A 78 -4.629 -8.100 7.095 1.00 0.00 N ATOM 1100 CA GLU A 78 -3.863 -9.290 6.768 1.00 0.00 C ATOM 1101 C GLU A 78 -3.863 -9.523 5.255 1.00 0.00 C ATOM 1102 O GLU A 78 -2.804 -9.618 4.638 1.00 0.00 O ATOM 1103 CB GLU A 78 -4.405 -10.513 7.511 1.00 0.00 C ATOM 1104 CG GLU A 78 -4.013 -11.808 6.795 1.00 0.00 C ATOM 1105 CD GLU A 78 -4.552 -13.031 7.541 1.00 0.00 C ATOM 1106 OE1 GLU A 78 -4.338 -13.084 8.771 1.00 0.00 O ATOM 1107 OE2 GLU A 78 -5.165 -13.884 6.864 1.00 0.00 O ATOM 0 H GLU A 78 -5.355 -8.240 7.798 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.834 -9.136 7.092 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.018 -10.525 8.530 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -5.491 -10.447 7.583 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.403 -11.797 5.777 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -2.927 -11.872 6.720 1.00 0.00 H new ATOM 1114 N GLN A 79 -5.064 -9.609 4.703 1.00 0.00 N ATOM 1115 CA GLN A 79 -5.217 -9.829 3.274 1.00 0.00 C ATOM 1116 C GLN A 79 -4.370 -8.825 2.489 1.00 0.00 C ATOM 1117 O GLN A 79 -3.808 -9.162 1.449 1.00 0.00 O ATOM 1118 CB GLN A 79 -6.688 -9.747 2.861 1.00 0.00 C ATOM 1119 CG GLN A 79 -7.477 -10.940 3.404 1.00 0.00 C ATOM 1120 CD GLN A 79 -8.981 -10.736 3.211 1.00 0.00 C ATOM 1121 OE1 GLN A 79 -9.435 -9.730 2.692 1.00 0.00 O ATOM 1122 NE2 GLN A 79 -9.725 -11.745 3.657 1.00 0.00 N ATOM 0 H GLN A 79 -5.940 -9.530 5.219 1.00 0.00 H new ATOM 0 HA GLN A 79 -4.864 -10.833 3.041 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -7.123 -8.819 3.233 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.763 -9.721 1.774 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -7.162 -11.851 2.895 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -7.257 -11.074 4.463 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.279 -12.558 4.082 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -10.741 -11.705 3.574 1.00 0.00 H new ATOM 1131 N ALA A 80 -4.306 -7.612 3.019 1.00 0.00 N ATOM 1132 CA ALA A 80 -3.537 -6.557 2.380 1.00 0.00 C ATOM 1133 C ALA A 80 -2.044 -6.852 2.538 1.00 0.00 C ATOM 1134 O ALA A 80 -1.226 -6.371 1.756 1.00 0.00 O ATOM 1135 CB ALA A 80 -3.931 -5.205 2.979 1.00 0.00 C ATOM 0 H ALA A 80 -4.773 -7.336 3.883 1.00 0.00 H new ATOM 0 HA ALA A 80 -3.753 -6.517 1.312 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -3.355 -4.413 2.500 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -4.994 -5.030 2.815 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -3.725 -5.207 4.049 1.00 0.00 H new ATOM 1141 N ALA A 81 -1.735 -7.642 3.556 1.00 0.00 N ATOM 1142 CA ALA A 81 -0.355 -8.008 3.827 1.00 0.00 C ATOM 1143 C ALA A 81 -0.009 -9.283 3.055 1.00 0.00 C ATOM 1144 O ALA A 81 1.032 -9.355 2.404 1.00 0.00 O ATOM 1145 CB ALA A 81 -0.155 -8.166 5.335 1.00 0.00 C ATOM 0 H ALA A 81 -2.417 -8.039 4.203 1.00 0.00 H new ATOM 0 HA ALA A 81 0.323 -7.224 3.489 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.880 -8.441 5.538 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.385 -7.224 5.833 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.817 -8.946 5.710 1.00 0.00 H new ATOM 1151 N ALA A 82 -0.901 -10.257 3.155 1.00 0.00 N ATOM 1152 CA ALA A 82 -0.703 -11.526 2.475 1.00 0.00 C ATOM 1153 C ALA A 82 -0.501 -11.272 0.980 1.00 0.00 C ATOM 1154 O ALA A 82 0.040 -12.119 0.270 1.00 0.00 O ATOM 1155 CB ALA A 82 -1.893 -12.446 2.755 1.00 0.00 C ATOM 0 H ALA A 82 -1.763 -10.193 3.697 1.00 0.00 H new ATOM 0 HA ALA A 82 0.191 -12.026 2.848 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.745 -13.398 2.245 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -1.975 -12.618 3.828 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -2.808 -11.978 2.391 1.00 0.00 H new ATOM 1161 N ALA A 83 -0.946 -10.102 0.545 1.00 0.00 N ATOM 1162 CA ALA A 83 -0.820 -9.726 -0.853 1.00 0.00 C ATOM 1163 C ALA A 83 0.594 -9.201 -1.110 1.00 0.00 C ATOM 1164 O ALA A 83 1.046 -9.160 -2.253 1.00 0.00 O ATOM 1165 CB ALA A 83 -1.897 -8.698 -1.203 1.00 0.00 C ATOM 0 H ALA A 83 -1.394 -9.402 1.136 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.972 -10.591 -1.499 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.803 -8.415 -2.252 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.883 -9.130 -1.031 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.774 -7.814 -0.577 1.00 0.00 H new ATOM 1171 N LEU A 84 1.252 -8.813 -0.028 1.00 0.00 N ATOM 1172 CA LEU A 84 2.606 -8.292 -0.123 1.00 0.00 C ATOM 1173 C LEU A 84 3.601 -9.413 0.180 1.00 0.00 C ATOM 1174 O LEU A 84 4.732 -9.391 -0.303 1.00 0.00 O ATOM 1175 CB LEU A 84 2.771 -7.064 0.775 1.00 0.00 C ATOM 1176 CG LEU A 84 2.147 -5.766 0.258 1.00 0.00 C ATOM 1177 CD1 LEU A 84 2.173 -4.679 1.334 1.00 0.00 C ATOM 1178 CD2 LEU A 84 2.824 -5.310 -1.036 1.00 0.00 C ATOM 0 H LEU A 84 0.874 -8.849 0.919 1.00 0.00 H new ATOM 0 HA LEU A 84 2.812 -7.948 -1.136 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.337 -7.290 1.749 1.00 0.00 H new ATOM 0 HB3 LEU A 84 3.836 -6.894 0.933 1.00 0.00 H new ATOM 0 HG LEU A 84 1.101 -5.960 0.022 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.724 -3.767 0.941 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.609 -5.015 2.204 1.00 0.00 H new ATOM 0 HD13 LEU A 84 3.204 -4.479 1.625 1.00 0.00 H new ATOM 0 HD21 LEU A 84 2.362 -4.386 -1.382 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.884 -5.138 -0.851 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.709 -6.081 -1.798 1.00 0.00 H new ATOM 1190 N LYS A 85 3.145 -10.368 0.978 1.00 0.00 N ATOM 1191 CA LYS A 85 3.982 -11.495 1.351 1.00 0.00 C ATOM 1192 C LYS A 85 4.051 -12.481 0.183 1.00 0.00 C ATOM 1193 O LYS A 85 4.948 -13.321 0.127 1.00 0.00 O ATOM 1194 CB LYS A 85 3.486 -12.122 2.655 1.00 0.00 C ATOM 1195 CG LYS A 85 4.204 -11.516 3.863 1.00 0.00 C ATOM 1196 CD LYS A 85 3.423 -10.326 4.425 1.00 0.00 C ATOM 1197 CE LYS A 85 4.369 -9.283 5.024 1.00 0.00 C ATOM 1198 NZ LYS A 85 4.871 -9.734 6.341 1.00 0.00 N ATOM 0 H LYS A 85 2.206 -10.384 1.376 1.00 0.00 H new ATOM 0 HA LYS A 85 5.001 -11.163 1.551 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.411 -11.968 2.751 1.00 0.00 H new ATOM 0 HB3 LYS A 85 3.652 -13.199 2.631 1.00 0.00 H new ATOM 0 HG2 LYS A 85 4.325 -12.274 4.637 1.00 0.00 H new ATOM 0 HG3 LYS A 85 5.204 -11.195 3.573 1.00 0.00 H new ATOM 0 HD2 LYS A 85 2.828 -9.870 3.633 1.00 0.00 H new ATOM 0 HD3 LYS A 85 2.726 -10.672 5.189 1.00 0.00 H new ATOM 0 HE2 LYS A 85 5.207 -9.112 4.348 1.00 0.00 H new ATOM 0 HE3 LYS A 85 3.849 -8.331 5.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 5.511 -9.015 6.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 4.069 -9.874 6.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 5.385 -10.631 6.228 1.00 0.00 H new ATOM 1212 N ARG A 86 3.093 -12.346 -0.722 1.00 0.00 N ATOM 1213 CA ARG A 86 3.034 -13.214 -1.886 1.00 0.00 C ATOM 1214 C ARG A 86 3.761 -12.569 -3.067 1.00 0.00 C ATOM 1215 O ARG A 86 4.146 -13.254 -4.013 1.00 0.00 O ATOM 1216 CB ARG A 86 1.585 -13.504 -2.284 1.00 0.00 C ATOM 1217 CG ARG A 86 0.936 -12.274 -2.922 1.00 0.00 C ATOM 1218 CD ARG A 86 -0.245 -12.676 -3.808 1.00 0.00 C ATOM 1219 NE ARG A 86 -0.149 -11.995 -5.119 1.00 0.00 N ATOM 1220 CZ ARG A 86 -0.895 -12.311 -6.186 1.00 0.00 C ATOM 1221 NH1 ARG A 86 -1.796 -13.299 -6.105 1.00 0.00 N ATOM 1222 NH2 ARG A 86 -0.739 -11.640 -7.335 1.00 0.00 N ATOM 0 H ARG A 86 2.351 -11.648 -0.673 1.00 0.00 H new ATOM 0 HA ARG A 86 3.522 -14.153 -1.624 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.556 -14.339 -2.984 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.016 -13.805 -1.405 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.595 -11.592 -2.143 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.674 -11.735 -3.516 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.252 -13.757 -3.950 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -1.183 -12.412 -3.320 1.00 0.00 H new ATOM 0 HE ARG A 86 0.527 -11.238 -5.216 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -1.914 -13.811 -5.231 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -2.364 -13.539 -6.918 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -0.052 -10.888 -7.398 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.307 -11.881 -8.147 1.00 0.00 H new ATOM 1236 N ALA A 87 3.928 -11.258 -2.973 1.00 0.00 N ATOM 1237 CA ALA A 87 4.602 -10.512 -4.022 1.00 0.00 C ATOM 1238 C ALA A 87 6.069 -10.944 -4.087 1.00 0.00 C ATOM 1239 O ALA A 87 6.381 -12.120 -3.911 1.00 0.00 O ATOM 1240 CB ALA A 87 4.446 -9.012 -3.764 1.00 0.00 C ATOM 0 H ALA A 87 3.608 -10.693 -2.186 1.00 0.00 H new ATOM 0 HA ALA A 87 4.153 -10.723 -4.992 1.00 0.00 H new ATOM 0 HB1 ALA A 87 4.952 -8.453 -4.551 1.00 0.00 H new ATOM 0 HB2 ALA A 87 3.387 -8.752 -3.757 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.887 -8.761 -2.800 1.00 0.00 H new ATOM 1246 N GLY A 88 6.929 -9.968 -4.339 1.00 0.00 N ATOM 1247 CA GLY A 88 8.355 -10.232 -4.428 1.00 0.00 C ATOM 1248 C GLY A 88 9.150 -8.927 -4.513 1.00 0.00 C ATOM 1249 O GLY A 88 8.810 -7.945 -3.856 1.00 0.00 O ATOM 0 H GLY A 88 6.666 -8.993 -4.484 1.00 0.00 H new ATOM 0 HA2 GLY A 88 8.678 -10.803 -3.557 1.00 0.00 H new ATOM 0 HA3 GLY A 88 8.561 -10.845 -5.305 1.00 0.00 H new ATOM 1253 N GLN A 89 10.193 -8.960 -5.329 1.00 0.00 N ATOM 1254 CA GLN A 89 11.039 -7.792 -5.509 1.00 0.00 C ATOM 1255 C GLN A 89 10.241 -6.652 -6.144 1.00 0.00 C ATOM 1256 O GLN A 89 10.238 -5.532 -5.634 1.00 0.00 O ATOM 1257 CB GLN A 89 12.272 -8.133 -6.349 1.00 0.00 C ATOM 1258 CG GLN A 89 13.406 -8.661 -5.468 1.00 0.00 C ATOM 1259 CD GLN A 89 14.624 -7.737 -5.530 1.00 0.00 C ATOM 1260 OE1 GLN A 89 14.613 -6.694 -6.164 1.00 0.00 O ATOM 1261 NE2 GLN A 89 15.672 -8.176 -4.839 1.00 0.00 N ATOM 0 H GLN A 89 10.472 -9.777 -5.873 1.00 0.00 H new ATOM 0 HA GLN A 89 11.387 -7.464 -4.529 1.00 0.00 H new ATOM 0 HB2 GLN A 89 12.011 -8.880 -7.098 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.607 -7.246 -6.887 1.00 0.00 H new ATOM 0 HG2 GLN A 89 13.061 -8.746 -4.437 1.00 0.00 H new ATOM 0 HG3 GLN A 89 13.688 -9.662 -5.793 1.00 0.00 H new ATOM 0 HE21 GLN A 89 15.614 -9.058 -4.330 1.00 0.00 H new ATOM 0 HE22 GLN A 89 16.534 -7.631 -4.818 1.00 0.00 H new ATOM 1270 N SER A 90 9.584 -6.975 -7.248 1.00 0.00 N ATOM 1271 CA SER A 90 8.784 -5.991 -7.958 1.00 0.00 C ATOM 1272 C SER A 90 7.312 -6.135 -7.569 1.00 0.00 C ATOM 1273 O SER A 90 6.615 -7.013 -8.076 1.00 0.00 O ATOM 1274 CB SER A 90 8.950 -6.136 -9.472 1.00 0.00 C ATOM 1275 OG SER A 90 9.601 -7.354 -9.824 1.00 0.00 O ATOM 0 H SER A 90 9.589 -7.904 -7.669 1.00 0.00 H new ATOM 0 HA SER A 90 9.132 -4.998 -7.675 1.00 0.00 H new ATOM 0 HB2 SER A 90 7.971 -6.097 -9.949 1.00 0.00 H new ATOM 0 HB3 SER A 90 9.525 -5.293 -9.856 1.00 0.00 H new ATOM 0 HG SER A 90 9.686 -7.409 -10.799 1.00 0.00 H new ATOM 1281 N VAL A 91 6.881 -5.259 -6.673 1.00 0.00 N ATOM 1282 CA VAL A 91 5.504 -5.278 -6.210 1.00 0.00 C ATOM 1283 C VAL A 91 4.773 -4.046 -6.749 1.00 0.00 C ATOM 1284 O VAL A 91 5.229 -2.919 -6.563 1.00 0.00 O ATOM 1285 CB VAL A 91 5.466 -5.375 -4.684 1.00 0.00 C ATOM 1286 CG1 VAL A 91 4.042 -5.633 -4.186 1.00 0.00 C ATOM 1287 CG2 VAL A 91 6.427 -6.454 -4.180 1.00 0.00 C ATOM 0 H VAL A 91 7.461 -4.532 -6.255 1.00 0.00 H new ATOM 0 HA VAL A 91 4.985 -6.158 -6.591 1.00 0.00 H new ATOM 0 HB VAL A 91 5.794 -4.418 -4.279 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.043 -5.698 -3.098 1.00 0.00 H new ATOM 0 HG12 VAL A 91 3.393 -4.816 -4.500 1.00 0.00 H new ATOM 0 HG13 VAL A 91 3.674 -6.570 -4.605 1.00 0.00 H new ATOM 0 HG21 VAL A 91 6.381 -6.503 -3.092 1.00 0.00 H new ATOM 0 HG22 VAL A 91 6.142 -7.419 -4.599 1.00 0.00 H new ATOM 0 HG23 VAL A 91 7.443 -6.210 -4.490 1.00 0.00 H new ATOM 1297 N THR A 92 3.652 -4.303 -7.406 1.00 0.00 N ATOM 1298 CA THR A 92 2.854 -3.229 -7.973 1.00 0.00 C ATOM 1299 C THR A 92 1.754 -2.810 -6.996 1.00 0.00 C ATOM 1300 O THR A 92 0.725 -3.476 -6.890 1.00 0.00 O ATOM 1301 CB THR A 92 2.317 -3.702 -9.325 1.00 0.00 C ATOM 1302 OG1 THR A 92 3.477 -4.150 -10.022 1.00 0.00 O ATOM 1303 CG2 THR A 92 1.790 -2.549 -10.182 1.00 0.00 C ATOM 0 H THR A 92 3.277 -5.239 -7.559 1.00 0.00 H new ATOM 0 HA THR A 92 3.455 -2.335 -8.140 1.00 0.00 H new ATOM 0 HB THR A 92 1.521 -4.429 -9.165 1.00 0.00 H new ATOM 0 HG1 THR A 92 3.220 -4.476 -10.910 1.00 0.00 H new ATOM 0 HG21 THR A 92 1.421 -2.940 -11.130 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.978 -2.046 -9.656 1.00 0.00 H new ATOM 0 HG23 THR A 92 2.595 -1.839 -10.371 1.00 0.00 H new ATOM 1311 N ILE A 93 2.008 -1.707 -6.306 1.00 0.00 N ATOM 1312 CA ILE A 93 1.052 -1.191 -5.341 1.00 0.00 C ATOM 1313 C ILE A 93 0.282 -0.026 -5.966 1.00 0.00 C ATOM 1314 O ILE A 93 0.850 1.037 -6.211 1.00 0.00 O ATOM 1315 CB ILE A 93 1.755 -0.832 -4.030 1.00 0.00 C ATOM 1316 CG1 ILE A 93 2.435 -2.058 -3.419 1.00 0.00 C ATOM 1317 CG2 ILE A 93 0.784 -0.167 -3.052 1.00 0.00 C ATOM 1318 CD1 ILE A 93 3.884 -2.176 -3.895 1.00 0.00 C ATOM 0 H ILE A 93 2.862 -1.157 -6.396 1.00 0.00 H new ATOM 0 HA ILE A 93 0.319 -1.956 -5.083 1.00 0.00 H new ATOM 0 HB ILE A 93 2.538 -0.106 -4.249 1.00 0.00 H new ATOM 0 HG12 ILE A 93 2.410 -1.988 -2.332 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.884 -2.958 -3.693 1.00 0.00 H new ATOM 0 HG21 ILE A 93 1.309 0.078 -2.129 1.00 0.00 H new ATOM 0 HG22 ILE A 93 0.387 0.745 -3.497 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -0.037 -0.850 -2.833 1.00 0.00 H new ATOM 0 HD11 ILE A 93 4.344 -3.056 -3.446 1.00 0.00 H new ATOM 0 HD12 ILE A 93 3.904 -2.271 -4.981 1.00 0.00 H new ATOM 0 HD13 ILE A 93 4.438 -1.285 -3.598 1.00 0.00 H new ATOM 1330 N VAL A 94 -0.999 -0.265 -6.205 1.00 0.00 N ATOM 1331 CA VAL A 94 -1.852 0.752 -6.796 1.00 0.00 C ATOM 1332 C VAL A 94 -2.582 1.508 -5.685 1.00 0.00 C ATOM 1333 O VAL A 94 -3.574 1.020 -5.144 1.00 0.00 O ATOM 1334 CB VAL A 94 -2.804 0.112 -7.809 1.00 0.00 C ATOM 1335 CG1 VAL A 94 -3.650 1.174 -8.513 1.00 0.00 C ATOM 1336 CG2 VAL A 94 -2.035 -0.738 -8.823 1.00 0.00 C ATOM 0 H VAL A 94 -1.467 -1.148 -6.000 1.00 0.00 H new ATOM 0 HA VAL A 94 -1.255 1.479 -7.346 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.480 -0.547 -7.264 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -4.318 0.692 -9.227 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -4.240 1.718 -7.775 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -2.996 1.870 -9.039 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -2.735 -1.181 -9.531 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -1.324 -0.110 -9.360 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -1.497 -1.529 -8.301 1.00 0.00 H new ATOM 1346 N ALA A 95 -2.064 2.688 -5.376 1.00 0.00 N ATOM 1347 CA ALA A 95 -2.654 3.517 -4.339 1.00 0.00 C ATOM 1348 C ALA A 95 -2.921 4.915 -4.900 1.00 0.00 C ATOM 1349 O ALA A 95 -2.303 5.322 -5.882 1.00 0.00 O ATOM 1350 CB ALA A 95 -1.731 3.543 -3.120 1.00 0.00 C ATOM 0 H ALA A 95 -1.242 3.090 -5.826 1.00 0.00 H new ATOM 0 HA ALA A 95 -3.610 3.105 -4.015 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.173 4.165 -2.342 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -1.598 2.529 -2.742 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -0.763 3.954 -3.406 1.00 0.00 H new ATOM 1356 N GLN A 96 -3.841 5.613 -4.250 1.00 0.00 N ATOM 1357 CA GLN A 96 -4.196 6.957 -4.671 1.00 0.00 C ATOM 1358 C GLN A 96 -3.975 7.948 -3.526 1.00 0.00 C ATOM 1359 O GLN A 96 -4.423 7.716 -2.404 1.00 0.00 O ATOM 1360 CB GLN A 96 -5.641 7.011 -5.171 1.00 0.00 C ATOM 1361 CG GLN A 96 -6.627 7.005 -4.001 1.00 0.00 C ATOM 1362 CD GLN A 96 -8.070 7.115 -4.499 1.00 0.00 C ATOM 1363 OE1 GLN A 96 -8.848 7.939 -4.049 1.00 0.00 O ATOM 1364 NE2 GLN A 96 -8.382 6.240 -5.452 1.00 0.00 N ATOM 0 H GLN A 96 -4.351 5.273 -3.435 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.548 7.240 -5.501 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.789 7.909 -5.771 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -5.837 6.158 -5.821 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -6.507 6.088 -3.424 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -6.406 7.835 -3.330 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -7.682 5.576 -5.784 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -9.321 6.233 -5.850 1.00 0.00 H new ATOM 1373 N TYR A 97 -3.285 9.032 -3.849 1.00 0.00 N ATOM 1374 CA TYR A 97 -2.999 10.059 -2.862 1.00 0.00 C ATOM 1375 C TYR A 97 -4.291 10.621 -2.265 1.00 0.00 C ATOM 1376 O TYR A 97 -4.915 11.505 -2.849 1.00 0.00 O ATOM 1377 CB TYR A 97 -2.271 11.175 -3.613 1.00 0.00 C ATOM 1378 CG TYR A 97 -1.259 11.942 -2.760 1.00 0.00 C ATOM 1379 CD1 TYR A 97 -1.480 12.106 -1.407 1.00 0.00 C ATOM 1380 CD2 TYR A 97 -0.125 12.471 -3.342 1.00 0.00 C ATOM 1381 CE1 TYR A 97 -0.529 12.828 -0.604 1.00 0.00 C ATOM 1382 CE2 TYR A 97 0.827 13.194 -2.539 1.00 0.00 C ATOM 1383 CZ TYR A 97 0.578 13.336 -1.209 1.00 0.00 C ATOM 1384 OH TYR A 97 1.477 14.019 -0.450 1.00 0.00 O ATOM 0 H TYR A 97 -2.916 9.221 -4.781 1.00 0.00 H new ATOM 0 HA TYR A 97 -2.406 9.650 -2.044 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -1.755 10.745 -4.471 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -3.008 11.877 -4.003 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -2.367 11.692 -0.951 1.00 0.00 H new ATOM 0 HD2 TYR A 97 0.049 12.343 -4.400 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -0.691 12.963 0.455 1.00 0.00 H new ATOM 0 HE2 TYR A 97 1.718 13.614 -2.982 1.00 0.00 H new ATOM 0 HH TYR A 97 2.218 14.323 -1.015 1.00 0.00 H new ATOM 1394 N ARG A 98 -4.654 10.084 -1.109 1.00 0.00 N ATOM 1395 CA ARG A 98 -5.860 10.521 -0.427 1.00 0.00 C ATOM 1396 C ARG A 98 -5.589 10.702 1.067 1.00 0.00 C ATOM 1397 O ARG A 98 -5.853 9.802 1.863 1.00 0.00 O ATOM 1398 CB ARG A 98 -6.995 9.511 -0.614 1.00 0.00 C ATOM 1399 CG ARG A 98 -8.113 10.097 -1.478 1.00 0.00 C ATOM 1400 CD ARG A 98 -8.871 11.192 -0.725 1.00 0.00 C ATOM 1401 NE ARG A 98 -9.744 11.938 -1.660 1.00 0.00 N ATOM 1402 CZ ARG A 98 -10.885 11.454 -2.169 1.00 0.00 C ATOM 1403 NH1 ARG A 98 -11.298 10.223 -1.838 1.00 0.00 N ATOM 1404 NH2 ARG A 98 -11.613 12.201 -3.010 1.00 0.00 N ATOM 0 H ARG A 98 -4.134 9.350 -0.628 1.00 0.00 H new ATOM 0 HA ARG A 98 -6.161 11.474 -0.863 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -6.607 8.605 -1.080 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -7.395 9.223 0.358 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -7.691 10.507 -2.396 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -8.804 9.306 -1.770 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -9.470 10.750 0.071 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -8.165 11.874 -0.251 1.00 0.00 H new ATOM 0 HE ARG A 98 -9.459 12.878 -1.933 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -10.744 9.654 -1.198 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -12.167 9.855 -2.226 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -11.299 13.138 -3.263 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -12.482 11.833 -3.398 1.00 0.00 H new ATOM 1418 N PRO A 99 -5.050 11.902 1.412 1.00 0.00 N ATOM 1419 CA PRO A 99 -4.740 12.213 2.798 1.00 0.00 C ATOM 1420 C PRO A 99 -6.013 12.517 3.590 1.00 0.00 C ATOM 1421 O PRO A 99 -6.056 12.321 4.803 1.00 0.00 O ATOM 1422 CB PRO A 99 -3.785 13.394 2.732 1.00 0.00 C ATOM 1423 CG PRO A 99 -3.960 13.994 1.346 1.00 0.00 C ATOM 1424 CD PRO A 99 -4.724 12.991 0.497 1.00 0.00 C ATOM 0 HA PRO A 99 -4.281 11.376 3.324 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -4.015 14.126 3.506 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -2.756 13.073 2.892 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -4.503 14.937 1.404 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -2.990 14.212 0.899 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -5.625 13.436 0.074 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -4.120 12.638 -0.339 1.00 0.00 H new ATOM 1432 N GLU A 100 -7.020 12.991 2.871 1.00 0.00 N ATOM 1433 CA GLU A 100 -8.291 13.325 3.491 1.00 0.00 C ATOM 1434 C GLU A 100 -8.836 12.122 4.264 1.00 0.00 C ATOM 1435 O GLU A 100 -9.242 12.253 5.418 1.00 0.00 O ATOM 1436 CB GLU A 100 -9.300 13.809 2.448 1.00 0.00 C ATOM 1437 CG GLU A 100 -8.869 15.149 1.848 1.00 0.00 C ATOM 1438 CD GLU A 100 -10.047 16.123 1.778 1.00 0.00 C ATOM 1439 OE1 GLU A 100 -10.924 16.017 2.662 1.00 0.00 O ATOM 1440 OE2 GLU A 100 -10.044 16.951 0.842 1.00 0.00 O ATOM 0 H GLU A 100 -6.981 13.152 1.864 1.00 0.00 H new ATOM 0 HA GLU A 100 -8.127 14.141 4.195 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -9.395 13.066 1.656 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -10.283 13.912 2.908 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -8.070 15.581 2.451 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -8.464 14.990 0.849 1.00 0.00 H new ATOM 1447 N GLU A 101 -8.827 10.977 3.597 1.00 0.00 N ATOM 1448 CA GLU A 101 -9.315 9.752 4.207 1.00 0.00 C ATOM 1449 C GLU A 101 -8.388 9.319 5.344 1.00 0.00 C ATOM 1450 O GLU A 101 -8.815 9.211 6.492 1.00 0.00 O ATOM 1451 CB GLU A 101 -9.462 8.641 3.166 1.00 0.00 C ATOM 1452 CG GLU A 101 -10.774 8.785 2.392 1.00 0.00 C ATOM 1453 CD GLU A 101 -11.833 7.817 2.923 1.00 0.00 C ATOM 1454 OE1 GLU A 101 -12.098 7.879 4.143 1.00 0.00 O ATOM 1455 OE2 GLU A 101 -12.353 7.035 2.097 1.00 0.00 O ATOM 0 H GLU A 101 -8.489 10.872 2.640 1.00 0.00 H new ATOM 0 HA GLU A 101 -10.303 9.946 4.624 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -8.621 8.674 2.473 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -9.431 7.669 3.659 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -11.138 9.809 2.474 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -10.599 8.593 1.333 1.00 0.00 H new ATOM 1462 N TYR A 102 -7.134 9.082 4.985 1.00 0.00 N ATOM 1463 CA TYR A 102 -6.142 8.663 5.960 1.00 0.00 C ATOM 1464 C TYR A 102 -6.275 9.466 7.256 1.00 0.00 C ATOM 1465 O TYR A 102 -6.052 8.937 8.344 1.00 0.00 O ATOM 1466 CB TYR A 102 -4.780 8.957 5.329 1.00 0.00 C ATOM 1467 CG TYR A 102 -3.590 8.594 6.221 1.00 0.00 C ATOM 1468 CD1 TYR A 102 -3.356 7.276 6.556 1.00 0.00 C ATOM 1469 CD2 TYR A 102 -2.752 9.585 6.689 1.00 0.00 C ATOM 1470 CE1 TYR A 102 -2.236 6.935 7.395 1.00 0.00 C ATOM 1471 CE2 TYR A 102 -1.632 9.244 7.528 1.00 0.00 C ATOM 1472 CZ TYR A 102 -1.430 7.936 7.839 1.00 0.00 C ATOM 1473 OH TYR A 102 -0.372 7.614 8.632 1.00 0.00 O ATOM 0 H TYR A 102 -6.783 9.172 4.032 1.00 0.00 H new ATOM 0 HA TYR A 102 -6.268 7.609 6.208 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -4.699 8.407 4.391 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -4.726 10.017 5.083 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -4.012 6.501 6.189 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -2.936 10.616 6.426 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -2.041 5.908 7.665 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -0.968 10.010 7.901 1.00 0.00 H new ATOM 0 HH TYR A 102 0.318 7.172 8.094 1.00 0.00 H new ATOM 1483 N SER A 103 -6.636 10.731 7.097 1.00 0.00 N ATOM 1484 CA SER A 103 -6.800 11.612 8.241 1.00 0.00 C ATOM 1485 C SER A 103 -7.680 10.940 9.297 1.00 0.00 C ATOM 1486 O SER A 103 -7.547 11.217 10.488 1.00 0.00 O ATOM 1487 CB SER A 103 -7.406 12.952 7.820 1.00 0.00 C ATOM 1488 OG SER A 103 -7.036 14.006 8.706 1.00 0.00 O ATOM 0 H SER A 103 -6.820 11.167 6.193 1.00 0.00 H new ATOM 0 HA SER A 103 -5.816 11.806 8.668 1.00 0.00 H new ATOM 0 HB2 SER A 103 -7.079 13.196 6.809 1.00 0.00 H new ATOM 0 HB3 SER A 103 -8.492 12.866 7.792 1.00 0.00 H new ATOM 0 HG SER A 103 -7.441 14.845 8.403 1.00 0.00 H new ATOM 1494 N ARG A 104 -8.559 10.069 8.822 1.00 0.00 N ATOM 1495 CA ARG A 104 -9.460 9.356 9.711 1.00 0.00 C ATOM 1496 C ARG A 104 -8.667 8.453 10.658 1.00 0.00 C ATOM 1497 O ARG A 104 -9.102 8.186 11.777 1.00 0.00 O ATOM 1498 CB ARG A 104 -10.454 8.504 8.919 1.00 0.00 C ATOM 1499 CG ARG A 104 -9.750 7.328 8.239 1.00 0.00 C ATOM 1500 CD ARG A 104 -10.294 7.106 6.826 1.00 0.00 C ATOM 1501 NE ARG A 104 -11.174 5.916 6.805 1.00 0.00 N ATOM 1502 CZ ARG A 104 -12.434 5.905 7.259 1.00 0.00 C ATOM 1503 NH1 ARG A 104 -12.971 7.020 7.773 1.00 0.00 N ATOM 1504 NH2 ARG A 104 -13.158 4.779 7.200 1.00 0.00 N ATOM 0 H ARG A 104 -8.666 9.841 7.834 1.00 0.00 H new ATOM 0 HA ARG A 104 -10.012 10.098 10.288 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -11.231 8.131 9.586 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -10.948 9.120 8.168 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -8.678 7.518 8.194 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -9.889 6.424 8.832 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -10.849 7.985 6.499 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -9.469 6.971 6.127 1.00 0.00 H new ATOM 0 HE ARG A 104 -10.797 5.050 6.421 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -12.420 7.877 7.819 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -13.931 7.011 8.119 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -12.750 3.930 6.809 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -14.118 4.771 7.546 1.00 0.00 H new ATOM 1518 N PHE A 105 -7.516 8.007 10.174 1.00 0.00 N ATOM 1519 CA PHE A 105 -6.659 7.139 10.963 1.00 0.00 C ATOM 1520 C PHE A 105 -5.721 7.958 11.853 1.00 0.00 C ATOM 1521 O PHE A 105 -5.529 7.633 13.024 1.00 0.00 O ATOM 1522 CB PHE A 105 -5.822 6.321 9.978 1.00 0.00 C ATOM 1523 CG PHE A 105 -6.555 5.111 9.395 1.00 0.00 C ATOM 1524 CD1 PHE A 105 -6.628 3.953 10.106 1.00 0.00 C ATOM 1525 CD2 PHE A 105 -7.132 5.192 8.167 1.00 0.00 C ATOM 1526 CE1 PHE A 105 -7.307 2.830 9.565 1.00 0.00 C ATOM 1527 CE2 PHE A 105 -7.812 4.069 7.626 1.00 0.00 C ATOM 1528 CZ PHE A 105 -7.885 2.911 8.337 1.00 0.00 C ATOM 0 H PHE A 105 -7.158 8.231 9.246 1.00 0.00 H new ATOM 0 HA PHE A 105 -7.266 6.503 11.607 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -5.504 6.969 9.161 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -4.919 5.978 10.482 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -6.169 3.888 11.082 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -7.073 6.111 7.603 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -7.365 1.911 10.129 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -8.271 4.134 6.651 1.00 0.00 H new ATOM 0 HZ PHE A 105 -8.402 2.056 7.926 1.00 0.00 H new