USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 610 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 63 ASN : amide:sc= -0.903 K(o=0.29,f=-1.7!) USER MOD Set 1.2: A 89 THR OG1 : rot 72:sc= 1.2 USER MOD Set 2.1: A 14 SER OG : rot 180:sc= 0.0568 USER MOD Set 2.2: A 15 ASN : amide:sc= -0.0282 X(o=0.029,f=0.057) USER MOD Single : A 16 GLN : amide:sc= -7.52! C(o=-7.5!,f=-12!) USER MOD Single : A 19 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 22 THR OG1 : rot 97:sc= 0.874 USER MOD Single : A 36 SER OG : rot 20:sc= 0.19 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -0.0743 K(o=-0.074,f=-1.4) USER MOD Single : A 44 TYR OH : rot 159:sc= 0.824 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.284 K(o=-0.28,f=-0.92) USER MOD Single : A 51 LYS NZ :NH3+ -115:sc= -0.179 (180deg=-1.39) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0.00272 USER MOD Single : A 60 SER OG : rot 90:sc= 0.485 USER MOD Single : A 62 MET CE :methyl -153:sc= -0.819 (180deg=-1.96!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -0.465 X(o=-0.47,f=-0.028) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot -145:sc= 0.379 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.438 K(o=-0.44,f=-4.2!) USER MOD Single : A 82 SER OG : rot -51:sc= 0.868 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 171:sc= -0.578 (180deg=-0.676) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot -89:sc= 1.33 USER MOD ----------------------------------------------------------------- ATOM 194 N ARG A 13 9.826 -4.854 8.743 1.00 51.45 N ATOM 195 CA ARG A 13 8.649 -3.999 8.647 1.00 72.01 C ATOM 196 C ARG A 13 8.547 -3.367 7.262 1.00 73.50 C ATOM 197 O ARG A 13 7.453 -3.073 6.783 1.00 75.44 O ATOM 198 CB ARG A 13 8.697 -2.906 9.716 1.00 45.42 C ATOM 199 CG ARG A 13 8.407 -3.413 11.119 1.00 22.42 C ATOM 200 CD ARG A 13 6.940 -3.774 11.289 1.00 34.32 C ATOM 201 NE ARG A 13 6.582 -3.968 12.691 1.00 4.41 N ATOM 202 CZ ARG A 13 6.941 -5.032 13.402 1.00 43.45 C ATOM 203 NH1 ARG A 13 7.665 -5.992 12.842 1.00 2.02 N ATOM 204 NH2 ARG A 13 6.578 -5.136 14.673 1.00 52.11 N ATOM 0 HA ARG A 13 7.767 -4.619 8.810 1.00 72.01 H new ATOM 0 HB2 ARG A 13 9.683 -2.441 9.704 1.00 45.42 H new ATOM 0 HB3 ARG A 13 7.975 -2.130 9.463 1.00 45.42 H new ATOM 0 HG2 ARG A 13 9.024 -4.287 11.326 1.00 22.42 H new ATOM 0 HG3 ARG A 13 8.682 -2.650 11.847 1.00 22.42 H new ATOM 0 HD2 ARG A 13 6.321 -2.984 10.863 1.00 34.32 H new ATOM 0 HD3 ARG A 13 6.724 -4.685 10.731 1.00 34.32 H new ATOM 0 HE ARG A 13 6.026 -3.247 13.150 1.00 4.41 H new ATOM 0 HH11 ARG A 13 7.947 -5.914 11.865 1.00 2.02 H new ATOM 0 HH12 ARG A 13 7.940 -6.808 13.389 1.00 2.02 H new ATOM 0 HH21 ARG A 13 6.022 -4.399 15.107 1.00 52.11 H new ATOM 0 HH22 ARG A 13 6.854 -5.953 15.217 1.00 52.11 H new ATOM 218 N SER A 14 9.695 -3.161 6.625 1.00 63.32 N ATOM 219 CA SER A 14 9.735 -2.560 5.298 1.00 52.55 C ATOM 220 C SER A 14 9.109 -3.488 4.262 1.00 71.44 C ATOM 221 O SER A 14 8.285 -3.066 3.451 1.00 31.33 O ATOM 222 CB SER A 14 11.178 -2.238 4.904 1.00 23.12 C ATOM 223 OG SER A 14 12.076 -3.209 5.416 1.00 33.25 O ATOM 0 H SER A 14 10.610 -3.402 7.007 1.00 63.32 H new ATOM 0 HA SER A 14 9.159 -1.635 5.328 1.00 52.55 H new ATOM 0 HB2 SER A 14 11.261 -2.198 3.818 1.00 23.12 H new ATOM 0 HB3 SER A 14 11.450 -1.252 5.281 1.00 23.12 H new ATOM 0 HG SER A 14 12.991 -2.981 5.149 1.00 33.25 H new ATOM 229 N ASN A 15 9.506 -4.756 4.295 1.00 60.21 N ATOM 230 CA ASN A 15 8.984 -5.745 3.359 1.00 25.44 C ATOM 231 C ASN A 15 7.521 -6.058 3.657 1.00 24.01 C ATOM 232 O ASN A 15 6.788 -6.532 2.789 1.00 42.21 O ATOM 233 CB ASN A 15 9.815 -7.028 3.426 1.00 44.12 C ATOM 234 CG ASN A 15 11.012 -6.991 2.496 1.00 52.40 C ATOM 235 OD1 ASN A 15 11.125 -7.803 1.578 1.00 54.12 O ATOM 236 ND2 ASN A 15 11.914 -6.044 2.731 1.00 71.43 N ATOM 0 H ASN A 15 10.187 -5.123 4.960 1.00 60.21 H new ATOM 0 HA ASN A 15 9.050 -5.328 2.354 1.00 25.44 H new ATOM 0 HB2 ASN A 15 10.158 -7.182 4.449 1.00 44.12 H new ATOM 0 HB3 ASN A 15 9.185 -7.880 3.169 1.00 44.12 H new ATOM 0 HD21 ASN A 15 12.741 -5.969 2.139 1.00 71.43 H new ATOM 0 HD22 ASN A 15 11.779 -5.392 3.504 1.00 71.43 H new ATOM 243 N GLN A 16 7.103 -5.787 4.890 1.00 63.54 N ATOM 244 CA GLN A 16 5.728 -6.040 5.302 1.00 60.41 C ATOM 245 C GLN A 16 4.748 -5.257 4.435 1.00 14.14 C ATOM 246 O GLN A 16 3.831 -5.829 3.845 1.00 10.44 O ATOM 247 CB GLN A 16 5.537 -5.667 6.774 1.00 51.34 C ATOM 248 CG GLN A 16 4.601 -6.603 7.521 1.00 2.22 C ATOM 249 CD GLN A 16 3.175 -6.092 7.563 1.00 71.33 C ATOM 250 OE1 GLN A 16 2.926 -4.937 7.910 1.00 3.54 O ATOM 251 NE2 GLN A 16 2.227 -6.951 7.207 1.00 43.24 N ATOM 0 H GLN A 16 7.697 -5.393 5.620 1.00 63.54 H new ATOM 0 HA GLN A 16 5.527 -7.104 5.176 1.00 60.41 H new ATOM 0 HB2 GLN A 16 6.508 -5.666 7.269 1.00 51.34 H new ATOM 0 HB3 GLN A 16 5.147 -4.651 6.835 1.00 51.34 H new ATOM 0 HG2 GLN A 16 4.618 -7.583 7.045 1.00 2.22 H new ATOM 0 HG3 GLN A 16 4.965 -6.737 8.540 1.00 2.22 H new ATOM 0 HE21 GLN A 16 2.477 -7.899 6.926 1.00 43.24 H new ATOM 0 HE22 GLN A 16 1.249 -6.663 7.214 1.00 43.24 H new ATOM 260 N ALA A 17 4.946 -3.944 4.365 1.00 34.11 N ATOM 261 CA ALA A 17 4.080 -3.082 3.569 1.00 62.12 C ATOM 262 C ALA A 17 3.958 -3.596 2.139 1.00 23.21 C ATOM 263 O ALA A 17 2.853 -3.771 1.625 1.00 44.21 O ATOM 264 CB ALA A 17 4.607 -1.655 3.576 1.00 70.11 C ATOM 0 H ALA A 17 5.698 -3.454 4.850 1.00 34.11 H new ATOM 0 HA ALA A 17 3.086 -3.093 4.017 1.00 62.12 H new ATOM 0 HB1 ALA A 17 3.951 -1.022 2.978 1.00 70.11 H new ATOM 0 HB2 ALA A 17 4.636 -1.283 4.600 1.00 70.11 H new ATOM 0 HB3 ALA A 17 5.612 -1.636 3.155 1.00 70.11 H new ATOM 270 N GLU A 18 5.100 -3.837 1.501 1.00 10.21 N ATOM 271 CA GLU A 18 5.119 -4.330 0.130 1.00 55.30 C ATOM 272 C GLU A 18 4.266 -5.588 -0.009 1.00 21.23 C ATOM 273 O GLU A 18 3.540 -5.753 -0.987 1.00 62.44 O ATOM 274 CB GLU A 18 6.554 -4.623 -0.311 1.00 24.20 C ATOM 275 CG GLU A 18 6.678 -4.991 -1.780 1.00 74.14 C ATOM 276 CD GLU A 18 7.856 -5.906 -2.055 1.00 74.02 C ATOM 277 OE1 GLU A 18 9.000 -5.406 -2.088 1.00 62.01 O ATOM 278 OE2 GLU A 18 7.632 -7.121 -2.239 1.00 2.34 O ATOM 0 H GLU A 18 6.023 -3.699 1.912 1.00 10.21 H new ATOM 0 HA GLU A 18 4.700 -3.555 -0.512 1.00 55.30 H new ATOM 0 HB2 GLU A 18 7.172 -3.748 -0.111 1.00 24.20 H new ATOM 0 HB3 GLU A 18 6.951 -5.438 0.294 1.00 24.20 H new ATOM 0 HG2 GLU A 18 5.760 -5.479 -2.107 1.00 74.14 H new ATOM 0 HG3 GLU A 18 6.784 -4.081 -2.371 1.00 74.14 H new ATOM 285 N ASN A 19 4.362 -6.471 0.979 1.00 72.41 N ATOM 286 CA ASN A 19 3.600 -7.716 0.969 1.00 43.35 C ATOM 287 C ASN A 19 2.104 -7.438 1.068 1.00 22.45 C ATOM 288 O ASN A 19 1.301 -8.050 0.364 1.00 52.24 O ATOM 289 CB ASN A 19 4.042 -8.618 2.122 1.00 2.32 C ATOM 290 CG ASN A 19 3.266 -9.921 2.167 1.00 4.32 C ATOM 291 OD1 ASN A 19 2.798 -10.413 1.140 1.00 0.22 O ATOM 292 ND2 ASN A 19 3.126 -10.485 3.361 1.00 2.45 N ATOM 0 H ASN A 19 4.959 -6.349 1.797 1.00 72.41 H new ATOM 0 HA ASN A 19 3.794 -8.225 0.025 1.00 43.35 H new ATOM 0 HB2 ASN A 19 5.106 -8.835 2.023 1.00 2.32 H new ATOM 0 HB3 ASN A 19 3.911 -8.088 3.065 1.00 2.32 H new ATOM 0 HD21 ASN A 19 2.613 -11.362 3.454 1.00 2.45 H new ATOM 0 HD22 ASN A 19 3.531 -10.041 4.185 1.00 2.45 H new ATOM 299 N ILE A 20 1.737 -6.513 1.949 1.00 44.12 N ATOM 300 CA ILE A 20 0.337 -6.153 2.140 1.00 41.23 C ATOM 301 C ILE A 20 -0.276 -5.622 0.848 1.00 45.41 C ATOM 302 O ILE A 20 -1.204 -6.215 0.299 1.00 22.14 O ATOM 303 CB ILE A 20 0.174 -5.095 3.246 1.00 1.14 C ATOM 304 CG1 ILE A 20 0.731 -5.619 4.571 1.00 64.12 C ATOM 305 CG2 ILE A 20 -1.289 -4.708 3.398 1.00 75.24 C ATOM 306 CD1 ILE A 20 1.201 -4.525 5.504 1.00 64.32 C ATOM 0 H ILE A 20 2.389 -5.999 2.542 1.00 44.12 H new ATOM 0 HA ILE A 20 -0.185 -7.062 2.439 1.00 41.23 H new ATOM 0 HB ILE A 20 0.738 -4.206 2.962 1.00 1.14 H new ATOM 0 HG12 ILE A 20 -0.038 -6.207 5.072 1.00 64.12 H new ATOM 0 HG13 ILE A 20 1.563 -6.292 4.365 1.00 64.12 H new ATOM 0 HG21 ILE A 20 -1.388 -3.959 4.184 1.00 75.24 H new ATOM 0 HG22 ILE A 20 -1.656 -4.297 2.457 1.00 75.24 H new ATOM 0 HG23 ILE A 20 -1.873 -5.590 3.662 1.00 75.24 H new ATOM 0 HD11 ILE A 20 1.583 -4.970 6.423 1.00 64.32 H new ATOM 0 HD12 ILE A 20 1.993 -3.951 5.022 1.00 64.32 H new ATOM 0 HD13 ILE A 20 0.366 -3.865 5.740 1.00 64.32 H new ATOM 318 N ILE A 21 0.253 -4.501 0.367 1.00 32.54 N ATOM 319 CA ILE A 21 -0.240 -3.891 -0.861 1.00 11.34 C ATOM 320 C ILE A 21 -0.321 -4.914 -1.989 1.00 31.45 C ATOM 321 O ILE A 21 -1.357 -5.060 -2.638 1.00 35.21 O ATOM 322 CB ILE A 21 0.657 -2.721 -1.308 1.00 72.41 C ATOM 323 CG1 ILE A 21 0.726 -1.655 -0.212 1.00 64.12 C ATOM 324 CG2 ILE A 21 0.137 -2.121 -2.606 1.00 12.15 C ATOM 325 CD1 ILE A 21 1.746 -0.573 -0.486 1.00 3.44 C ATOM 0 H ILE A 21 1.022 -3.998 0.809 1.00 32.54 H new ATOM 0 HA ILE A 21 -1.239 -3.511 -0.646 1.00 11.34 H new ATOM 0 HB ILE A 21 1.664 -3.101 -1.483 1.00 72.41 H new ATOM 0 HG12 ILE A 21 -0.257 -1.197 -0.100 1.00 64.12 H new ATOM 0 HG13 ILE A 21 0.964 -2.136 0.737 1.00 64.12 H new ATOM 0 HG21 ILE A 21 0.781 -1.296 -2.909 1.00 12.15 H new ATOM 0 HG22 ILE A 21 0.135 -2.884 -3.384 1.00 12.15 H new ATOM 0 HG23 ILE A 21 -0.878 -1.753 -2.456 1.00 12.15 H new ATOM 0 HD11 ILE A 21 1.740 0.148 0.332 1.00 3.44 H new ATOM 0 HD12 ILE A 21 2.737 -1.020 -0.569 1.00 3.44 H new ATOM 0 HD13 ILE A 21 1.497 -0.066 -1.418 1.00 3.44 H new ATOM 337 N THR A 22 0.780 -5.624 -2.216 1.00 42.34 N ATOM 338 CA THR A 22 0.834 -6.635 -3.265 1.00 54.44 C ATOM 339 C THR A 22 -0.261 -7.679 -3.080 1.00 45.42 C ATOM 340 O THR A 22 -0.807 -8.199 -4.052 1.00 41.04 O ATOM 341 CB THR A 22 2.203 -7.342 -3.293 1.00 73.15 C ATOM 342 OG1 THR A 22 3.243 -6.386 -3.527 1.00 2.04 O ATOM 343 CG2 THR A 22 2.237 -8.411 -4.376 1.00 14.52 C ATOM 0 H THR A 22 1.646 -5.518 -1.688 1.00 42.34 H new ATOM 0 HA THR A 22 0.681 -6.117 -4.212 1.00 54.44 H new ATOM 0 HB THR A 22 2.361 -7.820 -2.326 1.00 73.15 H new ATOM 0 HG1 THR A 22 3.636 -6.114 -2.671 1.00 2.04 H new ATOM 0 HG21 THR A 22 3.213 -8.897 -4.377 1.00 14.52 H new ATOM 0 HG22 THR A 22 1.463 -9.153 -4.180 1.00 14.52 H new ATOM 0 HG23 THR A 22 2.060 -7.950 -5.348 1.00 14.52 H new ATOM 351 N ASP A 23 -0.578 -7.980 -1.825 1.00 64.12 N ATOM 352 CA ASP A 23 -1.610 -8.962 -1.512 1.00 2.32 C ATOM 353 C ASP A 23 -2.945 -8.564 -2.134 1.00 2.24 C ATOM 354 O ASP A 23 -3.496 -9.287 -2.965 1.00 41.41 O ATOM 355 CB ASP A 23 -1.761 -9.109 0.002 1.00 20.20 C ATOM 356 CG ASP A 23 -2.490 -10.381 0.391 1.00 40.51 C ATOM 357 OD1 ASP A 23 -2.827 -11.170 -0.515 1.00 73.31 O ATOM 358 OD2 ASP A 23 -2.723 -10.585 1.600 1.00 24.34 O ATOM 0 H ASP A 23 -0.135 -7.558 -1.009 1.00 64.12 H new ATOM 0 HA ASP A 23 -1.306 -9.920 -1.933 1.00 2.32 H new ATOM 0 HB2 ASP A 23 -0.774 -9.103 0.465 1.00 20.20 H new ATOM 0 HB3 ASP A 23 -2.302 -8.249 0.395 1.00 20.20 H new ATOM 363 N LEU A 24 -3.460 -7.410 -1.724 1.00 34.12 N ATOM 364 CA LEU A 24 -4.732 -6.915 -2.239 1.00 54.12 C ATOM 365 C LEU A 24 -4.761 -6.971 -3.763 1.00 31.21 C ATOM 366 O LEU A 24 -5.771 -7.346 -4.363 1.00 1.52 O ATOM 367 CB LEU A 24 -4.974 -5.481 -1.765 1.00 40.42 C ATOM 368 CG LEU A 24 -5.109 -5.286 -0.255 1.00 73.44 C ATOM 369 CD1 LEU A 24 -5.418 -3.834 0.071 1.00 11.50 C ATOM 370 CD2 LEU A 24 -6.188 -6.202 0.306 1.00 40.44 C ATOM 0 H LEU A 24 -3.017 -6.800 -1.037 1.00 34.12 H new ATOM 0 HA LEU A 24 -5.525 -7.556 -1.855 1.00 54.12 H new ATOM 0 HB2 LEU A 24 -4.152 -4.859 -2.119 1.00 40.42 H new ATOM 0 HB3 LEU A 24 -5.882 -5.111 -2.241 1.00 40.42 H new ATOM 0 HG LEU A 24 -4.159 -5.547 0.212 1.00 73.44 H new ATOM 0 HD11 LEU A 24 -5.510 -3.715 1.151 1.00 11.50 H new ATOM 0 HD12 LEU A 24 -4.612 -3.199 -0.296 1.00 11.50 H new ATOM 0 HD13 LEU A 24 -6.354 -3.545 -0.407 1.00 11.50 H new ATOM 0 HD21 LEU A 24 -6.271 -6.050 1.382 1.00 40.44 H new ATOM 0 HD22 LEU A 24 -7.143 -5.972 -0.167 1.00 40.44 H new ATOM 0 HD23 LEU A 24 -5.924 -7.240 0.105 1.00 40.44 H new ATOM 382 N LEU A 25 -3.648 -6.598 -4.385 1.00 63.35 N ATOM 383 CA LEU A 25 -3.544 -6.609 -5.840 1.00 31.11 C ATOM 384 C LEU A 25 -3.882 -7.987 -6.401 1.00 2.14 C ATOM 385 O LEU A 25 -4.519 -8.103 -7.447 1.00 54.31 O ATOM 386 CB LEU A 25 -2.135 -6.199 -6.273 1.00 63.53 C ATOM 387 CG LEU A 25 -1.968 -4.750 -6.730 1.00 64.22 C ATOM 388 CD1 LEU A 25 -2.705 -4.514 -8.039 1.00 12.13 C ATOM 389 CD2 LEU A 25 -2.462 -3.792 -5.656 1.00 74.24 C ATOM 0 H LEU A 25 -2.805 -6.284 -3.904 1.00 63.35 H new ATOM 0 HA LEU A 25 -4.262 -5.891 -6.236 1.00 31.11 H new ATOM 0 HB2 LEU A 25 -1.455 -6.377 -5.440 1.00 63.53 H new ATOM 0 HB3 LEU A 25 -1.822 -6.854 -7.086 1.00 63.53 H new ATOM 0 HG LEU A 25 -0.907 -4.562 -6.896 1.00 64.22 H new ATOM 0 HD11 LEU A 25 -2.574 -3.477 -8.348 1.00 12.13 H new ATOM 0 HD12 LEU A 25 -2.303 -5.175 -8.807 1.00 12.13 H new ATOM 0 HD13 LEU A 25 -3.766 -4.721 -7.901 1.00 12.13 H new ATOM 0 HD21 LEU A 25 -2.335 -2.765 -5.998 1.00 74.24 H new ATOM 0 HD22 LEU A 25 -3.517 -3.981 -5.457 1.00 74.24 H new ATOM 0 HD23 LEU A 25 -1.888 -3.943 -4.742 1.00 74.24 H new ATOM 401 N ASP A 26 -3.452 -9.027 -5.697 1.00 4.14 N ATOM 402 CA ASP A 26 -3.710 -10.398 -6.121 1.00 74.13 C ATOM 403 C ASP A 26 -5.210 -10.680 -6.167 1.00 2.54 C ATOM 404 O ASP A 26 -5.753 -11.040 -7.210 1.00 63.42 O ATOM 405 CB ASP A 26 -3.022 -11.386 -5.179 1.00 62.42 C ATOM 406 CG ASP A 26 -2.755 -12.726 -5.838 1.00 13.35 C ATOM 407 OD1 ASP A 26 -3.024 -12.852 -7.051 1.00 64.33 O ATOM 408 OD2 ASP A 26 -2.279 -13.646 -5.142 1.00 4.24 O ATOM 0 H ASP A 26 -2.922 -8.947 -4.829 1.00 4.14 H new ATOM 0 HA ASP A 26 -3.303 -10.523 -7.125 1.00 74.13 H new ATOM 0 HB2 ASP A 26 -2.080 -10.959 -4.835 1.00 62.42 H new ATOM 0 HB3 ASP A 26 -3.645 -11.536 -4.297 1.00 62.42 H new ATOM 413 N ASP A 27 -5.871 -10.512 -5.027 1.00 31.24 N ATOM 414 CA ASP A 27 -7.308 -10.748 -4.936 1.00 4.43 C ATOM 415 C ASP A 27 -8.072 -9.815 -5.870 1.00 64.51 C ATOM 416 O ASP A 27 -9.121 -10.178 -6.405 1.00 2.34 O ATOM 417 CB ASP A 27 -7.788 -10.553 -3.496 1.00 2.21 C ATOM 418 CG ASP A 27 -7.424 -11.721 -2.602 1.00 3.01 C ATOM 419 OD1 ASP A 27 -8.104 -12.766 -2.682 1.00 52.12 O ATOM 420 OD2 ASP A 27 -6.458 -11.592 -1.821 1.00 43.53 O ATOM 0 H ASP A 27 -5.436 -10.214 -4.154 1.00 31.24 H new ATOM 0 HA ASP A 27 -7.502 -11.777 -5.240 1.00 4.43 H new ATOM 0 HB2 ASP A 27 -7.352 -9.640 -3.091 1.00 2.21 H new ATOM 0 HB3 ASP A 27 -8.870 -10.419 -3.492 1.00 2.21 H new ATOM 425 N LEU A 28 -7.540 -8.612 -6.061 1.00 33.40 N ATOM 426 CA LEU A 28 -8.173 -7.627 -6.931 1.00 13.30 C ATOM 427 C LEU A 28 -8.082 -8.052 -8.393 1.00 21.54 C ATOM 428 O LEU A 28 -8.853 -7.589 -9.235 1.00 24.22 O ATOM 429 CB LEU A 28 -7.517 -6.258 -6.745 1.00 2.33 C ATOM 430 CG LEU A 28 -8.265 -5.271 -5.846 1.00 64.33 C ATOM 431 CD1 LEU A 28 -7.468 -3.986 -5.685 1.00 1.12 C ATOM 432 CD2 LEU A 28 -9.647 -4.977 -6.410 1.00 64.33 C ATOM 0 H LEU A 28 -6.673 -8.296 -5.626 1.00 33.40 H new ATOM 0 HA LEU A 28 -9.226 -7.560 -6.657 1.00 13.30 H new ATOM 0 HB2 LEU A 28 -6.519 -6.409 -6.334 1.00 2.33 H new ATOM 0 HB3 LEU A 28 -7.392 -5.801 -7.727 1.00 2.33 H new ATOM 0 HG LEU A 28 -8.386 -5.725 -4.862 1.00 64.33 H new ATOM 0 HD11 LEU A 28 -8.016 -3.296 -5.043 1.00 1.12 H new ATOM 0 HD12 LEU A 28 -6.501 -4.211 -5.235 1.00 1.12 H new ATOM 0 HD13 LEU A 28 -7.315 -3.528 -6.662 1.00 1.12 H new ATOM 0 HD21 LEU A 28 -10.164 -4.273 -5.758 1.00 64.33 H new ATOM 0 HD22 LEU A 28 -9.549 -4.544 -7.406 1.00 64.33 H new ATOM 0 HD23 LEU A 28 -10.219 -5.903 -6.472 1.00 64.33 H new ATOM 552 N SER A 36 -9.389 1.744 -11.038 1.00 61.24 N ATOM 553 CA SER A 36 -8.444 2.847 -11.181 1.00 32.52 C ATOM 554 C SER A 36 -7.766 3.156 -9.850 1.00 54.41 C ATOM 555 O SER A 36 -6.639 3.652 -9.815 1.00 50.11 O ATOM 556 CB SER A 36 -9.160 4.094 -11.705 1.00 24.43 C ATOM 557 OG SER A 36 -9.952 3.789 -12.839 1.00 51.21 O ATOM 0 HA SER A 36 -7.679 2.549 -11.898 1.00 32.52 H new ATOM 0 HB2 SER A 36 -9.790 4.512 -10.920 1.00 24.43 H new ATOM 0 HB3 SER A 36 -8.426 4.856 -11.965 1.00 24.43 H new ATOM 0 HG SER A 36 -10.132 2.826 -12.863 1.00 51.21 H new ATOM 563 N LEU A 37 -8.460 2.861 -8.757 1.00 52.31 N ATOM 564 CA LEU A 37 -7.927 3.108 -7.422 1.00 62.20 C ATOM 565 C LEU A 37 -6.607 2.370 -7.219 1.00 20.23 C ATOM 566 O LEU A 37 -5.707 2.861 -6.538 1.00 4.21 O ATOM 567 CB LEU A 37 -8.937 2.672 -6.359 1.00 0.43 C ATOM 568 CG LEU A 37 -9.006 3.541 -5.102 1.00 52.24 C ATOM 569 CD1 LEU A 37 -7.616 3.752 -4.522 1.00 15.03 C ATOM 570 CD2 LEU A 37 -9.665 4.878 -5.414 1.00 64.25 C ATOM 0 H LEU A 37 -9.394 2.450 -8.769 1.00 52.31 H new ATOM 0 HA LEU A 37 -7.744 4.178 -7.322 1.00 62.20 H new ATOM 0 HB2 LEU A 37 -9.927 2.648 -6.815 1.00 0.43 H new ATOM 0 HB3 LEU A 37 -8.700 1.651 -6.058 1.00 0.43 H new ATOM 0 HG LEU A 37 -9.613 3.024 -4.358 1.00 52.24 H new ATOM 0 HD11 LEU A 37 -7.685 4.372 -3.628 1.00 15.03 H new ATOM 0 HD12 LEU A 37 -7.180 2.787 -4.261 1.00 15.03 H new ATOM 0 HD13 LEU A 37 -6.985 4.248 -5.260 1.00 15.03 H new ATOM 0 HD21 LEU A 37 -9.706 5.484 -4.509 1.00 64.25 H new ATOM 0 HD22 LEU A 37 -9.085 5.401 -6.174 1.00 64.25 H new ATOM 0 HD23 LEU A 37 -10.677 4.708 -5.783 1.00 64.25 H new ATOM 582 N LYS A 38 -6.498 1.188 -7.815 1.00 31.45 N ATOM 583 CA LYS A 38 -5.288 0.382 -7.703 1.00 20.31 C ATOM 584 C LYS A 38 -4.052 1.207 -8.046 1.00 23.31 C ATOM 585 O LYS A 38 -2.954 0.932 -7.560 1.00 50.31 O ATOM 586 CB LYS A 38 -5.374 -0.836 -8.626 1.00 5.34 C ATOM 587 CG LYS A 38 -6.160 -1.992 -8.034 1.00 64.41 C ATOM 588 CD LYS A 38 -6.954 -2.731 -9.100 1.00 11.35 C ATOM 589 CE LYS A 38 -6.038 -3.395 -10.116 1.00 71.31 C ATOM 590 NZ LYS A 38 -6.438 -3.077 -11.514 1.00 54.02 N ATOM 0 H LYS A 38 -7.234 0.766 -8.381 1.00 31.45 H new ATOM 0 HA LYS A 38 -5.202 0.042 -6.671 1.00 20.31 H new ATOM 0 HB2 LYS A 38 -5.837 -0.537 -9.567 1.00 5.34 H new ATOM 0 HB3 LYS A 38 -4.365 -1.176 -8.861 1.00 5.34 H new ATOM 0 HG2 LYS A 38 -5.476 -2.684 -7.543 1.00 64.41 H new ATOM 0 HG3 LYS A 38 -6.839 -1.617 -7.268 1.00 64.41 H new ATOM 0 HD2 LYS A 38 -7.584 -3.485 -8.629 1.00 11.35 H new ATOM 0 HD3 LYS A 38 -7.619 -2.033 -9.609 1.00 11.35 H new ATOM 0 HE2 LYS A 38 -5.012 -3.068 -9.948 1.00 71.31 H new ATOM 0 HE3 LYS A 38 -6.056 -4.475 -9.970 1.00 71.31 H new ATOM 0 HZ1 LYS A 38 -5.789 -3.548 -12.176 1.00 54.02 H new ATOM 0 HZ2 LYS A 38 -7.408 -3.412 -11.682 1.00 54.02 H new ATOM 0 HZ3 LYS A 38 -6.396 -2.048 -11.662 1.00 54.02 H new ATOM 604 N LYS A 39 -4.237 2.221 -8.885 1.00 71.41 N ATOM 605 CA LYS A 39 -3.138 3.088 -9.291 1.00 53.42 C ATOM 606 C LYS A 39 -2.396 3.634 -8.075 1.00 52.34 C ATOM 607 O LYS A 39 -1.177 3.800 -8.103 1.00 3.44 O ATOM 608 CB LYS A 39 -3.664 4.246 -10.144 1.00 64.00 C ATOM 609 CG LYS A 39 -4.278 5.371 -9.329 1.00 21.12 C ATOM 610 CD LYS A 39 -4.773 6.498 -10.219 1.00 3.44 C ATOM 611 CE LYS A 39 -6.286 6.468 -10.368 1.00 70.23 C ATOM 612 NZ LYS A 39 -6.820 7.765 -10.868 1.00 20.14 N ATOM 0 H LYS A 39 -5.138 2.462 -9.297 1.00 71.41 H new ATOM 0 HA LYS A 39 -2.440 2.495 -9.883 1.00 53.42 H new ATOM 0 HB2 LYS A 39 -2.846 4.647 -10.742 1.00 64.00 H new ATOM 0 HB3 LYS A 39 -4.410 3.864 -10.840 1.00 64.00 H new ATOM 0 HG2 LYS A 39 -5.107 4.982 -8.737 1.00 21.12 H new ATOM 0 HG3 LYS A 39 -3.539 5.758 -8.627 1.00 21.12 H new ATOM 0 HD2 LYS A 39 -4.467 7.456 -9.799 1.00 3.44 H new ATOM 0 HD3 LYS A 39 -4.308 6.418 -11.202 1.00 3.44 H new ATOM 0 HE2 LYS A 39 -6.567 5.670 -11.055 1.00 70.23 H new ATOM 0 HE3 LYS A 39 -6.741 6.235 -9.405 1.00 70.23 H new ATOM 0 HZ1 LYS A 39 -7.854 7.704 -10.956 1.00 20.14 H new ATOM 0 HZ2 LYS A 39 -6.574 8.523 -10.200 1.00 20.14 H new ATOM 0 HZ3 LYS A 39 -6.405 7.976 -11.798 1.00 20.14 H new ATOM 626 N VAL A 40 -3.140 3.908 -7.009 1.00 14.13 N ATOM 627 CA VAL A 40 -2.553 4.433 -5.781 1.00 64.34 C ATOM 628 C VAL A 40 -1.674 3.388 -5.103 1.00 40.11 C ATOM 629 O VAL A 40 -0.503 3.639 -4.814 1.00 62.13 O ATOM 630 CB VAL A 40 -3.639 4.894 -4.792 1.00 61.41 C ATOM 631 CG1 VAL A 40 -3.102 4.888 -3.369 1.00 13.34 C ATOM 632 CG2 VAL A 40 -4.153 6.274 -5.171 1.00 15.12 C ATOM 0 H VAL A 40 -4.151 3.775 -6.970 1.00 14.13 H new ATOM 0 HA VAL A 40 -1.942 5.291 -6.063 1.00 64.34 H new ATOM 0 HB VAL A 40 -4.473 4.194 -4.843 1.00 61.41 H new ATOM 0 HG11 VAL A 40 -3.883 5.217 -2.684 1.00 13.34 H new ATOM 0 HG12 VAL A 40 -2.787 3.879 -3.103 1.00 13.34 H new ATOM 0 HG13 VAL A 40 -2.250 5.564 -3.299 1.00 13.34 H new ATOM 0 HG21 VAL A 40 -4.920 6.584 -4.461 1.00 15.12 H new ATOM 0 HG22 VAL A 40 -3.329 6.988 -5.150 1.00 15.12 H new ATOM 0 HG23 VAL A 40 -4.579 6.241 -6.174 1.00 15.12 H new ATOM 642 N LEU A 41 -2.245 2.216 -4.852 1.00 23.32 N ATOM 643 CA LEU A 41 -1.513 1.130 -4.208 1.00 70.10 C ATOM 644 C LEU A 41 -0.311 0.710 -5.048 1.00 52.31 C ATOM 645 O LEU A 41 0.813 0.648 -4.552 1.00 4.01 O ATOM 646 CB LEU A 41 -2.435 -0.069 -3.981 1.00 10.30 C ATOM 647 CG LEU A 41 -3.367 0.020 -2.771 1.00 43.30 C ATOM 648 CD1 LEU A 41 -2.565 0.214 -1.493 1.00 41.10 C ATOM 649 CD2 LEU A 41 -4.367 1.152 -2.952 1.00 14.33 C ATOM 0 H LEU A 41 -3.213 1.992 -5.084 1.00 23.32 H new ATOM 0 HA LEU A 41 -1.152 1.490 -3.245 1.00 70.10 H new ATOM 0 HB2 LEU A 41 -3.044 -0.208 -4.874 1.00 10.30 H new ATOM 0 HB3 LEU A 41 -1.818 -0.961 -3.874 1.00 10.30 H new ATOM 0 HG LEU A 41 -3.919 -0.917 -2.691 1.00 43.30 H new ATOM 0 HD11 LEU A 41 -3.244 0.275 -0.643 1.00 41.10 H new ATOM 0 HD12 LEU A 41 -1.888 -0.629 -1.357 1.00 41.10 H new ATOM 0 HD13 LEU A 41 -1.987 1.135 -1.563 1.00 41.10 H new ATOM 0 HD21 LEU A 41 -5.022 1.201 -2.082 1.00 14.33 H new ATOM 0 HD22 LEU A 41 -3.833 2.096 -3.058 1.00 14.33 H new ATOM 0 HD23 LEU A 41 -4.964 0.971 -3.846 1.00 14.33 H new ATOM 661 N GLU A 42 -0.557 0.424 -6.323 1.00 12.43 N ATOM 662 CA GLU A 42 0.505 0.011 -7.232 1.00 3.43 C ATOM 663 C GLU A 42 1.627 1.046 -7.264 1.00 12.25 C ATOM 664 O GLU A 42 2.791 0.723 -7.036 1.00 62.11 O ATOM 665 CB GLU A 42 -0.051 -0.198 -8.641 1.00 53.32 C ATOM 666 CG GLU A 42 -0.829 -1.492 -8.803 1.00 71.53 C ATOM 667 CD GLU A 42 -0.649 -2.114 -10.174 1.00 63.14 C ATOM 668 OE1 GLU A 42 0.514 -2.328 -10.580 1.00 10.25 O ATOM 669 OE2 GLU A 42 -1.668 -2.387 -10.842 1.00 10.22 O ATOM 0 H GLU A 42 -1.482 0.471 -6.749 1.00 12.43 H new ATOM 0 HA GLU A 42 0.913 -0.932 -6.868 1.00 3.43 H new ATOM 0 HB2 GLU A 42 -0.700 0.640 -8.894 1.00 53.32 H new ATOM 0 HB3 GLU A 42 0.774 -0.189 -9.353 1.00 53.32 H new ATOM 0 HG2 GLU A 42 -0.508 -2.202 -8.041 1.00 71.53 H new ATOM 0 HG3 GLU A 42 -1.888 -1.298 -8.632 1.00 71.53 H new ATOM 676 N ASN A 43 1.264 2.293 -7.549 1.00 43.41 N ATOM 677 CA ASN A 43 2.239 3.376 -7.612 1.00 54.12 C ATOM 678 C ASN A 43 3.099 3.409 -6.352 1.00 54.33 C ATOM 679 O ASN A 43 4.299 3.143 -6.401 1.00 1.54 O ATOM 680 CB ASN A 43 1.529 4.720 -7.795 1.00 21.51 C ATOM 681 CG ASN A 43 2.502 5.865 -7.997 1.00 21.22 C ATOM 682 OD1 ASN A 43 3.701 5.652 -8.181 1.00 34.43 O ATOM 683 ND2 ASN A 43 1.989 7.090 -7.964 1.00 31.54 N ATOM 0 H ASN A 43 0.303 2.578 -7.740 1.00 43.41 H new ATOM 0 HA ASN A 43 2.889 3.197 -8.469 1.00 54.12 H new ATOM 0 HB2 ASN A 43 0.859 4.660 -8.653 1.00 21.51 H new ATOM 0 HB3 ASN A 43 0.910 4.923 -6.921 1.00 21.51 H new ATOM 0 HD21 ASN A 43 2.595 7.900 -8.094 1.00 31.54 H new ATOM 0 HD22 ASN A 43 0.989 7.220 -7.809 1.00 31.54 H new ATOM 690 N TYR A 44 2.475 3.737 -5.226 1.00 13.43 N ATOM 691 CA TYR A 44 3.182 3.807 -3.953 1.00 55.41 C ATOM 692 C TYR A 44 3.976 2.529 -3.700 1.00 73.51 C ATOM 693 O TYR A 44 5.110 2.572 -3.223 1.00 43.54 O ATOM 694 CB TYR A 44 2.194 4.042 -2.809 1.00 70.12 C ATOM 695 CG TYR A 44 1.764 5.485 -2.668 1.00 4.13 C ATOM 696 CD1 TYR A 44 2.701 6.498 -2.511 1.00 22.41 C ATOM 697 CD2 TYR A 44 0.419 5.834 -2.692 1.00 53.22 C ATOM 698 CE1 TYR A 44 2.312 7.817 -2.380 1.00 1.12 C ATOM 699 CE2 TYR A 44 0.021 7.151 -2.564 1.00 53.33 C ATOM 700 CZ TYR A 44 0.972 8.139 -2.407 1.00 75.23 C ATOM 701 OH TYR A 44 0.580 9.451 -2.279 1.00 13.51 O ATOM 0 H TYR A 44 1.481 3.959 -5.169 1.00 13.43 H new ATOM 0 HA TYR A 44 3.879 4.643 -3.999 1.00 55.41 H new ATOM 0 HB2 TYR A 44 1.312 3.423 -2.969 1.00 70.12 H new ATOM 0 HB3 TYR A 44 2.649 3.714 -1.874 1.00 70.12 H new ATOM 0 HD1 TYR A 44 3.752 6.250 -2.491 1.00 22.41 H new ATOM 0 HD2 TYR A 44 -0.328 5.063 -2.813 1.00 53.22 H new ATOM 0 HE1 TYR A 44 3.054 8.592 -2.257 1.00 1.12 H new ATOM 0 HE2 TYR A 44 -1.028 7.406 -2.587 1.00 53.33 H new ATOM 0 HH TYR A 44 -0.321 9.561 -2.649 1.00 13.51 H new ATOM 711 N LEU A 45 3.371 1.392 -4.024 1.00 24.34 N ATOM 712 CA LEU A 45 4.019 0.099 -3.833 1.00 4.30 C ATOM 713 C LEU A 45 5.357 0.047 -4.566 1.00 24.04 C ATOM 714 O LEU A 45 6.318 -0.549 -4.081 1.00 11.30 O ATOM 715 CB LEU A 45 3.111 -1.028 -4.328 1.00 24.03 C ATOM 716 CG LEU A 45 3.722 -2.430 -4.333 1.00 52.15 C ATOM 717 CD1 LEU A 45 4.195 -2.812 -2.940 1.00 21.54 C ATOM 718 CD2 LEU A 45 2.719 -3.447 -4.856 1.00 71.42 C ATOM 0 H LEU A 45 2.433 1.339 -4.420 1.00 24.34 H new ATOM 0 HA LEU A 45 4.203 -0.033 -2.767 1.00 4.30 H new ATOM 0 HB2 LEU A 45 2.216 -1.046 -3.706 1.00 24.03 H new ATOM 0 HB3 LEU A 45 2.790 -0.790 -5.342 1.00 24.03 H new ATOM 0 HG LEU A 45 4.586 -2.426 -4.998 1.00 52.15 H new ATOM 0 HD11 LEU A 45 4.627 -3.813 -2.964 1.00 21.54 H new ATOM 0 HD12 LEU A 45 4.948 -2.100 -2.604 1.00 21.54 H new ATOM 0 HD13 LEU A 45 3.350 -2.798 -2.252 1.00 21.54 H new ATOM 0 HD21 LEU A 45 3.171 -4.439 -4.852 1.00 71.42 H new ATOM 0 HD22 LEU A 45 1.836 -3.448 -4.217 1.00 71.42 H new ATOM 0 HD23 LEU A 45 2.431 -3.183 -5.874 1.00 71.42 H new ATOM 730 N GLU A 46 5.411 0.679 -5.734 1.00 31.11 N ATOM 731 CA GLU A 46 6.630 0.705 -6.532 1.00 45.53 C ATOM 732 C GLU A 46 7.718 1.519 -5.835 1.00 42.14 C ATOM 733 O GLU A 46 8.909 1.299 -6.057 1.00 53.43 O ATOM 734 CB GLU A 46 6.348 1.291 -7.918 1.00 20.45 C ATOM 735 CG GLU A 46 7.179 0.664 -9.024 1.00 75.02 C ATOM 736 CD GLU A 46 8.510 1.362 -9.222 1.00 70.11 C ATOM 737 OE1 GLU A 46 8.776 2.350 -8.506 1.00 34.45 O ATOM 738 OE2 GLU A 46 9.288 0.919 -10.093 1.00 51.50 O ATOM 0 H GLU A 46 4.625 1.180 -6.148 1.00 31.11 H new ATOM 0 HA GLU A 46 6.982 -0.320 -6.645 1.00 45.53 H new ATOM 0 HB2 GLU A 46 5.291 1.160 -8.150 1.00 20.45 H new ATOM 0 HB3 GLU A 46 6.539 2.364 -7.895 1.00 20.45 H new ATOM 0 HG2 GLU A 46 7.355 -0.386 -8.790 1.00 75.02 H new ATOM 0 HG3 GLU A 46 6.616 0.693 -9.957 1.00 75.02 H new ATOM 745 N GLU A 47 7.298 2.458 -4.995 1.00 5.35 N ATOM 746 CA GLU A 47 8.237 3.305 -4.267 1.00 33.14 C ATOM 747 C GLU A 47 9.146 2.467 -3.373 1.00 43.44 C ATOM 748 O GLU A 47 10.365 2.654 -3.358 1.00 15.12 O ATOM 749 CB GLU A 47 7.482 4.333 -3.423 1.00 32.24 C ATOM 750 CG GLU A 47 6.477 5.152 -4.216 1.00 43.42 C ATOM 751 CD GLU A 47 7.132 6.252 -5.028 1.00 44.53 C ATOM 752 OE1 GLU A 47 7.608 5.963 -6.146 1.00 23.35 O ATOM 753 OE2 GLU A 47 7.170 7.404 -4.545 1.00 63.35 O ATOM 0 H GLU A 47 6.316 2.652 -4.801 1.00 5.35 H new ATOM 0 HA GLU A 47 8.855 3.828 -4.997 1.00 33.14 H new ATOM 0 HB2 GLU A 47 6.961 3.817 -2.617 1.00 32.24 H new ATOM 0 HB3 GLU A 47 8.201 5.007 -2.958 1.00 32.24 H new ATOM 0 HG2 GLU A 47 5.923 4.493 -4.884 1.00 43.42 H new ATOM 0 HG3 GLU A 47 5.753 5.593 -3.531 1.00 43.42 H new ATOM 760 N LEU A 48 8.547 1.543 -2.630 1.00 64.33 N ATOM 761 CA LEU A 48 9.303 0.675 -1.733 1.00 14.34 C ATOM 762 C LEU A 48 10.452 -0.004 -2.471 1.00 72.01 C ATOM 763 O LEU A 48 11.505 -0.272 -1.891 1.00 12.10 O ATOM 764 CB LEU A 48 8.382 -0.380 -1.119 1.00 63.11 C ATOM 765 CG LEU A 48 7.293 0.142 -0.181 1.00 11.34 C ATOM 766 CD1 LEU A 48 5.926 0.039 -0.839 1.00 62.25 C ATOM 767 CD2 LEU A 48 7.312 -0.620 1.136 1.00 0.24 C ATOM 0 H LEU A 48 7.541 1.375 -2.631 1.00 64.33 H new ATOM 0 HA LEU A 48 9.722 1.292 -0.938 1.00 14.34 H new ATOM 0 HB2 LEU A 48 7.903 -0.930 -1.929 1.00 63.11 H new ATOM 0 HB3 LEU A 48 8.996 -1.093 -0.569 1.00 63.11 H new ATOM 0 HG LEU A 48 7.494 1.193 0.028 1.00 11.34 H new ATOM 0 HD11 LEU A 48 5.164 0.415 -0.156 1.00 62.25 H new ATOM 0 HD12 LEU A 48 5.917 0.631 -1.754 1.00 62.25 H new ATOM 0 HD13 LEU A 48 5.715 -1.003 -1.079 1.00 62.25 H new ATOM 0 HD21 LEU A 48 6.530 -0.235 1.791 1.00 0.24 H new ATOM 0 HD22 LEU A 48 7.137 -1.679 0.946 1.00 0.24 H new ATOM 0 HD23 LEU A 48 8.282 -0.493 1.616 1.00 0.24 H new ATOM 779 N LYS A 49 10.244 -0.278 -3.754 1.00 54.54 N ATOM 780 CA LYS A 49 11.264 -0.922 -4.574 1.00 53.32 C ATOM 781 C LYS A 49 12.483 -0.019 -4.735 1.00 70.43 C ATOM 782 O LYS A 49 13.621 -0.477 -4.638 1.00 30.33 O ATOM 783 CB LYS A 49 10.692 -1.276 -5.949 1.00 52.23 C ATOM 784 CG LYS A 49 9.321 -1.926 -5.890 1.00 11.43 C ATOM 785 CD LYS A 49 9.327 -3.158 -5.002 1.00 25.42 C ATOM 786 CE LYS A 49 7.962 -3.829 -4.970 1.00 61.44 C ATOM 787 NZ LYS A 49 7.792 -4.795 -6.091 1.00 42.41 N ATOM 0 H LYS A 49 9.378 -0.064 -4.249 1.00 54.54 H new ATOM 0 HA LYS A 49 11.576 -1.837 -4.070 1.00 53.32 H new ATOM 0 HB2 LYS A 49 10.629 -0.370 -6.551 1.00 52.23 H new ATOM 0 HB3 LYS A 49 11.382 -1.949 -6.458 1.00 52.23 H new ATOM 0 HG2 LYS A 49 8.593 -1.208 -5.513 1.00 11.43 H new ATOM 0 HG3 LYS A 49 9.005 -2.203 -6.896 1.00 11.43 H new ATOM 0 HD2 LYS A 49 10.073 -3.865 -5.364 1.00 25.42 H new ATOM 0 HD3 LYS A 49 9.619 -2.877 -3.990 1.00 25.42 H new ATOM 0 HE2 LYS A 49 7.835 -4.349 -4.020 1.00 61.44 H new ATOM 0 HE3 LYS A 49 7.182 -3.069 -5.024 1.00 61.44 H new ATOM 0 HZ1 LYS A 49 6.849 -5.231 -6.034 1.00 42.41 H new ATOM 0 HZ2 LYS A 49 7.888 -4.295 -6.998 1.00 42.41 H new ATOM 0 HZ3 LYS A 49 8.520 -5.535 -6.025 1.00 42.41 H new ATOM 801 N GLN A 50 12.236 1.263 -4.981 1.00 50.12 N ATOM 802 CA GLN A 50 13.315 2.228 -5.155 1.00 14.51 C ATOM 803 C GLN A 50 13.901 2.637 -3.808 1.00 23.32 C ATOM 804 O GLN A 50 13.255 2.497 -2.769 1.00 24.12 O ATOM 805 CB GLN A 50 12.807 3.465 -5.899 1.00 23.24 C ATOM 806 CG GLN A 50 11.970 3.135 -7.124 1.00 54.54 C ATOM 807 CD GLN A 50 12.716 2.276 -8.127 1.00 14.41 C ATOM 808 OE1 GLN A 50 13.946 2.292 -8.181 1.00 65.21 O ATOM 809 NE2 GLN A 50 11.974 1.521 -8.928 1.00 3.10 N ATOM 0 H GLN A 50 11.299 1.658 -5.064 1.00 50.12 H new ATOM 0 HA GLN A 50 14.100 1.755 -5.745 1.00 14.51 H new ATOM 0 HB2 GLN A 50 12.213 4.072 -5.216 1.00 23.24 H new ATOM 0 HB3 GLN A 50 13.660 4.071 -6.204 1.00 23.24 H new ATOM 0 HG2 GLN A 50 11.063 2.617 -6.811 1.00 54.54 H new ATOM 0 HG3 GLN A 50 11.658 4.061 -7.606 1.00 54.54 H new ATOM 0 HE21 GLN A 50 10.957 1.539 -8.848 1.00 3.10 H new ATOM 0 HE22 GLN A 50 12.421 0.923 -9.623 1.00 3.10 H new ATOM 818 N LYS A 51 15.130 3.142 -3.832 1.00 21.11 N ATOM 819 CA LYS A 51 15.805 3.572 -2.612 1.00 50.45 C ATOM 820 C LYS A 51 15.653 5.076 -2.408 1.00 31.22 C ATOM 821 O LYS A 51 16.393 5.685 -1.637 1.00 2.03 O ATOM 822 CB LYS A 51 17.289 3.202 -2.669 1.00 55.43 C ATOM 823 CG LYS A 51 18.055 3.926 -3.764 1.00 72.03 C ATOM 824 CD LYS A 51 19.355 3.214 -4.098 1.00 13.10 C ATOM 825 CE LYS A 51 20.351 3.307 -2.953 1.00 24.10 C ATOM 826 NZ LYS A 51 20.147 2.225 -1.950 1.00 53.34 N ATOM 0 H LYS A 51 15.679 3.264 -4.683 1.00 21.11 H new ATOM 0 HA LYS A 51 15.341 3.060 -1.769 1.00 50.45 H new ATOM 0 HB2 LYS A 51 17.748 3.427 -1.706 1.00 55.43 H new ATOM 0 HB3 LYS A 51 17.381 2.127 -2.823 1.00 55.43 H new ATOM 0 HG2 LYS A 51 17.436 3.994 -4.659 1.00 72.03 H new ATOM 0 HG3 LYS A 51 18.269 4.946 -3.446 1.00 72.03 H new ATOM 0 HD2 LYS A 51 19.151 2.167 -4.320 1.00 13.10 H new ATOM 0 HD3 LYS A 51 19.790 3.651 -4.997 1.00 13.10 H new ATOM 0 HE2 LYS A 51 21.365 3.249 -3.348 1.00 24.10 H new ATOM 0 HE3 LYS A 51 20.254 4.277 -2.465 1.00 24.10 H new ATOM 0 HZ1 LYS A 51 19.851 2.642 -1.044 1.00 53.34 H new ATOM 0 HZ2 LYS A 51 19.410 1.573 -2.288 1.00 53.34 H new ATOM 0 HZ3 LYS A 51 21.037 1.703 -1.817 1.00 53.34 H new ATOM 840 N SER A 52 14.686 5.668 -3.103 1.00 1.14 N ATOM 841 CA SER A 52 14.438 7.102 -2.998 1.00 60.23 C ATOM 842 C SER A 52 13.524 7.410 -1.816 1.00 52.22 C ATOM 843 O SER A 52 13.971 7.913 -0.786 1.00 23.11 O ATOM 844 CB SER A 52 13.813 7.628 -4.292 1.00 25.53 C ATOM 845 OG SER A 52 13.413 8.980 -4.151 1.00 42.35 O ATOM 0 H SER A 52 14.062 5.178 -3.744 1.00 1.14 H new ATOM 0 HA SER A 52 15.393 7.601 -2.835 1.00 60.23 H new ATOM 0 HB2 SER A 52 14.530 7.541 -5.108 1.00 25.53 H new ATOM 0 HB3 SER A 52 12.951 7.016 -4.558 1.00 25.53 H new ATOM 0 HG SER A 52 13.018 9.294 -4.991 1.00 42.35 H new ATOM 851 N ALA A 53 12.240 7.105 -1.974 1.00 34.53 N ATOM 852 CA ALA A 53 11.262 7.346 -0.920 1.00 10.23 C ATOM 853 C ALA A 53 11.418 6.339 0.215 1.00 14.14 C ATOM 854 O ALA A 53 11.554 5.139 -0.022 1.00 34.03 O ATOM 855 CB ALA A 53 9.852 7.293 -1.487 1.00 33.41 C ATOM 0 H ALA A 53 11.853 6.691 -2.822 1.00 34.53 H new ATOM 0 HA ALA A 53 11.440 8.341 -0.513 1.00 10.23 H new ATOM 0 HB1 ALA A 53 9.132 7.475 -0.689 1.00 33.41 H new ATOM 0 HB2 ALA A 53 9.741 8.056 -2.257 1.00 33.41 H new ATOM 0 HB3 ALA A 53 9.671 6.310 -1.922 1.00 33.41 H new ATOM 861 N SER A 54 11.396 6.836 1.447 1.00 15.13 N ATOM 862 CA SER A 54 11.539 5.981 2.619 1.00 72.41 C ATOM 863 C SER A 54 10.267 5.172 2.860 1.00 12.41 C ATOM 864 O SER A 54 9.178 5.571 2.447 1.00 21.35 O ATOM 865 CB SER A 54 11.864 6.822 3.854 1.00 25.25 C ATOM 866 OG SER A 54 12.652 7.947 3.512 1.00 1.50 O ATOM 0 H SER A 54 11.280 7.827 1.660 1.00 15.13 H new ATOM 0 HA SER A 54 12.360 5.288 2.434 1.00 72.41 H new ATOM 0 HB2 SER A 54 10.939 7.152 4.326 1.00 25.25 H new ATOM 0 HB3 SER A 54 12.395 6.211 4.584 1.00 25.25 H new ATOM 0 HG SER A 54 12.844 8.469 4.319 1.00 1.50 H new ATOM 872 N VAL A 55 10.415 4.035 3.531 1.00 35.42 N ATOM 873 CA VAL A 55 9.279 3.170 3.829 1.00 41.31 C ATOM 874 C VAL A 55 8.149 3.953 4.485 1.00 13.43 C ATOM 875 O VAL A 55 7.020 3.992 3.994 1.00 41.13 O ATOM 876 CB VAL A 55 9.686 2.007 4.753 1.00 63.14 C ATOM 877 CG1 VAL A 55 8.519 1.592 5.635 1.00 73.31 C ATOM 878 CG2 VAL A 55 10.192 0.828 3.935 1.00 12.20 C ATOM 0 H VAL A 55 11.310 3.691 3.879 1.00 35.42 H new ATOM 0 HA VAL A 55 8.932 2.765 2.878 1.00 41.31 H new ATOM 0 HB VAL A 55 10.496 2.346 5.399 1.00 63.14 H new ATOM 0 HG11 VAL A 55 8.826 0.769 6.281 1.00 73.31 H new ATOM 0 HG12 VAL A 55 8.207 2.438 6.248 1.00 73.31 H new ATOM 0 HG13 VAL A 55 7.686 1.271 5.009 1.00 73.31 H new ATOM 0 HG21 VAL A 55 10.475 0.016 4.604 1.00 12.20 H new ATOM 0 HG22 VAL A 55 9.405 0.487 3.263 1.00 12.20 H new ATOM 0 HG23 VAL A 55 11.059 1.136 3.351 1.00 12.20 H new ATOM 888 N PRO A 56 8.455 4.596 5.622 1.00 64.12 N ATOM 889 CA PRO A 56 7.479 5.393 6.370 1.00 74.53 C ATOM 890 C PRO A 56 7.091 6.672 5.637 1.00 12.01 C ATOM 891 O PRO A 56 6.108 7.327 5.986 1.00 70.21 O ATOM 892 CB PRO A 56 8.213 5.723 7.672 1.00 42.22 C ATOM 893 CG PRO A 56 9.659 5.660 7.318 1.00 74.41 C ATOM 894 CD PRO A 56 9.781 4.594 6.264 1.00 50.12 C ATOM 0 HA PRO A 56 6.542 4.856 6.518 1.00 74.53 H new ATOM 0 HB2 PRO A 56 7.939 6.711 8.042 1.00 42.22 H new ATOM 0 HB3 PRO A 56 7.966 5.009 8.458 1.00 42.22 H new ATOM 0 HG2 PRO A 56 10.011 6.621 6.944 1.00 74.41 H new ATOM 0 HG3 PRO A 56 10.264 5.417 8.191 1.00 74.41 H new ATOM 0 HD2 PRO A 56 10.573 4.823 5.551 1.00 50.12 H new ATOM 0 HD3 PRO A 56 10.015 3.623 6.700 1.00 50.12 H new ATOM 902 N LEU A 57 7.869 7.025 4.620 1.00 72.32 N ATOM 903 CA LEU A 57 7.607 8.227 3.836 1.00 63.55 C ATOM 904 C LEU A 57 6.467 7.996 2.850 1.00 74.25 C ATOM 905 O LEU A 57 5.698 8.911 2.549 1.00 64.23 O ATOM 906 CB LEU A 57 8.869 8.654 3.084 1.00 35.22 C ATOM 907 CG LEU A 57 9.647 9.823 3.689 1.00 12.11 C ATOM 908 CD1 LEU A 57 8.867 11.120 3.536 1.00 61.22 C ATOM 909 CD2 LEU A 57 9.958 9.555 5.154 1.00 40.55 C ATOM 0 H LEU A 57 8.687 6.496 4.319 1.00 72.32 H new ATOM 0 HA LEU A 57 7.314 9.022 4.522 1.00 63.55 H new ATOM 0 HB2 LEU A 57 9.537 7.795 3.018 1.00 35.22 H new ATOM 0 HB3 LEU A 57 8.588 8.919 2.065 1.00 35.22 H new ATOM 0 HG LEU A 57 10.589 9.925 3.151 1.00 12.11 H new ATOM 0 HD11 LEU A 57 9.436 11.941 3.972 1.00 61.22 H new ATOM 0 HD12 LEU A 57 8.696 11.319 2.478 1.00 61.22 H new ATOM 0 HD13 LEU A 57 7.909 11.031 4.048 1.00 61.22 H new ATOM 0 HD21 LEU A 57 10.512 10.397 5.568 1.00 40.55 H new ATOM 0 HD22 LEU A 57 9.027 9.426 5.706 1.00 40.55 H new ATOM 0 HD23 LEU A 57 10.558 8.649 5.239 1.00 40.55 H new ATOM 921 N ILE A 58 6.362 6.768 2.351 1.00 14.54 N ATOM 922 CA ILE A 58 5.312 6.417 1.402 1.00 42.24 C ATOM 923 C ILE A 58 4.025 6.034 2.122 1.00 33.22 C ATOM 924 O ILE A 58 2.934 6.460 1.739 1.00 41.23 O ATOM 925 CB ILE A 58 5.745 5.253 0.491 1.00 31.44 C ATOM 926 CG1 ILE A 58 7.010 5.625 -0.284 1.00 14.01 C ATOM 927 CG2 ILE A 58 4.621 4.883 -0.465 1.00 32.44 C ATOM 928 CD1 ILE A 58 8.060 4.537 -0.284 1.00 5.44 C ATOM 0 H ILE A 58 6.991 6.001 2.588 1.00 14.54 H new ATOM 0 HA ILE A 58 5.132 7.300 0.789 1.00 42.24 H new ATOM 0 HB ILE A 58 5.966 4.387 1.114 1.00 31.44 H new ATOM 0 HG12 ILE A 58 6.740 5.858 -1.314 1.00 14.01 H new ATOM 0 HG13 ILE A 58 7.437 6.531 0.146 1.00 14.01 H new ATOM 0 HG21 ILE A 58 4.942 4.059 -1.102 1.00 32.44 H new ATOM 0 HG22 ILE A 58 3.743 4.580 0.106 1.00 32.44 H new ATOM 0 HG23 ILE A 58 4.372 5.745 -1.084 1.00 32.44 H new ATOM 0 HD11 ILE A 58 8.929 4.870 -0.852 1.00 5.44 H new ATOM 0 HD12 ILE A 58 8.358 4.319 0.742 1.00 5.44 H new ATOM 0 HD13 ILE A 58 7.651 3.636 -0.742 1.00 5.44 H new ATOM 940 N LEU A 59 4.157 5.227 3.171 1.00 53.55 N ATOM 941 CA LEU A 59 3.003 4.788 3.947 1.00 63.53 C ATOM 942 C LEU A 59 2.242 5.981 4.516 1.00 45.15 C ATOM 943 O LEU A 59 1.034 5.909 4.738 1.00 21.21 O ATOM 944 CB LEU A 59 3.451 3.866 5.083 1.00 71.31 C ATOM 945 CG LEU A 59 4.144 2.569 4.662 1.00 61.41 C ATOM 946 CD1 LEU A 59 4.519 1.743 5.883 1.00 54.32 C ATOM 947 CD2 LEU A 59 3.252 1.767 3.727 1.00 75.53 C ATOM 0 H LEU A 59 5.051 4.864 3.502 1.00 53.55 H new ATOM 0 HA LEU A 59 2.336 4.240 3.282 1.00 63.53 H new ATOM 0 HB2 LEU A 59 4.129 4.423 5.730 1.00 71.31 H new ATOM 0 HB3 LEU A 59 2.577 3.610 5.682 1.00 71.31 H new ATOM 0 HG LEU A 59 5.059 2.826 4.128 1.00 61.41 H new ATOM 0 HD11 LEU A 59 5.011 0.824 5.564 1.00 54.32 H new ATOM 0 HD12 LEU A 59 5.196 2.316 6.516 1.00 54.32 H new ATOM 0 HD13 LEU A 59 3.619 1.496 6.446 1.00 54.32 H new ATOM 0 HD21 LEU A 59 3.761 0.848 3.438 1.00 75.53 H new ATOM 0 HD22 LEU A 59 2.320 1.521 4.236 1.00 75.53 H new ATOM 0 HD23 LEU A 59 3.035 2.357 2.837 1.00 75.53 H new ATOM 959 N SER A 60 2.957 7.077 4.746 1.00 51.03 N ATOM 960 CA SER A 60 2.349 8.286 5.289 1.00 20.24 C ATOM 961 C SER A 60 1.355 8.885 4.301 1.00 55.44 C ATOM 962 O SER A 60 0.153 8.933 4.564 1.00 71.25 O ATOM 963 CB SER A 60 3.428 9.315 5.633 1.00 61.32 C ATOM 964 OG SER A 60 3.951 9.091 6.931 1.00 14.13 O ATOM 0 H SER A 60 3.958 7.153 4.565 1.00 51.03 H new ATOM 0 HA SER A 60 1.812 8.016 6.198 1.00 20.24 H new ATOM 0 HB2 SER A 60 4.232 9.262 4.899 1.00 61.32 H new ATOM 0 HB3 SER A 60 3.009 10.319 5.575 1.00 61.32 H new ATOM 0 HG SER A 60 4.715 8.480 6.875 1.00 14.13 H new ATOM 970 N ARG A 61 1.865 9.343 3.162 1.00 61.55 N ATOM 971 CA ARG A 61 1.023 9.942 2.133 1.00 62.50 C ATOM 972 C ARG A 61 0.051 8.914 1.561 1.00 43.33 C ATOM 973 O ARG A 61 -1.068 9.251 1.173 1.00 4.34 O ATOM 974 CB ARG A 61 1.887 10.523 1.011 1.00 71.41 C ATOM 975 CG ARG A 61 2.195 12.001 1.184 1.00 22.23 C ATOM 976 CD ARG A 61 3.349 12.219 2.152 1.00 40.15 C ATOM 977 NE ARG A 61 3.584 13.637 2.410 1.00 65.30 N ATOM 978 CZ ARG A 61 2.829 14.371 3.220 1.00 43.40 C ATOM 979 NH1 ARG A 61 1.797 13.824 3.846 1.00 32.44 N ATOM 980 NH2 ARG A 61 3.107 15.655 3.406 1.00 2.20 N ATOM 0 H ARG A 61 2.857 9.311 2.929 1.00 61.55 H new ATOM 0 HA ARG A 61 0.447 10.746 2.592 1.00 62.50 H new ATOM 0 HB2 ARG A 61 2.824 9.969 0.961 1.00 71.41 H new ATOM 0 HB3 ARG A 61 1.378 10.375 0.058 1.00 71.41 H new ATOM 0 HG2 ARG A 61 2.442 12.438 0.217 1.00 22.23 H new ATOM 0 HG3 ARG A 61 1.308 12.518 1.550 1.00 22.23 H new ATOM 0 HD2 ARG A 61 3.135 11.710 3.092 1.00 40.15 H new ATOM 0 HD3 ARG A 61 4.254 11.769 1.744 1.00 40.15 H new ATOM 0 HE ARG A 61 4.370 14.088 1.943 1.00 65.30 H new ATOM 0 HH11 ARG A 61 1.581 12.837 3.707 1.00 32.44 H new ATOM 0 HH12 ARG A 61 1.219 14.390 4.467 1.00 32.44 H new ATOM 0 HH21 ARG A 61 3.901 16.079 2.927 1.00 2.20 H new ATOM 0 HH22 ARG A 61 2.527 16.218 4.028 1.00 2.20 H new ATOM 994 N MET A 62 0.487 7.659 1.508 1.00 32.14 N ATOM 995 CA MET A 62 -0.345 6.582 0.984 1.00 14.33 C ATOM 996 C MET A 62 -1.708 6.566 1.668 1.00 23.44 C ATOM 997 O MET A 62 -2.744 6.660 1.012 1.00 34.25 O ATOM 998 CB MET A 62 0.350 5.233 1.173 1.00 4.11 C ATOM 999 CG MET A 62 -0.456 4.055 0.650 1.00 50.13 C ATOM 1000 SD MET A 62 0.473 2.510 0.678 1.00 4.24 S ATOM 1001 CE MET A 62 -0.244 1.711 2.111 1.00 3.22 C ATOM 0 H MET A 62 1.411 7.363 1.822 1.00 32.14 H new ATOM 0 HA MET A 62 -0.495 6.758 -0.081 1.00 14.33 H new ATOM 0 HB2 MET A 62 1.315 5.256 0.666 1.00 4.11 H new ATOM 0 HB3 MET A 62 0.551 5.083 2.234 1.00 4.11 H new ATOM 0 HG2 MET A 62 -1.359 3.942 1.250 1.00 50.13 H new ATOM 0 HG3 MET A 62 -0.776 4.263 -0.371 1.00 50.13 H new ATOM 0 HE1 MET A 62 0.483 1.027 2.548 1.00 3.22 H new ATOM 0 HE2 MET A 62 -0.521 2.465 2.847 1.00 3.22 H new ATOM 0 HE3 MET A 62 -1.131 1.154 1.811 1.00 3.22 H new ATOM 1011 N ASN A 63 -1.699 6.444 2.992 1.00 50.01 N ATOM 1012 CA ASN A 63 -2.935 6.414 3.765 1.00 22.32 C ATOM 1013 C ASN A 63 -3.798 7.634 3.459 1.00 35.43 C ATOM 1014 O ASN A 63 -5.005 7.516 3.243 1.00 15.12 O ATOM 1015 CB ASN A 63 -2.624 6.359 5.262 1.00 23.41 C ATOM 1016 CG ASN A 63 -3.787 5.824 6.076 1.00 11.42 C ATOM 1017 OD1 ASN A 63 -4.940 5.888 5.648 1.00 44.41 O ATOM 1018 ND2 ASN A 63 -3.489 5.293 7.256 1.00 51.14 N ATOM 0 H ASN A 63 -0.850 6.364 3.551 1.00 50.01 H new ATOM 0 HA ASN A 63 -3.489 5.519 3.482 1.00 22.32 H new ATOM 0 HB2 ASN A 63 -1.750 5.729 5.426 1.00 23.41 H new ATOM 0 HB3 ASN A 63 -2.367 7.358 5.614 1.00 23.41 H new ATOM 0 HD21 ASN A 63 -4.230 4.917 7.848 1.00 51.14 H new ATOM 0 HD22 ASN A 63 -2.519 5.261 7.571 1.00 51.14 H new ATOM 1025 N LEU A 64 -3.172 8.806 3.442 1.00 73.51 N ATOM 1026 CA LEU A 64 -3.882 10.049 3.161 1.00 70.22 C ATOM 1027 C LEU A 64 -4.297 10.120 1.695 1.00 40.14 C ATOM 1028 O LEU A 64 -5.060 11.000 1.297 1.00 45.14 O ATOM 1029 CB LEU A 64 -3.005 11.251 3.514 1.00 62.01 C ATOM 1030 CG LEU A 64 -2.966 11.643 4.991 1.00 20.41 C ATOM 1031 CD1 LEU A 64 -2.210 10.601 5.800 1.00 44.42 C ATOM 1032 CD2 LEU A 64 -2.334 13.017 5.162 1.00 51.23 C ATOM 0 H LEU A 64 -2.174 8.921 3.620 1.00 73.51 H new ATOM 0 HA LEU A 64 -4.782 10.071 3.775 1.00 70.22 H new ATOM 0 HB2 LEU A 64 -1.987 11.040 3.188 1.00 62.01 H new ATOM 0 HB3 LEU A 64 -3.353 12.110 2.940 1.00 62.01 H new ATOM 0 HG LEU A 64 -3.990 11.688 5.362 1.00 20.41 H new ATOM 0 HD11 LEU A 64 -2.193 10.897 6.849 1.00 44.42 H new ATOM 0 HD12 LEU A 64 -2.706 9.635 5.704 1.00 44.42 H new ATOM 0 HD13 LEU A 64 -1.188 10.523 5.428 1.00 44.42 H new ATOM 0 HD21 LEU A 64 -2.315 13.280 6.220 1.00 51.23 H new ATOM 0 HD22 LEU A 64 -1.316 13.000 4.774 1.00 51.23 H new ATOM 0 HD23 LEU A 64 -2.918 13.757 4.615 1.00 51.23 H new ATOM 1044 N ASP A 65 -3.790 9.187 0.896 1.00 54.13 N ATOM 1045 CA ASP A 65 -4.110 9.142 -0.526 1.00 23.43 C ATOM 1046 C ASP A 65 -5.256 8.171 -0.794 1.00 42.53 C ATOM 1047 O ASP A 65 -6.186 8.484 -1.538 1.00 2.40 O ATOM 1048 CB ASP A 65 -2.878 8.731 -1.334 1.00 55.14 C ATOM 1049 CG ASP A 65 -3.028 9.037 -2.813 1.00 24.14 C ATOM 1050 OD1 ASP A 65 -4.110 8.756 -3.370 1.00 65.42 O ATOM 1051 OD2 ASP A 65 -2.063 9.557 -3.411 1.00 75.30 O ATOM 0 H ASP A 65 -3.156 8.452 1.209 1.00 54.13 H new ATOM 0 HA ASP A 65 -4.422 10.139 -0.835 1.00 23.43 H new ATOM 0 HB2 ASP A 65 -2.002 9.250 -0.945 1.00 55.14 H new ATOM 0 HB3 ASP A 65 -2.700 7.664 -1.203 1.00 55.14 H new ATOM 1056 N ILE A 66 -5.181 6.992 -0.185 1.00 54.41 N ATOM 1057 CA ILE A 66 -6.213 5.977 -0.358 1.00 55.33 C ATOM 1058 C ILE A 66 -7.538 6.430 0.245 1.00 54.14 C ATOM 1059 O ILE A 66 -8.547 6.529 -0.453 1.00 31.53 O ATOM 1060 CB ILE A 66 -5.800 4.640 0.284 1.00 45.12 C ATOM 1061 CG1 ILE A 66 -4.453 4.176 -0.273 1.00 44.12 C ATOM 1062 CG2 ILE A 66 -6.869 3.585 0.046 1.00 75.11 C ATOM 1063 CD1 ILE A 66 -3.837 3.035 0.506 1.00 1.43 C ATOM 0 H ILE A 66 -4.417 6.716 0.432 1.00 54.41 H new ATOM 0 HA ILE A 66 -6.336 5.833 -1.431 1.00 55.33 H new ATOM 0 HB ILE A 66 -5.696 4.788 1.359 1.00 45.12 H new ATOM 0 HG12 ILE A 66 -4.585 3.868 -1.310 1.00 44.12 H new ATOM 0 HG13 ILE A 66 -3.761 5.018 -0.276 1.00 44.12 H new ATOM 0 HG21 ILE A 66 -6.562 2.646 0.506 1.00 75.11 H new ATOM 0 HG22 ILE A 66 -7.810 3.914 0.487 1.00 75.11 H new ATOM 0 HG23 ILE A 66 -7.002 3.438 -1.026 1.00 75.11 H new ATOM 0 HD11 ILE A 66 -2.884 2.759 0.054 1.00 1.43 H new ATOM 0 HD12 ILE A 66 -3.673 3.346 1.538 1.00 1.43 H new ATOM 0 HD13 ILE A 66 -4.509 2.177 0.488 1.00 1.43 H new ATOM 1075 N SER A 67 -7.526 6.706 1.545 1.00 34.12 N ATOM 1076 CA SER A 67 -8.728 7.148 2.244 1.00 52.44 C ATOM 1077 C SER A 67 -9.401 8.294 1.495 1.00 43.41 C ATOM 1078 O SER A 67 -10.603 8.258 1.231 1.00 1.11 O ATOM 1079 CB SER A 67 -8.383 7.587 3.667 1.00 24.04 C ATOM 1080 OG SER A 67 -8.136 6.467 4.501 1.00 32.05 O ATOM 0 H SER A 67 -6.698 6.632 2.136 1.00 34.12 H new ATOM 0 HA SER A 67 -9.422 6.309 2.289 1.00 52.44 H new ATOM 0 HB2 SER A 67 -7.504 8.232 3.649 1.00 24.04 H new ATOM 0 HB3 SER A 67 -9.203 8.177 4.078 1.00 24.04 H new ATOM 0 HG SER A 67 -7.916 6.775 5.405 1.00 32.05 H new ATOM 1086 N LYS A 68 -8.618 9.312 1.156 1.00 50.43 N ATOM 1087 CA LYS A 68 -9.135 10.469 0.436 1.00 51.41 C ATOM 1088 C LYS A 68 -9.629 10.072 -0.950 1.00 54.04 C ATOM 1089 O LYS A 68 -10.575 10.661 -1.475 1.00 63.01 O ATOM 1090 CB LYS A 68 -8.053 11.546 0.315 1.00 71.11 C ATOM 1091 CG LYS A 68 -7.364 11.564 -1.038 1.00 52.44 C ATOM 1092 CD LYS A 68 -6.130 12.452 -1.023 1.00 63.35 C ATOM 1093 CE LYS A 68 -6.295 13.652 -1.944 1.00 24.33 C ATOM 1094 NZ LYS A 68 -5.465 14.807 -1.502 1.00 0.10 N ATOM 0 H LYS A 68 -7.622 9.359 1.369 1.00 50.43 H new ATOM 0 HA LYS A 68 -9.977 10.870 1.001 1.00 51.41 H new ATOM 0 HB2 LYS A 68 -8.502 12.522 0.498 1.00 71.11 H new ATOM 0 HB3 LYS A 68 -7.305 11.388 1.092 1.00 71.11 H new ATOM 0 HG2 LYS A 68 -7.080 10.549 -1.316 1.00 52.44 H new ATOM 0 HG3 LYS A 68 -8.060 11.920 -1.797 1.00 52.44 H new ATOM 0 HD2 LYS A 68 -5.940 12.796 -0.006 1.00 63.35 H new ATOM 0 HD3 LYS A 68 -5.260 11.873 -1.331 1.00 63.35 H new ATOM 0 HE2 LYS A 68 -6.016 13.372 -2.960 1.00 24.33 H new ATOM 0 HE3 LYS A 68 -7.344 13.948 -1.972 1.00 24.33 H new ATOM 0 HZ1 LYS A 68 -5.605 15.605 -2.154 1.00 0.10 H new ATOM 0 HZ2 LYS A 68 -5.748 15.091 -0.542 1.00 0.10 H new ATOM 0 HZ3 LYS A 68 -4.462 14.533 -1.500 1.00 0.10 H new ATOM 1108 N ALA A 69 -8.985 9.069 -1.538 1.00 51.24 N ATOM 1109 CA ALA A 69 -9.362 8.592 -2.863 1.00 72.34 C ATOM 1110 C ALA A 69 -10.738 7.931 -2.837 1.00 44.42 C ATOM 1111 O ALA A 69 -11.389 7.793 -3.873 1.00 42.25 O ATOM 1112 CB ALA A 69 -8.318 7.619 -3.391 1.00 10.13 C ATOM 0 H ALA A 69 -8.200 8.571 -1.118 1.00 51.24 H new ATOM 0 HA ALA A 69 -9.412 9.452 -3.531 1.00 72.34 H new ATOM 0 HB1 ALA A 69 -8.613 7.271 -4.381 1.00 10.13 H new ATOM 0 HB2 ALA A 69 -7.352 8.121 -3.455 1.00 10.13 H new ATOM 0 HB3 ALA A 69 -8.240 6.767 -2.715 1.00 10.13 H new ATOM 1118 N ILE A 70 -11.172 7.525 -1.649 1.00 44.21 N ATOM 1119 CA ILE A 70 -12.468 6.880 -1.490 1.00 10.13 C ATOM 1120 C ILE A 70 -13.603 7.826 -1.867 1.00 11.34 C ATOM 1121 O ILE A 70 -14.258 7.649 -2.893 1.00 74.43 O ATOM 1122 CB ILE A 70 -12.681 6.392 -0.045 1.00 12.32 C ATOM 1123 CG1 ILE A 70 -11.495 5.537 0.408 1.00 55.13 C ATOM 1124 CG2 ILE A 70 -13.979 5.606 0.063 1.00 0.41 C ATOM 1125 CD1 ILE A 70 -11.657 4.968 1.800 1.00 44.33 C ATOM 0 H ILE A 70 -10.645 7.632 -0.782 1.00 44.21 H new ATOM 0 HA ILE A 70 -12.476 6.020 -2.160 1.00 10.13 H new ATOM 0 HB ILE A 70 -12.750 7.261 0.610 1.00 12.32 H new ATOM 0 HG12 ILE A 70 -11.358 4.717 -0.297 1.00 55.13 H new ATOM 0 HG13 ILE A 70 -10.588 6.141 0.374 1.00 55.13 H new ATOM 0 HG21 ILE A 70 -14.115 5.268 1.090 1.00 0.41 H new ATOM 0 HG22 ILE A 70 -14.815 6.244 -0.223 1.00 0.41 H new ATOM 0 HG23 ILE A 70 -13.938 4.742 -0.601 1.00 0.41 H new ATOM 0 HD11 ILE A 70 -10.780 4.373 2.054 1.00 44.33 H new ATOM 0 HD12 ILE A 70 -11.763 5.783 2.516 1.00 44.33 H new ATOM 0 HD13 ILE A 70 -12.545 4.337 1.834 1.00 44.33 H new ATOM 1137 N ARG A 71 -13.828 8.835 -1.030 1.00 21.22 N ATOM 1138 CA ARG A 71 -14.884 9.810 -1.276 1.00 45.32 C ATOM 1139 C ARG A 71 -14.684 10.499 -2.623 1.00 70.11 C ATOM 1140 O ARG A 71 -15.641 10.963 -3.241 1.00 34.50 O ATOM 1141 CB ARG A 71 -14.913 10.853 -0.158 1.00 24.23 C ATOM 1142 CG ARG A 71 -13.549 11.438 0.166 1.00 42.51 C ATOM 1143 CD ARG A 71 -13.664 12.657 1.069 1.00 14.20 C ATOM 1144 NE ARG A 71 -12.414 13.409 1.136 1.00 53.13 N ATOM 1145 CZ ARG A 71 -12.253 14.501 1.874 1.00 14.22 C ATOM 1146 NH1 ARG A 71 -13.257 14.967 2.605 1.00 72.52 N ATOM 1147 NH2 ARG A 71 -11.085 15.131 1.884 1.00 43.34 N ATOM 0 H ARG A 71 -13.293 8.998 -0.177 1.00 21.22 H new ATOM 0 HA ARG A 71 -15.837 9.281 -1.296 1.00 45.32 H new ATOM 0 HB2 ARG A 71 -15.586 11.661 -0.444 1.00 24.23 H new ATOM 0 HB3 ARG A 71 -15.326 10.397 0.742 1.00 24.23 H new ATOM 0 HG2 ARG A 71 -12.934 10.681 0.652 1.00 42.51 H new ATOM 0 HG3 ARG A 71 -13.042 11.715 -0.758 1.00 42.51 H new ATOM 0 HD2 ARG A 71 -14.458 13.307 0.701 1.00 14.20 H new ATOM 0 HD3 ARG A 71 -13.950 12.340 2.072 1.00 14.20 H new ATOM 0 HE ARG A 71 -11.622 13.077 0.586 1.00 53.13 H new ATOM 0 HH11 ARG A 71 -14.157 14.486 2.601 1.00 72.52 H new ATOM 0 HH12 ARG A 71 -13.129 15.806 3.171 1.00 72.52 H new ATOM 0 HH21 ARG A 71 -10.310 14.776 1.324 1.00 43.34 H new ATOM 0 HH22 ARG A 71 -10.963 15.970 2.451 1.00 43.34 H new ATOM 1161 N ASN A 72 -13.434 10.561 -3.071 1.00 34.23 N ATOM 1162 CA ASN A 72 -13.110 11.195 -4.344 1.00 63.10 C ATOM 1163 C ASN A 72 -13.974 10.631 -5.467 1.00 14.33 C ATOM 1164 O ASN A 72 -14.918 11.279 -5.923 1.00 1.20 O ATOM 1165 CB ASN A 72 -11.630 10.993 -4.674 1.00 44.33 C ATOM 1166 CG ASN A 72 -10.793 12.215 -4.349 1.00 63.42 C ATOM 1167 OD1 ASN A 72 -9.962 12.643 -5.151 1.00 31.01 O ATOM 1168 ND2 ASN A 72 -11.008 12.782 -3.168 1.00 71.03 N ATOM 0 H ASN A 72 -12.630 10.180 -2.572 1.00 34.23 H new ATOM 0 HA ASN A 72 -13.314 12.262 -4.254 1.00 63.10 H new ATOM 0 HB2 ASN A 72 -11.250 10.137 -4.117 1.00 44.33 H new ATOM 0 HB3 ASN A 72 -11.526 10.756 -5.733 1.00 44.33 H new ATOM 0 HD21 ASN A 72 -10.474 13.607 -2.893 1.00 71.03 H new ATOM 0 HD22 ASN A 72 -11.707 12.393 -2.535 1.00 71.03 H new ATOM 1175 N ASP A 73 -13.647 9.422 -5.909 1.00 11.25 N ATOM 1176 CA ASP A 73 -14.395 8.770 -6.978 1.00 53.34 C ATOM 1177 C ASP A 73 -15.684 8.155 -6.443 1.00 32.23 C ATOM 1178 O ASP A 73 -16.735 8.244 -7.076 1.00 71.35 O ATOM 1179 CB ASP A 73 -13.539 7.693 -7.644 1.00 21.21 C ATOM 1180 CG ASP A 73 -12.215 8.233 -8.149 1.00 11.44 C ATOM 1181 OD1 ASP A 73 -12.219 8.955 -9.169 1.00 21.04 O ATOM 1182 OD2 ASP A 73 -11.176 7.937 -7.524 1.00 64.40 O ATOM 0 H ASP A 73 -12.869 8.873 -5.544 1.00 11.25 H new ATOM 0 HA ASP A 73 -14.655 9.526 -7.719 1.00 53.34 H new ATOM 0 HB2 ASP A 73 -13.352 6.890 -6.931 1.00 21.21 H new ATOM 0 HB3 ASP A 73 -14.092 7.258 -8.477 1.00 21.21 H new ATOM 1187 N GLY A 74 -15.595 7.532 -5.273 1.00 65.41 N ATOM 1188 CA GLY A 74 -16.760 6.910 -4.672 1.00 72.53 C ATOM 1189 C GLY A 74 -16.599 5.411 -4.509 1.00 63.45 C ATOM 1190 O GLY A 74 -17.581 4.669 -4.517 1.00 73.11 O ATOM 0 H GLY A 74 -14.736 7.447 -4.730 1.00 65.41 H new ATOM 0 HA2 GLY A 74 -16.946 7.360 -3.697 1.00 72.53 H new ATOM 0 HA3 GLY A 74 -17.635 7.113 -5.289 1.00 72.53 H new ATOM 1194 N VAL A 75 -15.356 4.964 -4.363 1.00 5.12 N ATOM 1195 CA VAL A 75 -15.069 3.543 -4.199 1.00 2.25 C ATOM 1196 C VAL A 75 -15.301 3.099 -2.758 1.00 3.51 C ATOM 1197 O VAL A 75 -15.689 3.898 -1.905 1.00 32.44 O ATOM 1198 CB VAL A 75 -13.619 3.214 -4.599 1.00 4.33 C ATOM 1199 CG1 VAL A 75 -13.372 3.575 -6.056 1.00 0.12 C ATOM 1200 CG2 VAL A 75 -12.638 3.937 -3.688 1.00 10.30 C ATOM 0 H VAL A 75 -14.532 5.565 -4.355 1.00 5.12 H new ATOM 0 HA VAL A 75 -15.750 3.004 -4.857 1.00 2.25 H new ATOM 0 HB VAL A 75 -13.463 2.141 -4.484 1.00 4.33 H new ATOM 0 HG11 VAL A 75 -12.342 3.335 -6.321 1.00 0.12 H new ATOM 0 HG12 VAL A 75 -14.051 3.007 -6.692 1.00 0.12 H new ATOM 0 HG13 VAL A 75 -13.545 4.641 -6.201 1.00 0.12 H new ATOM 0 HG21 VAL A 75 -11.618 3.693 -3.985 1.00 10.30 H new ATOM 0 HG22 VAL A 75 -12.792 5.013 -3.769 1.00 10.30 H new ATOM 0 HG23 VAL A 75 -12.800 3.624 -2.657 1.00 10.30 H new ATOM 1210 N THR A 76 -15.057 1.820 -2.492 1.00 53.15 N ATOM 1211 CA THR A 76 -15.240 1.269 -1.156 1.00 44.14 C ATOM 1212 C THR A 76 -14.263 0.127 -0.895 1.00 75.21 C ATOM 1213 O THR A 76 -14.120 -0.781 -1.715 1.00 10.21 O ATOM 1214 CB THR A 76 -16.678 0.757 -0.950 1.00 45.31 C ATOM 1215 OG1 THR A 76 -16.863 0.350 0.410 1.00 1.33 O ATOM 1216 CG2 THR A 76 -16.975 -0.410 -1.880 1.00 24.54 C ATOM 0 H THR A 76 -14.732 1.146 -3.185 1.00 53.15 H new ATOM 0 HA THR A 76 -15.047 2.078 -0.451 1.00 44.14 H new ATOM 0 HB THR A 76 -17.367 1.570 -1.182 1.00 45.31 H new ATOM 0 HG1 THR A 76 -17.780 0.027 0.533 1.00 1.33 H new ATOM 0 HG21 THR A 76 -17.996 -0.755 -1.717 1.00 24.54 H new ATOM 0 HG22 THR A 76 -16.862 -0.088 -2.915 1.00 24.54 H new ATOM 0 HG23 THR A 76 -16.280 -1.224 -1.675 1.00 24.54 H new ATOM 1224 N LEU A 77 -13.596 0.176 0.252 1.00 31.43 N ATOM 1225 CA LEU A 77 -12.634 -0.856 0.623 1.00 63.50 C ATOM 1226 C LEU A 77 -13.338 -2.060 1.242 1.00 11.31 C ATOM 1227 O LEU A 77 -14.253 -1.909 2.050 1.00 1.23 O ATOM 1228 CB LEU A 77 -11.605 -0.293 1.605 1.00 42.24 C ATOM 1229 CG LEU A 77 -11.140 1.140 1.342 1.00 75.13 C ATOM 1230 CD1 LEU A 77 -10.011 1.517 2.286 1.00 44.23 C ATOM 1231 CD2 LEU A 77 -10.704 1.302 -0.107 1.00 71.14 C ATOM 0 H LEU A 77 -13.703 0.920 0.942 1.00 31.43 H new ATOM 0 HA LEU A 77 -12.123 -1.183 -0.282 1.00 63.50 H new ATOM 0 HB2 LEU A 77 -12.028 -0.338 2.609 1.00 42.24 H new ATOM 0 HB3 LEU A 77 -10.731 -0.944 1.598 1.00 42.24 H new ATOM 0 HG LEU A 77 -11.978 1.813 1.525 1.00 75.13 H new ATOM 0 HD11 LEU A 77 -9.694 2.540 2.084 1.00 44.23 H new ATOM 0 HD12 LEU A 77 -10.358 1.442 3.317 1.00 44.23 H new ATOM 0 HD13 LEU A 77 -9.170 0.840 2.136 1.00 44.23 H new ATOM 0 HD21 LEU A 77 -10.376 2.328 -0.276 1.00 71.14 H new ATOM 0 HD22 LEU A 77 -9.881 0.619 -0.318 1.00 71.14 H new ATOM 0 HD23 LEU A 77 -11.542 1.075 -0.767 1.00 71.14 H new ATOM 1243 N SER A 78 -12.902 -3.256 0.857 1.00 55.01 N ATOM 1244 CA SER A 78 -13.491 -4.486 1.372 1.00 71.21 C ATOM 1245 C SER A 78 -13.138 -4.682 2.844 1.00 62.01 C ATOM 1246 O SER A 78 -12.329 -3.942 3.403 1.00 10.43 O ATOM 1247 CB SER A 78 -13.011 -5.687 0.556 1.00 64.31 C ATOM 1248 OG SER A 78 -13.950 -6.747 0.608 1.00 62.12 O ATOM 0 H SER A 78 -12.143 -3.399 0.190 1.00 55.01 H new ATOM 0 HA SER A 78 -14.574 -4.406 1.284 1.00 71.21 H new ATOM 0 HB2 SER A 78 -12.853 -5.387 -0.480 1.00 64.31 H new ATOM 0 HB3 SER A 78 -12.050 -6.030 0.938 1.00 64.31 H new ATOM 0 HG SER A 78 -13.476 -7.605 0.598 1.00 62.12 H new ATOM 1254 N ASP A 79 -13.751 -5.684 3.463 1.00 62.41 N ATOM 1255 CA ASP A 79 -13.502 -5.980 4.870 1.00 65.12 C ATOM 1256 C ASP A 79 -12.008 -6.149 5.133 1.00 72.22 C ATOM 1257 O ASP A 79 -11.407 -5.370 5.873 1.00 42.04 O ATOM 1258 CB ASP A 79 -14.252 -7.247 5.287 1.00 15.44 C ATOM 1259 CG ASP A 79 -15.731 -6.996 5.510 1.00 40.50 C ATOM 1260 OD1 ASP A 79 -16.107 -5.826 5.733 1.00 30.24 O ATOM 1261 OD2 ASP A 79 -16.511 -7.969 5.459 1.00 11.04 O ATOM 0 H ASP A 79 -14.424 -6.305 3.014 1.00 62.41 H new ATOM 0 HA ASP A 79 -13.865 -5.140 5.463 1.00 65.12 H new ATOM 0 HB2 ASP A 79 -14.127 -8.009 4.518 1.00 15.44 H new ATOM 0 HB3 ASP A 79 -13.811 -7.642 6.202 1.00 15.44 H new ATOM 1266 N TYR A 80 -11.418 -7.171 4.524 1.00 4.21 N ATOM 1267 CA TYR A 80 -9.995 -7.445 4.696 1.00 54.21 C ATOM 1268 C TYR A 80 -9.155 -6.241 4.278 1.00 22.22 C ATOM 1269 O TYR A 80 -8.020 -6.079 4.725 1.00 31.23 O ATOM 1270 CB TYR A 80 -9.588 -8.672 3.880 1.00 53.15 C ATOM 1271 CG TYR A 80 -9.884 -8.542 2.403 1.00 54.34 C ATOM 1272 CD1 TYR A 80 -11.103 -8.955 1.879 1.00 55.13 C ATOM 1273 CD2 TYR A 80 -8.945 -8.008 1.529 1.00 11.52 C ATOM 1274 CE1 TYR A 80 -11.378 -8.839 0.530 1.00 51.02 C ATOM 1275 CE2 TYR A 80 -9.211 -7.886 0.179 1.00 65.43 C ATOM 1276 CZ TYR A 80 -10.430 -8.304 -0.316 1.00 4.41 C ATOM 1277 OH TYR A 80 -10.698 -8.186 -1.660 1.00 52.20 O ATOM 0 H TYR A 80 -11.902 -7.823 3.907 1.00 4.21 H new ATOM 0 HA TYR A 80 -9.814 -7.644 5.752 1.00 54.21 H new ATOM 0 HB2 TYR A 80 -8.521 -8.849 4.014 1.00 53.15 H new ATOM 0 HB3 TYR A 80 -10.108 -9.547 4.271 1.00 53.15 H new ATOM 0 HD1 TYR A 80 -11.849 -9.374 2.538 1.00 55.13 H new ATOM 0 HD2 TYR A 80 -7.989 -7.682 1.912 1.00 11.52 H new ATOM 0 HE1 TYR A 80 -12.331 -9.166 0.140 1.00 51.02 H new ATOM 0 HE2 TYR A 80 -8.470 -7.466 -0.485 1.00 65.43 H new ATOM 0 HH TYR A 80 -9.926 -7.789 -2.114 1.00 52.20 H new ATOM 1287 N GLN A 81 -9.723 -5.401 3.420 1.00 15.02 N ATOM 1288 CA GLN A 81 -9.027 -4.212 2.942 1.00 20.03 C ATOM 1289 C GLN A 81 -8.970 -3.141 4.027 1.00 40.12 C ATOM 1290 O GLN A 81 -7.896 -2.643 4.365 1.00 42.20 O ATOM 1291 CB GLN A 81 -9.719 -3.655 1.696 1.00 22.51 C ATOM 1292 CG GLN A 81 -9.146 -4.188 0.393 1.00 73.32 C ATOM 1293 CD GLN A 81 -9.127 -3.144 -0.706 1.00 2.53 C ATOM 1294 OE1 GLN A 81 -9.670 -2.050 -0.548 1.00 62.42 O ATOM 1295 NE2 GLN A 81 -8.499 -3.477 -1.828 1.00 33.13 N ATOM 0 H GLN A 81 -10.663 -5.521 3.041 1.00 15.02 H new ATOM 0 HA GLN A 81 -8.007 -4.499 2.685 1.00 20.03 H new ATOM 0 HB2 GLN A 81 -10.781 -3.896 1.742 1.00 22.51 H new ATOM 0 HB3 GLN A 81 -9.638 -2.568 1.701 1.00 22.51 H new ATOM 0 HG2 GLN A 81 -8.131 -4.546 0.566 1.00 73.32 H new ATOM 0 HG3 GLN A 81 -9.735 -5.045 0.065 1.00 73.32 H new ATOM 0 HE21 GLN A 81 -8.063 -4.395 -1.915 1.00 33.13 H new ATOM 0 HE22 GLN A 81 -8.453 -2.815 -2.602 1.00 33.13 H new ATOM 1304 N SER A 82 -10.132 -2.793 4.569 1.00 12.32 N ATOM 1305 CA SER A 82 -10.214 -1.777 5.613 1.00 33.32 C ATOM 1306 C SER A 82 -9.246 -2.088 6.750 1.00 70.02 C ATOM 1307 O SER A 82 -8.563 -1.200 7.260 1.00 31.33 O ATOM 1308 CB SER A 82 -11.643 -1.687 6.154 1.00 31.42 C ATOM 1309 OG SER A 82 -11.956 -2.813 6.956 1.00 74.13 O ATOM 0 H SER A 82 -11.029 -3.199 4.303 1.00 12.32 H new ATOM 0 HA SER A 82 -9.937 -0.818 5.176 1.00 33.32 H new ATOM 0 HB2 SER A 82 -11.756 -0.776 6.741 1.00 31.42 H new ATOM 0 HB3 SER A 82 -12.346 -1.621 5.324 1.00 31.42 H new ATOM 0 HG SER A 82 -11.738 -3.634 6.467 1.00 74.13 H new ATOM 1315 N LYS A 83 -9.193 -3.357 7.143 1.00 2.12 N ATOM 1316 CA LYS A 83 -8.308 -3.788 8.220 1.00 53.44 C ATOM 1317 C LYS A 83 -6.847 -3.701 7.790 1.00 75.13 C ATOM 1318 O LYS A 83 -5.961 -3.464 8.612 1.00 60.24 O ATOM 1319 CB LYS A 83 -8.644 -5.221 8.639 1.00 43.20 C ATOM 1320 CG LYS A 83 -8.301 -6.259 7.584 1.00 15.02 C ATOM 1321 CD LYS A 83 -8.362 -7.669 8.149 1.00 33.01 C ATOM 1322 CE LYS A 83 -9.797 -8.156 8.278 1.00 52.12 C ATOM 1323 NZ LYS A 83 -10.151 -8.472 9.689 1.00 42.14 N ATOM 0 H LYS A 83 -9.752 -4.105 6.732 1.00 2.12 H new ATOM 0 HA LYS A 83 -8.458 -3.123 9.070 1.00 53.44 H new ATOM 0 HB2 LYS A 83 -8.107 -5.458 9.558 1.00 43.20 H new ATOM 0 HB3 LYS A 83 -9.708 -5.284 8.867 1.00 43.20 H new ATOM 0 HG2 LYS A 83 -8.994 -6.171 6.747 1.00 15.02 H new ATOM 0 HG3 LYS A 83 -7.302 -6.066 7.193 1.00 15.02 H new ATOM 0 HD2 LYS A 83 -7.804 -8.346 7.502 1.00 33.01 H new ATOM 0 HD3 LYS A 83 -7.880 -7.692 9.126 1.00 33.01 H new ATOM 0 HE2 LYS A 83 -10.475 -7.393 7.896 1.00 52.12 H new ATOM 0 HE3 LYS A 83 -9.936 -9.044 7.661 1.00 52.12 H new ATOM 0 HZ1 LYS A 83 -11.137 -8.800 9.734 1.00 42.14 H new ATOM 0 HZ2 LYS A 83 -9.521 -9.218 10.046 1.00 42.14 H new ATOM 0 HZ3 LYS A 83 -10.043 -7.619 10.273 1.00 42.14 H new ATOM 1337 N LYS A 84 -6.603 -3.893 6.498 1.00 63.01 N ATOM 1338 CA LYS A 84 -5.249 -3.833 5.958 1.00 21.42 C ATOM 1339 C LYS A 84 -4.687 -2.419 6.055 1.00 64.23 C ATOM 1340 O LYS A 84 -3.472 -2.219 6.016 1.00 73.04 O ATOM 1341 CB LYS A 84 -5.238 -4.300 4.502 1.00 61.14 C ATOM 1342 CG LYS A 84 -5.223 -3.161 3.497 1.00 12.15 C ATOM 1343 CD LYS A 84 -3.806 -2.778 3.108 1.00 4.24 C ATOM 1344 CE LYS A 84 -3.706 -1.305 2.745 1.00 10.10 C ATOM 1345 NZ LYS A 84 -4.067 -1.059 1.321 1.00 21.31 N ATOM 0 H LYS A 84 -7.325 -4.091 5.805 1.00 63.01 H new ATOM 0 HA LYS A 84 -4.618 -4.496 6.550 1.00 21.42 H new ATOM 0 HB2 LYS A 84 -4.363 -4.929 4.338 1.00 61.14 H new ATOM 0 HB3 LYS A 84 -6.116 -4.921 4.322 1.00 61.14 H new ATOM 0 HG2 LYS A 84 -5.779 -3.453 2.606 1.00 12.15 H new ATOM 0 HG3 LYS A 84 -5.732 -2.295 3.920 1.00 12.15 H new ATOM 0 HD2 LYS A 84 -3.129 -2.997 3.934 1.00 4.24 H new ATOM 0 HD3 LYS A 84 -3.483 -3.385 2.262 1.00 4.24 H new ATOM 0 HE2 LYS A 84 -4.365 -0.726 3.392 1.00 10.10 H new ATOM 0 HE3 LYS A 84 -2.690 -0.954 2.928 1.00 10.10 H new ATOM 0 HZ1 LYS A 84 -4.135 -0.035 1.152 1.00 21.31 H new ATOM 0 HZ2 LYS A 84 -3.336 -1.464 0.702 1.00 21.31 H new ATOM 0 HZ3 LYS A 84 -4.983 -1.506 1.113 1.00 21.31 H new ATOM 1359 N LEU A 85 -5.576 -1.441 6.182 1.00 70.02 N ATOM 1360 CA LEU A 85 -5.168 -0.044 6.285 1.00 22.30 C ATOM 1361 C LEU A 85 -4.426 0.211 7.593 1.00 41.04 C ATOM 1362 O LEU A 85 -3.468 0.983 7.636 1.00 51.42 O ATOM 1363 CB LEU A 85 -6.390 0.873 6.192 1.00 42.01 C ATOM 1364 CG LEU A 85 -6.310 1.993 5.155 1.00 41.13 C ATOM 1365 CD1 LEU A 85 -5.168 2.943 5.482 1.00 2.33 C ATOM 1366 CD2 LEU A 85 -6.139 1.416 3.757 1.00 34.52 C ATOM 0 H LEU A 85 -6.585 -1.589 6.216 1.00 70.02 H new ATOM 0 HA LEU A 85 -4.494 0.174 5.457 1.00 22.30 H new ATOM 0 HB2 LEU A 85 -7.263 0.260 5.969 1.00 42.01 H new ATOM 0 HB3 LEU A 85 -6.558 1.322 7.171 1.00 42.01 H new ATOM 0 HG LEU A 85 -7.244 2.554 5.184 1.00 41.13 H new ATOM 0 HD11 LEU A 85 -5.127 3.734 4.733 1.00 2.33 H new ATOM 0 HD12 LEU A 85 -5.331 3.383 6.466 1.00 2.33 H new ATOM 0 HD13 LEU A 85 -4.227 2.394 5.482 1.00 2.33 H new ATOM 0 HD21 LEU A 85 -6.084 2.228 3.032 1.00 34.52 H new ATOM 0 HD22 LEU A 85 -5.221 0.830 3.715 1.00 34.52 H new ATOM 0 HD23 LEU A 85 -6.989 0.776 3.521 1.00 34.52 H new ATOM 1378 N LYS A 86 -4.873 -0.444 8.659 1.00 65.35 N ATOM 1379 CA LYS A 86 -4.249 -0.294 9.968 1.00 15.23 C ATOM 1380 C LYS A 86 -2.884 -0.972 10.003 1.00 61.13 C ATOM 1381 O LYS A 86 -2.133 -0.825 10.967 1.00 71.14 O ATOM 1382 CB LYS A 86 -5.152 -0.881 11.056 1.00 43.22 C ATOM 1383 CG LYS A 86 -5.090 -2.396 11.144 1.00 65.33 C ATOM 1384 CD LYS A 86 -4.376 -2.853 12.405 1.00 35.13 C ATOM 1385 CE LYS A 86 -5.309 -2.849 13.606 1.00 12.02 C ATOM 1386 NZ LYS A 86 -4.720 -3.568 14.769 1.00 25.03 N ATOM 0 H LYS A 86 -5.666 -1.085 8.642 1.00 65.35 H new ATOM 0 HA LYS A 86 -4.109 0.771 10.156 1.00 15.23 H new ATOM 0 HB2 LYS A 86 -4.869 -0.457 12.020 1.00 43.22 H new ATOM 0 HB3 LYS A 86 -6.181 -0.578 10.865 1.00 43.22 H new ATOM 0 HG2 LYS A 86 -6.101 -2.804 11.129 1.00 65.33 H new ATOM 0 HG3 LYS A 86 -4.574 -2.791 10.269 1.00 65.33 H new ATOM 0 HD2 LYS A 86 -3.978 -3.857 12.256 1.00 35.13 H new ATOM 0 HD3 LYS A 86 -3.526 -2.199 12.601 1.00 35.13 H new ATOM 0 HE2 LYS A 86 -5.531 -1.820 13.890 1.00 12.02 H new ATOM 0 HE3 LYS A 86 -6.255 -3.315 13.332 1.00 12.02 H new ATOM 0 HZ1 LYS A 86 -5.387 -3.543 15.567 1.00 25.03 H new ATOM 0 HZ2 LYS A 86 -4.531 -4.557 14.507 1.00 25.03 H new ATOM 0 HZ3 LYS A 86 -3.830 -3.108 15.047 1.00 25.03 H new ATOM 1400 N GLU A 87 -2.570 -1.714 8.946 1.00 72.24 N ATOM 1401 CA GLU A 87 -1.294 -2.414 8.857 1.00 75.01 C ATOM 1402 C GLU A 87 -0.129 -1.430 8.902 1.00 2.14 C ATOM 1403 O GLU A 87 0.521 -1.267 9.936 1.00 21.12 O ATOM 1404 CB GLU A 87 -1.229 -3.239 7.570 1.00 60.04 C ATOM 1405 CG GLU A 87 -2.242 -4.370 7.519 1.00 23.51 C ATOM 1406 CD GLU A 87 -1.782 -5.600 8.278 1.00 11.13 C ATOM 1407 OE1 GLU A 87 -1.771 -5.556 9.526 1.00 23.11 O ATOM 1408 OE2 GLU A 87 -1.433 -6.605 7.624 1.00 24.14 O ATOM 0 H GLU A 87 -3.181 -1.846 8.140 1.00 72.24 H new ATOM 0 HA GLU A 87 -1.215 -3.083 9.714 1.00 75.01 H new ATOM 0 HB2 GLU A 87 -1.391 -2.579 6.717 1.00 60.04 H new ATOM 0 HB3 GLU A 87 -0.227 -3.655 7.466 1.00 60.04 H new ATOM 0 HG2 GLU A 87 -3.188 -4.024 7.935 1.00 23.51 H new ATOM 0 HG3 GLU A 87 -2.429 -4.638 6.479 1.00 23.51 H new ATOM 1415 N LEU A 88 0.130 -0.776 7.776 1.00 41.52 N ATOM 1416 CA LEU A 88 1.218 0.193 7.686 1.00 74.12 C ATOM 1417 C LEU A 88 0.959 1.388 8.597 1.00 13.12 C ATOM 1418 O LEU A 88 1.828 2.239 8.785 1.00 1.33 O ATOM 1419 CB LEU A 88 1.387 0.665 6.241 1.00 1.45 C ATOM 1420 CG LEU A 88 0.096 0.929 5.465 1.00 53.32 C ATOM 1421 CD1 LEU A 88 -0.436 -0.361 4.859 1.00 3.44 C ATOM 1422 CD2 LEU A 88 -0.949 1.566 6.369 1.00 14.25 C ATOM 0 H LEU A 88 -0.398 -0.898 6.912 1.00 41.52 H new ATOM 0 HA LEU A 88 2.136 -0.296 8.012 1.00 74.12 H new ATOM 0 HB2 LEU A 88 1.978 1.581 6.246 1.00 1.45 H new ATOM 0 HB3 LEU A 88 1.965 -0.084 5.701 1.00 1.45 H new ATOM 0 HG LEU A 88 0.318 1.623 4.654 1.00 53.32 H new ATOM 0 HD11 LEU A 88 -1.355 -0.154 4.311 1.00 3.44 H new ATOM 0 HD12 LEU A 88 0.307 -0.777 4.178 1.00 3.44 H new ATOM 0 HD13 LEU A 88 -0.642 -1.078 5.653 1.00 3.44 H new ATOM 0 HD21 LEU A 88 -1.861 1.747 5.800 1.00 14.25 H new ATOM 0 HD22 LEU A 88 -1.167 0.896 7.201 1.00 14.25 H new ATOM 0 HD23 LEU A 88 -0.569 2.512 6.755 1.00 14.25 H new ATOM 1434 N THR A 89 -0.243 1.445 9.164 1.00 54.32 N ATOM 1435 CA THR A 89 -0.617 2.534 10.057 1.00 52.40 C ATOM 1436 C THR A 89 0.224 2.516 11.328 1.00 23.43 C ATOM 1437 O THR A 89 0.758 3.544 11.745 1.00 62.21 O ATOM 1438 CB THR A 89 -2.107 2.462 10.438 1.00 30.34 C ATOM 1439 OG1 THR A 89 -2.919 2.821 9.315 1.00 43.15 O ATOM 1440 CG2 THR A 89 -2.412 3.387 11.607 1.00 53.44 C ATOM 0 H THR A 89 -0.974 0.749 9.020 1.00 54.32 H new ATOM 0 HA THR A 89 -0.433 3.463 9.517 1.00 52.40 H new ATOM 0 HB THR A 89 -2.333 1.438 10.736 1.00 30.34 H new ATOM 0 HG1 THR A 89 -2.887 2.105 8.646 1.00 43.15 H new ATOM 0 HG21 THR A 89 -3.470 3.319 11.858 1.00 53.44 H new ATOM 0 HG22 THR A 89 -1.815 3.092 12.470 1.00 53.44 H new ATOM 0 HG23 THR A 89 -2.170 4.413 11.332 1.00 53.44 H new ATOM 1448 N SER A 90 0.337 1.341 11.940 1.00 34.34 N ATOM 1449 CA SER A 90 1.110 1.190 13.167 1.00 55.53 C ATOM 1450 C SER A 90 2.605 1.149 12.865 1.00 2.23 C ATOM 1451 O SER A 90 3.431 1.468 13.721 1.00 32.14 O ATOM 1452 CB SER A 90 0.693 -0.084 13.904 1.00 30.21 C ATOM 1453 OG SER A 90 1.031 -0.012 15.278 1.00 32.25 O ATOM 0 H SER A 90 -0.097 0.480 11.606 1.00 34.34 H new ATOM 0 HA SER A 90 0.908 2.052 13.803 1.00 55.53 H new ATOM 0 HB2 SER A 90 -0.381 -0.234 13.798 1.00 30.21 H new ATOM 0 HB3 SER A 90 1.182 -0.947 13.451 1.00 30.21 H new ATOM 0 HG SER A 90 0.753 -0.837 15.727 1.00 32.25 H new ATOM 1459 N ILE A 91 2.945 0.756 11.642 1.00 21.53 N ATOM 1460 CA ILE A 91 4.340 0.674 11.227 1.00 21.21 C ATOM 1461 C ILE A 91 4.938 2.064 11.035 1.00 25.40 C ATOM 1462 O ILE A 91 6.155 2.217 10.932 1.00 43.35 O ATOM 1463 CB ILE A 91 4.492 -0.123 9.918 1.00 72.11 C ATOM 1464 CG1 ILE A 91 3.797 -1.481 10.038 1.00 43.22 C ATOM 1465 CG2 ILE A 91 5.963 -0.303 9.574 1.00 75.20 C ATOM 1466 CD1 ILE A 91 3.768 -2.262 8.743 1.00 34.35 C ATOM 0 H ILE A 91 2.274 0.490 10.922 1.00 21.53 H new ATOM 0 HA ILE A 91 4.876 0.156 12.022 1.00 21.21 H new ATOM 0 HB ILE A 91 4.017 0.437 9.112 1.00 72.11 H new ATOM 0 HG12 ILE A 91 4.305 -2.074 10.799 1.00 43.22 H new ATOM 0 HG13 ILE A 91 2.775 -1.327 10.383 1.00 43.22 H new ATOM 0 HG21 ILE A 91 6.053 -0.868 8.646 1.00 75.20 H new ATOM 0 HG22 ILE A 91 6.430 0.674 9.450 1.00 75.20 H new ATOM 0 HG23 ILE A 91 6.461 -0.844 10.378 1.00 75.20 H new ATOM 0 HD11 ILE A 91 3.261 -3.213 8.903 1.00 34.35 H new ATOM 0 HD12 ILE A 91 3.234 -1.689 7.985 1.00 34.35 H new ATOM 0 HD13 ILE A 91 4.788 -2.447 8.407 1.00 34.35 H new ATOM 1478 N SER A 92 4.075 3.074 10.992 1.00 62.53 N ATOM 1479 CA SER A 92 4.517 4.451 10.812 1.00 63.15 C ATOM 1480 C SER A 92 5.037 5.030 12.123 1.00 0.41 C ATOM 1481 O SER A 92 5.449 6.188 12.183 1.00 54.44 O ATOM 1482 CB SER A 92 3.370 5.312 10.279 1.00 61.14 C ATOM 1483 OG SER A 92 2.367 5.490 11.263 1.00 61.15 O ATOM 0 H SER A 92 3.065 2.964 11.080 1.00 62.53 H new ATOM 0 HA SER A 92 5.330 4.454 10.086 1.00 63.15 H new ATOM 0 HB2 SER A 92 3.754 6.283 9.967 1.00 61.14 H new ATOM 0 HB3 SER A 92 2.938 4.842 9.396 1.00 61.14 H new ATOM 0 HG SER A 92 1.710 4.766 11.196 1.00 61.15 H new