USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=20 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 62 MET CE :methyl -179:sc= 0 (180deg=-0.000869) USER MOD Set 1.2: A 84 LYS NZ :NH3+ 145:sc= -0.207 (180deg=-0.549) USER MOD Set 2.1: A 80 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 81 GLN : amide:sc= -0.775 K(o=-0.77,f=-4.6!) USER MOD Set 3.1: A 63 ASN : amide:sc= -2.45! C(o=-1.3!,f=-7.8!) USER MOD Set 3.2: A 89 THR OG1 : rot 72:sc= 1.16 USER MOD Set 4.1: A 15 ASN : amide:sc= -0.405 X(o=-1,f=-0.67) USER MOD Set 4.2: A 19 ASN : amide:sc= -0.64 K(o=-1,f=-2.2) USER MOD Single : A 14 SER OG : rot 180:sc= 0.0564 USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0208 USER MOD Single : A 36 SER OG : rot 24:sc= 0.177 USER MOD Single : A 38 LYS NZ :NH3+ -152:sc= -0.184 (180deg=-1.14) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -1.21 K(o=-1.2,f=-0.077) USER MOD Single : A 44 TYR OH : rot 180:sc= -0.116 USER MOD Single : A 49 LYS NZ :NH3+ 170:sc= 0.444 (180deg=0.32) USER MOD Single : A 50 GLN : amide:sc= -0.117 K(o=-0.12,f=-1.3) USER MOD Single : A 51 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.759) USER MOD Single : A 52 SER OG : rot -43:sc= 0.0269 USER MOD Single : A 54 SER OG : rot 180:sc= -0.602 USER MOD Single : A 60 SER OG : rot 180:sc= 0 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= -1.57 K(o=-1.6,f=-0.05) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot -141:sc= 0.162 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 85:sc= 0.202 USER MOD ----------------------------------------------------------------- ATOM 194 N ARG A 13 10.311 -5.528 8.975 1.00 41.13 N ATOM 195 CA ARG A 13 9.187 -4.673 9.338 1.00 25.30 C ATOM 196 C ARG A 13 8.840 -3.719 8.200 1.00 42.14 C ATOM 197 O ARG A 13 7.668 -3.502 7.894 1.00 15.41 O ATOM 198 CB ARG A 13 9.512 -3.879 10.604 1.00 11.41 C ATOM 199 CG ARG A 13 9.280 -4.657 11.889 1.00 64.23 C ATOM 200 CD ARG A 13 10.488 -5.506 12.251 1.00 41.13 C ATOM 201 NE ARG A 13 11.545 -4.715 12.877 1.00 21.20 N ATOM 202 CZ ARG A 13 12.665 -5.239 13.362 1.00 33.55 C ATOM 203 NH1 ARG A 13 12.874 -6.546 13.294 1.00 61.55 N ATOM 204 NH2 ARG A 13 13.579 -4.454 13.918 1.00 73.03 N ATOM 0 HA ARG A 13 8.324 -5.311 9.529 1.00 25.30 H new ATOM 0 HB2 ARG A 13 10.554 -3.561 10.565 1.00 11.41 H new ATOM 0 HB3 ARG A 13 8.903 -2.975 10.622 1.00 11.41 H new ATOM 0 HG2 ARG A 13 9.064 -3.963 12.702 1.00 64.23 H new ATOM 0 HG3 ARG A 13 8.405 -5.297 11.775 1.00 64.23 H new ATOM 0 HD2 ARG A 13 10.181 -6.302 12.929 1.00 41.13 H new ATOM 0 HD3 ARG A 13 10.877 -5.985 11.352 1.00 41.13 H new ATOM 0 HE ARG A 13 11.416 -3.706 12.945 1.00 21.20 H new ATOM 0 HH11 ARG A 13 12.174 -7.153 12.868 1.00 61.55 H new ATOM 0 HH12 ARG A 13 13.735 -6.945 13.667 1.00 61.55 H new ATOM 0 HH21 ARG A 13 13.422 -3.448 13.973 1.00 73.03 H new ATOM 0 HH22 ARG A 13 14.439 -4.857 14.290 1.00 73.03 H new ATOM 218 N SER A 14 9.868 -3.151 7.576 1.00 13.25 N ATOM 219 CA SER A 14 9.671 -2.214 6.475 1.00 63.40 C ATOM 220 C SER A 14 9.170 -2.939 5.230 1.00 33.21 C ATOM 221 O SER A 14 8.247 -2.478 4.559 1.00 31.34 O ATOM 222 CB SER A 14 10.978 -1.483 6.161 1.00 52.31 C ATOM 223 OG SER A 14 11.867 -1.529 7.264 1.00 34.12 O ATOM 0 H SER A 14 10.845 -3.323 7.814 1.00 13.25 H new ATOM 0 HA SER A 14 8.919 -1.486 6.779 1.00 63.40 H new ATOM 0 HB2 SER A 14 11.451 -1.936 5.290 1.00 52.31 H new ATOM 0 HB3 SER A 14 10.765 -0.445 5.905 1.00 52.31 H new ATOM 0 HG SER A 14 12.695 -1.056 7.037 1.00 34.12 H new ATOM 229 N ASN A 15 9.785 -4.078 4.927 1.00 40.53 N ATOM 230 CA ASN A 15 9.401 -4.868 3.763 1.00 43.34 C ATOM 231 C ASN A 15 8.022 -5.490 3.957 1.00 50.13 C ATOM 232 O ASN A 15 7.389 -5.929 2.998 1.00 41.23 O ATOM 233 CB ASN A 15 10.437 -5.964 3.500 1.00 14.13 C ATOM 234 CG ASN A 15 9.945 -6.997 2.505 1.00 32.54 C ATOM 235 OD1 ASN A 15 9.657 -6.677 1.353 1.00 54.11 O ATOM 236 ND2 ASN A 15 9.845 -8.245 2.949 1.00 2.32 N ATOM 0 H ASN A 15 10.551 -4.474 5.471 1.00 40.53 H new ATOM 0 HA ASN A 15 9.360 -4.202 2.901 1.00 43.34 H new ATOM 0 HB2 ASN A 15 11.355 -5.511 3.125 1.00 14.13 H new ATOM 0 HB3 ASN A 15 10.686 -6.458 4.439 1.00 14.13 H new ATOM 0 HD21 ASN A 15 9.518 -8.983 2.326 1.00 2.32 H new ATOM 0 HD22 ASN A 15 10.095 -8.465 3.913 1.00 2.32 H new ATOM 243 N GLN A 16 7.565 -5.523 5.204 1.00 33.34 N ATOM 244 CA GLN A 16 6.261 -6.093 5.525 1.00 52.12 C ATOM 245 C GLN A 16 5.150 -5.359 4.780 1.00 30.44 C ATOM 246 O GLN A 16 4.318 -5.979 4.120 1.00 73.51 O ATOM 247 CB GLN A 16 6.010 -6.030 7.032 1.00 30.23 C ATOM 248 CG GLN A 16 4.729 -6.724 7.465 1.00 72.55 C ATOM 249 CD GLN A 16 4.418 -6.514 8.933 1.00 21.03 C ATOM 250 OE1 GLN A 16 5.166 -5.845 9.648 1.00 13.15 O ATOM 251 NE2 GLN A 16 3.312 -7.086 9.392 1.00 32.33 N ATOM 0 H GLN A 16 8.077 -5.162 6.009 1.00 33.34 H new ATOM 0 HA GLN A 16 6.259 -7.136 5.208 1.00 52.12 H new ATOM 0 HB2 GLN A 16 6.853 -6.485 7.552 1.00 30.23 H new ATOM 0 HB3 GLN A 16 5.970 -4.986 7.342 1.00 30.23 H new ATOM 0 HG2 GLN A 16 3.898 -6.352 6.865 1.00 72.55 H new ATOM 0 HG3 GLN A 16 4.814 -7.792 7.265 1.00 72.55 H new ATOM 0 HE21 GLN A 16 2.722 -7.631 8.764 1.00 32.33 H new ATOM 0 HE22 GLN A 16 3.052 -6.980 10.373 1.00 32.33 H new ATOM 260 N ALA A 17 5.142 -4.035 4.894 1.00 5.41 N ATOM 261 CA ALA A 17 4.135 -3.217 4.231 1.00 14.43 C ATOM 262 C ALA A 17 4.066 -3.532 2.741 1.00 11.10 C ATOM 263 O ALA A 17 2.984 -3.726 2.188 1.00 32.31 O ATOM 264 CB ALA A 17 4.428 -1.740 4.448 1.00 41.23 C ATOM 0 H ALA A 17 5.822 -3.506 5.440 1.00 5.41 H new ATOM 0 HA ALA A 17 3.165 -3.452 4.670 1.00 14.43 H new ATOM 0 HB1 ALA A 17 3.668 -1.141 3.947 1.00 41.23 H new ATOM 0 HB2 ALA A 17 4.418 -1.520 5.516 1.00 41.23 H new ATOM 0 HB3 ALA A 17 5.408 -1.499 4.037 1.00 41.23 H new ATOM 270 N GLU A 18 5.227 -3.580 2.096 1.00 23.12 N ATOM 271 CA GLU A 18 5.296 -3.870 0.669 1.00 43.55 C ATOM 272 C GLU A 18 4.527 -5.144 0.335 1.00 55.53 C ATOM 273 O GLU A 18 3.783 -5.193 -0.644 1.00 71.32 O ATOM 274 CB GLU A 18 6.754 -4.010 0.224 1.00 53.31 C ATOM 275 CG GLU A 18 6.911 -4.577 -1.176 1.00 74.12 C ATOM 276 CD GLU A 18 7.465 -5.988 -1.176 1.00 32.31 C ATOM 277 OE1 GLU A 18 7.127 -6.758 -0.253 1.00 33.25 O ATOM 278 OE2 GLU A 18 8.235 -6.323 -2.099 1.00 72.05 O ATOM 0 H GLU A 18 6.132 -3.422 2.539 1.00 23.12 H new ATOM 0 HA GLU A 18 4.838 -3.039 0.133 1.00 43.55 H new ATOM 0 HB2 GLU A 18 7.234 -3.032 0.267 1.00 53.31 H new ATOM 0 HB3 GLU A 18 7.280 -4.654 0.929 1.00 53.31 H new ATOM 0 HG2 GLU A 18 5.943 -4.571 -1.677 1.00 74.12 H new ATOM 0 HG3 GLU A 18 7.573 -3.931 -1.753 1.00 74.12 H new ATOM 285 N ASN A 19 4.712 -6.172 1.155 1.00 32.41 N ATOM 286 CA ASN A 19 4.035 -7.448 0.947 1.00 62.42 C ATOM 287 C ASN A 19 2.526 -7.298 1.116 1.00 64.50 C ATOM 288 O ASN A 19 1.746 -7.907 0.384 1.00 30.12 O ATOM 289 CB ASN A 19 4.568 -8.498 1.924 1.00 12.22 C ATOM 290 CG ASN A 19 5.966 -8.964 1.566 1.00 1.41 C ATOM 291 OD1 ASN A 19 6.294 -9.133 0.392 1.00 50.04 O ATOM 292 ND2 ASN A 19 6.797 -9.174 2.580 1.00 63.10 N ATOM 0 H ASN A 19 5.325 -6.148 1.970 1.00 32.41 H new ATOM 0 HA ASN A 19 4.237 -7.776 -0.073 1.00 62.42 H new ATOM 0 HB2 ASN A 19 4.573 -8.083 2.932 1.00 12.22 H new ATOM 0 HB3 ASN A 19 3.894 -9.355 1.936 1.00 12.22 H new ATOM 0 HD21 ASN A 19 7.751 -9.488 2.401 1.00 63.10 H new ATOM 0 HD22 ASN A 19 6.482 -9.021 3.538 1.00 63.10 H new ATOM 299 N ILE A 20 2.124 -6.484 2.086 1.00 53.33 N ATOM 300 CA ILE A 20 0.710 -6.252 2.351 1.00 71.40 C ATOM 301 C ILE A 20 0.008 -5.676 1.125 1.00 5.34 C ATOM 302 O ILE A 20 -0.998 -6.214 0.663 1.00 32.41 O ATOM 303 CB ILE A 20 0.508 -5.297 3.541 1.00 11.12 C ATOM 304 CG1 ILE A 20 1.116 -5.895 4.812 1.00 13.44 C ATOM 305 CG2 ILE A 20 -0.971 -5.004 3.742 1.00 63.41 C ATOM 306 CD1 ILE A 20 1.328 -4.882 5.915 1.00 42.20 C ATOM 0 H ILE A 20 2.758 -5.974 2.701 1.00 53.33 H new ATOM 0 HA ILE A 20 0.273 -7.220 2.596 1.00 71.40 H new ATOM 0 HB ILE A 20 1.017 -4.358 3.324 1.00 11.12 H new ATOM 0 HG12 ILE A 20 0.464 -6.688 5.178 1.00 13.44 H new ATOM 0 HG13 ILE A 20 2.072 -6.357 4.565 1.00 13.44 H new ATOM 0 HG21 ILE A 20 -1.096 -4.327 4.587 1.00 63.41 H new ATOM 0 HG22 ILE A 20 -1.375 -4.540 2.843 1.00 63.41 H new ATOM 0 HG23 ILE A 20 -1.503 -5.935 3.940 1.00 63.41 H new ATOM 0 HD11 ILE A 20 1.761 -5.376 6.784 1.00 42.20 H new ATOM 0 HD12 ILE A 20 2.004 -4.101 5.567 1.00 42.20 H new ATOM 0 HD13 ILE A 20 0.371 -4.438 6.190 1.00 42.20 H new ATOM 318 N ILE A 21 0.547 -4.578 0.604 1.00 22.51 N ATOM 319 CA ILE A 21 -0.025 -3.931 -0.569 1.00 61.13 C ATOM 320 C ILE A 21 -0.252 -4.933 -1.696 1.00 2.11 C ATOM 321 O ILE A 21 -1.292 -4.920 -2.354 1.00 51.23 O ATOM 322 CB ILE A 21 0.879 -2.795 -1.082 1.00 21.12 C ATOM 323 CG1 ILE A 21 1.097 -1.751 0.015 1.00 34.14 C ATOM 324 CG2 ILE A 21 0.271 -2.152 -2.320 1.00 13.22 C ATOM 325 CD1 ILE A 21 2.174 -0.742 -0.315 1.00 31.55 C ATOM 0 H ILE A 21 1.378 -4.119 0.976 1.00 22.51 H new ATOM 0 HA ILE A 21 -0.983 -3.512 -0.261 1.00 61.13 H new ATOM 0 HB ILE A 21 1.847 -3.216 -1.353 1.00 21.12 H new ATOM 0 HG12 ILE A 21 0.160 -1.224 0.195 1.00 34.14 H new ATOM 0 HG13 ILE A 21 1.360 -2.260 0.942 1.00 34.14 H new ATOM 0 HG21 ILE A 21 0.922 -1.351 -2.671 1.00 13.22 H new ATOM 0 HG22 ILE A 21 0.164 -2.902 -3.104 1.00 13.22 H new ATOM 0 HG23 ILE A 21 -0.708 -1.742 -2.073 1.00 13.22 H new ATOM 0 HD11 ILE A 21 2.273 -0.034 0.507 1.00 31.55 H new ATOM 0 HD12 ILE A 21 3.122 -1.258 -0.466 1.00 31.55 H new ATOM 0 HD13 ILE A 21 1.904 -0.206 -1.225 1.00 31.55 H new ATOM 337 N THR A 22 0.729 -5.805 -1.911 1.00 2.22 N ATOM 338 CA THR A 22 0.638 -6.815 -2.957 1.00 63.40 C ATOM 339 C THR A 22 -0.612 -7.671 -2.787 1.00 21.14 C ATOM 340 O THR A 22 -1.162 -8.185 -3.761 1.00 40.53 O ATOM 341 CB THR A 22 1.876 -7.731 -2.964 1.00 2.44 C ATOM 342 OG1 THR A 22 3.055 -6.963 -2.699 1.00 41.52 O ATOM 343 CG2 THR A 22 2.018 -8.441 -4.302 1.00 33.32 C ATOM 0 H THR A 22 1.596 -5.831 -1.374 1.00 2.22 H new ATOM 0 HA THR A 22 0.585 -6.282 -3.906 1.00 63.40 H new ATOM 0 HB THR A 22 1.748 -8.482 -2.184 1.00 2.44 H new ATOM 0 HG1 THR A 22 3.838 -7.553 -2.703 1.00 41.52 H new ATOM 0 HG21 THR A 22 2.899 -9.082 -4.282 1.00 33.32 H new ATOM 0 HG22 THR A 22 1.132 -9.048 -4.488 1.00 33.32 H new ATOM 0 HG23 THR A 22 2.124 -7.702 -5.096 1.00 33.32 H new ATOM 351 N ASP A 23 -1.057 -7.820 -1.544 1.00 3.05 N ATOM 352 CA ASP A 23 -2.244 -8.613 -1.246 1.00 4.40 C ATOM 353 C ASP A 23 -3.468 -8.045 -1.957 1.00 61.12 C ATOM 354 O ASP A 23 -4.019 -8.672 -2.863 1.00 61.22 O ATOM 355 CB ASP A 23 -2.488 -8.656 0.263 1.00 70.01 C ATOM 356 CG ASP A 23 -3.528 -9.690 0.651 1.00 5.12 C ATOM 357 OD1 ASP A 23 -4.152 -10.273 -0.258 1.00 54.34 O ATOM 358 OD2 ASP A 23 -3.715 -9.915 1.865 1.00 32.10 O ATOM 0 H ASP A 23 -0.613 -7.402 -0.726 1.00 3.05 H new ATOM 0 HA ASP A 23 -2.075 -9.627 -1.607 1.00 4.40 H new ATOM 0 HB2 ASP A 23 -1.551 -8.878 0.774 1.00 70.01 H new ATOM 0 HB3 ASP A 23 -2.812 -7.673 0.604 1.00 70.01 H new ATOM 363 N LEU A 24 -3.891 -6.857 -1.539 1.00 65.33 N ATOM 364 CA LEU A 24 -5.052 -6.205 -2.135 1.00 24.23 C ATOM 365 C LEU A 24 -4.959 -6.214 -3.658 1.00 23.34 C ATOM 366 O LEU A 24 -5.910 -6.589 -4.345 1.00 51.12 O ATOM 367 CB LEU A 24 -5.168 -4.767 -1.628 1.00 54.41 C ATOM 368 CG LEU A 24 -5.424 -4.601 -0.130 1.00 42.21 C ATOM 369 CD1 LEU A 24 -5.715 -3.146 0.205 1.00 25.01 C ATOM 370 CD2 LEU A 24 -6.573 -5.493 0.317 1.00 12.10 C ATOM 0 H LEU A 24 -3.447 -6.326 -0.790 1.00 65.33 H new ATOM 0 HA LEU A 24 -5.942 -6.761 -1.841 1.00 24.23 H new ATOM 0 HB2 LEU A 24 -4.248 -4.239 -1.879 1.00 54.41 H new ATOM 0 HB3 LEU A 24 -5.976 -4.276 -2.171 1.00 54.41 H new ATOM 0 HG LEU A 24 -4.525 -4.903 0.408 1.00 42.21 H new ATOM 0 HD11 LEU A 24 -5.895 -3.048 1.276 1.00 25.01 H new ATOM 0 HD12 LEU A 24 -4.861 -2.530 -0.078 1.00 25.01 H new ATOM 0 HD13 LEU A 24 -6.598 -2.816 -0.343 1.00 25.01 H new ATOM 0 HD21 LEU A 24 -6.741 -5.362 1.386 1.00 12.10 H new ATOM 0 HD22 LEU A 24 -7.477 -5.222 -0.228 1.00 12.10 H new ATOM 0 HD23 LEU A 24 -6.325 -6.535 0.114 1.00 12.10 H new ATOM 382 N LEU A 25 -3.809 -5.801 -4.178 1.00 1.31 N ATOM 383 CA LEU A 25 -3.591 -5.764 -5.620 1.00 11.35 C ATOM 384 C LEU A 25 -3.851 -7.130 -6.246 1.00 34.41 C ATOM 385 O LEU A 25 -4.524 -7.236 -7.272 1.00 25.31 O ATOM 386 CB LEU A 25 -2.163 -5.313 -5.928 1.00 64.10 C ATOM 387 CG LEU A 25 -1.783 -3.910 -5.452 1.00 13.33 C ATOM 388 CD1 LEU A 25 -0.431 -3.502 -6.014 1.00 44.23 C ATOM 389 CD2 LEU A 25 -2.854 -2.904 -5.850 1.00 41.14 C ATOM 0 H LEU A 25 -3.013 -5.487 -3.623 1.00 1.31 H new ATOM 0 HA LEU A 25 -4.292 -5.049 -6.050 1.00 11.35 H new ATOM 0 HB2 LEU A 25 -1.473 -6.027 -5.478 1.00 64.10 H new ATOM 0 HB3 LEU A 25 -2.013 -5.362 -7.007 1.00 64.10 H new ATOM 0 HG LEU A 25 -1.711 -3.924 -4.364 1.00 13.33 H new ATOM 0 HD11 LEU A 25 -0.179 -2.501 -5.664 1.00 44.23 H new ATOM 0 HD12 LEU A 25 0.330 -4.206 -5.679 1.00 44.23 H new ATOM 0 HD13 LEU A 25 -0.474 -3.505 -7.103 1.00 44.23 H new ATOM 0 HD21 LEU A 25 -2.567 -1.911 -5.503 1.00 41.14 H new ATOM 0 HD22 LEU A 25 -2.958 -2.894 -6.935 1.00 41.14 H new ATOM 0 HD23 LEU A 25 -3.804 -3.186 -5.397 1.00 41.14 H new ATOM 401 N ASP A 26 -3.316 -8.173 -5.619 1.00 75.25 N ATOM 402 CA ASP A 26 -3.494 -9.534 -6.113 1.00 22.13 C ATOM 403 C ASP A 26 -4.968 -9.925 -6.109 1.00 60.54 C ATOM 404 O ASP A 26 -5.495 -10.409 -7.112 1.00 13.41 O ATOM 405 CB ASP A 26 -2.690 -10.517 -5.261 1.00 21.11 C ATOM 406 CG ASP A 26 -2.575 -11.884 -5.907 1.00 4.13 C ATOM 407 OD1 ASP A 26 -3.238 -12.110 -6.940 1.00 52.45 O ATOM 408 OD2 ASP A 26 -1.820 -12.726 -5.379 1.00 72.32 O ATOM 0 H ASP A 26 -2.756 -8.102 -4.769 1.00 75.25 H new ATOM 0 HA ASP A 26 -3.130 -9.573 -7.140 1.00 22.13 H new ATOM 0 HB2 ASP A 26 -1.692 -10.114 -5.091 1.00 21.11 H new ATOM 0 HB3 ASP A 26 -3.163 -10.619 -4.284 1.00 21.11 H new ATOM 413 N ASP A 27 -5.628 -9.716 -4.976 1.00 22.45 N ATOM 414 CA ASP A 27 -7.042 -10.047 -4.841 1.00 24.21 C ATOM 415 C ASP A 27 -7.883 -9.252 -5.833 1.00 41.13 C ATOM 416 O ASP A 27 -8.915 -9.727 -6.310 1.00 21.21 O ATOM 417 CB ASP A 27 -7.518 -9.773 -3.414 1.00 23.14 C ATOM 418 CG ASP A 27 -7.079 -10.848 -2.439 1.00 44.43 C ATOM 419 OD1 ASP A 27 -6.001 -11.440 -2.657 1.00 31.30 O ATOM 420 OD2 ASP A 27 -7.811 -11.097 -1.459 1.00 35.21 O ATOM 0 H ASP A 27 -5.206 -9.318 -4.137 1.00 22.45 H new ATOM 0 HA ASP A 27 -7.164 -11.108 -5.058 1.00 24.21 H new ATOM 0 HB2 ASP A 27 -7.132 -8.808 -3.084 1.00 23.14 H new ATOM 0 HB3 ASP A 27 -8.606 -9.701 -3.405 1.00 23.14 H new ATOM 425 N LEU A 28 -7.437 -8.039 -6.140 1.00 44.25 N ATOM 426 CA LEU A 28 -8.150 -7.176 -7.076 1.00 5.00 C ATOM 427 C LEU A 28 -8.055 -7.720 -8.498 1.00 53.21 C ATOM 428 O LEU A 28 -8.863 -7.375 -9.361 1.00 41.04 O ATOM 429 CB LEU A 28 -7.583 -5.755 -7.023 1.00 74.44 C ATOM 430 CG LEU A 28 -8.081 -4.878 -5.874 1.00 51.44 C ATOM 431 CD1 LEU A 28 -7.409 -3.514 -5.915 1.00 5.41 C ATOM 432 CD2 LEU A 28 -9.594 -4.730 -5.932 1.00 61.32 C ATOM 0 H LEU A 28 -6.585 -7.631 -5.755 1.00 44.25 H new ATOM 0 HA LEU A 28 -9.200 -7.153 -6.784 1.00 5.00 H new ATOM 0 HB2 LEU A 28 -6.497 -5.820 -6.960 1.00 74.44 H new ATOM 0 HB3 LEU A 28 -7.818 -5.256 -7.963 1.00 74.44 H new ATOM 0 HG LEU A 28 -7.819 -5.362 -4.933 1.00 51.44 H new ATOM 0 HD11 LEU A 28 -7.775 -2.903 -5.090 1.00 5.41 H new ATOM 0 HD12 LEU A 28 -6.330 -3.637 -5.824 1.00 5.41 H new ATOM 0 HD13 LEU A 28 -7.640 -3.023 -6.860 1.00 5.41 H new ATOM 0 HD21 LEU A 28 -9.930 -4.103 -5.106 1.00 61.32 H new ATOM 0 HD22 LEU A 28 -9.878 -4.269 -6.878 1.00 61.32 H new ATOM 0 HD23 LEU A 28 -10.059 -5.713 -5.854 1.00 61.32 H new ATOM 552 N SER A 36 -9.252 2.111 -11.304 1.00 15.11 N ATOM 553 CA SER A 36 -8.216 3.121 -11.478 1.00 41.35 C ATOM 554 C SER A 36 -7.495 3.393 -10.162 1.00 64.44 C ATOM 555 O SER A 36 -6.340 3.823 -10.150 1.00 63.52 O ATOM 556 CB SER A 36 -8.822 4.417 -12.017 1.00 55.44 C ATOM 557 OG SER A 36 -9.616 4.171 -13.165 1.00 72.22 O ATOM 0 HA SER A 36 -7.491 2.741 -12.198 1.00 41.35 H new ATOM 0 HB2 SER A 36 -9.431 4.886 -11.244 1.00 55.44 H new ATOM 0 HB3 SER A 36 -8.026 5.119 -12.265 1.00 55.44 H new ATOM 0 HG SER A 36 -9.920 3.239 -13.159 1.00 72.22 H new ATOM 563 N LEU A 37 -8.183 3.139 -9.055 1.00 14.43 N ATOM 564 CA LEU A 37 -7.610 3.356 -7.731 1.00 21.25 C ATOM 565 C LEU A 37 -6.336 2.537 -7.549 1.00 31.15 C ATOM 566 O LEU A 37 -5.406 2.960 -6.861 1.00 74.13 O ATOM 567 CB LEU A 37 -8.626 2.989 -6.647 1.00 60.41 C ATOM 568 CG LEU A 37 -8.622 3.869 -5.397 1.00 61.31 C ATOM 569 CD1 LEU A 37 -7.214 3.992 -4.836 1.00 40.31 C ATOM 570 CD2 LEU A 37 -9.194 5.244 -5.711 1.00 72.44 C ATOM 0 H LEU A 37 -9.139 2.782 -9.047 1.00 14.43 H new ATOM 0 HA LEU A 37 -7.357 4.412 -7.640 1.00 21.25 H new ATOM 0 HB2 LEU A 37 -9.623 3.021 -7.086 1.00 60.41 H new ATOM 0 HB3 LEU A 37 -8.445 1.958 -6.342 1.00 60.41 H new ATOM 0 HG LEU A 37 -9.252 3.398 -4.643 1.00 61.31 H new ATOM 0 HD11 LEU A 37 -7.230 4.622 -3.947 1.00 40.31 H new ATOM 0 HD12 LEU A 37 -6.839 3.003 -4.573 1.00 40.31 H new ATOM 0 HD13 LEU A 37 -6.561 4.440 -5.586 1.00 40.31 H new ATOM 0 HD21 LEU A 37 -9.183 5.857 -4.810 1.00 72.44 H new ATOM 0 HD22 LEU A 37 -8.590 5.722 -6.482 1.00 72.44 H new ATOM 0 HD23 LEU A 37 -10.219 5.139 -6.066 1.00 72.44 H new ATOM 582 N LYS A 38 -6.299 1.363 -8.170 1.00 54.22 N ATOM 583 CA LYS A 38 -5.139 0.485 -8.080 1.00 31.33 C ATOM 584 C LYS A 38 -3.858 1.241 -8.418 1.00 2.15 C ATOM 585 O LYS A 38 -2.773 0.882 -7.956 1.00 14.40 O ATOM 586 CB LYS A 38 -5.302 -0.709 -9.023 1.00 32.31 C ATOM 587 CG LYS A 38 -6.246 -1.776 -8.494 1.00 72.12 C ATOM 588 CD LYS A 38 -7.052 -2.412 -9.615 1.00 74.12 C ATOM 589 CE LYS A 38 -6.149 -3.076 -10.644 1.00 33.45 C ATOM 590 NZ LYS A 38 -5.880 -2.184 -11.804 1.00 14.43 N ATOM 0 H LYS A 38 -7.060 0.997 -8.742 1.00 54.22 H new ATOM 0 HA LYS A 38 -5.068 0.123 -7.054 1.00 31.33 H new ATOM 0 HB2 LYS A 38 -5.671 -0.354 -9.985 1.00 32.31 H new ATOM 0 HB3 LYS A 38 -4.324 -1.157 -9.202 1.00 32.31 H new ATOM 0 HG2 LYS A 38 -5.674 -2.545 -7.975 1.00 72.12 H new ATOM 0 HG3 LYS A 38 -6.923 -1.334 -7.763 1.00 72.12 H new ATOM 0 HD2 LYS A 38 -7.736 -3.152 -9.198 1.00 74.12 H new ATOM 0 HD3 LYS A 38 -7.663 -1.652 -10.102 1.00 74.12 H new ATOM 0 HE2 LYS A 38 -5.206 -3.354 -10.174 1.00 33.45 H new ATOM 0 HE3 LYS A 38 -6.614 -3.997 -10.995 1.00 33.45 H new ATOM 0 HZ1 LYS A 38 -5.696 -2.760 -12.650 1.00 14.43 H new ATOM 0 HZ2 LYS A 38 -6.706 -1.575 -11.973 1.00 14.43 H new ATOM 0 HZ3 LYS A 38 -5.049 -1.592 -11.601 1.00 14.43 H new ATOM 604 N LYS A 39 -3.989 2.289 -9.223 1.00 32.01 N ATOM 605 CA LYS A 39 -2.843 3.098 -9.620 1.00 73.04 C ATOM 606 C LYS A 39 -2.052 3.557 -8.401 1.00 5.11 C ATOM 607 O LYS A 39 -0.824 3.642 -8.440 1.00 41.43 O ATOM 608 CB LYS A 39 -3.305 4.313 -10.429 1.00 31.21 C ATOM 609 CG LYS A 39 -3.885 5.426 -9.574 1.00 71.12 C ATOM 610 CD LYS A 39 -4.282 6.626 -10.417 1.00 35.21 C ATOM 611 CE LYS A 39 -5.435 6.293 -11.353 1.00 44.22 C ATOM 612 NZ LYS A 39 -5.776 7.438 -12.242 1.00 11.45 N ATOM 0 H LYS A 39 -4.879 2.599 -9.614 1.00 32.01 H new ATOM 0 HA LYS A 39 -2.193 2.481 -10.241 1.00 73.04 H new ATOM 0 HB2 LYS A 39 -2.460 4.704 -10.996 1.00 31.21 H new ATOM 0 HB3 LYS A 39 -4.055 3.994 -11.153 1.00 31.21 H new ATOM 0 HG2 LYS A 39 -4.756 5.055 -9.034 1.00 71.12 H new ATOM 0 HG3 LYS A 39 -3.153 5.731 -8.826 1.00 71.12 H new ATOM 0 HD2 LYS A 39 -4.568 7.451 -9.765 1.00 35.21 H new ATOM 0 HD3 LYS A 39 -3.424 6.962 -11.000 1.00 35.21 H new ATOM 0 HE2 LYS A 39 -5.171 5.427 -11.961 1.00 44.22 H new ATOM 0 HE3 LYS A 39 -6.311 6.015 -10.766 1.00 44.22 H new ATOM 0 HZ1 LYS A 39 -6.566 7.171 -12.864 1.00 11.45 H new ATOM 0 HZ2 LYS A 39 -6.052 8.257 -11.663 1.00 11.45 H new ATOM 0 HZ3 LYS A 39 -4.948 7.687 -12.821 1.00 11.45 H new ATOM 626 N VAL A 40 -2.762 3.850 -7.315 1.00 55.24 N ATOM 627 CA VAL A 40 -2.125 4.298 -6.083 1.00 74.14 C ATOM 628 C VAL A 40 -1.318 3.175 -5.442 1.00 42.14 C ATOM 629 O VAL A 40 -0.093 3.255 -5.342 1.00 53.33 O ATOM 630 CB VAL A 40 -3.165 4.811 -5.069 1.00 74.12 C ATOM 631 CG1 VAL A 40 -2.545 4.938 -3.687 1.00 3.15 C ATOM 632 CG2 VAL A 40 -3.744 6.140 -5.527 1.00 15.20 C ATOM 0 H VAL A 40 -3.779 3.785 -7.264 1.00 55.24 H new ATOM 0 HA VAL A 40 -1.455 5.115 -6.351 1.00 74.14 H new ATOM 0 HB VAL A 40 -3.978 4.088 -5.011 1.00 74.12 H new ATOM 0 HG11 VAL A 40 -3.294 5.302 -2.984 1.00 3.15 H new ATOM 0 HG12 VAL A 40 -2.183 3.963 -3.360 1.00 3.15 H new ATOM 0 HG13 VAL A 40 -1.712 5.640 -3.725 1.00 3.15 H new ATOM 0 HG21 VAL A 40 -4.477 6.488 -4.799 1.00 15.20 H new ATOM 0 HG22 VAL A 40 -2.944 6.875 -5.615 1.00 15.20 H new ATOM 0 HG23 VAL A 40 -4.227 6.012 -6.496 1.00 15.20 H new ATOM 642 N LEU A 41 -2.012 2.128 -5.009 1.00 41.23 N ATOM 643 CA LEU A 41 -1.359 0.986 -4.378 1.00 44.32 C ATOM 644 C LEU A 41 -0.224 0.457 -5.249 1.00 4.22 C ATOM 645 O LEU A 41 0.879 0.208 -4.762 1.00 21.53 O ATOM 646 CB LEU A 41 -2.375 -0.126 -4.115 1.00 71.25 C ATOM 647 CG LEU A 41 -3.258 0.049 -2.879 1.00 61.33 C ATOM 648 CD1 LEU A 41 -2.404 0.175 -1.627 1.00 50.13 C ATOM 649 CD2 LEU A 41 -4.161 1.264 -3.037 1.00 2.24 C ATOM 0 H LEU A 41 -3.026 2.046 -5.083 1.00 41.23 H new ATOM 0 HA LEU A 41 -0.939 1.319 -3.429 1.00 44.32 H new ATOM 0 HB2 LEU A 41 -3.021 -0.214 -4.989 1.00 71.25 H new ATOM 0 HB3 LEU A 41 -1.836 -1.068 -4.021 1.00 71.25 H new ATOM 0 HG LEU A 41 -3.887 -0.835 -2.777 1.00 61.33 H new ATOM 0 HD11 LEU A 41 -3.049 0.299 -0.757 1.00 50.13 H new ATOM 0 HD12 LEU A 41 -1.801 -0.725 -1.506 1.00 50.13 H new ATOM 0 HD13 LEU A 41 -1.749 1.041 -1.719 1.00 50.13 H new ATOM 0 HD21 LEU A 41 -4.783 1.373 -2.148 1.00 2.24 H new ATOM 0 HD22 LEU A 41 -3.550 2.157 -3.165 1.00 2.24 H new ATOM 0 HD23 LEU A 41 -4.798 1.132 -3.911 1.00 2.24 H new ATOM 661 N GLU A 42 -0.501 0.293 -6.538 1.00 3.21 N ATOM 662 CA GLU A 42 0.499 -0.205 -7.477 1.00 3.35 C ATOM 663 C GLU A 42 1.729 0.699 -7.490 1.00 73.04 C ATOM 664 O GLU A 42 2.852 0.240 -7.287 1.00 11.11 O ATOM 665 CB GLU A 42 -0.093 -0.300 -8.884 1.00 71.40 C ATOM 666 CG GLU A 42 -1.012 -1.495 -9.077 1.00 20.24 C ATOM 667 CD GLU A 42 -0.858 -2.135 -10.443 1.00 2.41 C ATOM 668 OE1 GLU A 42 -1.204 -1.479 -11.448 1.00 4.40 O ATOM 669 OE2 GLU A 42 -0.391 -3.291 -10.507 1.00 32.22 O ATOM 0 H GLU A 42 -1.408 0.497 -6.957 1.00 3.21 H new ATOM 0 HA GLU A 42 0.803 -1.200 -7.152 1.00 3.35 H new ATOM 0 HB2 GLU A 42 -0.648 0.613 -9.098 1.00 71.40 H new ATOM 0 HB3 GLU A 42 0.720 -0.356 -9.608 1.00 71.40 H new ATOM 0 HG2 GLU A 42 -0.803 -2.237 -8.307 1.00 20.24 H new ATOM 0 HG3 GLU A 42 -2.046 -1.179 -8.943 1.00 20.24 H new ATOM 676 N ASN A 43 1.506 1.987 -7.733 1.00 42.10 N ATOM 677 CA ASN A 43 2.596 2.956 -7.776 1.00 30.12 C ATOM 678 C ASN A 43 3.395 2.932 -6.476 1.00 43.32 C ATOM 679 O ASN A 43 4.583 2.607 -6.473 1.00 3.54 O ATOM 680 CB ASN A 43 2.047 4.362 -8.024 1.00 12.14 C ATOM 681 CG ASN A 43 1.842 4.651 -9.499 1.00 23.51 C ATOM 682 OD1 ASN A 43 2.197 5.723 -9.987 1.00 41.22 O ATOM 683 ND2 ASN A 43 1.267 3.692 -10.215 1.00 34.32 N ATOM 0 H ASN A 43 0.582 2.384 -7.903 1.00 42.10 H new ATOM 0 HA ASN A 43 3.260 2.683 -8.596 1.00 30.12 H new ATOM 0 HB2 ASN A 43 1.099 4.477 -7.499 1.00 12.14 H new ATOM 0 HB3 ASN A 43 2.734 5.097 -7.605 1.00 12.14 H new ATOM 0 HD21 ASN A 43 1.103 3.829 -11.212 1.00 34.32 H new ATOM 0 HD22 ASN A 43 0.989 2.819 -9.768 1.00 34.32 H new ATOM 690 N TYR A 44 2.736 3.277 -5.377 1.00 1.43 N ATOM 691 CA TYR A 44 3.385 3.298 -4.071 1.00 45.22 C ATOM 692 C TYR A 44 4.103 1.980 -3.798 1.00 71.33 C ATOM 693 O TYR A 44 5.238 1.963 -3.320 1.00 74.32 O ATOM 694 CB TYR A 44 2.358 3.569 -2.971 1.00 51.41 C ATOM 695 CG TYR A 44 2.036 5.035 -2.792 1.00 14.13 C ATOM 696 CD1 TYR A 44 3.047 5.983 -2.691 1.00 33.40 C ATOM 697 CD2 TYR A 44 0.718 5.474 -2.725 1.00 62.35 C ATOM 698 CE1 TYR A 44 2.756 7.323 -2.526 1.00 4.00 C ATOM 699 CE2 TYR A 44 0.418 6.812 -2.563 1.00 41.22 C ATOM 700 CZ TYR A 44 1.441 7.733 -2.463 1.00 51.34 C ATOM 701 OH TYR A 44 1.147 9.068 -2.301 1.00 71.40 O ATOM 0 H TYR A 44 1.752 3.546 -5.363 1.00 1.43 H new ATOM 0 HA TYR A 44 4.124 4.100 -4.074 1.00 45.22 H new ATOM 0 HB2 TYR A 44 1.440 3.029 -3.202 1.00 51.41 H new ATOM 0 HB3 TYR A 44 2.734 3.170 -2.029 1.00 51.41 H new ATOM 0 HD1 TYR A 44 4.078 5.666 -2.742 1.00 33.40 H new ATOM 0 HD2 TYR A 44 -0.085 4.756 -2.801 1.00 62.35 H new ATOM 0 HE1 TYR A 44 3.554 8.046 -2.447 1.00 4.00 H new ATOM 0 HE2 TYR A 44 -0.611 7.136 -2.515 1.00 41.22 H new ATOM 0 HH TYR A 44 0.175 9.188 -2.277 1.00 71.40 H new ATOM 711 N LEU A 45 3.433 0.875 -4.108 1.00 70.14 N ATOM 712 CA LEU A 45 4.005 -0.451 -3.898 1.00 52.20 C ATOM 713 C LEU A 45 5.411 -0.537 -4.484 1.00 12.32 C ATOM 714 O LEU A 45 6.364 -0.880 -3.786 1.00 72.21 O ATOM 715 CB LEU A 45 3.111 -1.519 -4.529 1.00 60.04 C ATOM 716 CG LEU A 45 3.695 -2.931 -4.593 1.00 31.05 C ATOM 717 CD1 LEU A 45 4.571 -3.092 -5.826 1.00 12.15 C ATOM 718 CD2 LEU A 45 4.487 -3.238 -3.330 1.00 74.00 C ATOM 0 H LEU A 45 2.494 0.871 -4.505 1.00 70.14 H new ATOM 0 HA LEU A 45 4.068 -0.627 -2.824 1.00 52.20 H new ATOM 0 HB2 LEU A 45 2.176 -1.559 -3.969 1.00 60.04 H new ATOM 0 HB3 LEU A 45 2.862 -1.204 -5.542 1.00 60.04 H new ATOM 0 HG LEU A 45 2.871 -3.641 -4.663 1.00 31.05 H new ATOM 0 HD11 LEU A 45 4.977 -4.103 -5.854 1.00 12.15 H new ATOM 0 HD12 LEU A 45 3.975 -2.916 -6.721 1.00 12.15 H new ATOM 0 HD13 LEU A 45 5.389 -2.373 -5.787 1.00 12.15 H new ATOM 0 HD21 LEU A 45 4.895 -4.247 -3.393 1.00 74.00 H new ATOM 0 HD22 LEU A 45 5.303 -2.522 -3.229 1.00 74.00 H new ATOM 0 HD23 LEU A 45 3.831 -3.165 -2.463 1.00 74.00 H new ATOM 730 N GLU A 46 5.531 -0.220 -5.770 1.00 1.41 N ATOM 731 CA GLU A 46 6.821 -0.260 -6.449 1.00 23.42 C ATOM 732 C GLU A 46 7.766 0.795 -5.882 1.00 63.32 C ATOM 733 O GLU A 46 8.975 0.579 -5.800 1.00 52.21 O ATOM 734 CB GLU A 46 6.638 -0.043 -7.952 1.00 52.44 C ATOM 735 CG GLU A 46 6.538 -1.334 -8.746 1.00 33.42 C ATOM 736 CD GLU A 46 5.103 -1.724 -9.048 1.00 45.45 C ATOM 737 OE1 GLU A 46 4.310 -0.831 -9.413 1.00 21.20 O ATOM 738 OE2 GLU A 46 4.775 -2.922 -8.920 1.00 13.50 O ATOM 0 H GLU A 46 4.751 0.067 -6.362 1.00 1.41 H new ATOM 0 HA GLU A 46 7.261 -1.243 -6.283 1.00 23.42 H new ATOM 0 HB2 GLU A 46 5.736 0.546 -8.118 1.00 52.44 H new ATOM 0 HB3 GLU A 46 7.476 0.542 -8.331 1.00 52.44 H new ATOM 0 HG2 GLU A 46 7.085 -1.224 -9.682 1.00 33.42 H new ATOM 0 HG3 GLU A 46 7.019 -2.137 -8.188 1.00 33.42 H new ATOM 745 N GLU A 47 7.207 1.936 -5.493 1.00 72.33 N ATOM 746 CA GLU A 47 8.000 3.025 -4.936 1.00 63.12 C ATOM 747 C GLU A 47 8.792 2.554 -3.720 1.00 72.20 C ATOM 748 O GLU A 47 9.892 3.040 -3.454 1.00 40.33 O ATOM 749 CB GLU A 47 7.097 4.197 -4.548 1.00 34.34 C ATOM 750 CG GLU A 47 6.331 4.790 -5.719 1.00 4.13 C ATOM 751 CD GLU A 47 6.930 6.096 -6.205 1.00 3.33 C ATOM 752 OE1 GLU A 47 6.969 7.063 -5.415 1.00 75.54 O ATOM 753 OE2 GLU A 47 7.360 6.152 -7.376 1.00 62.44 O ATOM 0 H GLU A 47 6.208 2.130 -5.553 1.00 72.33 H new ATOM 0 HA GLU A 47 8.703 3.356 -5.700 1.00 63.12 H new ATOM 0 HB2 GLU A 47 6.386 3.862 -3.792 1.00 34.34 H new ATOM 0 HB3 GLU A 47 7.705 4.977 -4.090 1.00 34.34 H new ATOM 0 HG2 GLU A 47 6.317 4.073 -6.540 1.00 4.13 H new ATOM 0 HG3 GLU A 47 5.295 4.957 -5.424 1.00 4.13 H new ATOM 760 N LEU A 48 8.224 1.605 -2.982 1.00 41.34 N ATOM 761 CA LEU A 48 8.876 1.068 -1.793 1.00 52.12 C ATOM 762 C LEU A 48 10.224 0.447 -2.145 1.00 32.04 C ATOM 763 O LEU A 48 11.161 0.478 -1.347 1.00 3.13 O ATOM 764 CB LEU A 48 7.980 0.025 -1.124 1.00 32.23 C ATOM 765 CG LEU A 48 6.778 0.570 -0.350 1.00 64.55 C ATOM 766 CD1 LEU A 48 5.534 -0.251 -0.652 1.00 34.34 C ATOM 767 CD2 LEU A 48 7.065 0.577 1.144 1.00 45.52 C ATOM 0 H LEU A 48 7.314 1.192 -3.187 1.00 41.34 H new ATOM 0 HA LEU A 48 9.046 1.891 -1.099 1.00 52.12 H new ATOM 0 HB2 LEU A 48 7.614 -0.656 -1.892 1.00 32.23 H new ATOM 0 HB3 LEU A 48 8.591 -0.564 -0.440 1.00 32.23 H new ATOM 0 HG LEU A 48 6.598 1.596 -0.670 1.00 64.55 H new ATOM 0 HD11 LEU A 48 4.689 0.150 -0.093 1.00 34.34 H new ATOM 0 HD12 LEU A 48 5.318 -0.205 -1.719 1.00 34.34 H new ATOM 0 HD13 LEU A 48 5.702 -1.288 -0.360 1.00 34.34 H new ATOM 0 HD21 LEU A 48 6.199 0.968 1.679 1.00 45.52 H new ATOM 0 HD22 LEU A 48 7.271 -0.439 1.480 1.00 45.52 H new ATOM 0 HD23 LEU A 48 7.931 1.208 1.345 1.00 45.52 H new ATOM 779 N LYS A 49 10.316 -0.116 -3.345 1.00 73.42 N ATOM 780 CA LYS A 49 11.549 -0.742 -3.805 1.00 63.30 C ATOM 781 C LYS A 49 12.547 0.309 -4.280 1.00 65.54 C ATOM 782 O LYS A 49 13.759 0.110 -4.189 1.00 44.14 O ATOM 783 CB LYS A 49 11.253 -1.729 -4.937 1.00 0.44 C ATOM 784 CG LYS A 49 10.505 -2.970 -4.482 1.00 21.33 C ATOM 785 CD LYS A 49 9.022 -2.694 -4.306 1.00 33.21 C ATOM 786 CE LYS A 49 8.172 -3.756 -4.987 1.00 14.44 C ATOM 787 NZ LYS A 49 8.594 -5.132 -4.607 1.00 3.33 N ATOM 0 H LYS A 49 9.550 -0.151 -4.017 1.00 73.42 H new ATOM 0 HA LYS A 49 11.988 -1.282 -2.966 1.00 63.30 H new ATOM 0 HB2 LYS A 49 10.668 -1.223 -5.705 1.00 0.44 H new ATOM 0 HB3 LYS A 49 12.193 -2.031 -5.400 1.00 0.44 H new ATOM 0 HG2 LYS A 49 10.643 -3.767 -5.212 1.00 21.33 H new ATOM 0 HG3 LYS A 49 10.924 -3.324 -3.540 1.00 21.33 H new ATOM 0 HD2 LYS A 49 8.781 -2.660 -3.244 1.00 33.21 H new ATOM 0 HD3 LYS A 49 8.782 -1.714 -4.719 1.00 33.21 H new ATOM 0 HE2 LYS A 49 7.126 -3.610 -4.719 1.00 14.44 H new ATOM 0 HE3 LYS A 49 8.243 -3.640 -6.068 1.00 14.44 H new ATOM 0 HZ1 LYS A 49 7.893 -5.818 -4.952 1.00 3.33 H new ATOM 0 HZ2 LYS A 49 9.520 -5.341 -5.031 1.00 3.33 H new ATOM 0 HZ3 LYS A 49 8.664 -5.200 -3.572 1.00 3.33 H new ATOM 801 N GLN A 50 12.032 1.424 -4.784 1.00 33.23 N ATOM 802 CA GLN A 50 12.879 2.506 -5.272 1.00 31.51 C ATOM 803 C GLN A 50 13.433 3.328 -4.113 1.00 34.42 C ATOM 804 O GLN A 50 12.857 3.354 -3.025 1.00 40.13 O ATOM 805 CB GLN A 50 12.093 3.409 -6.224 1.00 61.55 C ATOM 806 CG GLN A 50 11.340 2.646 -7.303 1.00 34.52 C ATOM 807 CD GLN A 50 12.256 1.805 -8.171 1.00 32.01 C ATOM 808 OE1 GLN A 50 13.456 2.067 -8.263 1.00 14.13 O ATOM 809 NE2 GLN A 50 11.693 0.789 -8.814 1.00 10.11 N ATOM 0 H GLN A 50 11.031 1.603 -4.866 1.00 33.23 H new ATOM 0 HA GLN A 50 13.716 2.063 -5.812 1.00 31.51 H new ATOM 0 HB2 GLN A 50 11.383 4.001 -5.647 1.00 61.55 H new ATOM 0 HB3 GLN A 50 12.781 4.109 -6.698 1.00 61.55 H new ATOM 0 HG2 GLN A 50 10.596 2.001 -6.835 1.00 34.52 H new ATOM 0 HG3 GLN A 50 10.798 3.353 -7.932 1.00 34.52 H new ATOM 0 HE21 GLN A 50 10.695 0.609 -8.708 1.00 10.11 H new ATOM 0 HE22 GLN A 50 12.259 0.188 -9.414 1.00 10.11 H new ATOM 818 N LYS A 51 14.554 4.000 -4.354 1.00 11.11 N ATOM 819 CA LYS A 51 15.186 4.825 -3.331 1.00 51.44 C ATOM 820 C LYS A 51 14.692 6.266 -3.413 1.00 3.12 C ATOM 821 O LYS A 51 15.280 7.168 -2.816 1.00 53.31 O ATOM 822 CB LYS A 51 16.708 4.787 -3.485 1.00 42.44 C ATOM 823 CG LYS A 51 17.204 5.417 -4.776 1.00 5.04 C ATOM 824 CD LYS A 51 18.705 5.651 -4.740 1.00 63.12 C ATOM 825 CE LYS A 51 19.473 4.418 -5.192 1.00 20.12 C ATOM 826 NZ LYS A 51 19.700 3.464 -4.072 1.00 31.22 N ATOM 0 H LYS A 51 15.043 3.989 -5.249 1.00 11.11 H new ATOM 0 HA LYS A 51 14.915 4.421 -2.355 1.00 51.44 H new ATOM 0 HB2 LYS A 51 17.163 5.303 -2.640 1.00 42.44 H new ATOM 0 HB3 LYS A 51 17.043 3.751 -3.444 1.00 42.44 H new ATOM 0 HG2 LYS A 51 16.956 4.770 -5.617 1.00 5.04 H new ATOM 0 HG3 LYS A 51 16.691 6.364 -4.941 1.00 5.04 H new ATOM 0 HD2 LYS A 51 18.958 6.494 -5.382 1.00 63.12 H new ATOM 0 HD3 LYS A 51 19.008 5.919 -3.728 1.00 63.12 H new ATOM 0 HE2 LYS A 51 18.921 3.918 -5.988 1.00 20.12 H new ATOM 0 HE3 LYS A 51 20.433 4.721 -5.611 1.00 20.12 H new ATOM 0 HZ1 LYS A 51 20.633 3.017 -4.180 1.00 31.22 H new ATOM 0 HZ2 LYS A 51 19.664 3.976 -3.167 1.00 31.22 H new ATOM 0 HZ3 LYS A 51 18.962 2.732 -4.085 1.00 31.22 H new ATOM 840 N SER A 52 13.609 6.474 -4.154 1.00 72.34 N ATOM 841 CA SER A 52 13.037 7.806 -4.315 1.00 1.22 C ATOM 842 C SER A 52 12.096 8.136 -3.161 1.00 12.24 C ATOM 843 O SER A 52 11.549 9.236 -3.087 1.00 71.20 O ATOM 844 CB SER A 52 12.286 7.905 -5.644 1.00 23.02 C ATOM 845 OG SER A 52 12.164 9.253 -6.062 1.00 42.22 O ATOM 0 H SER A 52 13.110 5.737 -4.653 1.00 72.34 H new ATOM 0 HA SER A 52 13.854 8.528 -4.313 1.00 1.22 H new ATOM 0 HB2 SER A 52 12.813 7.331 -6.406 1.00 23.02 H new ATOM 0 HB3 SER A 52 11.295 7.462 -5.539 1.00 23.02 H new ATOM 0 HG SER A 52 11.917 9.812 -5.296 1.00 42.22 H new ATOM 851 N ALA A 53 11.913 7.176 -2.261 1.00 72.12 N ATOM 852 CA ALA A 53 11.041 7.364 -1.109 1.00 11.13 C ATOM 853 C ALA A 53 11.286 6.291 -0.053 1.00 12.42 C ATOM 854 O ALA A 53 11.443 5.114 -0.375 1.00 45.13 O ATOM 855 CB ALA A 53 9.583 7.355 -1.544 1.00 33.51 C ATOM 0 H ALA A 53 12.358 6.259 -2.308 1.00 72.12 H new ATOM 0 HA ALA A 53 11.271 8.333 -0.665 1.00 11.13 H new ATOM 0 HB1 ALA A 53 8.943 7.496 -0.673 1.00 33.51 H new ATOM 0 HB2 ALA A 53 9.411 8.162 -2.256 1.00 33.51 H new ATOM 0 HB3 ALA A 53 9.350 6.400 -2.015 1.00 33.51 H new ATOM 861 N SER A 54 11.318 6.706 1.209 1.00 22.12 N ATOM 862 CA SER A 54 11.549 5.781 2.313 1.00 52.22 C ATOM 863 C SER A 54 10.296 4.961 2.606 1.00 14.40 C ATOM 864 O SER A 54 9.183 5.363 2.265 1.00 0.50 O ATOM 865 CB SER A 54 11.977 6.546 3.567 1.00 62.05 C ATOM 866 OG SER A 54 13.156 7.296 3.329 1.00 64.24 O ATOM 0 H SER A 54 11.187 7.677 1.493 1.00 22.12 H new ATOM 0 HA SER A 54 12.348 5.099 2.022 1.00 52.22 H new ATOM 0 HB2 SER A 54 11.175 7.214 3.881 1.00 62.05 H new ATOM 0 HB3 SER A 54 12.147 5.845 4.384 1.00 62.05 H new ATOM 0 HG SER A 54 13.408 7.777 4.145 1.00 64.24 H new ATOM 872 N VAL A 55 10.486 3.810 3.242 1.00 75.12 N ATOM 873 CA VAL A 55 9.371 2.933 3.582 1.00 20.35 C ATOM 874 C VAL A 55 8.273 3.698 4.313 1.00 52.45 C ATOM 875 O VAL A 55 7.119 3.737 3.884 1.00 21.41 O ATOM 876 CB VAL A 55 9.833 1.756 4.462 1.00 22.43 C ATOM 877 CG1 VAL A 55 8.715 1.318 5.397 1.00 4.02 C ATOM 878 CG2 VAL A 55 10.301 0.595 3.597 1.00 55.41 C ATOM 0 H VAL A 55 11.400 3.463 3.532 1.00 75.12 H new ATOM 0 HA VAL A 55 8.976 2.544 2.644 1.00 20.35 H new ATOM 0 HB VAL A 55 10.674 2.088 5.070 1.00 22.43 H new ATOM 0 HG11 VAL A 55 9.059 0.486 6.011 1.00 4.02 H new ATOM 0 HG12 VAL A 55 8.432 2.151 6.041 1.00 4.02 H new ATOM 0 HG13 VAL A 55 7.852 1.003 4.810 1.00 4.02 H new ATOM 0 HG21 VAL A 55 10.624 -0.227 4.235 1.00 55.41 H new ATOM 0 HG22 VAL A 55 9.481 0.261 2.962 1.00 55.41 H new ATOM 0 HG23 VAL A 55 11.134 0.919 2.973 1.00 55.41 H new ATOM 888 N PRO A 56 8.638 4.324 5.442 1.00 41.15 N ATOM 889 CA PRO A 56 7.698 5.102 6.254 1.00 1.32 C ATOM 890 C PRO A 56 7.263 6.390 5.564 1.00 32.10 C ATOM 891 O PRO A 56 6.270 7.009 5.951 1.00 4.50 O ATOM 892 CB PRO A 56 8.501 5.418 7.519 1.00 35.43 C ATOM 893 CG PRO A 56 9.925 5.370 7.086 1.00 21.41 C ATOM 894 CD PRO A 56 9.996 4.321 6.010 1.00 13.54 C ATOM 0 HA PRO A 56 6.774 4.556 6.443 1.00 1.32 H new ATOM 0 HB2 PRO A 56 8.241 6.399 7.918 1.00 35.43 H new ATOM 0 HB3 PRO A 56 8.302 4.691 8.306 1.00 35.43 H new ATOM 0 HG2 PRO A 56 10.251 6.339 6.708 1.00 21.41 H new ATOM 0 HG3 PRO A 56 10.578 5.117 7.921 1.00 21.41 H new ATOM 0 HD2 PRO A 56 10.747 4.566 5.259 1.00 13.54 H new ATOM 0 HD3 PRO A 56 10.259 3.345 6.417 1.00 13.54 H new ATOM 902 N LEU A 57 8.010 6.789 4.541 1.00 10.51 N ATOM 903 CA LEU A 57 7.701 8.005 3.796 1.00 61.24 C ATOM 904 C LEU A 57 6.625 7.742 2.747 1.00 12.24 C ATOM 905 O LEU A 57 5.907 8.655 2.338 1.00 11.03 O ATOM 906 CB LEU A 57 8.963 8.550 3.123 1.00 31.51 C ATOM 907 CG LEU A 57 9.844 9.454 3.984 1.00 3.44 C ATOM 908 CD1 LEU A 57 11.101 9.853 3.226 1.00 53.55 C ATOM 909 CD2 LEU A 57 9.072 10.688 4.426 1.00 24.23 C ATOM 0 H LEU A 57 8.834 6.289 4.208 1.00 10.51 H new ATOM 0 HA LEU A 57 7.323 8.747 4.500 1.00 61.24 H new ATOM 0 HB2 LEU A 57 9.564 7.706 2.785 1.00 31.51 H new ATOM 0 HB3 LEU A 57 8.665 9.106 2.234 1.00 31.51 H new ATOM 0 HG LEU A 57 10.141 8.898 4.873 1.00 3.44 H new ATOM 0 HD11 LEU A 57 11.716 10.497 3.855 1.00 53.55 H new ATOM 0 HD12 LEU A 57 11.665 8.959 2.960 1.00 53.55 H new ATOM 0 HD13 LEU A 57 10.824 10.390 2.319 1.00 53.55 H new ATOM 0 HD21 LEU A 57 9.716 11.320 5.038 1.00 24.23 H new ATOM 0 HD22 LEU A 57 8.744 11.246 3.549 1.00 24.23 H new ATOM 0 HD23 LEU A 57 8.202 10.384 5.008 1.00 24.23 H new ATOM 921 N ILE A 58 6.518 6.489 2.318 1.00 42.21 N ATOM 922 CA ILE A 58 5.527 6.106 1.320 1.00 40.51 C ATOM 923 C ILE A 58 4.234 5.640 1.980 1.00 64.50 C ATOM 924 O ILE A 58 3.140 6.046 1.584 1.00 71.04 O ATOM 925 CB ILE A 58 6.055 4.987 0.404 1.00 63.15 C ATOM 926 CG1 ILE A 58 7.309 5.454 -0.339 1.00 23.43 C ATOM 927 CG2 ILE A 58 4.978 4.558 -0.582 1.00 24.41 C ATOM 928 CD1 ILE A 58 8.183 4.319 -0.822 1.00 71.33 C ATOM 0 H ILE A 58 7.105 5.722 2.646 1.00 42.21 H new ATOM 0 HA ILE A 58 5.326 6.992 0.718 1.00 40.51 H new ATOM 0 HB ILE A 58 6.320 4.128 1.020 1.00 63.15 H new ATOM 0 HG12 ILE A 58 7.010 6.061 -1.194 1.00 23.43 H new ATOM 0 HG13 ILE A 58 7.893 6.097 0.319 1.00 23.43 H new ATOM 0 HG21 ILE A 58 5.366 3.766 -1.223 1.00 24.41 H new ATOM 0 HG22 ILE A 58 4.110 4.190 -0.035 1.00 24.41 H new ATOM 0 HG23 ILE A 58 4.686 5.410 -1.195 1.00 24.41 H new ATOM 0 HD11 ILE A 58 9.053 4.724 -1.339 1.00 71.33 H new ATOM 0 HD12 ILE A 58 8.512 3.725 0.031 1.00 71.33 H new ATOM 0 HD13 ILE A 58 7.615 3.688 -1.506 1.00 71.33 H new ATOM 940 N LEU A 59 4.365 4.786 2.989 1.00 1.42 N ATOM 941 CA LEU A 59 3.207 4.266 3.707 1.00 72.55 C ATOM 942 C LEU A 59 2.381 5.400 4.304 1.00 74.13 C ATOM 943 O LEU A 59 1.156 5.313 4.385 1.00 30.32 O ATOM 944 CB LEU A 59 3.656 3.309 4.813 1.00 53.43 C ATOM 945 CG LEU A 59 4.378 2.042 4.353 1.00 4.40 C ATOM 946 CD1 LEU A 59 4.920 1.273 5.548 1.00 73.03 C ATOM 947 CD2 LEU A 59 3.446 1.166 3.530 1.00 42.33 C ATOM 0 H LEU A 59 5.262 4.439 3.328 1.00 1.42 H new ATOM 0 HA LEU A 59 2.584 3.724 2.996 1.00 72.55 H new ATOM 0 HB2 LEU A 59 4.314 3.852 5.491 1.00 53.43 H new ATOM 0 HB3 LEU A 59 2.779 3.014 5.389 1.00 53.43 H new ATOM 0 HG LEU A 59 5.219 2.334 3.724 1.00 4.40 H new ATOM 0 HD11 LEU A 59 5.431 0.375 5.201 1.00 73.03 H new ATOM 0 HD12 LEU A 59 5.622 1.901 6.096 1.00 73.03 H new ATOM 0 HD13 LEU A 59 4.096 0.992 6.204 1.00 73.03 H new ATOM 0 HD21 LEU A 59 3.977 0.269 3.211 1.00 42.33 H new ATOM 0 HD22 LEU A 59 2.585 0.882 4.135 1.00 42.33 H new ATOM 0 HD23 LEU A 59 3.108 1.718 2.653 1.00 42.33 H new ATOM 959 N SER A 60 3.060 6.466 4.718 1.00 72.34 N ATOM 960 CA SER A 60 2.389 7.617 5.308 1.00 11.44 C ATOM 961 C SER A 60 1.497 8.311 4.283 1.00 12.24 C ATOM 962 O SER A 60 0.317 8.555 4.535 1.00 15.44 O ATOM 963 CB SER A 60 3.418 8.607 5.858 1.00 64.51 C ATOM 964 OG SER A 60 2.807 9.838 6.204 1.00 2.25 O ATOM 0 H SER A 60 4.074 6.555 4.655 1.00 72.34 H new ATOM 0 HA SER A 60 1.763 7.261 6.126 1.00 11.44 H new ATOM 0 HB2 SER A 60 3.905 8.180 6.735 1.00 64.51 H new ATOM 0 HB3 SER A 60 4.195 8.780 5.114 1.00 64.51 H new ATOM 0 HG SER A 60 3.485 10.453 6.554 1.00 2.25 H new ATOM 970 N ARG A 61 2.069 8.625 3.126 1.00 43.23 N ATOM 971 CA ARG A 61 1.328 9.292 2.062 1.00 1.45 C ATOM 972 C ARG A 61 0.280 8.360 1.463 1.00 33.44 C ATOM 973 O ARG A 61 -0.794 8.798 1.053 1.00 14.44 O ATOM 974 CB ARG A 61 2.284 9.772 0.969 1.00 24.20 C ATOM 975 CG ARG A 61 2.682 11.233 1.106 1.00 53.24 C ATOM 976 CD ARG A 61 3.954 11.389 1.922 1.00 43.45 C ATOM 977 NE ARG A 61 4.674 12.616 1.585 1.00 74.43 N ATOM 978 CZ ARG A 61 5.421 12.754 0.495 1.00 60.31 C ATOM 979 NH1 ARG A 61 5.547 11.746 -0.358 1.00 12.33 N ATOM 980 NH2 ARG A 61 6.044 13.900 0.258 1.00 3.13 N ATOM 0 H ARG A 61 3.044 8.428 2.901 1.00 43.23 H new ATOM 0 HA ARG A 61 0.819 10.154 2.493 1.00 1.45 H new ATOM 0 HB2 ARG A 61 3.183 9.156 0.988 1.00 24.20 H new ATOM 0 HB3 ARG A 61 1.815 9.622 -0.004 1.00 24.20 H new ATOM 0 HG2 ARG A 61 2.828 11.666 0.116 1.00 53.24 H new ATOM 0 HG3 ARG A 61 1.873 11.789 1.581 1.00 53.24 H new ATOM 0 HD2 ARG A 61 3.705 11.394 2.983 1.00 43.45 H new ATOM 0 HD3 ARG A 61 4.602 10.530 1.751 1.00 43.45 H new ATOM 0 HE ARG A 61 4.599 13.409 2.222 1.00 74.43 H new ATOM 0 HH11 ARG A 61 5.070 10.863 -0.178 1.00 12.33 H new ATOM 0 HH12 ARG A 61 6.121 11.854 -1.194 1.00 12.33 H new ATOM 0 HH21 ARG A 61 5.950 14.676 0.913 1.00 3.13 H new ATOM 0 HH22 ARG A 61 6.617 14.005 -0.579 1.00 3.13 H new ATOM 994 N MET A 62 0.600 7.070 1.416 1.00 1.44 N ATOM 995 CA MET A 62 -0.315 6.075 0.868 1.00 53.53 C ATOM 996 C MET A 62 -1.690 6.184 1.520 1.00 62.33 C ATOM 997 O MET A 62 -2.694 6.393 0.841 1.00 72.23 O ATOM 998 CB MET A 62 0.249 4.667 1.069 1.00 15.44 C ATOM 999 CG MET A 62 -0.489 3.599 0.278 1.00 32.32 C ATOM 1000 SD MET A 62 0.245 1.963 0.468 1.00 41.20 S ATOM 1001 CE MET A 62 -0.628 1.366 1.912 1.00 33.33 C ATOM 0 H MET A 62 1.485 6.690 1.751 1.00 1.44 H new ATOM 0 HA MET A 62 -0.423 6.265 -0.200 1.00 53.53 H new ATOM 0 HB2 MET A 62 1.300 4.661 0.780 1.00 15.44 H new ATOM 0 HB3 MET A 62 0.208 4.416 2.129 1.00 15.44 H new ATOM 0 HG2 MET A 62 -1.529 3.566 0.602 1.00 32.32 H new ATOM 0 HG3 MET A 62 -0.492 3.871 -0.777 1.00 32.32 H new ATOM 0 HE1 MET A 62 -0.270 0.368 2.167 1.00 33.33 H new ATOM 0 HE2 MET A 62 -0.450 2.040 2.750 1.00 33.33 H new ATOM 0 HE3 MET A 62 -1.696 1.325 1.700 1.00 33.33 H new ATOM 1011 N ASN A 63 -1.727 6.040 2.841 1.00 51.21 N ATOM 1012 CA ASN A 63 -2.979 6.121 3.583 1.00 21.34 C ATOM 1013 C ASN A 63 -3.713 7.421 3.272 1.00 13.42 C ATOM 1014 O ASN A 63 -4.934 7.433 3.106 1.00 13.22 O ATOM 1015 CB ASN A 63 -2.712 6.021 5.087 1.00 62.41 C ATOM 1016 CG ASN A 63 -3.870 5.394 5.839 1.00 60.50 C ATOM 1017 OD1 ASN A 63 -4.882 5.022 5.245 1.00 13.33 O ATOM 1018 ND2 ASN A 63 -3.726 5.274 7.154 1.00 65.15 N ATOM 0 H ASN A 63 -0.904 5.867 3.419 1.00 51.21 H new ATOM 0 HA ASN A 63 -3.609 5.286 3.275 1.00 21.34 H new ATOM 0 HB2 ASN A 63 -1.811 5.431 5.255 1.00 62.41 H new ATOM 0 HB3 ASN A 63 -2.520 7.017 5.486 1.00 62.41 H new ATOM 0 HD21 ASN A 63 -4.472 4.860 7.713 1.00 65.15 H new ATOM 0 HD22 ASN A 63 -2.870 5.596 7.605 1.00 65.15 H new ATOM 1025 N LEU A 64 -2.963 8.514 3.193 1.00 45.33 N ATOM 1026 CA LEU A 64 -3.542 9.820 2.900 1.00 3.31 C ATOM 1027 C LEU A 64 -3.997 9.901 1.446 1.00 21.04 C ATOM 1028 O LEU A 64 -4.797 10.763 1.083 1.00 0.44 O ATOM 1029 CB LEU A 64 -2.526 10.927 3.189 1.00 24.44 C ATOM 1030 CG LEU A 64 -1.892 10.909 4.582 1.00 71.31 C ATOM 1031 CD1 LEU A 64 -0.577 11.672 4.580 1.00 42.33 C ATOM 1032 CD2 LEU A 64 -2.849 11.494 5.611 1.00 51.34 C ATOM 0 H LEU A 64 -1.952 8.522 3.328 1.00 45.33 H new ATOM 0 HA LEU A 64 -4.412 9.956 3.542 1.00 3.31 H new ATOM 0 HB2 LEU A 64 -1.729 10.864 2.448 1.00 24.44 H new ATOM 0 HB3 LEU A 64 -3.017 11.890 3.048 1.00 24.44 H new ATOM 0 HG LEU A 64 -1.687 9.873 4.853 1.00 71.31 H new ATOM 0 HD11 LEU A 64 -0.141 11.648 5.579 1.00 42.33 H new ATOM 0 HD12 LEU A 64 0.111 11.209 3.873 1.00 42.33 H new ATOM 0 HD13 LEU A 64 -0.757 12.706 4.287 1.00 42.33 H new ATOM 0 HD21 LEU A 64 -2.382 11.473 6.596 1.00 51.34 H new ATOM 0 HD22 LEU A 64 -3.086 12.524 5.343 1.00 51.34 H new ATOM 0 HD23 LEU A 64 -3.766 10.904 5.632 1.00 51.34 H new ATOM 1044 N ASP A 65 -3.484 8.996 0.621 1.00 61.34 N ATOM 1045 CA ASP A 65 -3.841 8.962 -0.793 1.00 60.21 C ATOM 1046 C ASP A 65 -5.071 8.090 -1.023 1.00 15.01 C ATOM 1047 O ASP A 65 -6.040 8.519 -1.649 1.00 14.34 O ATOM 1048 CB ASP A 65 -2.668 8.440 -1.625 1.00 31.14 C ATOM 1049 CG ASP A 65 -2.825 8.743 -3.102 1.00 35.53 C ATOM 1050 OD1 ASP A 65 -3.970 8.978 -3.540 1.00 34.41 O ATOM 1051 OD2 ASP A 65 -1.804 8.745 -3.820 1.00 63.20 O ATOM 0 H ASP A 65 -2.820 8.276 0.906 1.00 61.34 H new ATOM 0 HA ASP A 65 -4.075 9.979 -1.107 1.00 60.21 H new ATOM 0 HB2 ASP A 65 -1.742 8.886 -1.262 1.00 31.14 H new ATOM 0 HB3 ASP A 65 -2.579 7.363 -1.486 1.00 31.14 H new ATOM 1056 N ILE A 66 -5.024 6.864 -0.513 1.00 32.15 N ATOM 1057 CA ILE A 66 -6.135 5.932 -0.661 1.00 74.14 C ATOM 1058 C ILE A 66 -7.373 6.429 0.078 1.00 42.35 C ATOM 1059 O ILE A 66 -8.458 6.518 -0.497 1.00 32.13 O ATOM 1060 CB ILE A 66 -5.768 4.530 -0.141 1.00 11.24 C ATOM 1061 CG1 ILE A 66 -4.457 4.056 -0.769 1.00 61.34 C ATOM 1062 CG2 ILE A 66 -6.890 3.545 -0.435 1.00 40.41 C ATOM 1063 CD1 ILE A 66 -3.953 2.748 -0.201 1.00 45.34 C ATOM 0 H ILE A 66 -4.228 6.493 0.006 1.00 32.15 H new ATOM 0 HA ILE A 66 -6.353 5.869 -1.727 1.00 74.14 H new ATOM 0 HB ILE A 66 -5.632 4.584 0.939 1.00 11.24 H new ATOM 0 HG12 ILE A 66 -4.598 3.946 -1.844 1.00 61.34 H new ATOM 0 HG13 ILE A 66 -3.696 4.823 -0.624 1.00 61.34 H new ATOM 0 HG21 ILE A 66 -6.615 2.559 -0.061 1.00 40.41 H new ATOM 0 HG22 ILE A 66 -7.804 3.878 0.056 1.00 40.41 H new ATOM 0 HG23 ILE A 66 -7.055 3.492 -1.511 1.00 40.41 H new ATOM 0 HD11 ILE A 66 -3.020 2.473 -0.693 1.00 45.34 H new ATOM 0 HD12 ILE A 66 -3.780 2.859 0.869 1.00 45.34 H new ATOM 0 HD13 ILE A 66 -4.695 1.968 -0.370 1.00 45.34 H new ATOM 1075 N SER A 67 -7.202 6.753 1.355 1.00 3.23 N ATOM 1076 CA SER A 67 -8.305 7.241 2.175 1.00 74.51 C ATOM 1077 C SER A 67 -9.058 8.360 1.462 1.00 32.31 C ATOM 1078 O SER A 67 -10.288 8.353 1.395 1.00 72.12 O ATOM 1079 CB SER A 67 -7.785 7.738 3.525 1.00 55.35 C ATOM 1080 OG SER A 67 -8.846 7.911 4.447 1.00 12.14 O ATOM 0 H SER A 67 -6.310 6.687 1.845 1.00 3.23 H new ATOM 0 HA SER A 67 -8.994 6.413 2.343 1.00 74.51 H new ATOM 0 HB2 SER A 67 -7.064 7.025 3.925 1.00 55.35 H new ATOM 0 HB3 SER A 67 -7.258 8.683 3.390 1.00 55.35 H new ATOM 0 HG SER A 67 -8.488 8.227 5.302 1.00 12.14 H new ATOM 1086 N LYS A 68 -8.311 9.322 0.933 1.00 53.43 N ATOM 1087 CA LYS A 68 -8.905 10.450 0.224 1.00 73.21 C ATOM 1088 C LYS A 68 -9.544 9.995 -1.085 1.00 33.42 C ATOM 1089 O LYS A 68 -10.561 10.541 -1.512 1.00 63.43 O ATOM 1090 CB LYS A 68 -7.845 11.516 -0.059 1.00 3.42 C ATOM 1091 CG LYS A 68 -7.377 11.542 -1.504 1.00 15.02 C ATOM 1092 CD LYS A 68 -6.215 12.502 -1.696 1.00 52.13 C ATOM 1093 CE LYS A 68 -6.691 13.864 -2.179 1.00 43.20 C ATOM 1094 NZ LYS A 68 -5.609 14.615 -2.873 1.00 14.44 N ATOM 0 H LYS A 68 -7.292 9.344 0.981 1.00 53.43 H new ATOM 0 HA LYS A 68 -9.682 10.877 0.859 1.00 73.21 H new ATOM 0 HB2 LYS A 68 -8.248 12.495 0.201 1.00 3.42 H new ATOM 0 HB3 LYS A 68 -6.986 11.343 0.589 1.00 3.42 H new ATOM 0 HG2 LYS A 68 -7.076 10.539 -1.808 1.00 15.02 H new ATOM 0 HG3 LYS A 68 -8.204 11.836 -2.150 1.00 15.02 H new ATOM 0 HD2 LYS A 68 -5.677 12.616 -0.755 1.00 52.13 H new ATOM 0 HD3 LYS A 68 -5.512 12.084 -2.417 1.00 52.13 H new ATOM 0 HE2 LYS A 68 -7.535 13.735 -2.856 1.00 43.20 H new ATOM 0 HE3 LYS A 68 -7.050 14.446 -1.330 1.00 43.20 H new ATOM 0 HZ1 LYS A 68 -5.973 15.537 -3.187 1.00 14.44 H new ATOM 0 HZ2 LYS A 68 -4.813 14.761 -2.219 1.00 14.44 H new ATOM 0 HZ3 LYS A 68 -5.284 14.072 -3.698 1.00 14.44 H new ATOM 1108 N ALA A 69 -8.942 8.991 -1.714 1.00 30.31 N ATOM 1109 CA ALA A 69 -9.455 8.460 -2.971 1.00 42.40 C ATOM 1110 C ALA A 69 -10.785 7.744 -2.763 1.00 22.01 C ATOM 1111 O ALA A 69 -11.481 7.416 -3.725 1.00 20.02 O ATOM 1112 CB ALA A 69 -8.438 7.519 -3.600 1.00 74.15 C ATOM 0 H ALA A 69 -8.099 8.529 -1.374 1.00 30.31 H new ATOM 0 HA ALA A 69 -9.626 9.297 -3.648 1.00 42.40 H new ATOM 0 HB1 ALA A 69 -8.834 7.130 -4.538 1.00 74.15 H new ATOM 0 HB2 ALA A 69 -7.512 8.061 -3.794 1.00 74.15 H new ATOM 0 HB3 ALA A 69 -8.238 6.691 -2.919 1.00 74.15 H new ATOM 1118 N ILE A 70 -11.132 7.504 -1.503 1.00 23.14 N ATOM 1119 CA ILE A 70 -12.378 6.826 -1.170 1.00 12.14 C ATOM 1120 C ILE A 70 -13.585 7.644 -1.619 1.00 20.12 C ATOM 1121 O ILE A 70 -14.247 7.303 -2.599 1.00 12.23 O ATOM 1122 CB ILE A 70 -12.488 6.561 0.343 1.00 63.21 C ATOM 1123 CG1 ILE A 70 -11.317 5.697 0.817 1.00 43.04 C ATOM 1124 CG2 ILE A 70 -13.813 5.888 0.668 1.00 51.30 C ATOM 1125 CD1 ILE A 70 -11.361 5.377 2.295 1.00 32.20 C ATOM 0 H ILE A 70 -10.567 7.769 -0.696 1.00 23.14 H new ATOM 0 HA ILE A 70 -12.369 5.873 -1.698 1.00 12.14 H new ATOM 0 HB ILE A 70 -12.449 7.515 0.868 1.00 63.21 H new ATOM 0 HG12 ILE A 70 -11.312 4.765 0.252 1.00 43.04 H new ATOM 0 HG13 ILE A 70 -10.382 6.211 0.593 1.00 43.04 H new ATOM 0 HG21 ILE A 70 -13.876 5.707 1.741 1.00 51.30 H new ATOM 0 HG22 ILE A 70 -14.635 6.535 0.360 1.00 51.30 H new ATOM 0 HG23 ILE A 70 -13.879 4.939 0.136 1.00 51.30 H new ATOM 0 HD11 ILE A 70 -10.501 4.762 2.560 1.00 32.20 H new ATOM 0 HD12 ILE A 70 -11.335 6.303 2.869 1.00 32.20 H new ATOM 0 HD13 ILE A 70 -12.279 4.835 2.523 1.00 32.20 H new ATOM 1137 N ARG A 71 -13.863 8.724 -0.897 1.00 24.22 N ATOM 1138 CA ARG A 71 -14.989 9.591 -1.221 1.00 74.55 C ATOM 1139 C ARG A 71 -14.860 10.145 -2.637 1.00 64.34 C ATOM 1140 O ARG A 71 -15.853 10.305 -3.346 1.00 23.50 O ATOM 1141 CB ARG A 71 -15.080 10.743 -0.219 1.00 70.41 C ATOM 1142 CG ARG A 71 -14.895 10.308 1.226 1.00 71.02 C ATOM 1143 CD ARG A 71 -15.570 11.272 2.189 1.00 12.41 C ATOM 1144 NE ARG A 71 -16.921 10.841 2.537 1.00 74.03 N ATOM 1145 CZ ARG A 71 -17.804 11.617 3.155 1.00 21.10 C ATOM 1146 NH1 ARG A 71 -17.481 12.858 3.491 1.00 44.52 N ATOM 1147 NH2 ARG A 71 -19.015 11.153 3.439 1.00 42.45 N ATOM 0 H ARG A 71 -13.324 9.020 -0.083 1.00 24.22 H new ATOM 0 HA ARG A 71 -15.900 8.995 -1.163 1.00 74.55 H new ATOM 0 HB2 ARG A 71 -14.324 11.488 -0.465 1.00 70.41 H new ATOM 0 HB3 ARG A 71 -16.051 11.228 -0.322 1.00 70.41 H new ATOM 0 HG2 ARG A 71 -15.307 9.308 1.362 1.00 71.02 H new ATOM 0 HG3 ARG A 71 -13.831 10.248 1.456 1.00 71.02 H new ATOM 0 HD2 ARG A 71 -14.972 11.357 3.096 1.00 12.41 H new ATOM 0 HD3 ARG A 71 -15.610 12.264 1.740 1.00 12.41 H new ATOM 0 HE ARG A 71 -17.202 9.892 2.292 1.00 74.03 H new ATOM 0 HH11 ARG A 71 -16.552 13.219 3.275 1.00 44.52 H new ATOM 0 HH12 ARG A 71 -18.161 13.451 3.966 1.00 44.52 H new ATOM 0 HH21 ARG A 71 -19.269 10.199 3.183 1.00 42.45 H new ATOM 0 HH22 ARG A 71 -19.692 11.751 3.914 1.00 42.45 H new ATOM 1161 N ASN A 72 -13.627 10.435 -3.043 1.00 11.14 N ATOM 1162 CA ASN A 72 -13.367 10.971 -4.373 1.00 51.43 C ATOM 1163 C ASN A 72 -14.010 10.099 -5.447 1.00 42.41 C ATOM 1164 O ASN A 72 -14.898 10.544 -6.173 1.00 74.24 O ATOM 1165 CB ASN A 72 -11.860 11.075 -4.618 1.00 73.15 C ATOM 1166 CG ASN A 72 -11.264 12.340 -4.030 1.00 25.41 C ATOM 1167 OD1 ASN A 72 -10.446 13.006 -4.664 1.00 24.13 O ATOM 1168 ND2 ASN A 72 -11.673 12.674 -2.812 1.00 24.12 N ATOM 0 H ASN A 72 -12.793 10.307 -2.469 1.00 11.14 H new ATOM 0 HA ASN A 72 -13.807 11.967 -4.428 1.00 51.43 H new ATOM 0 HB2 ASN A 72 -11.363 10.207 -4.184 1.00 73.15 H new ATOM 0 HB3 ASN A 72 -11.666 11.050 -5.690 1.00 73.15 H new ATOM 0 HD21 ASN A 72 -11.307 13.514 -2.364 1.00 24.12 H new ATOM 0 HD22 ASN A 72 -12.353 12.091 -2.325 1.00 24.12 H new ATOM 1175 N ASP A 73 -13.554 8.854 -5.541 1.00 20.03 N ATOM 1176 CA ASP A 73 -14.085 7.918 -6.525 1.00 23.40 C ATOM 1177 C ASP A 73 -15.243 7.114 -5.940 1.00 22.03 C ATOM 1178 O ASP A 73 -15.640 6.089 -6.491 1.00 24.31 O ATOM 1179 CB ASP A 73 -12.984 6.973 -7.006 1.00 61.15 C ATOM 1180 CG ASP A 73 -12.207 7.538 -8.179 1.00 73.33 C ATOM 1181 OD1 ASP A 73 -12.392 8.734 -8.493 1.00 24.41 O ATOM 1182 OD2 ASP A 73 -11.415 6.786 -8.783 1.00 1.12 O ATOM 0 H ASP A 73 -12.818 8.470 -4.948 1.00 20.03 H new ATOM 0 HA ASP A 73 -14.457 8.492 -7.374 1.00 23.40 H new ATOM 0 HB2 ASP A 73 -12.298 6.771 -6.183 1.00 61.15 H new ATOM 0 HB3 ASP A 73 -13.427 6.020 -7.293 1.00 61.15 H new ATOM 1187 N GLY A 74 -15.780 7.588 -4.820 1.00 2.53 N ATOM 1188 CA GLY A 74 -16.885 6.901 -4.179 1.00 23.23 C ATOM 1189 C GLY A 74 -16.624 5.419 -4.005 1.00 64.33 C ATOM 1190 O GLY A 74 -17.551 4.609 -4.039 1.00 11.11 O ATOM 0 H GLY A 74 -15.469 8.436 -4.345 1.00 2.53 H new ATOM 0 HA2 GLY A 74 -17.072 7.351 -3.204 1.00 23.23 H new ATOM 0 HA3 GLY A 74 -17.789 7.040 -4.772 1.00 23.23 H new ATOM 1194 N VAL A 75 -15.358 5.059 -3.821 1.00 3.34 N ATOM 1195 CA VAL A 75 -14.976 3.664 -3.642 1.00 62.23 C ATOM 1196 C VAL A 75 -15.257 3.195 -2.219 1.00 33.23 C ATOM 1197 O VAL A 75 -15.395 4.005 -1.302 1.00 30.34 O ATOM 1198 CB VAL A 75 -13.485 3.444 -3.958 1.00 21.33 C ATOM 1199 CG1 VAL A 75 -13.194 1.965 -4.162 1.00 11.25 C ATOM 1200 CG2 VAL A 75 -13.075 4.251 -5.180 1.00 43.25 C ATOM 0 H VAL A 75 -14.578 5.716 -3.792 1.00 3.34 H new ATOM 0 HA VAL A 75 -15.577 3.080 -4.339 1.00 62.23 H new ATOM 0 HB VAL A 75 -12.897 3.791 -3.108 1.00 21.33 H new ATOM 0 HG11 VAL A 75 -12.136 1.830 -4.384 1.00 11.25 H new ATOM 0 HG12 VAL A 75 -13.447 1.416 -3.255 1.00 11.25 H new ATOM 0 HG13 VAL A 75 -13.790 1.588 -4.993 1.00 11.25 H new ATOM 0 HG21 VAL A 75 -12.018 4.084 -5.389 1.00 43.25 H new ATOM 0 HG22 VAL A 75 -13.669 3.938 -6.039 1.00 43.25 H new ATOM 0 HG23 VAL A 75 -13.244 5.311 -4.989 1.00 43.25 H new ATOM 1210 N THR A 76 -15.342 1.879 -2.040 1.00 10.52 N ATOM 1211 CA THR A 76 -15.608 1.302 -0.729 1.00 30.53 C ATOM 1212 C THR A 76 -14.689 0.118 -0.453 1.00 43.44 C ATOM 1213 O THR A 76 -14.739 -0.896 -1.151 1.00 64.32 O ATOM 1214 CB THR A 76 -17.072 0.840 -0.605 1.00 12.43 C ATOM 1215 OG1 THR A 76 -17.955 1.922 -0.918 1.00 13.01 O ATOM 1216 CG2 THR A 76 -17.362 0.332 0.800 1.00 61.32 C ATOM 0 H THR A 76 -15.230 1.194 -2.787 1.00 10.52 H new ATOM 0 HA THR A 76 -15.418 2.085 0.005 1.00 30.53 H new ATOM 0 HB THR A 76 -17.234 0.024 -1.310 1.00 12.43 H new ATOM 0 HG1 THR A 76 -18.884 1.620 -0.838 1.00 13.01 H new ATOM 0 HG21 THR A 76 -18.402 0.011 0.864 1.00 61.32 H new ATOM 0 HG22 THR A 76 -16.708 -0.511 1.024 1.00 61.32 H new ATOM 0 HG23 THR A 76 -17.184 1.131 1.520 1.00 61.32 H new ATOM 1224 N LEU A 77 -13.849 0.252 0.567 1.00 40.21 N ATOM 1225 CA LEU A 77 -12.917 -0.808 0.936 1.00 20.54 C ATOM 1226 C LEU A 77 -13.643 -1.950 1.639 1.00 30.13 C ATOM 1227 O LEU A 77 -14.496 -1.722 2.497 1.00 24.10 O ATOM 1228 CB LEU A 77 -11.815 -0.254 1.841 1.00 32.45 C ATOM 1229 CG LEU A 77 -11.304 1.145 1.497 1.00 20.51 C ATOM 1230 CD1 LEU A 77 -10.170 1.543 2.429 1.00 54.12 C ATOM 1231 CD2 LEU A 77 -10.850 1.204 0.046 1.00 5.23 C ATOM 0 H LEU A 77 -13.794 1.085 1.154 1.00 40.21 H new ATOM 0 HA LEU A 77 -12.466 -1.196 0.023 1.00 20.54 H new ATOM 0 HB2 LEU A 77 -12.186 -0.242 2.866 1.00 32.45 H new ATOM 0 HB3 LEU A 77 -10.971 -0.944 1.816 1.00 32.45 H new ATOM 0 HG LEU A 77 -12.122 1.853 1.630 1.00 20.51 H new ATOM 0 HD11 LEU A 77 -9.819 2.542 2.169 1.00 54.12 H new ATOM 0 HD12 LEU A 77 -10.527 1.541 3.459 1.00 54.12 H new ATOM 0 HD13 LEU A 77 -9.350 0.832 2.328 1.00 54.12 H new ATOM 0 HD21 LEU A 77 -10.489 2.207 -0.182 1.00 5.23 H new ATOM 0 HD22 LEU A 77 -10.047 0.485 -0.113 1.00 5.23 H new ATOM 0 HD23 LEU A 77 -11.688 0.963 -0.608 1.00 5.23 H new ATOM 1243 N SER A 78 -13.297 -3.180 1.272 1.00 63.11 N ATOM 1244 CA SER A 78 -13.916 -4.359 1.866 1.00 35.13 C ATOM 1245 C SER A 78 -13.387 -4.598 3.277 1.00 43.41 C ATOM 1246 O SER A 78 -12.534 -3.856 3.766 1.00 55.41 O ATOM 1247 CB SER A 78 -13.659 -5.590 0.996 1.00 21.04 C ATOM 1248 OG SER A 78 -14.421 -6.698 1.442 1.00 62.24 O ATOM 0 H SER A 78 -12.591 -3.386 0.565 1.00 63.11 H new ATOM 0 HA SER A 78 -14.990 -4.184 1.925 1.00 35.13 H new ATOM 0 HB2 SER A 78 -13.910 -5.365 -0.041 1.00 21.04 H new ATOM 0 HB3 SER A 78 -12.599 -5.841 1.020 1.00 21.04 H new ATOM 0 HG SER A 78 -13.886 -7.516 1.363 1.00 62.24 H new ATOM 1254 N ASP A 79 -13.897 -5.639 3.924 1.00 21.02 N ATOM 1255 CA ASP A 79 -13.475 -5.979 5.278 1.00 5.24 C ATOM 1256 C ASP A 79 -11.957 -6.109 5.358 1.00 4.13 C ATOM 1257 O ASP A 79 -11.294 -5.348 6.064 1.00 55.55 O ATOM 1258 CB ASP A 79 -14.136 -7.283 5.729 1.00 5.33 C ATOM 1259 CG ASP A 79 -14.321 -7.348 7.232 1.00 1.53 C ATOM 1260 OD1 ASP A 79 -13.499 -6.750 7.959 1.00 62.42 O ATOM 1261 OD2 ASP A 79 -15.288 -7.995 7.682 1.00 35.54 O ATOM 0 H ASP A 79 -14.603 -6.263 3.533 1.00 21.02 H new ATOM 0 HA ASP A 79 -13.788 -5.174 5.943 1.00 5.24 H new ATOM 0 HB2 ASP A 79 -15.106 -7.383 5.242 1.00 5.33 H new ATOM 0 HB3 ASP A 79 -13.528 -8.127 5.404 1.00 5.33 H new ATOM 1266 N TYR A 80 -11.412 -7.079 4.632 1.00 53.24 N ATOM 1267 CA TYR A 80 -9.973 -7.311 4.623 1.00 53.13 C ATOM 1268 C TYR A 80 -9.219 -6.044 4.231 1.00 2.43 C ATOM 1269 O TYR A 80 -8.146 -5.759 4.762 1.00 33.24 O ATOM 1270 CB TYR A 80 -9.624 -8.445 3.657 1.00 12.23 C ATOM 1271 CG TYR A 80 -10.008 -8.158 2.223 1.00 12.44 C ATOM 1272 CD1 TYR A 80 -11.289 -8.430 1.758 1.00 63.21 C ATOM 1273 CD2 TYR A 80 -9.090 -7.613 1.333 1.00 3.12 C ATOM 1274 CE1 TYR A 80 -11.643 -8.170 0.448 1.00 13.20 C ATOM 1275 CE2 TYR A 80 -9.437 -7.349 0.023 1.00 43.44 C ATOM 1276 CZ TYR A 80 -10.714 -7.629 -0.416 1.00 31.54 C ATOM 1277 OH TYR A 80 -11.064 -7.368 -1.720 1.00 41.43 O ATOM 0 H TYR A 80 -11.946 -7.717 4.042 1.00 53.24 H new ATOM 0 HA TYR A 80 -9.670 -7.595 5.631 1.00 53.13 H new ATOM 0 HB2 TYR A 80 -8.552 -8.636 3.706 1.00 12.23 H new ATOM 0 HB3 TYR A 80 -10.125 -9.356 3.983 1.00 12.23 H new ATOM 0 HD1 TYR A 80 -12.020 -8.852 2.432 1.00 63.21 H new ATOM 0 HD2 TYR A 80 -8.089 -7.392 1.672 1.00 3.12 H new ATOM 0 HE1 TYR A 80 -12.642 -8.389 0.102 1.00 13.20 H new ATOM 0 HE2 TYR A 80 -8.711 -6.925 -0.655 1.00 43.44 H new ATOM 0 HH TYR A 80 -10.296 -6.988 -2.195 1.00 41.43 H new ATOM 1287 N GLN A 81 -9.790 -5.288 3.299 1.00 31.13 N ATOM 1288 CA GLN A 81 -9.172 -4.050 2.836 1.00 73.23 C ATOM 1289 C GLN A 81 -8.959 -3.082 3.994 1.00 1.31 C ATOM 1290 O GLN A 81 -7.824 -2.818 4.395 1.00 73.44 O ATOM 1291 CB GLN A 81 -10.040 -3.394 1.761 1.00 72.33 C ATOM 1292 CG GLN A 81 -10.111 -4.191 0.468 1.00 55.24 C ATOM 1293 CD GLN A 81 -10.225 -3.304 -0.757 1.00 71.21 C ATOM 1294 OE1 GLN A 81 -10.468 -2.102 -0.648 1.00 35.43 O ATOM 1295 NE2 GLN A 81 -10.050 -3.895 -1.934 1.00 71.21 N ATOM 0 H GLN A 81 -10.678 -5.510 2.850 1.00 31.13 H new ATOM 0 HA GLN A 81 -8.200 -4.296 2.409 1.00 73.23 H new ATOM 0 HB2 GLN A 81 -11.049 -3.260 2.152 1.00 72.33 H new ATOM 0 HB3 GLN A 81 -9.647 -2.400 1.545 1.00 72.33 H new ATOM 0 HG2 GLN A 81 -9.221 -4.814 0.380 1.00 55.24 H new ATOM 0 HG3 GLN A 81 -10.968 -4.864 0.506 1.00 55.24 H new ATOM 0 HE21 GLN A 81 -9.850 -4.894 -1.978 1.00 71.21 H new ATOM 0 HE22 GLN A 81 -10.115 -3.349 -2.793 1.00 71.21 H new ATOM 1304 N SER A 82 -10.055 -2.554 4.529 1.00 41.15 N ATOM 1305 CA SER A 82 -9.987 -1.611 5.639 1.00 72.34 C ATOM 1306 C SER A 82 -9.126 -2.165 6.770 1.00 54.41 C ATOM 1307 O SER A 82 -8.425 -1.420 7.454 1.00 3.05 O ATOM 1308 CB SER A 82 -11.393 -1.300 6.157 1.00 3.15 C ATOM 1309 OG SER A 82 -11.384 -0.158 6.998 1.00 72.34 O ATOM 0 H SER A 82 -11.001 -2.763 4.211 1.00 41.15 H new ATOM 0 HA SER A 82 -9.530 -0.691 5.276 1.00 72.34 H new ATOM 0 HB2 SER A 82 -12.065 -1.131 5.316 1.00 3.15 H new ATOM 0 HB3 SER A 82 -11.780 -2.158 6.707 1.00 3.15 H new ATOM 0 HG SER A 82 -12.294 0.022 7.315 1.00 72.34 H new ATOM 1315 N LYS A 83 -9.185 -3.478 6.962 1.00 62.34 N ATOM 1316 CA LYS A 83 -8.410 -4.135 8.008 1.00 73.02 C ATOM 1317 C LYS A 83 -6.916 -4.044 7.716 1.00 22.30 C ATOM 1318 O LYS A 83 -6.122 -3.695 8.590 1.00 64.00 O ATOM 1319 CB LYS A 83 -8.828 -5.602 8.136 1.00 42.25 C ATOM 1320 CG LYS A 83 -7.656 -6.558 8.268 1.00 24.50 C ATOM 1321 CD LYS A 83 -8.123 -7.977 8.548 1.00 63.00 C ATOM 1322 CE LYS A 83 -7.016 -8.989 8.293 1.00 14.12 C ATOM 1323 NZ LYS A 83 -7.549 -10.374 8.168 1.00 13.10 N ATOM 0 H LYS A 83 -9.762 -4.109 6.406 1.00 62.34 H new ATOM 0 HA LYS A 83 -8.610 -3.624 8.950 1.00 73.02 H new ATOM 0 HB2 LYS A 83 -9.476 -5.712 9.006 1.00 42.25 H new ATOM 0 HB3 LYS A 83 -9.417 -5.881 7.262 1.00 42.25 H new ATOM 0 HG2 LYS A 83 -7.067 -6.542 7.351 1.00 24.50 H new ATOM 0 HG3 LYS A 83 -7.001 -6.224 9.073 1.00 24.50 H new ATOM 0 HD2 LYS A 83 -8.456 -8.054 9.583 1.00 63.00 H new ATOM 0 HD3 LYS A 83 -8.982 -8.209 7.918 1.00 63.00 H new ATOM 0 HE2 LYS A 83 -6.482 -8.721 7.381 1.00 14.12 H new ATOM 0 HE3 LYS A 83 -6.293 -8.950 9.108 1.00 14.12 H new ATOM 0 HZ1 LYS A 83 -6.764 -11.034 7.995 1.00 13.10 H new ATOM 0 HZ2 LYS A 83 -8.036 -10.639 9.048 1.00 13.10 H new ATOM 0 HZ3 LYS A 83 -8.219 -10.418 7.374 1.00 13.10 H new ATOM 1337 N LYS A 84 -6.538 -4.360 6.483 1.00 61.31 N ATOM 1338 CA LYS A 84 -5.139 -4.313 6.074 1.00 41.31 C ATOM 1339 C LYS A 84 -4.615 -2.880 6.095 1.00 50.14 C ATOM 1340 O LYS A 84 -3.404 -2.651 6.124 1.00 34.52 O ATOM 1341 CB LYS A 84 -4.974 -4.908 4.673 1.00 1.24 C ATOM 1342 CG LYS A 84 -5.053 -3.876 3.562 1.00 53.22 C ATOM 1343 CD LYS A 84 -3.672 -3.391 3.152 1.00 35.53 C ATOM 1344 CE LYS A 84 -3.729 -2.002 2.535 1.00 74.23 C ATOM 1345 NZ LYS A 84 -2.808 -1.873 1.373 1.00 62.33 N ATOM 0 H LYS A 84 -7.182 -4.652 5.748 1.00 61.31 H new ATOM 0 HA LYS A 84 -4.559 -4.904 6.783 1.00 41.31 H new ATOM 0 HB2 LYS A 84 -4.013 -5.419 4.615 1.00 1.24 H new ATOM 0 HB3 LYS A 84 -5.746 -5.661 4.514 1.00 1.24 H new ATOM 0 HG2 LYS A 84 -5.559 -4.308 2.699 1.00 53.22 H new ATOM 0 HG3 LYS A 84 -5.654 -3.029 3.893 1.00 53.22 H new ATOM 0 HD2 LYS A 84 -3.017 -3.377 4.023 1.00 35.53 H new ATOM 0 HD3 LYS A 84 -3.237 -4.090 2.438 1.00 35.53 H new ATOM 0 HE2 LYS A 84 -4.749 -1.788 2.215 1.00 74.23 H new ATOM 0 HE3 LYS A 84 -3.469 -1.259 3.289 1.00 74.23 H new ATOM 0 HZ1 LYS A 84 -3.236 -1.250 0.658 1.00 62.33 H new ATOM 0 HZ2 LYS A 84 -1.904 -1.467 1.690 1.00 62.33 H new ATOM 0 HZ3 LYS A 84 -2.639 -2.812 0.958 1.00 62.33 H new ATOM 1359 N LEU A 85 -5.533 -1.920 6.080 1.00 43.22 N ATOM 1360 CA LEU A 85 -5.162 -0.509 6.098 1.00 34.23 C ATOM 1361 C LEU A 85 -4.519 -0.131 7.428 1.00 23.23 C ATOM 1362 O LEU A 85 -3.590 0.674 7.475 1.00 45.14 O ATOM 1363 CB LEU A 85 -6.394 0.365 5.848 1.00 64.22 C ATOM 1364 CG LEU A 85 -6.118 1.817 5.455 1.00 62.23 C ATOM 1365 CD1 LEU A 85 -7.082 2.268 4.369 1.00 33.22 C ATOM 1366 CD2 LEU A 85 -6.217 2.727 6.670 1.00 24.40 C ATOM 0 H LEU A 85 -6.538 -2.092 6.055 1.00 43.22 H new ATOM 0 HA LEU A 85 -4.435 -0.340 5.304 1.00 34.23 H new ATOM 0 HB2 LEU A 85 -6.989 -0.097 5.060 1.00 64.22 H new ATOM 0 HB3 LEU A 85 -7.005 0.364 6.751 1.00 64.22 H new ATOM 0 HG LEU A 85 -5.104 1.880 5.061 1.00 62.23 H new ATOM 0 HD11 LEU A 85 -6.871 3.303 4.102 1.00 33.22 H new ATOM 0 HD12 LEU A 85 -6.962 1.635 3.490 1.00 33.22 H new ATOM 0 HD13 LEU A 85 -8.106 2.189 4.735 1.00 33.22 H new ATOM 0 HD21 LEU A 85 -6.018 3.756 6.371 1.00 24.40 H new ATOM 0 HD22 LEU A 85 -7.219 2.660 7.094 1.00 24.40 H new ATOM 0 HD23 LEU A 85 -5.486 2.418 7.417 1.00 24.40 H new ATOM 1378 N LYS A 86 -5.020 -0.721 8.510 1.00 44.45 N ATOM 1379 CA LYS A 86 -4.492 -0.450 9.842 1.00 13.21 C ATOM 1380 C LYS A 86 -3.113 -1.077 10.018 1.00 31.34 C ATOM 1381 O LYS A 86 -2.434 -0.833 11.016 1.00 34.44 O ATOM 1382 CB LYS A 86 -5.448 -0.986 10.910 1.00 71.32 C ATOM 1383 CG LYS A 86 -5.372 -2.491 11.094 1.00 61.52 C ATOM 1384 CD LYS A 86 -4.743 -2.860 12.426 1.00 2.44 C ATOM 1385 CE LYS A 86 -3.297 -3.301 12.258 1.00 61.55 C ATOM 1386 NZ LYS A 86 -3.006 -4.548 13.017 1.00 31.42 N ATOM 0 H LYS A 86 -5.790 -1.389 8.490 1.00 44.45 H new ATOM 0 HA LYS A 86 -4.398 0.630 9.956 1.00 13.21 H new ATOM 0 HB2 LYS A 86 -5.226 -0.501 11.860 1.00 71.32 H new ATOM 0 HB3 LYS A 86 -6.469 -0.712 10.642 1.00 71.32 H new ATOM 0 HG2 LYS A 86 -6.374 -2.917 11.034 1.00 61.52 H new ATOM 0 HG3 LYS A 86 -4.790 -2.928 10.283 1.00 61.52 H new ATOM 0 HD2 LYS A 86 -4.787 -2.004 13.100 1.00 2.44 H new ATOM 0 HD3 LYS A 86 -5.317 -3.662 12.891 1.00 2.44 H new ATOM 0 HE2 LYS A 86 -3.087 -3.462 11.201 1.00 61.55 H new ATOM 0 HE3 LYS A 86 -2.633 -2.506 12.597 1.00 61.55 H new ATOM 0 HZ1 LYS A 86 -2.011 -4.816 12.877 1.00 31.42 H new ATOM 0 HZ2 LYS A 86 -3.182 -4.387 14.029 1.00 31.42 H new ATOM 0 HZ3 LYS A 86 -3.622 -5.314 12.676 1.00 31.42 H new ATOM 1400 N GLU A 87 -2.705 -1.883 9.044 1.00 62.21 N ATOM 1401 CA GLU A 87 -1.405 -2.543 9.093 1.00 30.03 C ATOM 1402 C GLU A 87 -0.277 -1.519 9.174 1.00 74.14 C ATOM 1403 O GLU A 87 0.285 -1.280 10.243 1.00 31.05 O ATOM 1404 CB GLU A 87 -1.214 -3.434 7.864 1.00 73.43 C ATOM 1405 CG GLU A 87 -2.165 -4.618 7.817 1.00 42.35 C ATOM 1406 CD GLU A 87 -1.654 -5.810 8.603 1.00 50.41 C ATOM 1407 OE1 GLU A 87 -0.928 -6.640 8.017 1.00 32.30 O ATOM 1408 OE2 GLU A 87 -1.979 -5.910 9.805 1.00 43.03 O ATOM 0 H GLU A 87 -3.255 -2.095 8.212 1.00 62.21 H new ATOM 0 HA GLU A 87 -1.374 -3.162 9.990 1.00 30.03 H new ATOM 0 HB2 GLU A 87 -1.351 -2.833 6.965 1.00 73.43 H new ATOM 0 HB3 GLU A 87 -0.188 -3.802 7.848 1.00 73.43 H new ATOM 0 HG2 GLU A 87 -3.135 -4.316 8.212 1.00 42.35 H new ATOM 0 HG3 GLU A 87 -2.322 -4.912 6.779 1.00 42.35 H new ATOM 1415 N LEU A 88 0.050 -0.917 8.035 1.00 72.43 N ATOM 1416 CA LEU A 88 1.111 0.081 7.975 1.00 70.21 C ATOM 1417 C LEU A 88 0.745 1.315 8.793 1.00 75.10 C ATOM 1418 O LEU A 88 1.572 2.204 9.000 1.00 13.24 O ATOM 1419 CB LEU A 88 1.382 0.480 6.523 1.00 34.21 C ATOM 1420 CG LEU A 88 0.148 0.658 5.636 1.00 43.45 C ATOM 1421 CD1 LEU A 88 -0.296 -0.679 5.065 1.00 12.03 C ATOM 1422 CD2 LEU A 88 -0.982 1.310 6.418 1.00 60.50 C ATOM 0 H LEU A 88 -0.405 -1.103 7.141 1.00 72.43 H new ATOM 0 HA LEU A 88 2.014 -0.359 8.399 1.00 70.21 H new ATOM 0 HB2 LEU A 88 1.944 1.414 6.522 1.00 34.21 H new ATOM 0 HB3 LEU A 88 2.023 -0.278 6.072 1.00 34.21 H new ATOM 0 HG LEU A 88 0.412 1.313 4.806 1.00 43.45 H new ATOM 0 HD11 LEU A 88 -1.175 -0.533 4.437 1.00 12.03 H new ATOM 0 HD12 LEU A 88 0.510 -1.105 4.468 1.00 12.03 H new ATOM 0 HD13 LEU A 88 -0.542 -1.359 5.880 1.00 12.03 H new ATOM 0 HD21 LEU A 88 -1.851 1.429 5.771 1.00 60.50 H new ATOM 0 HD22 LEU A 88 -1.246 0.681 7.269 1.00 60.50 H new ATOM 0 HD23 LEU A 88 -0.660 2.288 6.776 1.00 60.50 H new ATOM 1434 N THR A 89 -0.500 1.362 9.259 1.00 3.23 N ATOM 1435 CA THR A 89 -0.975 2.486 10.056 1.00 61.03 C ATOM 1436 C THR A 89 -0.254 2.553 11.397 1.00 13.03 C ATOM 1437 O THR A 89 0.282 3.595 11.773 1.00 14.05 O ATOM 1438 CB THR A 89 -2.493 2.396 10.305 1.00 64.22 C ATOM 1439 OG1 THR A 89 -3.204 2.619 9.082 1.00 4.44 O ATOM 1440 CG2 THR A 89 -2.932 3.414 11.346 1.00 23.13 C ATOM 0 H THR A 89 -1.197 0.635 9.098 1.00 3.23 H new ATOM 0 HA THR A 89 -0.761 3.390 9.487 1.00 61.03 H new ATOM 0 HB THR A 89 -2.719 1.397 10.679 1.00 64.22 H new ATOM 0 HG1 THR A 89 -3.089 1.846 8.491 1.00 4.44 H new ATOM 0 HG21 THR A 89 -4.007 3.331 11.505 1.00 23.13 H new ATOM 0 HG22 THR A 89 -2.411 3.223 12.284 1.00 23.13 H new ATOM 0 HG23 THR A 89 -2.693 4.418 10.996 1.00 23.13 H new ATOM 1448 N SER A 90 -0.246 1.435 12.115 1.00 64.20 N ATOM 1449 CA SER A 90 0.407 1.367 13.417 1.00 24.12 C ATOM 1450 C SER A 90 1.924 1.300 13.262 1.00 60.13 C ATOM 1451 O SER A 90 2.668 1.794 14.110 1.00 51.35 O ATOM 1452 CB SER A 90 -0.090 0.149 14.199 1.00 55.53 C ATOM 1453 OG SER A 90 -0.079 0.400 15.593 1.00 23.32 O ATOM 0 H SER A 90 -0.684 0.564 11.817 1.00 64.20 H new ATOM 0 HA SER A 90 0.154 2.272 13.969 1.00 24.12 H new ATOM 0 HB2 SER A 90 -1.101 -0.104 13.880 1.00 55.53 H new ATOM 0 HB3 SER A 90 0.540 -0.712 13.976 1.00 55.53 H new ATOM 0 HG SER A 90 -0.402 -0.392 16.071 1.00 23.32 H new ATOM 1459 N ILE A 91 2.374 0.686 12.174 1.00 41.13 N ATOM 1460 CA ILE A 91 3.801 0.554 11.906 1.00 43.32 C ATOM 1461 C ILE A 91 4.415 1.898 11.528 1.00 71.03 C ATOM 1462 O ILE A 91 5.419 2.318 12.103 1.00 62.54 O ATOM 1463 CB ILE A 91 4.072 -0.457 10.777 1.00 54.34 C ATOM 1464 CG1 ILE A 91 3.470 -1.819 11.128 1.00 64.12 C ATOM 1465 CG2 ILE A 91 5.567 -0.582 10.524 1.00 14.42 C ATOM 1466 CD1 ILE A 91 3.455 -2.790 9.968 1.00 44.44 C ATOM 0 H ILE A 91 1.771 0.272 11.463 1.00 41.13 H new ATOM 0 HA ILE A 91 4.262 0.191 12.825 1.00 43.32 H new ATOM 0 HB ILE A 91 3.599 -0.095 9.864 1.00 54.34 H new ATOM 0 HG12 ILE A 91 4.036 -2.256 11.950 1.00 64.12 H new ATOM 0 HG13 ILE A 91 2.450 -1.675 11.484 1.00 64.12 H new ATOM 0 HG21 ILE A 91 5.742 -1.300 9.723 1.00 14.42 H new ATOM 0 HG22 ILE A 91 5.969 0.389 10.235 1.00 14.42 H new ATOM 0 HG23 ILE A 91 6.062 -0.924 11.433 1.00 14.42 H new ATOM 0 HD11 ILE A 91 3.015 -3.734 10.289 1.00 44.44 H new ATOM 0 HD12 ILE A 91 2.864 -2.373 9.152 1.00 44.44 H new ATOM 0 HD13 ILE A 91 4.475 -2.963 9.625 1.00 44.44 H new ATOM 1478 N SER A 92 3.804 2.570 10.558 1.00 14.32 N ATOM 1479 CA SER A 92 4.291 3.867 10.101 1.00 20.44 C ATOM 1480 C SER A 92 4.036 4.943 11.152 1.00 43.45 C ATOM 1481 O SER A 92 2.953 5.019 11.729 1.00 31.25 O ATOM 1482 CB SER A 92 3.615 4.253 8.784 1.00 2.44 C ATOM 1483 OG SER A 92 3.842 3.272 7.787 1.00 43.32 O ATOM 0 H SER A 92 2.970 2.238 10.073 1.00 14.32 H new ATOM 0 HA SER A 92 5.366 3.789 9.940 1.00 20.44 H new ATOM 0 HB2 SER A 92 2.543 4.373 8.943 1.00 2.44 H new ATOM 0 HB3 SER A 92 3.996 5.216 8.444 1.00 2.44 H new ATOM 0 HG SER A 92 3.177 2.558 7.873 1.00 43.32 H new