USER MOD reduce.3.24.130724 H: found=0, std=0, add=488, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 490 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 38 LYS NZ :NH3+ -162:sc= 1.03 (180deg=0) USER MOD Set 1.2: A 41 GLN : amide:sc= 1.9 K(o=3.8,f=-1.7) USER MOD Set 1.3: B 140 GLN : amide:sc= 0.869 K(o=3.8,f=-1.7) USER MOD Set 2.1: A 23 SER OG : rot 180:sc= 0.815 USER MOD Set 2.2: B 127 LYS NZ :NH3+ 148:sc= 0.842 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 30:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= -0.0165 USER MOD Single : A 27 LYS NZ :NH3+ -167:sc= 0.983 (180deg=0.859) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN : amide:sc= 0.561 K(o=0.56,f=-4!) USER MOD Single : A 31 MET CE :methyl 148:sc= -0.356 (180deg=-0.422) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : B 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 118 TYR OH : rot 15:sc= 0.268 USER MOD Single : B 120 SER OG : rot 180:sc= 0.483 USER MOD Single : B 123 SER OG : rot 180:sc= 0 USER MOD Single : B 126 SER OG : rot 180:sc= -0.015 USER MOD Single : B 128 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : B 129 GLN : amide:sc= 0.549 K(o=0.55,f=-4.2!) USER MOD Single : B 131 MET CE :methyl -174:sc= -0.315 (180deg=-0.4) USER MOD Single : B 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 139 GLN :FLIP amide:sc= 0 F(o=-0.63,f=0) USER MOD ----------------------------------------------------------------- ATOM 164 N TRP A 14 -14.482 7.350 -1.669 1.00 0.00 N ATOM 165 CA TRP A 14 -13.291 6.963 -2.437 1.00 0.00 C ATOM 166 C TRP A 14 -12.456 5.867 -1.749 1.00 0.00 C ATOM 167 O TRP A 14 -11.791 5.084 -2.428 1.00 0.00 O ATOM 168 CB TRP A 14 -12.433 8.211 -2.704 1.00 0.00 C ATOM 169 CG TRP A 14 -11.685 8.777 -1.527 1.00 0.00 C ATOM 170 CD1 TRP A 14 -12.091 9.805 -0.752 1.00 0.00 C ATOM 171 CD2 TRP A 14 -10.392 8.358 -0.979 1.00 0.00 C ATOM 172 NE1 TRP A 14 -11.163 10.034 0.251 1.00 0.00 N ATOM 173 CE2 TRP A 14 -10.091 9.168 0.161 1.00 0.00 C ATOM 174 CE3 TRP A 14 -9.437 7.376 -1.324 1.00 0.00 C ATOM 175 CZ2 TRP A 14 -8.916 9.006 0.913 1.00 0.00 C ATOM 176 CZ3 TRP A 14 -8.256 7.204 -0.577 1.00 0.00 C ATOM 177 CH2 TRP A 14 -7.995 8.013 0.546 1.00 0.00 C ATOM 0 HA TRP A 14 -13.633 6.533 -3.378 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -11.710 7.968 -3.482 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -13.081 8.991 -3.103 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -13.003 10.366 -0.893 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -11.260 10.753 0.968 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -9.617 6.743 -2.180 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -8.723 9.640 1.766 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -7.544 6.445 -0.868 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -7.092 7.870 1.121 1.00 0.00 H new ATOM 188 N LYS A 15 -12.510 5.774 -0.411 1.00 0.00 N ATOM 189 CA LYS A 15 -11.724 4.815 0.383 1.00 0.00 C ATOM 190 C LYS A 15 -12.056 3.360 0.040 1.00 0.00 C ATOM 191 O LYS A 15 -11.152 2.534 -0.084 1.00 0.00 O ATOM 192 CB LYS A 15 -11.967 5.068 1.881 1.00 0.00 C ATOM 193 CG LYS A 15 -11.407 6.407 2.389 1.00 0.00 C ATOM 194 CD LYS A 15 -11.863 6.631 3.833 1.00 0.00 C ATOM 195 CE LYS A 15 -11.268 7.916 4.424 1.00 0.00 C ATOM 196 NZ LYS A 15 -11.890 8.250 5.730 1.00 0.00 N1+ ATOM 0 H LYS A 15 -13.109 6.371 0.158 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.673 4.970 0.140 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -13.039 5.038 2.075 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -11.517 4.257 2.453 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -10.318 6.403 2.336 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -11.754 7.223 1.755 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -12.951 6.685 3.867 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -11.567 5.778 4.444 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -10.192 7.795 4.552 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -11.416 8.741 3.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.466 9.123 6.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -12.913 8.389 5.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -11.727 7.472 6.401 1.00 0.00 H new ATOM 210 N ASP A 16 -13.338 3.057 -0.146 1.00 0.00 N ATOM 211 CA ASP A 16 -13.821 1.720 -0.512 1.00 0.00 C ATOM 212 C ASP A 16 -13.369 1.318 -1.928 1.00 0.00 C ATOM 213 O ASP A 16 -12.940 0.187 -2.161 1.00 0.00 O ATOM 214 CB ASP A 16 -15.354 1.708 -0.403 1.00 0.00 C ATOM 215 CG ASP A 16 -15.982 0.306 -0.550 1.00 0.00 C ATOM 216 OD1 ASP A 16 -15.357 -0.703 -0.145 1.00 0.00 O ATOM 217 OD2 ASP A 16 -17.137 0.217 -1.033 1.00 0.00 O1- ATOM 0 H ASP A 16 -14.087 3.743 -0.046 1.00 0.00 H new ATOM 0 HA ASP A 16 -13.393 0.987 0.172 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -15.643 2.125 0.562 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -15.768 2.363 -1.170 1.00 0.00 H new ATOM 222 N ASP A 17 -13.390 2.266 -2.868 1.00 0.00 N ATOM 223 CA ASP A 17 -12.864 2.076 -4.226 1.00 0.00 C ATOM 224 C ASP A 17 -11.334 1.910 -4.230 1.00 0.00 C ATOM 225 O ASP A 17 -10.796 1.135 -5.024 1.00 0.00 O ATOM 226 CB ASP A 17 -13.278 3.258 -5.126 1.00 0.00 C ATOM 227 CG ASP A 17 -14.795 3.426 -5.332 1.00 0.00 C ATOM 228 OD1 ASP A 17 -15.217 4.529 -5.760 1.00 0.00 O ATOM 229 OD2 ASP A 17 -15.576 2.458 -5.138 1.00 0.00 O1- ATOM 0 H ASP A 17 -13.776 3.197 -2.708 1.00 0.00 H new ATOM 0 HA ASP A 17 -13.293 1.156 -4.621 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -12.882 4.178 -4.695 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -12.807 3.134 -6.101 1.00 0.00 H new ATOM 234 N TYR A 18 -10.622 2.580 -3.316 1.00 0.00 N ATOM 235 CA TYR A 18 -9.171 2.451 -3.174 1.00 0.00 C ATOM 236 C TYR A 18 -8.779 1.075 -2.598 1.00 0.00 C ATOM 237 O TYR A 18 -7.943 0.387 -3.182 1.00 0.00 O ATOM 238 CB TYR A 18 -8.603 3.623 -2.362 1.00 0.00 C ATOM 239 CG TYR A 18 -7.175 3.967 -2.748 1.00 0.00 C ATOM 240 CD1 TYR A 18 -6.930 4.529 -4.018 1.00 0.00 C ATOM 241 CD2 TYR A 18 -6.100 3.719 -1.872 1.00 0.00 C ATOM 242 CE1 TYR A 18 -5.612 4.802 -4.431 1.00 0.00 C ATOM 243 CE2 TYR A 18 -4.781 4.004 -2.275 1.00 0.00 C ATOM 244 CZ TYR A 18 -4.535 4.529 -3.560 1.00 0.00 C ATOM 245 OH TYR A 18 -3.256 4.754 -3.971 1.00 0.00 O ATOM 0 H TYR A 18 -11.041 3.230 -2.651 1.00 0.00 H new ATOM 0 HA TYR A 18 -8.719 2.501 -4.165 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -9.235 4.499 -2.506 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -8.638 3.375 -1.301 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -7.757 4.751 -4.676 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -6.288 3.310 -0.890 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -5.426 5.218 -5.410 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.958 3.820 -1.600 1.00 0.00 H new ATOM 0 HH TYR A 18 -3.244 5.493 -4.615 1.00 0.00 H new ATOM 255 N LEU A 19 -9.449 0.607 -1.541 1.00 0.00 N ATOM 256 CA LEU A 19 -9.316 -0.769 -1.037 1.00 0.00 C ATOM 257 C LEU A 19 -9.633 -1.813 -2.129 1.00 0.00 C ATOM 258 O LEU A 19 -8.911 -2.803 -2.260 1.00 0.00 O ATOM 259 CB LEU A 19 -10.227 -0.949 0.196 1.00 0.00 C ATOM 260 CG LEU A 19 -9.513 -0.749 1.548 1.00 0.00 C ATOM 261 CD1 LEU A 19 -8.755 0.574 1.676 1.00 0.00 C ATOM 262 CD2 LEU A 19 -10.515 -0.823 2.701 1.00 0.00 C ATOM 0 H LEU A 19 -10.105 1.175 -1.005 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.280 -0.935 -0.743 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -11.055 -0.243 0.128 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.659 -1.950 0.171 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.781 -1.556 1.594 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.284 0.630 2.657 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.989 0.631 0.902 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -9.451 1.405 1.560 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.993 -0.680 3.647 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -11.267 -0.043 2.580 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -11.001 -1.799 2.699 1.00 0.00 H new ATOM 274 N SER A 20 -10.649 -1.565 -2.960 1.00 0.00 N ATOM 275 CA SER A 20 -11.020 -2.433 -4.085 1.00 0.00 C ATOM 276 C SER A 20 -9.912 -2.539 -5.150 1.00 0.00 C ATOM 277 O SER A 20 -9.524 -3.652 -5.519 1.00 0.00 O ATOM 278 CB SER A 20 -12.345 -1.957 -4.703 1.00 0.00 C ATOM 279 OG SER A 20 -12.759 -2.836 -5.738 1.00 0.00 O ATOM 0 H SER A 20 -11.247 -0.744 -2.870 1.00 0.00 H new ATOM 0 HA SER A 20 -11.153 -3.440 -3.689 1.00 0.00 H new ATOM 0 HB2 SER A 20 -13.114 -1.906 -3.932 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.225 -0.949 -5.101 1.00 0.00 H new ATOM 0 HG SER A 20 -13.604 -2.518 -6.118 1.00 0.00 H new ATOM 285 N ARG A 21 -9.344 -1.411 -5.609 1.00 0.00 N ATOM 286 CA ARG A 21 -8.266 -1.411 -6.621 1.00 0.00 C ATOM 287 C ARG A 21 -6.931 -1.939 -6.088 1.00 0.00 C ATOM 288 O ARG A 21 -6.231 -2.646 -6.807 1.00 0.00 O ATOM 289 CB ARG A 21 -8.143 -0.038 -7.307 1.00 0.00 C ATOM 290 CG ARG A 21 -7.372 1.035 -6.521 1.00 0.00 C ATOM 291 CD ARG A 21 -7.407 2.413 -7.185 1.00 0.00 C ATOM 292 NE ARG A 21 -6.680 2.429 -8.472 1.00 0.00 N ATOM 293 CZ ARG A 21 -7.192 2.444 -9.692 1.00 0.00 C ATOM 294 NH1 ARG A 21 -8.474 2.450 -9.925 1.00 0.00 N1+ ATOM 295 NH2 ARG A 21 -6.407 2.457 -10.731 1.00 0.00 N ATOM 0 H ARG A 21 -9.614 -0.479 -5.294 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.557 -2.127 -7.389 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.654 -0.177 -8.271 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -9.146 0.337 -7.510 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -7.791 1.112 -5.518 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.335 0.719 -6.410 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -8.443 2.709 -7.351 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -6.969 3.150 -6.512 1.00 0.00 H new ATOM 0 HE ARG A 21 -5.662 2.428 -8.412 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -9.134 2.443 -9.147 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -8.818 2.462 -10.885 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -5.395 2.456 -10.605 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -6.804 2.469 -11.670 1.00 0.00 H new ATOM 309 N LEU A 22 -6.605 -1.683 -4.817 1.00 0.00 N ATOM 310 CA LEU A 22 -5.400 -2.195 -4.141 1.00 0.00 C ATOM 311 C LEU A 22 -5.363 -3.734 -4.089 1.00 0.00 C ATOM 312 O LEU A 22 -4.287 -4.325 -4.186 1.00 0.00 O ATOM 313 CB LEU A 22 -5.312 -1.586 -2.729 1.00 0.00 C ATOM 314 CG LEU A 22 -4.507 -0.270 -2.601 1.00 0.00 C ATOM 315 CD1 LEU A 22 -4.647 0.739 -3.744 1.00 0.00 C ATOM 316 CD2 LEU A 22 -4.920 0.443 -1.311 1.00 0.00 C ATOM 0 H LEU A 22 -7.183 -1.100 -4.212 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.529 -1.892 -4.722 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -6.325 -1.404 -2.371 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.867 -2.326 -2.064 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.466 -0.594 -2.617 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.034 1.615 -3.533 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.316 0.281 -4.676 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.690 1.040 -3.838 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.358 1.372 -1.212 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.986 0.666 -1.344 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.710 -0.200 -0.457 1.00 0.00 H new ATOM 328 N SER A 23 -6.526 -4.391 -4.016 1.00 0.00 N ATOM 329 CA SER A 23 -6.671 -5.855 -4.089 1.00 0.00 C ATOM 330 C SER A 23 -6.172 -6.473 -5.408 1.00 0.00 C ATOM 331 O SER A 23 -5.781 -7.647 -5.430 1.00 0.00 O ATOM 332 CB SER A 23 -8.147 -6.229 -3.886 1.00 0.00 C ATOM 333 OG SER A 23 -8.297 -7.620 -3.661 1.00 0.00 O ATOM 0 H SER A 23 -7.418 -3.909 -3.901 1.00 0.00 H new ATOM 0 HA SER A 23 -6.041 -6.264 -3.299 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.552 -5.675 -3.039 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.723 -5.936 -4.764 1.00 0.00 H new ATOM 0 HG SER A 23 -9.246 -7.830 -3.533 1.00 0.00 H new ATOM 339 N ARG A 24 -6.162 -5.711 -6.513 1.00 0.00 N ATOM 340 CA ARG A 24 -5.825 -6.195 -7.866 1.00 0.00 C ATOM 341 C ARG A 24 -4.321 -6.389 -8.116 1.00 0.00 C ATOM 342 O ARG A 24 -3.951 -7.139 -9.022 1.00 0.00 O ATOM 343 CB ARG A 24 -6.399 -5.226 -8.922 1.00 0.00 C ATOM 344 CG ARG A 24 -7.913 -4.943 -8.811 1.00 0.00 C ATOM 345 CD ARG A 24 -8.805 -6.191 -8.916 1.00 0.00 C ATOM 346 NE ARG A 24 -8.675 -6.867 -10.224 1.00 0.00 N ATOM 347 CZ ARG A 24 -9.268 -6.538 -11.357 1.00 0.00 C ATOM 348 NH1 ARG A 24 -10.081 -5.521 -11.458 1.00 0.00 N1+ ATOM 349 NH2 ARG A 24 -9.064 -7.239 -12.435 1.00 0.00 N ATOM 0 H ARG A 24 -6.393 -4.718 -6.493 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.276 -7.184 -7.950 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.864 -4.279 -8.850 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.195 -5.633 -9.912 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.109 -4.451 -7.858 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.197 -4.242 -9.596 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.543 -6.890 -8.121 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.845 -5.905 -8.759 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.058 -7.679 -10.255 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.280 -4.944 -10.641 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -10.517 -5.304 -12.354 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -8.443 -8.048 -12.408 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -9.525 -6.979 -13.307 1.00 0.00 H new ATOM 363 N LEU A 25 -3.462 -5.716 -7.344 1.00 0.00 N ATOM 364 CA LEU A 25 -2.004 -5.757 -7.517 1.00 0.00 C ATOM 365 C LEU A 25 -1.386 -7.070 -7.009 1.00 0.00 C ATOM 366 O LEU A 25 -1.817 -7.643 -6.002 1.00 0.00 O ATOM 367 CB LEU A 25 -1.338 -4.546 -6.830 1.00 0.00 C ATOM 368 CG LEU A 25 -1.537 -3.140 -7.440 1.00 0.00 C ATOM 369 CD1 LEU A 25 -1.546 -3.125 -8.968 1.00 0.00 C ATOM 370 CD2 LEU A 25 -2.799 -2.457 -6.924 1.00 0.00 C ATOM 0 H LEU A 25 -3.762 -5.120 -6.572 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.813 -5.707 -8.589 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.696 -4.513 -5.801 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.266 -4.739 -6.789 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.663 -2.579 -7.109 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.690 -2.104 -9.321 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.596 -3.507 -9.341 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.358 -3.753 -9.333 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.893 -1.473 -7.382 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.670 -3.061 -7.179 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.737 -2.349 -5.841 1.00 0.00 H new ATOM 382 N SER A 26 -0.321 -7.514 -7.683 1.00 0.00 N ATOM 383 CA SER A 26 0.590 -8.576 -7.220 1.00 0.00 C ATOM 384 C SER A 26 1.431 -8.124 -6.013 1.00 0.00 C ATOM 385 O SER A 26 1.515 -6.931 -5.709 1.00 0.00 O ATOM 386 CB SER A 26 1.478 -9.017 -8.393 1.00 0.00 C ATOM 387 OG SER A 26 2.300 -10.113 -8.031 1.00 0.00 O ATOM 0 H SER A 26 -0.057 -7.136 -8.593 1.00 0.00 H new ATOM 0 HA SER A 26 -0.001 -9.425 -6.877 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.853 -9.293 -9.242 1.00 0.00 H new ATOM 0 HB3 SER A 26 2.101 -8.182 -8.714 1.00 0.00 H new ATOM 0 HG SER A 26 2.853 -10.374 -8.797 1.00 0.00 H new ATOM 393 N LYS A 27 2.098 -9.065 -5.322 1.00 0.00 N ATOM 394 CA LYS A 27 2.899 -8.833 -4.098 1.00 0.00 C ATOM 395 C LYS A 27 3.994 -7.778 -4.281 1.00 0.00 C ATOM 396 O LYS A 27 4.185 -6.912 -3.431 1.00 0.00 O ATOM 397 CB LYS A 27 3.522 -10.177 -3.666 1.00 0.00 C ATOM 398 CG LYS A 27 4.095 -10.184 -2.238 1.00 0.00 C ATOM 399 CD LYS A 27 3.031 -10.087 -1.132 1.00 0.00 C ATOM 400 CE LYS A 27 3.708 -10.084 0.246 1.00 0.00 C ATOM 401 NZ LYS A 27 2.721 -10.125 1.353 1.00 0.00 N1+ ATOM 0 H LYS A 27 2.097 -10.044 -5.607 1.00 0.00 H new ATOM 0 HA LYS A 27 2.232 -8.442 -3.330 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.764 -10.956 -3.744 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.318 -10.436 -4.365 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.671 -11.098 -2.094 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.789 -9.350 -2.133 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.443 -9.178 -1.260 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.340 -10.927 -1.205 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.375 -10.943 0.324 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.325 -9.191 0.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.196 -9.901 2.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.971 -9.427 1.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.303 -11.076 1.410 1.00 0.00 H new ATOM 415 N ASN A 28 4.682 -7.828 -5.412 1.00 0.00 N ATOM 416 CA ASN A 28 5.693 -6.851 -5.808 1.00 0.00 C ATOM 417 C ASN A 28 5.075 -5.479 -6.151 1.00 0.00 C ATOM 418 O ASN A 28 5.603 -4.438 -5.756 1.00 0.00 O ATOM 419 CB ASN A 28 6.453 -7.461 -6.997 1.00 0.00 C ATOM 420 CG ASN A 28 7.403 -8.565 -6.568 1.00 0.00 C ATOM 421 OD1 ASN A 28 7.027 -9.713 -6.392 1.00 0.00 O ATOM 422 ND2 ASN A 28 8.669 -8.262 -6.388 1.00 0.00 N ATOM 0 H ASN A 28 4.551 -8.569 -6.101 1.00 0.00 H new ATOM 0 HA ASN A 28 6.375 -6.650 -4.982 1.00 0.00 H new ATOM 0 HB2 ASN A 28 5.738 -7.859 -7.717 1.00 0.00 H new ATOM 0 HB3 ASN A 28 7.015 -6.678 -7.506 1.00 0.00 H new ATOM 0 HD21 ASN A 28 9.331 -8.984 -6.103 1.00 0.00 H new ATOM 0 HD22 ASN A 28 8.990 -7.305 -6.533 1.00 0.00 H new ATOM 429 N GLN A 29 3.931 -5.478 -6.845 1.00 0.00 N ATOM 430 CA GLN A 29 3.246 -4.275 -7.328 1.00 0.00 C ATOM 431 C GLN A 29 2.590 -3.454 -6.207 1.00 0.00 C ATOM 432 O GLN A 29 2.693 -2.226 -6.217 1.00 0.00 O ATOM 433 CB GLN A 29 2.191 -4.681 -8.367 1.00 0.00 C ATOM 434 CG GLN A 29 2.774 -5.267 -9.662 1.00 0.00 C ATOM 435 CD GLN A 29 1.706 -5.885 -10.572 1.00 0.00 C ATOM 436 OE1 GLN A 29 0.582 -6.171 -10.175 1.00 0.00 O ATOM 437 NE2 GLN A 29 2.022 -6.145 -11.825 1.00 0.00 N ATOM 0 H GLN A 29 3.443 -6.339 -7.093 1.00 0.00 H new ATOM 0 HA GLN A 29 4.003 -3.631 -7.775 1.00 0.00 H new ATOM 0 HB2 GLN A 29 1.520 -5.414 -7.919 1.00 0.00 H new ATOM 0 HB3 GLN A 29 1.588 -3.808 -8.616 1.00 0.00 H new ATOM 0 HG2 GLN A 29 3.298 -4.481 -10.207 1.00 0.00 H new ATOM 0 HG3 GLN A 29 3.513 -6.027 -9.410 1.00 0.00 H new ATOM 0 HE21 GLN A 29 2.952 -5.915 -12.175 1.00 0.00 H new ATOM 0 HE22 GLN A 29 1.336 -6.576 -12.445 1.00 0.00 H new ATOM 446 N LEU A 30 1.955 -4.096 -5.217 1.00 0.00 N ATOM 447 CA LEU A 30 1.354 -3.405 -4.065 1.00 0.00 C ATOM 448 C LEU A 30 2.411 -2.708 -3.201 1.00 0.00 C ATOM 449 O LEU A 30 2.162 -1.615 -2.689 1.00 0.00 O ATOM 450 CB LEU A 30 0.457 -4.368 -3.252 1.00 0.00 C ATOM 451 CG LEU A 30 1.139 -5.573 -2.582 1.00 0.00 C ATOM 452 CD1 LEU A 30 1.678 -5.301 -1.171 1.00 0.00 C ATOM 453 CD2 LEU A 30 0.163 -6.742 -2.480 1.00 0.00 C ATOM 0 H LEU A 30 1.843 -5.109 -5.191 1.00 0.00 H new ATOM 0 HA LEU A 30 0.710 -2.613 -4.446 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.042 -3.789 -2.475 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.320 -4.747 -3.916 1.00 0.00 H new ATOM 0 HG LEU A 30 1.991 -5.800 -3.223 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.141 -6.206 -0.778 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.419 -4.502 -1.212 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.857 -5.001 -0.519 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.658 -7.589 -2.004 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.700 -6.444 -1.885 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.167 -7.029 -3.479 1.00 0.00 H new ATOM 465 N MET A 31 3.612 -3.287 -3.092 1.00 0.00 N ATOM 466 CA MET A 31 4.728 -2.672 -2.370 1.00 0.00 C ATOM 467 C MET A 31 5.342 -1.509 -3.156 1.00 0.00 C ATOM 468 O MET A 31 5.606 -0.466 -2.567 1.00 0.00 O ATOM 469 CB MET A 31 5.793 -3.715 -2.033 1.00 0.00 C ATOM 470 CG MET A 31 5.275 -4.702 -0.988 1.00 0.00 C ATOM 471 SD MET A 31 6.558 -5.723 -0.235 1.00 0.00 S ATOM 472 CE MET A 31 6.719 -7.009 -1.501 1.00 0.00 C ATOM 0 H MET A 31 3.836 -4.194 -3.502 1.00 0.00 H new ATOM 0 HA MET A 31 4.331 -2.266 -1.440 1.00 0.00 H new ATOM 0 HB2 MET A 31 6.080 -4.253 -2.937 1.00 0.00 H new ATOM 0 HB3 MET A 31 6.689 -3.219 -1.659 1.00 0.00 H new ATOM 0 HG2 MET A 31 4.761 -4.147 -0.203 1.00 0.00 H new ATOM 0 HG3 MET A 31 4.535 -5.353 -1.454 1.00 0.00 H new ATOM 0 HE1 MET A 31 7.749 -7.364 -1.530 1.00 0.00 H new ATOM 0 HE2 MET A 31 6.055 -7.840 -1.262 1.00 0.00 H new ATOM 0 HE3 MET A 31 6.449 -6.598 -2.474 1.00 0.00 H new ATOM 482 N ALA A 32 5.516 -1.644 -4.476 1.00 0.00 N ATOM 483 CA ALA A 32 5.959 -0.542 -5.325 1.00 0.00 C ATOM 484 C ALA A 32 4.989 0.657 -5.276 1.00 0.00 C ATOM 485 O ALA A 32 5.430 1.803 -5.180 1.00 0.00 O ATOM 486 CB ALA A 32 6.134 -1.065 -6.757 1.00 0.00 C ATOM 0 H ALA A 32 5.354 -2.516 -4.979 1.00 0.00 H new ATOM 0 HA ALA A 32 6.913 -0.170 -4.952 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.465 -0.252 -7.403 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.878 -1.861 -6.765 1.00 0.00 H new ATOM 0 HB3 ALA A 32 5.183 -1.454 -7.121 1.00 0.00 H new ATOM 492 N LEU A 33 3.671 0.403 -5.276 1.00 0.00 N ATOM 493 CA LEU A 33 2.636 1.430 -5.125 1.00 0.00 C ATOM 494 C LEU A 33 2.718 2.129 -3.757 1.00 0.00 C ATOM 495 O LEU A 33 2.763 3.358 -3.700 1.00 0.00 O ATOM 496 CB LEU A 33 1.252 0.789 -5.365 1.00 0.00 C ATOM 497 CG LEU A 33 0.056 1.750 -5.175 1.00 0.00 C ATOM 498 CD1 LEU A 33 0.071 2.901 -6.180 1.00 0.00 C ATOM 499 CD2 LEU A 33 -1.256 0.981 -5.343 1.00 0.00 C ATOM 0 H LEU A 33 3.292 -0.538 -5.383 1.00 0.00 H new ATOM 0 HA LEU A 33 2.798 2.210 -5.869 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.222 0.389 -6.379 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.134 -0.055 -4.686 1.00 0.00 H new ATOM 0 HG LEU A 33 0.139 2.168 -4.172 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.789 3.548 -6.005 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.989 3.477 -6.060 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.024 2.500 -7.193 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.097 1.662 -5.208 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.298 0.546 -6.342 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.310 0.186 -4.599 1.00 0.00 H new ATOM 511 N ALA A 34 2.784 1.373 -2.657 1.00 0.00 N ATOM 512 CA ALA A 34 2.903 1.939 -1.307 1.00 0.00 C ATOM 513 C ALA A 34 4.214 2.740 -1.109 1.00 0.00 C ATOM 514 O ALA A 34 4.202 3.809 -0.502 1.00 0.00 O ATOM 515 CB ALA A 34 2.776 0.796 -0.295 1.00 0.00 C ATOM 0 H ALA A 34 2.757 0.354 -2.675 1.00 0.00 H new ATOM 0 HA ALA A 34 2.101 2.661 -1.153 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.862 1.194 0.716 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.807 0.311 -0.413 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.569 0.068 -0.467 1.00 0.00 H new ATOM 521 N LEU A 35 5.330 2.272 -1.676 1.00 0.00 N ATOM 522 CA LEU A 35 6.625 2.960 -1.668 1.00 0.00 C ATOM 523 C LEU A 35 6.577 4.275 -2.470 1.00 0.00 C ATOM 524 O LEU A 35 7.043 5.312 -1.995 1.00 0.00 O ATOM 525 CB LEU A 35 7.680 1.951 -2.187 1.00 0.00 C ATOM 526 CG LEU A 35 9.173 2.279 -2.015 1.00 0.00 C ATOM 527 CD1 LEU A 35 9.671 3.441 -2.865 1.00 0.00 C ATOM 528 CD2 LEU A 35 9.508 2.534 -0.549 1.00 0.00 C ATOM 0 H LEU A 35 5.358 1.379 -2.167 1.00 0.00 H new ATOM 0 HA LEU A 35 6.898 3.273 -0.660 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.494 0.997 -1.694 1.00 0.00 H new ATOM 0 HB3 LEU A 35 7.496 1.801 -3.251 1.00 0.00 H new ATOM 0 HG LEU A 35 9.697 1.394 -2.375 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.733 3.600 -2.678 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.518 3.212 -3.920 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.118 4.344 -2.606 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.569 2.764 -0.453 1.00 0.00 H new ATOM 0 HD22 LEU A 35 8.920 3.375 -0.182 1.00 0.00 H new ATOM 0 HD23 LEU A 35 9.275 1.645 0.037 1.00 0.00 H new ATOM 540 N LYS A 36 5.938 4.264 -3.648 1.00 0.00 N ATOM 541 CA LYS A 36 5.659 5.459 -4.471 1.00 0.00 C ATOM 542 C LYS A 36 4.814 6.487 -3.704 1.00 0.00 C ATOM 543 O LYS A 36 5.180 7.662 -3.646 1.00 0.00 O ATOM 544 CB LYS A 36 5.003 5.009 -5.787 1.00 0.00 C ATOM 545 CG LYS A 36 4.747 6.151 -6.772 1.00 0.00 C ATOM 546 CD LYS A 36 4.189 5.599 -8.090 1.00 0.00 C ATOM 547 CE LYS A 36 3.897 6.737 -9.072 1.00 0.00 C ATOM 548 NZ LYS A 36 3.388 6.220 -10.369 1.00 0.00 N1+ ATOM 0 H LYS A 36 5.590 3.403 -4.070 1.00 0.00 H new ATOM 0 HA LYS A 36 6.592 5.971 -4.708 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.642 4.266 -6.265 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.057 4.518 -5.561 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.043 6.862 -6.340 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.674 6.694 -6.960 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.905 4.905 -8.532 1.00 0.00 H new ATOM 0 HD3 LYS A 36 3.276 5.035 -7.897 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.163 7.416 -8.637 1.00 0.00 H new ATOM 0 HE3 LYS A 36 4.805 7.315 -9.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.200 7.017 -11.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 4.099 5.592 -10.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.508 5.689 -10.210 1.00 0.00 H new ATOM 562 N LEU A 37 3.750 6.035 -3.031 1.00 0.00 N ATOM 563 CA LEU A 37 2.934 6.861 -2.125 1.00 0.00 C ATOM 564 C LEU A 37 3.760 7.445 -0.962 1.00 0.00 C ATOM 565 O LEU A 37 3.546 8.602 -0.588 1.00 0.00 O ATOM 566 CB LEU A 37 1.783 6.000 -1.568 1.00 0.00 C ATOM 567 CG LEU A 37 0.409 6.181 -2.234 1.00 0.00 C ATOM 568 CD1 LEU A 37 0.413 5.994 -3.753 1.00 0.00 C ATOM 569 CD2 LEU A 37 -0.545 5.161 -1.617 1.00 0.00 C ATOM 0 H LEU A 37 3.424 5.071 -3.099 1.00 0.00 H new ATOM 0 HA LEU A 37 2.543 7.704 -2.695 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.069 4.952 -1.653 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.678 6.216 -0.505 1.00 0.00 H new ATOM 0 HG LEU A 37 0.101 7.212 -2.058 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.596 6.139 -4.140 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.085 6.722 -4.207 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.753 4.987 -3.995 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.531 5.265 -2.070 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.167 4.154 -1.796 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.619 5.335 -0.543 1.00 0.00 H new ATOM 581 N LYS A 38 4.704 6.677 -0.403 1.00 0.00 N ATOM 582 CA LYS A 38 5.546 7.115 0.718 1.00 0.00 C ATOM 583 C LYS A 38 6.535 8.211 0.324 1.00 0.00 C ATOM 584 O LYS A 38 6.563 9.258 0.972 1.00 0.00 O ATOM 585 CB LYS A 38 6.244 5.910 1.380 1.00 0.00 C ATOM 586 CG LYS A 38 6.944 6.263 2.710 1.00 0.00 C ATOM 587 CD LYS A 38 5.961 6.787 3.775 1.00 0.00 C ATOM 588 CE LYS A 38 6.645 7.003 5.128 1.00 0.00 C ATOM 589 NZ LYS A 38 5.682 7.502 6.146 1.00 0.00 N1+ ATOM 0 H LYS A 38 4.906 5.728 -0.718 1.00 0.00 H new ATOM 0 HA LYS A 38 4.887 7.568 1.458 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.507 5.128 1.562 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.980 5.500 0.688 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.453 5.379 3.094 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.709 7.017 2.525 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.525 7.726 3.435 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.141 6.078 3.892 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.085 6.066 5.469 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.461 7.717 5.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.204 7.923 6.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.065 8.221 5.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.103 6.711 6.493 1.00 0.00 H new ATOM 603 N GLN A 39 7.311 8.030 -0.750 1.00 0.00 N ATOM 604 CA GLN A 39 8.253 9.065 -1.200 1.00 0.00 C ATOM 605 C GLN A 39 7.534 10.347 -1.669 1.00 0.00 C ATOM 606 O GLN A 39 8.057 11.443 -1.467 1.00 0.00 O ATOM 607 CB GLN A 39 9.247 8.505 -2.236 1.00 0.00 C ATOM 608 CG GLN A 39 8.633 8.087 -3.577 1.00 0.00 C ATOM 609 CD GLN A 39 9.673 7.445 -4.490 1.00 0.00 C ATOM 610 OE1 GLN A 39 10.643 8.060 -4.922 1.00 0.00 O ATOM 611 NE2 GLN A 39 9.530 6.180 -4.817 1.00 0.00 N ATOM 0 H GLN A 39 7.307 7.185 -1.321 1.00 0.00 H new ATOM 0 HA GLN A 39 8.847 9.369 -0.338 1.00 0.00 H new ATOM 0 HB2 GLN A 39 10.012 9.258 -2.425 1.00 0.00 H new ATOM 0 HB3 GLN A 39 9.751 7.642 -1.801 1.00 0.00 H new ATOM 0 HG2 GLN A 39 7.817 7.385 -3.402 1.00 0.00 H new ATOM 0 HG3 GLN A 39 8.203 8.959 -4.070 1.00 0.00 H new ATOM 0 HE21 GLN A 39 8.731 5.650 -4.469 1.00 0.00 H new ATOM 0 HE22 GLN A 39 10.218 5.728 -5.419 1.00 0.00 H new ATOM 620 N GLN A 40 6.301 10.248 -2.181 1.00 0.00 N ATOM 621 CA GLN A 40 5.441 11.405 -2.471 1.00 0.00 C ATOM 622 C GLN A 40 5.115 12.242 -1.220 1.00 0.00 C ATOM 623 O GLN A 40 5.344 13.454 -1.227 1.00 0.00 O ATOM 624 CB GLN A 40 4.155 10.942 -3.169 1.00 0.00 C ATOM 625 CG GLN A 40 4.389 10.625 -4.660 1.00 0.00 C ATOM 626 CD GLN A 40 3.254 9.824 -5.300 1.00 0.00 C ATOM 627 OE1 GLN A 40 2.298 9.389 -4.674 1.00 0.00 O ATOM 628 NE2 GLN A 40 3.296 9.617 -6.597 1.00 0.00 N ATOM 0 H GLN A 40 5.867 9.354 -2.408 1.00 0.00 H new ATOM 0 HA GLN A 40 6.000 12.061 -3.138 1.00 0.00 H new ATOM 0 HB2 GLN A 40 3.769 10.055 -2.666 1.00 0.00 H new ATOM 0 HB3 GLN A 40 3.394 11.717 -3.078 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.516 11.560 -5.206 1.00 0.00 H new ATOM 0 HG3 GLN A 40 5.320 10.067 -4.763 1.00 0.00 H new ATOM 0 HE21 GLN A 40 4.082 9.969 -7.144 1.00 0.00 H new ATOM 0 HE22 GLN A 40 2.543 9.105 -7.056 1.00 0.00 H new ATOM 637 N GLN A 41 4.637 11.637 -0.123 1.00 0.00 N ATOM 638 CA GLN A 41 4.376 12.381 1.129 1.00 0.00 C ATOM 639 C GLN A 41 5.655 12.902 1.822 1.00 0.00 C ATOM 640 O GLN A 41 5.574 13.882 2.565 1.00 0.00 O ATOM 641 CB GLN A 41 3.492 11.573 2.098 1.00 0.00 C ATOM 642 CG GLN A 41 4.130 10.286 2.631 1.00 0.00 C ATOM 643 CD GLN A 41 3.401 9.704 3.837 1.00 0.00 C ATOM 644 OE1 GLN A 41 3.988 9.455 4.884 1.00 0.00 O ATOM 645 NE2 GLN A 41 2.114 9.472 3.749 1.00 0.00 N ATOM 0 H GLN A 41 4.423 10.641 -0.072 1.00 0.00 H new ATOM 0 HA GLN A 41 3.821 13.271 0.831 1.00 0.00 H new ATOM 0 HB2 GLN A 41 3.230 12.209 2.944 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.562 11.317 1.591 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.150 9.542 1.834 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.165 10.489 2.905 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.617 9.676 2.882 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.609 9.087 4.548 1.00 0.00 H new ATOM 901 N LYS B 115 14.477 2.147 1.122 1.00 0.00 N ATOM 902 CA LYS B 115 13.406 1.540 0.317 1.00 0.00 C ATOM 903 C LYS B 115 13.374 0.014 0.415 1.00 0.00 C ATOM 904 O LYS B 115 12.291 -0.567 0.430 1.00 0.00 O ATOM 905 CB LYS B 115 13.581 1.983 -1.147 1.00 0.00 C ATOM 906 CG LYS B 115 13.390 3.499 -1.306 1.00 0.00 C ATOM 907 CD LYS B 115 13.647 3.963 -2.742 1.00 0.00 C ATOM 908 CE LYS B 115 13.170 5.412 -2.889 1.00 0.00 C ATOM 909 NZ LYS B 115 13.611 6.005 -4.174 1.00 0.00 N1+ ATOM 0 HA LYS B 115 12.451 1.886 0.712 1.00 0.00 H new ATOM 0 HB2 LYS B 115 14.575 1.702 -1.496 1.00 0.00 H new ATOM 0 HB3 LYS B 115 12.862 1.457 -1.775 1.00 0.00 H new ATOM 0 HG2 LYS B 115 12.375 3.769 -1.014 1.00 0.00 H new ATOM 0 HG3 LYS B 115 14.066 4.022 -0.630 1.00 0.00 H new ATOM 0 HD2 LYS B 115 14.709 3.890 -2.977 1.00 0.00 H new ATOM 0 HD3 LYS B 115 13.120 3.319 -3.446 1.00 0.00 H new ATOM 0 HE2 LYS B 115 12.082 5.445 -2.827 1.00 0.00 H new ATOM 0 HE3 LYS B 115 13.555 6.008 -2.062 1.00 0.00 H new ATOM 0 HZ1 LYS B 115 13.270 6.985 -4.239 1.00 0.00 H new ATOM 0 HZ2 LYS B 115 14.650 5.996 -4.222 1.00 0.00 H new ATOM 0 HZ3 LYS B 115 13.223 5.451 -4.964 1.00 0.00 H new ATOM 923 N ASP B 116 14.533 -0.636 0.536 1.00 0.00 N ATOM 924 CA ASP B 116 14.638 -2.094 0.702 1.00 0.00 C ATOM 925 C ASP B 116 14.102 -2.561 2.071 1.00 0.00 C ATOM 926 O ASP B 116 13.396 -3.570 2.159 1.00 0.00 O ATOM 927 CB ASP B 116 16.095 -2.549 0.515 1.00 0.00 C ATOM 928 CG ASP B 116 16.700 -2.265 -0.875 1.00 0.00 C ATOM 929 OD1 ASP B 116 17.944 -2.362 -1.011 1.00 0.00 O ATOM 930 OD2 ASP B 116 15.957 -1.995 -1.850 1.00 0.00 O1- ATOM 0 H ASP B 116 15.437 -0.163 0.522 1.00 0.00 H new ATOM 0 HA ASP B 116 14.017 -2.555 -0.066 1.00 0.00 H new ATOM 0 HB2 ASP B 116 16.711 -2.059 1.269 1.00 0.00 H new ATOM 0 HB3 ASP B 116 16.151 -3.621 0.706 1.00 0.00 H new ATOM 935 N ASP B 117 14.372 -1.800 3.135 1.00 0.00 N ATOM 936 CA ASP B 117 13.798 -2.037 4.471 1.00 0.00 C ATOM 937 C ASP B 117 12.286 -1.745 4.507 1.00 0.00 C ATOM 938 O ASP B 117 11.537 -2.450 5.186 1.00 0.00 O ATOM 939 CB ASP B 117 14.536 -1.197 5.524 1.00 0.00 C ATOM 940 CG ASP B 117 16.028 -1.544 5.697 1.00 0.00 C ATOM 941 OD1 ASP B 117 16.779 -0.686 6.225 1.00 0.00 O ATOM 942 OD2 ASP B 117 16.462 -2.678 5.370 1.00 0.00 O1- ATOM 0 H ASP B 117 14.998 -0.996 3.098 1.00 0.00 H new ATOM 0 HA ASP B 117 13.929 -3.094 4.704 1.00 0.00 H new ATOM 0 HB2 ASP B 117 14.451 -0.144 5.254 1.00 0.00 H new ATOM 0 HB3 ASP B 117 14.035 -1.321 6.484 1.00 0.00 H new ATOM 947 N TYR B 118 11.821 -0.752 3.735 1.00 0.00 N ATOM 948 CA TYR B 118 10.398 -0.429 3.637 1.00 0.00 C ATOM 949 C TYR B 118 9.617 -1.530 2.899 1.00 0.00 C ATOM 950 O TYR B 118 8.586 -1.978 3.385 1.00 0.00 O ATOM 951 CB TYR B 118 10.219 0.960 3.002 1.00 0.00 C ATOM 952 CG TYR B 118 8.995 1.683 3.512 1.00 0.00 C ATOM 953 CD1 TYR B 118 9.060 2.332 4.760 1.00 0.00 C ATOM 954 CD2 TYR B 118 7.798 1.712 2.770 1.00 0.00 C ATOM 955 CE1 TYR B 118 7.931 2.988 5.284 1.00 0.00 C ATOM 956 CE2 TYR B 118 6.663 2.369 3.291 1.00 0.00 C ATOM 957 CZ TYR B 118 6.727 3.004 4.549 1.00 0.00 C ATOM 958 OH TYR B 118 5.621 3.586 5.076 1.00 0.00 O ATOM 0 H TYR B 118 12.421 -0.155 3.165 1.00 0.00 H new ATOM 0 HA TYR B 118 9.974 -0.389 4.640 1.00 0.00 H new ATOM 0 HB2 TYR B 118 11.103 1.564 3.205 1.00 0.00 H new ATOM 0 HB3 TYR B 118 10.148 0.853 1.920 1.00 0.00 H new ATOM 0 HD1 TYR B 118 9.984 2.326 5.319 1.00 0.00 H new ATOM 0 HD2 TYR B 118 7.749 1.232 1.804 1.00 0.00 H new ATOM 0 HE1 TYR B 118 7.986 3.477 6.245 1.00 0.00 H new ATOM 0 HE2 TYR B 118 5.743 2.386 2.725 1.00 0.00 H new ATOM 0 HH TYR B 118 5.877 4.143 5.841 1.00 0.00 H new ATOM 968 N LEU B 119 10.144 -2.055 1.787 1.00 0.00 N ATOM 969 CA LEU B 119 9.602 -3.252 1.128 1.00 0.00 C ATOM 970 C LEU B 119 9.648 -4.483 2.053 1.00 0.00 C ATOM 971 O LEU B 119 8.669 -5.228 2.124 1.00 0.00 O ATOM 972 CB LEU B 119 10.378 -3.498 -0.183 1.00 0.00 C ATOM 973 CG LEU B 119 9.701 -2.909 -1.432 1.00 0.00 C ATOM 974 CD1 LEU B 119 9.319 -1.431 -1.327 1.00 0.00 C ATOM 975 CD2 LEU B 119 10.608 -3.083 -2.653 1.00 0.00 C ATOM 0 H LEU B 119 10.960 -1.662 1.317 1.00 0.00 H new ATOM 0 HA LEU B 119 8.550 -3.084 0.896 1.00 0.00 H new ATOM 0 HB2 LEU B 119 11.376 -3.070 -0.088 1.00 0.00 H new ATOM 0 HB3 LEU B 119 10.503 -4.572 -0.323 1.00 0.00 H new ATOM 0 HG LEU B 119 8.770 -3.467 -1.531 1.00 0.00 H new ATOM 0 HD11 LEU B 119 8.849 -1.110 -2.256 1.00 0.00 H new ATOM 0 HD12 LEU B 119 8.621 -1.293 -0.501 1.00 0.00 H new ATOM 0 HD13 LEU B 119 10.214 -0.836 -1.149 1.00 0.00 H new ATOM 0 HD21 LEU B 119 10.119 -2.663 -3.532 1.00 0.00 H new ATOM 0 HD22 LEU B 119 11.552 -2.567 -2.481 1.00 0.00 H new ATOM 0 HD23 LEU B 119 10.799 -4.144 -2.816 1.00 0.00 H new ATOM 987 N SER B 120 10.726 -4.675 2.824 1.00 0.00 N ATOM 988 CA SER B 120 10.834 -5.779 3.791 1.00 0.00 C ATOM 989 C SER B 120 9.707 -5.751 4.836 1.00 0.00 C ATOM 990 O SER B 120 9.082 -6.791 5.069 1.00 0.00 O ATOM 991 CB SER B 120 12.211 -5.782 4.468 1.00 0.00 C ATOM 992 OG SER B 120 12.335 -6.877 5.360 1.00 0.00 O ATOM 0 H SER B 120 11.548 -4.071 2.796 1.00 0.00 H new ATOM 0 HA SER B 120 10.724 -6.707 3.229 1.00 0.00 H new ATOM 0 HB2 SER B 120 12.993 -5.835 3.710 1.00 0.00 H new ATOM 0 HB3 SER B 120 12.356 -4.848 5.011 1.00 0.00 H new ATOM 0 HG SER B 120 13.221 -6.859 5.779 1.00 0.00 H new ATOM 998 N ARG B 121 9.384 -4.588 5.427 1.00 0.00 N ATOM 999 CA ARG B 121 8.299 -4.472 6.422 1.00 0.00 C ATOM 1000 C ARG B 121 6.897 -4.531 5.803 1.00 0.00 C ATOM 1001 O ARG B 121 5.996 -5.100 6.413 1.00 0.00 O ATOM 1002 CB ARG B 121 8.505 -3.234 7.324 1.00 0.00 C ATOM 1003 CG ARG B 121 7.881 -1.934 6.787 1.00 0.00 C ATOM 1004 CD ARG B 121 8.150 -0.711 7.668 1.00 0.00 C ATOM 1005 NE ARG B 121 7.232 0.385 7.293 1.00 0.00 N ATOM 1006 CZ ARG B 121 6.046 0.642 7.823 1.00 0.00 C ATOM 1007 NH1 ARG B 121 5.585 -0.012 8.855 1.00 0.00 N1+ ATOM 1008 NH2 ARG B 121 5.275 1.559 7.321 1.00 0.00 N ATOM 0 H ARG B 121 9.862 -3.708 5.232 1.00 0.00 H new ATOM 0 HA ARG B 121 8.358 -5.354 7.059 1.00 0.00 H new ATOM 0 HB2 ARG B 121 8.083 -3.444 8.307 1.00 0.00 H new ATOM 0 HB3 ARG B 121 9.575 -3.077 7.463 1.00 0.00 H new ATOM 0 HG2 ARG B 121 8.268 -1.742 5.786 1.00 0.00 H new ATOM 0 HG3 ARG B 121 6.804 -2.071 6.691 1.00 0.00 H new ATOM 0 HD2 ARG B 121 8.013 -0.970 8.718 1.00 0.00 H new ATOM 0 HD3 ARG B 121 9.184 -0.388 7.552 1.00 0.00 H new ATOM 0 HE ARG B 121 7.545 1.008 6.549 1.00 0.00 H new ATOM 0 HH11 ARG B 121 6.144 -0.751 9.282 1.00 0.00 H new ATOM 0 HH12 ARG B 121 4.666 0.216 9.234 1.00 0.00 H new ATOM 0 HH21 ARG B 121 5.580 2.093 6.507 1.00 0.00 H new ATOM 0 HH22 ARG B 121 4.364 1.745 7.741 1.00 0.00 H new ATOM 1022 N LEU B 122 6.697 -3.984 4.599 1.00 0.00 N ATOM 1023 CA LEU B 122 5.406 -3.999 3.891 1.00 0.00 C ATOM 1024 C LEU B 122 4.971 -5.427 3.507 1.00 0.00 C ATOM 1025 O LEU B 122 3.784 -5.745 3.579 1.00 0.00 O ATOM 1026 CB LEU B 122 5.496 -3.110 2.635 1.00 0.00 C ATOM 1027 CG LEU B 122 5.009 -1.653 2.795 1.00 0.00 C ATOM 1028 CD1 LEU B 122 5.463 -0.921 4.062 1.00 0.00 C ATOM 1029 CD2 LEU B 122 5.500 -0.863 1.579 1.00 0.00 C ATOM 0 H LEU B 122 7.436 -3.511 4.079 1.00 0.00 H new ATOM 0 HA LEU B 122 4.648 -3.605 4.568 1.00 0.00 H new ATOM 0 HB2 LEU B 122 6.534 -3.090 2.303 1.00 0.00 H new ATOM 0 HB3 LEU B 122 4.916 -3.580 1.840 1.00 0.00 H new ATOM 0 HG LEU B 122 3.924 -1.712 2.878 1.00 0.00 H new ATOM 0 HD11 LEU B 122 5.059 0.091 4.062 1.00 0.00 H new ATOM 0 HD12 LEU B 122 5.102 -1.456 4.940 1.00 0.00 H new ATOM 0 HD13 LEU B 122 6.552 -0.877 4.086 1.00 0.00 H new ATOM 0 HD21 LEU B 122 5.172 0.173 1.662 1.00 0.00 H new ATOM 0 HD22 LEU B 122 6.589 -0.897 1.539 1.00 0.00 H new ATOM 0 HD23 LEU B 122 5.090 -1.302 0.670 1.00 0.00 H new ATOM 1041 N SER B 123 5.920 -6.298 3.150 1.00 0.00 N ATOM 1042 CA SER B 123 5.667 -7.700 2.798 1.00 0.00 C ATOM 1043 C SER B 123 5.020 -8.522 3.933 1.00 0.00 C ATOM 1044 O SER B 123 4.316 -9.502 3.668 1.00 0.00 O ATOM 1045 CB SER B 123 6.988 -8.347 2.371 1.00 0.00 C ATOM 1046 OG SER B 123 6.768 -9.638 1.828 1.00 0.00 O ATOM 0 H SER B 123 6.906 -6.043 3.096 1.00 0.00 H new ATOM 0 HA SER B 123 4.945 -7.700 1.981 1.00 0.00 H new ATOM 0 HB2 SER B 123 7.484 -7.717 1.632 1.00 0.00 H new ATOM 0 HB3 SER B 123 7.656 -8.418 3.229 1.00 0.00 H new ATOM 0 HG SER B 123 7.625 -10.031 1.561 1.00 0.00 H new ATOM 1052 N ARG B 124 5.210 -8.120 5.200 1.00 0.00 N ATOM 1053 CA ARG B 124 4.766 -8.878 6.390 1.00 0.00 C ATOM 1054 C ARG B 124 3.257 -8.806 6.646 1.00 0.00 C ATOM 1055 O ARG B 124 2.708 -9.678 7.322 1.00 0.00 O ATOM 1056 CB ARG B 124 5.502 -8.374 7.650 1.00 0.00 C ATOM 1057 CG ARG B 124 7.015 -8.160 7.498 1.00 0.00 C ATOM 1058 CD ARG B 124 7.748 -9.368 6.910 1.00 0.00 C ATOM 1059 NE ARG B 124 9.182 -9.066 6.725 1.00 0.00 N ATOM 1060 CZ ARG B 124 10.235 -9.660 7.253 1.00 0.00 C ATOM 1061 NH1 ARG B 124 10.138 -10.690 8.047 1.00 0.00 N1+ ATOM 1062 NH2 ARG B 124 11.429 -9.221 6.982 1.00 0.00 N ATOM 0 H ARG B 124 5.683 -7.247 5.434 1.00 0.00 H new ATOM 0 HA ARG B 124 5.010 -9.919 6.180 1.00 0.00 H new ATOM 0 HB2 ARG B 124 5.050 -7.432 7.960 1.00 0.00 H new ATOM 0 HB3 ARG B 124 5.334 -9.088 8.456 1.00 0.00 H new ATOM 0 HG2 ARG B 124 7.189 -7.294 6.859 1.00 0.00 H new ATOM 0 HG3 ARG B 124 7.441 -7.927 8.474 1.00 0.00 H new ATOM 0 HD2 ARG B 124 7.634 -10.227 7.572 1.00 0.00 H new ATOM 0 HD3 ARG B 124 7.302 -9.641 5.954 1.00 0.00 H new ATOM 0 HE ARG B 124 9.387 -8.287 6.100 1.00 0.00 H new ATOM 0 HH11 ARG B 124 9.220 -11.068 8.282 1.00 0.00 H new ATOM 0 HH12 ARG B 124 10.980 -11.118 8.433 1.00 0.00 H new ATOM 0 HH21 ARG B 124 11.549 -8.419 6.363 1.00 0.00 H new ATOM 0 HH22 ARG B 124 12.245 -9.678 7.389 1.00 0.00 H new ATOM 1076 N LEU B 125 2.598 -7.777 6.117 1.00 0.00 N ATOM 1077 CA LEU B 125 1.160 -7.525 6.274 1.00 0.00 C ATOM 1078 C LEU B 125 0.288 -8.530 5.493 1.00 0.00 C ATOM 1079 O LEU B 125 0.614 -8.936 4.372 1.00 0.00 O ATOM 1080 CB LEU B 125 0.805 -6.073 5.875 1.00 0.00 C ATOM 1081 CG LEU B 125 1.235 -4.927 6.817 1.00 0.00 C ATOM 1082 CD1 LEU B 125 1.128 -5.261 8.306 1.00 0.00 C ATOM 1083 CD2 LEU B 125 2.647 -4.425 6.537 1.00 0.00 C ATOM 0 H LEU B 125 3.063 -7.070 5.547 1.00 0.00 H new ATOM 0 HA LEU B 125 0.936 -7.665 7.331 1.00 0.00 H new ATOM 0 HB2 LEU B 125 1.244 -5.881 4.896 1.00 0.00 H new ATOM 0 HB3 LEU B 125 -0.277 -6.016 5.756 1.00 0.00 H new ATOM 0 HG LEU B 125 0.515 -4.140 6.593 1.00 0.00 H new ATOM 0 HD11 LEU B 125 1.449 -4.402 8.896 1.00 0.00 H new ATOM 0 HD12 LEU B 125 0.094 -5.503 8.551 1.00 0.00 H new ATOM 0 HD13 LEU B 125 1.765 -6.116 8.534 1.00 0.00 H new ATOM 0 HD21 LEU B 125 2.891 -3.621 7.231 1.00 0.00 H new ATOM 0 HD22 LEU B 125 3.356 -5.243 6.665 1.00 0.00 H new ATOM 0 HD23 LEU B 125 2.704 -4.052 5.514 1.00 0.00 H new ATOM 1095 N SER B 126 -0.859 -8.890 6.082 1.00 0.00 N ATOM 1096 CA SER B 126 -1.941 -9.649 5.442 1.00 0.00 C ATOM 1097 C SER B 126 -2.691 -8.820 4.376 1.00 0.00 C ATOM 1098 O SER B 126 -2.525 -7.599 4.297 1.00 0.00 O ATOM 1099 CB SER B 126 -2.903 -10.159 6.530 1.00 0.00 C ATOM 1100 OG SER B 126 -3.883 -11.028 5.983 1.00 0.00 O ATOM 0 H SER B 126 -1.067 -8.652 7.052 1.00 0.00 H new ATOM 0 HA SER B 126 -1.503 -10.495 4.912 1.00 0.00 H new ATOM 0 HB2 SER B 126 -2.339 -10.683 7.301 1.00 0.00 H new ATOM 0 HB3 SER B 126 -3.392 -9.313 7.012 1.00 0.00 H new ATOM 0 HG SER B 126 -4.479 -11.338 6.696 1.00 0.00 H new ATOM 1106 N LYS B 127 -3.539 -9.462 3.561 1.00 0.00 N ATOM 1107 CA LYS B 127 -4.233 -8.869 2.397 1.00 0.00 C ATOM 1108 C LYS B 127 -5.034 -7.607 2.728 1.00 0.00 C ATOM 1109 O LYS B 127 -5.019 -6.647 1.961 1.00 0.00 O ATOM 1110 CB LYS B 127 -5.166 -9.937 1.796 1.00 0.00 C ATOM 1111 CG LYS B 127 -5.816 -9.547 0.453 1.00 0.00 C ATOM 1112 CD LYS B 127 -4.818 -9.406 -0.713 1.00 0.00 C ATOM 1113 CE LYS B 127 -5.450 -8.762 -1.956 1.00 0.00 C ATOM 1114 NZ LYS B 127 -6.498 -9.613 -2.580 1.00 0.00 N1+ ATOM 0 H LYS B 127 -3.773 -10.446 3.695 1.00 0.00 H new ATOM 0 HA LYS B 127 -3.468 -8.556 1.686 1.00 0.00 H new ATOM 0 HB2 LYS B 127 -4.599 -10.857 1.655 1.00 0.00 H new ATOM 0 HB3 LYS B 127 -5.955 -10.156 2.515 1.00 0.00 H new ATOM 0 HG2 LYS B 127 -6.561 -10.298 0.191 1.00 0.00 H new ATOM 0 HG3 LYS B 127 -6.346 -8.603 0.579 1.00 0.00 H new ATOM 0 HD2 LYS B 127 -3.969 -8.805 -0.389 1.00 0.00 H new ATOM 0 HD3 LYS B 127 -4.430 -10.390 -0.976 1.00 0.00 H new ATOM 0 HE2 LYS B 127 -5.886 -7.802 -1.680 1.00 0.00 H new ATOM 0 HE3 LYS B 127 -4.670 -8.558 -2.690 1.00 0.00 H new ATOM 0 HZ1 LYS B 127 -7.227 -9.008 -3.009 1.00 0.00 H new ATOM 0 HZ2 LYS B 127 -6.068 -10.211 -3.314 1.00 0.00 H new ATOM 0 HZ3 LYS B 127 -6.933 -10.216 -1.853 1.00 0.00 H new ATOM 1128 N ASN B 128 -5.724 -7.598 3.864 1.00 0.00 N ATOM 1129 CA ASN B 128 -6.518 -6.467 4.346 1.00 0.00 C ATOM 1130 C ASN B 128 -5.660 -5.393 5.043 1.00 0.00 C ATOM 1131 O ASN B 128 -5.962 -4.198 4.977 1.00 0.00 O ATOM 1132 CB ASN B 128 -7.598 -7.044 5.277 1.00 0.00 C ATOM 1133 CG ASN B 128 -8.755 -7.675 4.519 1.00 0.00 C ATOM 1134 OD1 ASN B 128 -8.596 -8.631 3.773 1.00 0.00 O ATOM 1135 ND2 ASN B 128 -9.958 -7.171 4.681 1.00 0.00 N ATOM 0 H ASN B 128 -5.749 -8.399 4.495 1.00 0.00 H new ATOM 0 HA ASN B 128 -6.976 -5.946 3.505 1.00 0.00 H new ATOM 0 HB2 ASN B 128 -7.147 -7.791 5.930 1.00 0.00 H new ATOM 0 HB3 ASN B 128 -7.980 -6.250 5.918 1.00 0.00 H new ATOM 0 HD21 ASN B 128 -10.752 -7.577 4.186 1.00 0.00 H new ATOM 0 HD22 ASN B 128 -10.098 -6.374 5.302 1.00 0.00 H new ATOM 1142 N GLN B 129 -4.556 -5.798 5.676 1.00 0.00 N ATOM 1143 CA GLN B 129 -3.626 -4.904 6.383 1.00 0.00 C ATOM 1144 C GLN B 129 -2.744 -4.087 5.423 1.00 0.00 C ATOM 1145 O GLN B 129 -2.518 -2.901 5.659 1.00 0.00 O ATOM 1146 CB GLN B 129 -2.739 -5.739 7.321 1.00 0.00 C ATOM 1147 CG GLN B 129 -3.496 -6.413 8.481 1.00 0.00 C ATOM 1148 CD GLN B 129 -2.626 -7.399 9.266 1.00 0.00 C ATOM 1149 OE1 GLN B 129 -1.621 -7.926 8.798 1.00 0.00 O ATOM 1150 NE2 GLN B 129 -2.991 -7.713 10.491 1.00 0.00 N ATOM 0 H GLN B 129 -4.275 -6.778 5.714 1.00 0.00 H new ATOM 0 HA GLN B 129 -4.222 -4.191 6.952 1.00 0.00 H new ATOM 0 HB2 GLN B 129 -2.236 -6.509 6.736 1.00 0.00 H new ATOM 0 HB3 GLN B 129 -1.963 -5.096 7.735 1.00 0.00 H new ATOM 0 HG2 GLN B 129 -3.869 -5.646 9.159 1.00 0.00 H new ATOM 0 HG3 GLN B 129 -4.365 -6.938 8.085 1.00 0.00 H new ATOM 0 HE21 GLN B 129 -3.823 -7.287 10.900 1.00 0.00 H new ATOM 0 HE22 GLN B 129 -2.442 -8.382 11.031 1.00 0.00 H new ATOM 1159 N LEU B 130 -2.280 -4.685 4.316 1.00 0.00 N ATOM 1160 CA LEU B 130 -1.528 -3.969 3.274 1.00 0.00 C ATOM 1161 C LEU B 130 -2.388 -2.913 2.551 1.00 0.00 C ATOM 1162 O LEU B 130 -1.857 -1.886 2.112 1.00 0.00 O ATOM 1163 CB LEU B 130 -0.841 -4.972 2.319 1.00 0.00 C ATOM 1164 CG LEU B 130 -1.742 -5.888 1.467 1.00 0.00 C ATOM 1165 CD1 LEU B 130 -2.259 -5.243 0.177 1.00 0.00 C ATOM 1166 CD2 LEU B 130 -0.973 -7.157 1.088 1.00 0.00 C ATOM 0 H LEU B 130 -2.415 -5.676 4.118 1.00 0.00 H new ATOM 0 HA LEU B 130 -0.735 -3.397 3.755 1.00 0.00 H new ATOM 0 HB2 LEU B 130 -0.203 -4.405 1.641 1.00 0.00 H new ATOM 0 HB3 LEU B 130 -0.186 -5.607 2.916 1.00 0.00 H new ATOM 0 HG LEU B 130 -2.610 -6.104 2.089 1.00 0.00 H new ATOM 0 HD11 LEU B 130 -2.884 -5.956 -0.361 1.00 0.00 H new ATOM 0 HD12 LEU B 130 -2.847 -4.358 0.423 1.00 0.00 H new ATOM 0 HD13 LEU B 130 -1.415 -4.955 -0.450 1.00 0.00 H new ATOM 0 HD21 LEU B 130 -1.612 -7.803 0.486 1.00 0.00 H new ATOM 0 HD22 LEU B 130 -0.086 -6.887 0.515 1.00 0.00 H new ATOM 0 HD23 LEU B 130 -0.673 -7.685 1.993 1.00 0.00 H new ATOM 1178 N MET B 131 -3.715 -3.102 2.497 1.00 0.00 N ATOM 1179 CA MET B 131 -4.632 -2.067 2.013 1.00 0.00 C ATOM 1180 C MET B 131 -4.710 -0.893 2.996 1.00 0.00 C ATOM 1181 O MET B 131 -4.582 0.254 2.578 1.00 0.00 O ATOM 1182 CB MET B 131 -6.049 -2.600 1.789 1.00 0.00 C ATOM 1183 CG MET B 131 -6.150 -3.698 0.733 1.00 0.00 C ATOM 1184 SD MET B 131 -7.786 -4.483 0.726 1.00 0.00 S ATOM 1185 CE MET B 131 -7.428 -5.834 -0.416 1.00 0.00 C ATOM 0 H MET B 131 -4.175 -3.966 2.784 1.00 0.00 H new ATOM 0 HA MET B 131 -4.226 -1.733 1.058 1.00 0.00 H new ATOM 0 HB2 MET B 131 -6.433 -2.985 2.734 1.00 0.00 H new ATOM 0 HB3 MET B 131 -6.694 -1.771 1.497 1.00 0.00 H new ATOM 0 HG2 MET B 131 -5.946 -3.275 -0.251 1.00 0.00 H new ATOM 0 HG3 MET B 131 -5.386 -4.453 0.920 1.00 0.00 H new ATOM 0 HE1 MET B 131 -8.347 -6.377 -0.637 1.00 0.00 H new ATOM 0 HE2 MET B 131 -7.015 -5.430 -1.340 1.00 0.00 H new ATOM 0 HE3 MET B 131 -6.706 -6.512 0.038 1.00 0.00 H new ATOM 1195 N ALA B 132 -4.880 -1.170 4.295 1.00 0.00 N ATOM 1196 CA ALA B 132 -4.938 -0.144 5.335 1.00 0.00 C ATOM 1197 C ALA B 132 -3.640 0.691 5.417 1.00 0.00 C ATOM 1198 O ALA B 132 -3.714 1.913 5.578 1.00 0.00 O ATOM 1199 CB ALA B 132 -5.253 -0.824 6.676 1.00 0.00 C ATOM 0 H ALA B 132 -4.981 -2.120 4.653 1.00 0.00 H new ATOM 0 HA ALA B 132 -5.728 0.564 5.084 1.00 0.00 H new ATOM 0 HB1 ALA B 132 -5.300 -0.072 7.463 1.00 0.00 H new ATOM 0 HB2 ALA B 132 -6.212 -1.337 6.607 1.00 0.00 H new ATOM 0 HB3 ALA B 132 -4.471 -1.546 6.910 1.00 0.00 H new ATOM 1205 N LEU B 133 -2.473 0.064 5.226 1.00 0.00 N ATOM 1206 CA LEU B 133 -1.169 0.734 5.103 1.00 0.00 C ATOM 1207 C LEU B 133 -1.153 1.737 3.936 1.00 0.00 C ATOM 1208 O LEU B 133 -0.852 2.918 4.129 1.00 0.00 O ATOM 1209 CB LEU B 133 -0.080 -0.359 4.989 1.00 0.00 C ATOM 1210 CG LEU B 133 1.398 0.053 4.843 1.00 0.00 C ATOM 1211 CD1 LEU B 133 1.772 0.584 3.455 1.00 0.00 C ATOM 1212 CD2 LEU B 133 1.819 1.076 5.893 1.00 0.00 C ATOM 0 H LEU B 133 -2.406 -0.951 5.150 1.00 0.00 H new ATOM 0 HA LEU B 133 -0.966 1.337 5.988 1.00 0.00 H new ATOM 0 HB2 LEU B 133 -0.157 -0.990 5.874 1.00 0.00 H new ATOM 0 HB3 LEU B 133 -0.331 -0.982 4.131 1.00 0.00 H new ATOM 0 HG LEU B 133 1.943 -0.879 4.995 1.00 0.00 H new ATOM 0 HD11 LEU B 133 2.829 0.850 3.440 1.00 0.00 H new ATOM 0 HD12 LEU B 133 1.581 -0.186 2.707 1.00 0.00 H new ATOM 0 HD13 LEU B 133 1.172 1.466 3.229 1.00 0.00 H new ATOM 0 HD21 LEU B 133 2.868 1.335 5.749 1.00 0.00 H new ATOM 0 HD22 LEU B 133 1.207 1.973 5.793 1.00 0.00 H new ATOM 0 HD23 LEU B 133 1.683 0.653 6.888 1.00 0.00 H new ATOM 1224 N ALA B 134 -1.521 1.287 2.731 1.00 0.00 N ATOM 1225 CA ALA B 134 -1.550 2.139 1.540 1.00 0.00 C ATOM 1226 C ALA B 134 -2.628 3.242 1.625 1.00 0.00 C ATOM 1227 O ALA B 134 -2.364 4.379 1.245 1.00 0.00 O ATOM 1228 CB ALA B 134 -1.730 1.232 0.316 1.00 0.00 C ATOM 0 H ALA B 134 -1.806 0.324 2.556 1.00 0.00 H new ATOM 0 HA ALA B 134 -0.609 2.682 1.457 1.00 0.00 H new ATOM 0 HB1 ALA B 134 -1.755 1.841 -0.588 1.00 0.00 H new ATOM 0 HB2 ALA B 134 -0.898 0.530 0.258 1.00 0.00 H new ATOM 0 HB3 ALA B 134 -2.665 0.679 0.407 1.00 0.00 H new ATOM 1234 N LEU B 135 -3.802 2.947 2.191 1.00 0.00 N ATOM 1235 CA LEU B 135 -4.892 3.908 2.426 1.00 0.00 C ATOM 1236 C LEU B 135 -4.447 5.020 3.387 1.00 0.00 C ATOM 1237 O LEU B 135 -4.643 6.200 3.088 1.00 0.00 O ATOM 1238 CB LEU B 135 -6.124 3.128 2.941 1.00 0.00 C ATOM 1239 CG LEU B 135 -7.501 3.827 2.961 1.00 0.00 C ATOM 1240 CD1 LEU B 135 -7.601 5.045 3.879 1.00 0.00 C ATOM 1241 CD2 LEU B 135 -7.926 4.233 1.555 1.00 0.00 C ATOM 0 H LEU B 135 -4.030 2.005 2.509 1.00 0.00 H new ATOM 0 HA LEU B 135 -5.163 4.411 1.498 1.00 0.00 H new ATOM 0 HB2 LEU B 135 -6.221 2.228 2.333 1.00 0.00 H new ATOM 0 HB3 LEU B 135 -5.906 2.803 3.958 1.00 0.00 H new ATOM 0 HG LEU B 135 -8.174 3.076 3.373 1.00 0.00 H new ATOM 0 HD11 LEU B 135 -8.606 5.463 3.821 1.00 0.00 H new ATOM 0 HD12 LEU B 135 -7.391 4.745 4.906 1.00 0.00 H new ATOM 0 HD13 LEU B 135 -6.877 5.797 3.566 1.00 0.00 H new ATOM 0 HD21 LEU B 135 -8.899 4.723 1.596 1.00 0.00 H new ATOM 0 HD22 LEU B 135 -7.191 4.920 1.137 1.00 0.00 H new ATOM 0 HD23 LEU B 135 -7.993 3.346 0.925 1.00 0.00 H new ATOM 1253 N LYS B 136 -3.782 4.673 4.499 1.00 0.00 N ATOM 1254 CA LYS B 136 -3.228 5.630 5.476 1.00 0.00 C ATOM 1255 C LYS B 136 -2.210 6.578 4.830 1.00 0.00 C ATOM 1256 O LYS B 136 -2.315 7.791 4.989 1.00 0.00 O ATOM 1257 CB LYS B 136 -2.636 4.852 6.663 1.00 0.00 C ATOM 1258 CG LYS B 136 -2.108 5.788 7.759 1.00 0.00 C ATOM 1259 CD LYS B 136 -1.732 5.046 9.054 1.00 0.00 C ATOM 1260 CE LYS B 136 -0.612 4.015 8.848 1.00 0.00 C ATOM 1261 NZ LYS B 136 -0.239 3.358 10.131 1.00 0.00 N1+ ATOM 0 H LYS B 136 -3.609 3.700 4.752 1.00 0.00 H new ATOM 0 HA LYS B 136 -4.030 6.269 5.847 1.00 0.00 H new ATOM 0 HB2 LYS B 136 -3.399 4.196 7.083 1.00 0.00 H new ATOM 0 HB3 LYS B 136 -1.826 4.214 6.310 1.00 0.00 H new ATOM 0 HG2 LYS B 136 -1.233 6.320 7.385 1.00 0.00 H new ATOM 0 HG3 LYS B 136 -2.866 6.539 7.984 1.00 0.00 H new ATOM 0 HD2 LYS B 136 -1.418 5.771 9.804 1.00 0.00 H new ATOM 0 HD3 LYS B 136 -2.615 4.542 9.448 1.00 0.00 H new ATOM 0 HE2 LYS B 136 -0.937 3.260 8.131 1.00 0.00 H new ATOM 0 HE3 LYS B 136 0.262 4.505 8.420 1.00 0.00 H new ATOM 0 HZ1 LYS B 136 0.519 2.667 9.960 1.00 0.00 H new ATOM 0 HZ2 LYS B 136 0.093 4.077 10.805 1.00 0.00 H new ATOM 0 HZ3 LYS B 136 -1.069 2.870 10.525 1.00 0.00 H new ATOM 1275 N LEU B 137 -1.281 6.048 4.027 1.00 0.00 N ATOM 1276 CA LEU B 137 -0.337 6.844 3.234 1.00 0.00 C ATOM 1277 C LEU B 137 -1.047 7.724 2.184 1.00 0.00 C ATOM 1278 O LEU B 137 -0.626 8.861 1.968 1.00 0.00 O ATOM 1279 CB LEU B 137 0.676 5.899 2.551 1.00 0.00 C ATOM 1280 CG LEU B 137 2.005 5.677 3.296 1.00 0.00 C ATOM 1281 CD1 LEU B 137 1.873 5.261 4.758 1.00 0.00 C ATOM 1282 CD2 LEU B 137 2.788 4.592 2.566 1.00 0.00 C ATOM 0 H LEU B 137 -1.162 5.042 3.908 1.00 0.00 H new ATOM 0 HA LEU B 137 0.183 7.522 3.910 1.00 0.00 H new ATOM 0 HB2 LEU B 137 0.198 4.930 2.407 1.00 0.00 H new ATOM 0 HB3 LEU B 137 0.900 6.295 1.560 1.00 0.00 H new ATOM 0 HG LEU B 137 2.507 6.645 3.301 1.00 0.00 H new ATOM 0 HD11 LEU B 137 2.865 5.131 5.190 1.00 0.00 H new ATOM 0 HD12 LEU B 137 1.336 6.033 5.309 1.00 0.00 H new ATOM 0 HD13 LEU B 137 1.324 4.322 4.821 1.00 0.00 H new ATOM 0 HD21 LEU B 137 3.734 4.419 3.078 1.00 0.00 H new ATOM 0 HD22 LEU B 137 2.208 3.669 2.555 1.00 0.00 H new ATOM 0 HD23 LEU B 137 2.983 4.910 1.542 1.00 0.00 H new ATOM 1294 N LYS B 138 -2.125 7.228 1.551 1.00 0.00 N ATOM 1295 CA LYS B 138 -2.884 7.951 0.517 1.00 0.00 C ATOM 1296 C LYS B 138 -3.661 9.142 1.077 1.00 0.00 C ATOM 1297 O LYS B 138 -3.532 10.246 0.551 1.00 0.00 O ATOM 1298 CB LYS B 138 -3.808 6.981 -0.251 1.00 0.00 C ATOM 1299 CG LYS B 138 -4.439 7.602 -1.515 1.00 0.00 C ATOM 1300 CD LYS B 138 -3.383 8.043 -2.542 1.00 0.00 C ATOM 1301 CE LYS B 138 -4.012 8.495 -3.861 1.00 0.00 C ATOM 1302 NZ LYS B 138 -2.961 8.959 -4.806 1.00 0.00 N1+ ATOM 0 H LYS B 138 -2.498 6.299 1.747 1.00 0.00 H new ATOM 0 HA LYS B 138 -2.160 8.367 -0.183 1.00 0.00 H new ATOM 0 HB2 LYS B 138 -3.237 6.097 -0.536 1.00 0.00 H new ATOM 0 HB3 LYS B 138 -4.603 6.645 0.415 1.00 0.00 H new ATOM 0 HG2 LYS B 138 -5.110 6.877 -1.976 1.00 0.00 H new ATOM 0 HG3 LYS B 138 -5.046 8.462 -1.230 1.00 0.00 H new ATOM 0 HD2 LYS B 138 -2.792 8.859 -2.125 1.00 0.00 H new ATOM 0 HD3 LYS B 138 -2.697 7.217 -2.733 1.00 0.00 H new ATOM 0 HE2 LYS B 138 -4.571 7.672 -4.305 1.00 0.00 H new ATOM 0 HE3 LYS B 138 -4.723 9.300 -3.675 1.00 0.00 H new ATOM 0 HZ1 LYS B 138 -3.404 9.262 -5.697 1.00 0.00 H new ATOM 0 HZ2 LYS B 138 -2.445 9.758 -4.386 1.00 0.00 H new ATOM 0 HZ3 LYS B 138 -2.298 8.181 -4.997 1.00 0.00 H new ATOM 1316 N GLN B 139 -4.413 8.973 2.169 1.00 0.00 N ATOM 1317 CA GLN B 139 -5.153 10.081 2.790 1.00 0.00 C ATOM 1318 C GLN B 139 -4.207 11.182 3.312 1.00 0.00 C ATOM 1319 O GLN B 139 -4.534 12.363 3.199 1.00 0.00 O ATOM 1320 CB GLN B 139 -6.123 9.570 3.872 1.00 0.00 C ATOM 1321 CG GLN B 139 -5.462 8.964 5.124 1.00 0.00 C ATOM 1322 CD GLN B 139 -6.486 8.663 6.210 1.00 0.00 C ATOM 1323 OE1 GLN B 139 -7.283 7.623 6.061 1.00 0.00 O flip ATOM 1324 NE2 GLN B 139 -6.600 9.358 7.209 1.00 0.00 N flip ATOM 0 H GLN B 139 -4.527 8.077 2.644 1.00 0.00 H new ATOM 0 HA GLN B 139 -5.763 10.547 2.016 1.00 0.00 H new ATOM 0 HB2 GLN B 139 -6.760 10.398 4.184 1.00 0.00 H new ATOM 0 HB3 GLN B 139 -6.773 8.818 3.426 1.00 0.00 H new ATOM 0 HG2 GLN B 139 -4.939 8.047 4.852 1.00 0.00 H new ATOM 0 HG3 GLN B 139 -4.713 9.655 5.511 1.00 0.00 H new ATOM 0 HE21 GLN B 139 -5.992 10.166 7.340 1.00 0.00 H new ATOM 0 HE22 GLN B 139 -7.303 9.130 7.912 1.00 0.00 H new ATOM 1333 N GLN B 140 -3.007 10.827 3.783 1.00 0.00 N ATOM 1334 CA GLN B 140 -1.975 11.783 4.204 1.00 0.00 C ATOM 1335 C GLN B 140 -1.496 12.679 3.049 1.00 0.00 C ATOM 1336 O GLN B 140 -1.517 13.901 3.188 1.00 0.00 O ATOM 1337 CB GLN B 140 -0.807 11.020 4.839 1.00 0.00 C ATOM 1338 CG GLN B 140 -1.144 10.526 6.257 1.00 0.00 C ATOM 1339 CD GLN B 140 -0.213 9.435 6.794 1.00 0.00 C ATOM 1340 OE1 GLN B 140 0.693 8.936 6.140 1.00 0.00 O ATOM 1341 NE2 GLN B 140 -0.389 9.025 8.034 1.00 0.00 N ATOM 0 H GLN B 140 -2.720 9.853 3.884 1.00 0.00 H new ATOM 0 HA GLN B 140 -2.414 12.454 4.942 1.00 0.00 H new ATOM 0 HB2 GLN B 140 -0.546 10.168 4.211 1.00 0.00 H new ATOM 0 HB3 GLN B 140 0.069 11.667 4.879 1.00 0.00 H new ATOM 0 HG2 GLN B 140 -1.116 11.376 6.939 1.00 0.00 H new ATOM 0 HG3 GLN B 140 -2.166 10.147 6.261 1.00 0.00 H new ATOM 0 HE21 GLN B 140 -1.137 9.424 8.602 1.00 0.00 H new ATOM 0 HE22 GLN B 140 0.222 8.309 8.426 1.00 0.00 H new