USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 411 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 12 THR OG1 : rot 26:sc= 0.0905 USER MOD Single : A 14 TYR OH : rot 139:sc= 0.65 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= -0.0168 USER MOD Single : A 18 GLN : amide:sc= -1.92! C(o=-1.9!,f=-3.5!) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot -111:sc= 0.172 USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.0655 USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= -1.41 K(o=-1.4,f=-0.53) USER MOD Single : A 58 LYS NZ :NH3+ -132:sc= 1.02 (180deg=-0.219) USER MOD ----------------------------------------------------------------- ATOM 150 N THR A 12 -0.786 11.938 -5.748 1.00 0.00 N ATOM 151 CA THR A 12 0.039 10.863 -5.210 1.00 0.00 C ATOM 152 C THR A 12 -0.271 9.537 -5.895 1.00 0.00 C ATOM 153 O THR A 12 -1.372 9.336 -6.409 1.00 0.00 O ATOM 154 CB THR A 12 -0.164 10.704 -3.692 1.00 0.00 C ATOM 155 OG1 THR A 12 0.089 11.949 -3.031 1.00 0.00 O ATOM 156 CG2 THR A 12 0.756 9.630 -3.132 1.00 0.00 C ATOM 0 HA THR A 12 1.077 11.135 -5.403 1.00 0.00 H new ATOM 0 HB THR A 12 -1.197 10.403 -3.515 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.069 12.688 -3.654 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.594 9.536 -2.058 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.540 8.678 -3.616 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.794 9.906 -3.320 1.00 0.00 H new ATOM 164 N ILE A 13 0.704 8.635 -5.897 1.00 0.00 N ATOM 165 CA ILE A 13 0.533 7.327 -6.517 1.00 0.00 C ATOM 166 C ILE A 13 -0.795 6.696 -6.112 1.00 0.00 C ATOM 167 O ILE A 13 -1.300 5.800 -6.789 1.00 0.00 O ATOM 168 CB ILE A 13 1.680 6.370 -6.139 1.00 0.00 C ATOM 169 CG1 ILE A 13 3.029 6.979 -6.527 1.00 0.00 C ATOM 170 CG2 ILE A 13 1.488 5.020 -6.814 1.00 0.00 C ATOM 171 CD1 ILE A 13 3.192 7.189 -8.015 1.00 0.00 C ATOM 0 H ILE A 13 1.621 8.786 -5.476 1.00 0.00 H new ATOM 0 HA ILE A 13 0.543 7.485 -7.595 1.00 0.00 H new ATOM 0 HB ILE A 13 1.667 6.219 -5.060 1.00 0.00 H new ATOM 0 HG12 ILE A 13 3.146 7.936 -6.018 1.00 0.00 H new ATOM 0 HG13 ILE A 13 3.828 6.329 -6.171 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.306 4.355 -6.537 1.00 0.00 H new ATOM 0 HG22 ILE A 13 0.542 4.584 -6.493 1.00 0.00 H new ATOM 0 HG23 ILE A 13 1.478 5.152 -7.896 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.171 7.623 -8.216 1.00 0.00 H new ATOM 0 HD12 ILE A 13 3.107 6.232 -8.529 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.415 7.864 -8.374 1.00 0.00 H new ATOM 183 N TYR A 14 -1.355 7.170 -5.005 1.00 0.00 N ATOM 184 CA TYR A 14 -2.625 6.652 -4.509 1.00 0.00 C ATOM 185 C TYR A 14 -3.504 7.781 -3.979 1.00 0.00 C ATOM 186 O TYR A 14 -3.016 8.721 -3.351 1.00 0.00 O ATOM 187 CB TYR A 14 -2.383 5.619 -3.407 1.00 0.00 C ATOM 188 CG TYR A 14 -1.908 4.281 -3.926 1.00 0.00 C ATOM 189 CD1 TYR A 14 -0.593 4.100 -4.337 1.00 0.00 C ATOM 190 CD2 TYR A 14 -2.774 3.197 -4.004 1.00 0.00 C ATOM 191 CE1 TYR A 14 -0.155 2.879 -4.812 1.00 0.00 C ATOM 192 CE2 TYR A 14 -2.344 1.972 -4.476 1.00 0.00 C ATOM 193 CZ TYR A 14 -1.034 1.818 -4.880 1.00 0.00 C ATOM 194 OH TYR A 14 -0.601 0.600 -5.351 1.00 0.00 O ATOM 0 H TYR A 14 -0.950 7.912 -4.434 1.00 0.00 H new ATOM 0 HA TYR A 14 -3.142 6.173 -5.340 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.644 6.012 -2.708 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.307 5.475 -2.846 1.00 0.00 H new ATOM 0 HD1 TYR A 14 0.098 4.928 -4.284 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -3.801 3.314 -3.690 1.00 0.00 H new ATOM 0 HE1 TYR A 14 0.870 2.756 -5.128 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -3.030 1.139 -4.528 1.00 0.00 H new ATOM 0 HH TYR A 14 -0.987 -0.117 -4.806 1.00 0.00 H new ATOM 204 N SER A 15 -4.804 7.680 -4.237 1.00 0.00 N ATOM 205 CA SER A 15 -5.753 8.694 -3.790 1.00 0.00 C ATOM 206 C SER A 15 -5.823 8.737 -2.266 1.00 0.00 C ATOM 207 O SER A 15 -5.704 7.709 -1.599 1.00 0.00 O ATOM 208 CB SER A 15 -7.141 8.413 -4.368 1.00 0.00 C ATOM 209 OG SER A 15 -7.262 8.935 -5.679 1.00 0.00 O ATOM 0 H SER A 15 -5.224 6.907 -4.753 1.00 0.00 H new ATOM 0 HA SER A 15 -5.408 9.664 -4.148 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.321 7.338 -4.383 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.902 8.855 -3.725 1.00 0.00 H new ATOM 0 HG SER A 15 -8.157 8.741 -6.027 1.00 0.00 H new ATOM 215 N SER A 16 -6.017 9.934 -1.723 1.00 0.00 N ATOM 216 CA SER A 16 -6.099 10.114 -0.278 1.00 0.00 C ATOM 217 C SER A 16 -7.074 9.116 0.339 1.00 0.00 C ATOM 218 O SER A 16 -6.747 8.429 1.307 1.00 0.00 O ATOM 219 CB SER A 16 -6.535 11.542 0.056 1.00 0.00 C ATOM 220 OG SER A 16 -7.737 11.878 -0.615 1.00 0.00 O ATOM 0 H SER A 16 -6.120 10.794 -2.262 1.00 0.00 H new ATOM 0 HA SER A 16 -5.109 9.936 0.142 1.00 0.00 H new ATOM 0 HB2 SER A 16 -6.676 11.640 1.132 1.00 0.00 H new ATOM 0 HB3 SER A 16 -5.749 12.241 -0.228 1.00 0.00 H new ATOM 0 HG SER A 16 -7.995 12.795 -0.384 1.00 0.00 H new ATOM 226 N PHE A 17 -8.273 9.041 -0.229 1.00 0.00 N ATOM 227 CA PHE A 17 -9.297 8.128 0.264 1.00 0.00 C ATOM 228 C PHE A 17 -8.783 6.691 0.281 1.00 0.00 C ATOM 229 O PHE A 17 -8.917 5.985 1.280 1.00 0.00 O ATOM 230 CB PHE A 17 -10.554 8.221 -0.603 1.00 0.00 C ATOM 231 CG PHE A 17 -11.561 7.144 -0.317 1.00 0.00 C ATOM 232 CD1 PHE A 17 -11.456 5.901 -0.921 1.00 0.00 C ATOM 233 CD2 PHE A 17 -12.613 7.374 0.555 1.00 0.00 C ATOM 234 CE1 PHE A 17 -12.381 4.907 -0.659 1.00 0.00 C ATOM 235 CE2 PHE A 17 -13.540 6.384 0.821 1.00 0.00 C ATOM 236 CZ PHE A 17 -13.425 5.150 0.212 1.00 0.00 C ATOM 0 H PHE A 17 -8.559 9.602 -1.031 1.00 0.00 H new ATOM 0 HA PHE A 17 -9.545 8.419 1.285 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -11.021 9.194 -0.449 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -10.266 8.168 -1.653 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -10.642 5.706 -1.604 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -12.710 8.338 1.032 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -12.287 3.942 -1.135 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -14.354 6.575 1.505 1.00 0.00 H new ATOM 0 HZ PHE A 17 -14.150 4.376 0.416 1.00 0.00 H new ATOM 246 N GLN A 18 -8.194 6.267 -0.832 1.00 0.00 N ATOM 247 CA GLN A 18 -7.661 4.914 -0.946 1.00 0.00 C ATOM 248 C GLN A 18 -6.564 4.673 0.086 1.00 0.00 C ATOM 249 O GLN A 18 -6.519 3.621 0.725 1.00 0.00 O ATOM 250 CB GLN A 18 -7.114 4.676 -2.355 1.00 0.00 C ATOM 251 CG GLN A 18 -8.198 4.496 -3.406 1.00 0.00 C ATOM 252 CD GLN A 18 -7.639 4.425 -4.813 1.00 0.00 C ATOM 253 OE1 GLN A 18 -6.474 4.747 -5.048 1.00 0.00 O ATOM 254 NE2 GLN A 18 -8.470 4.001 -5.759 1.00 0.00 N ATOM 0 H GLN A 18 -8.074 6.840 -1.667 1.00 0.00 H new ATOM 0 HA GLN A 18 -8.474 4.213 -0.756 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -6.482 5.518 -2.637 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -6.479 3.790 -2.344 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -8.756 3.584 -3.194 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -8.904 5.324 -3.341 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -9.428 3.744 -5.519 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -8.150 3.932 -6.725 1.00 0.00 H new ATOM 263 N LEU A 19 -5.681 5.653 0.243 1.00 0.00 N ATOM 264 CA LEU A 19 -4.583 5.548 1.197 1.00 0.00 C ATOM 265 C LEU A 19 -5.110 5.428 2.623 1.00 0.00 C ATOM 266 O LEU A 19 -4.786 4.481 3.338 1.00 0.00 O ATOM 267 CB LEU A 19 -3.662 6.764 1.082 1.00 0.00 C ATOM 268 CG LEU A 19 -2.508 6.641 0.087 1.00 0.00 C ATOM 269 CD1 LEU A 19 -1.592 7.851 0.179 1.00 0.00 C ATOM 270 CD2 LEU A 19 -1.727 5.358 0.332 1.00 0.00 C ATOM 0 H LEU A 19 -5.704 6.529 -0.278 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.016 4.647 0.962 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.266 7.627 0.802 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.245 6.973 2.067 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.924 6.603 -0.920 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.777 7.745 -0.537 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.159 8.754 -0.047 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.183 7.922 1.187 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.909 5.287 -0.385 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.322 5.366 1.344 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.389 4.501 0.213 1.00 0.00 H new ATOM 282 N ALA A 20 -5.927 6.395 3.030 1.00 0.00 N ATOM 283 CA ALA A 20 -6.503 6.396 4.368 1.00 0.00 C ATOM 284 C ALA A 20 -6.801 4.976 4.839 1.00 0.00 C ATOM 285 O ALA A 20 -6.384 4.571 5.923 1.00 0.00 O ATOM 286 CB ALA A 20 -7.769 7.240 4.398 1.00 0.00 C ATOM 0 H ALA A 20 -6.204 7.188 2.451 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.773 6.832 5.050 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.188 7.231 5.404 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.530 8.265 4.113 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.497 6.829 3.698 1.00 0.00 H new ATOM 292 N ALA A 21 -7.527 4.226 4.016 1.00 0.00 N ATOM 293 CA ALA A 21 -7.880 2.851 4.348 1.00 0.00 C ATOM 294 C ALA A 21 -6.668 1.932 4.242 1.00 0.00 C ATOM 295 O ALA A 21 -6.370 1.170 5.163 1.00 0.00 O ATOM 296 CB ALA A 21 -8.998 2.359 3.441 1.00 0.00 C ATOM 0 H ALA A 21 -7.882 4.547 3.115 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.229 2.831 5.380 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.251 1.331 3.700 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.876 2.992 3.569 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.669 2.401 2.403 1.00 0.00 H new ATOM 302 N LEU A 22 -5.971 2.008 3.113 1.00 0.00 N ATOM 303 CA LEU A 22 -4.790 1.182 2.886 1.00 0.00 C ATOM 304 C LEU A 22 -3.878 1.187 4.109 1.00 0.00 C ATOM 305 O LEU A 22 -3.602 0.140 4.693 1.00 0.00 O ATOM 306 CB LEU A 22 -4.022 1.681 1.661 1.00 0.00 C ATOM 307 CG LEU A 22 -4.550 1.217 0.303 1.00 0.00 C ATOM 308 CD1 LEU A 22 -3.900 2.009 -0.821 1.00 0.00 C ATOM 309 CD2 LEU A 22 -4.308 -0.274 0.118 1.00 0.00 C ATOM 0 H LEU A 22 -6.203 2.633 2.341 1.00 0.00 H new ATOM 0 HA LEU A 22 -5.122 0.159 2.707 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.023 2.771 1.676 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.984 1.362 1.753 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.625 1.396 0.271 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.288 1.665 -1.780 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.125 3.068 -0.697 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.820 1.862 -0.793 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.690 -0.587 -0.854 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.239 -0.478 0.170 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.822 -0.826 0.905 1.00 0.00 H new ATOM 321 N GLN A 23 -3.417 2.374 4.491 1.00 0.00 N ATOM 322 CA GLN A 23 -2.538 2.515 5.646 1.00 0.00 C ATOM 323 C GLN A 23 -3.203 1.972 6.906 1.00 0.00 C ATOM 324 O GLN A 23 -2.590 1.230 7.674 1.00 0.00 O ATOM 325 CB GLN A 23 -2.158 3.983 5.848 1.00 0.00 C ATOM 326 CG GLN A 23 -0.993 4.434 4.981 1.00 0.00 C ATOM 327 CD GLN A 23 -0.250 5.616 5.571 1.00 0.00 C ATOM 328 OE1 GLN A 23 0.879 5.482 6.044 1.00 0.00 O ATOM 329 NE2 GLN A 23 -0.882 6.784 5.547 1.00 0.00 N ATOM 0 H GLN A 23 -3.637 3.251 4.018 1.00 0.00 H new ATOM 0 HA GLN A 23 -1.634 1.936 5.456 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -3.025 4.607 5.631 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -1.904 4.143 6.896 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -0.300 3.603 4.849 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -1.363 4.700 3.991 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -1.817 6.850 5.145 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -0.432 7.615 5.930 1.00 0.00 H new ATOM 338 N ARG A 24 -4.461 2.347 7.114 1.00 0.00 N ATOM 339 CA ARG A 24 -5.209 1.899 8.282 1.00 0.00 C ATOM 340 C ARG A 24 -5.164 0.379 8.407 1.00 0.00 C ATOM 341 O ARG A 24 -5.128 -0.163 9.512 1.00 0.00 O ATOM 342 CB ARG A 24 -6.662 2.371 8.196 1.00 0.00 C ATOM 343 CG ARG A 24 -7.347 2.483 9.549 1.00 0.00 C ATOM 344 CD ARG A 24 -8.757 3.035 9.414 1.00 0.00 C ATOM 345 NE ARG A 24 -9.667 2.071 8.802 1.00 0.00 N ATOM 346 CZ ARG A 24 -10.971 2.280 8.658 1.00 0.00 C ATOM 347 NH1 ARG A 24 -11.515 3.413 9.080 1.00 0.00 N ATOM 348 NH2 ARG A 24 -11.734 1.354 8.090 1.00 0.00 N ATOM 0 H ARG A 24 -4.984 2.960 6.488 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.745 2.333 9.167 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.691 3.342 7.702 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.224 1.678 7.570 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.383 1.502 10.023 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -6.762 3.131 10.202 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.133 3.313 10.399 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -8.734 3.944 8.813 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.280 1.189 8.467 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.932 4.127 9.517 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.517 3.571 8.968 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.319 0.481 7.764 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -12.735 1.515 7.980 1.00 0.00 H new ATOM 362 N ARG A 25 -5.168 -0.304 7.266 1.00 0.00 N ATOM 363 CA ARG A 25 -5.129 -1.761 7.247 1.00 0.00 C ATOM 364 C ARG A 25 -3.737 -2.272 7.606 1.00 0.00 C ATOM 365 O ARG A 25 -3.588 -3.165 8.442 1.00 0.00 O ATOM 366 CB ARG A 25 -5.537 -2.286 5.870 1.00 0.00 C ATOM 367 CG ARG A 25 -5.581 -3.802 5.784 1.00 0.00 C ATOM 368 CD ARG A 25 -6.753 -4.371 6.568 1.00 0.00 C ATOM 369 NE ARG A 25 -7.967 -4.447 5.759 1.00 0.00 N ATOM 370 CZ ARG A 25 -9.134 -4.879 6.224 1.00 0.00 C ATOM 371 NH1 ARG A 25 -9.245 -5.270 7.486 1.00 0.00 N ATOM 372 NH2 ARG A 25 -10.193 -4.919 5.426 1.00 0.00 N ATOM 0 H ARG A 25 -5.198 0.129 6.343 1.00 0.00 H new ATOM 0 HA ARG A 25 -5.835 -2.128 7.992 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.519 -1.888 5.615 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.837 -1.909 5.125 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.658 -4.106 4.740 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.649 -4.216 6.169 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.497 -5.366 6.932 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.939 -3.749 7.444 1.00 0.00 H new ATOM 0 HE ARG A 25 -7.916 -4.152 4.784 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -8.433 -5.240 8.103 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -10.142 -5.601 7.840 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -10.111 -4.618 4.455 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -11.089 -5.251 5.784 1.00 0.00 H new ATOM 386 N PHE A 26 -2.720 -1.701 6.970 1.00 0.00 N ATOM 387 CA PHE A 26 -1.340 -2.100 7.221 1.00 0.00 C ATOM 388 C PHE A 26 -1.025 -2.060 8.713 1.00 0.00 C ATOM 389 O PHE A 26 -0.395 -2.972 9.249 1.00 0.00 O ATOM 390 CB PHE A 26 -0.376 -1.186 6.460 1.00 0.00 C ATOM 391 CG PHE A 26 1.038 -1.692 6.437 1.00 0.00 C ATOM 392 CD1 PHE A 26 1.434 -2.638 5.506 1.00 0.00 C ATOM 393 CD2 PHE A 26 1.971 -1.223 7.348 1.00 0.00 C ATOM 394 CE1 PHE A 26 2.734 -3.106 5.482 1.00 0.00 C ATOM 395 CE2 PHE A 26 3.272 -1.686 7.328 1.00 0.00 C ATOM 396 CZ PHE A 26 3.655 -2.630 6.395 1.00 0.00 C ATOM 0 H PHE A 26 -2.825 -0.960 6.277 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.214 -3.124 6.868 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.729 -1.072 5.435 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.392 -0.196 6.915 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.718 -3.014 4.790 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.677 -0.487 8.082 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.030 -3.843 4.750 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.990 -1.310 8.042 1.00 0.00 H new ATOM 0 HZ PHE A 26 4.671 -2.995 6.379 1.00 0.00 H new ATOM 406 N GLN A 27 -1.467 -0.997 9.377 1.00 0.00 N ATOM 407 CA GLN A 27 -1.232 -0.838 10.807 1.00 0.00 C ATOM 408 C GLN A 27 -1.617 -2.103 11.567 1.00 0.00 C ATOM 409 O GLN A 27 -0.891 -2.554 12.453 1.00 0.00 O ATOM 410 CB GLN A 27 -2.022 0.355 11.346 1.00 0.00 C ATOM 411 CG GLN A 27 -1.587 1.688 10.759 1.00 0.00 C ATOM 412 CD GLN A 27 -2.024 2.869 11.605 1.00 0.00 C ATOM 413 OE1 GLN A 27 -1.209 3.711 11.984 1.00 0.00 O ATOM 414 NE2 GLN A 27 -3.315 2.936 11.905 1.00 0.00 N ATOM 0 H GLN A 27 -1.990 -0.233 8.948 1.00 0.00 H new ATOM 0 HA GLN A 27 -0.167 -0.657 10.956 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -3.081 0.203 11.137 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -1.914 0.392 12.430 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -0.502 1.700 10.659 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -2.001 1.791 9.756 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -3.955 2.216 11.569 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -3.668 3.708 12.471 1.00 0.00 H new ATOM 423 N LYS A 28 -2.765 -2.672 11.214 1.00 0.00 N ATOM 424 CA LYS A 28 -3.249 -3.886 11.861 1.00 0.00 C ATOM 425 C LYS A 28 -2.291 -5.049 11.621 1.00 0.00 C ATOM 426 O LYS A 28 -1.919 -5.764 12.552 1.00 0.00 O ATOM 427 CB LYS A 28 -4.643 -4.244 11.343 1.00 0.00 C ATOM 428 CG LYS A 28 -5.254 -5.455 12.028 1.00 0.00 C ATOM 429 CD LYS A 28 -6.270 -6.147 11.135 1.00 0.00 C ATOM 430 CE LYS A 28 -6.823 -7.404 11.790 1.00 0.00 C ATOM 431 NZ LYS A 28 -5.952 -8.586 11.544 1.00 0.00 N ATOM 0 H LYS A 28 -3.378 -2.311 10.483 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.304 -3.699 12.933 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.303 -3.388 11.480 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.586 -4.434 10.271 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.466 -6.158 12.297 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.735 -5.145 12.956 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.088 -5.461 10.913 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.804 -6.406 10.184 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.920 -7.242 12.863 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.823 -7.604 11.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -6.363 -9.422 12.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -5.879 -8.757 10.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.004 -8.406 11.933 1.00 0.00 H new ATOM 445 N THR A 29 -1.893 -5.232 10.366 1.00 0.00 N ATOM 446 CA THR A 29 -0.979 -6.308 10.003 1.00 0.00 C ATOM 447 C THR A 29 -0.142 -5.931 8.786 1.00 0.00 C ATOM 448 O THR A 29 -0.620 -5.247 7.881 1.00 0.00 O ATOM 449 CB THR A 29 -1.738 -7.614 9.705 1.00 0.00 C ATOM 450 OG1 THR A 29 -0.809 -8.678 9.472 1.00 0.00 O ATOM 451 CG2 THR A 29 -2.643 -7.450 8.494 1.00 0.00 C ATOM 0 H THR A 29 -2.189 -4.649 9.584 1.00 0.00 H new ATOM 0 HA THR A 29 -0.322 -6.466 10.858 1.00 0.00 H new ATOM 0 HB THR A 29 -2.356 -7.855 10.570 1.00 0.00 H new ATOM 0 HG1 THR A 29 -0.843 -8.941 8.529 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.169 -8.386 8.303 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.368 -6.659 8.686 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.042 -7.187 7.623 1.00 0.00 H new ATOM 459 N GLN A 30 1.109 -6.381 8.771 1.00 0.00 N ATOM 460 CA GLN A 30 2.011 -6.091 7.664 1.00 0.00 C ATOM 461 C GLN A 30 1.647 -6.914 6.433 1.00 0.00 C ATOM 462 O GLN A 30 1.852 -6.479 5.300 1.00 0.00 O ATOM 463 CB GLN A 30 3.459 -6.373 8.071 1.00 0.00 C ATOM 464 CG GLN A 30 4.119 -5.220 8.809 1.00 0.00 C ATOM 465 CD GLN A 30 3.917 -5.296 10.310 1.00 0.00 C ATOM 466 OE1 GLN A 30 2.811 -5.088 10.810 1.00 0.00 O ATOM 467 NE2 GLN A 30 4.987 -5.597 11.037 1.00 0.00 N ATOM 0 H GLN A 30 1.520 -6.948 9.513 1.00 0.00 H new ATOM 0 HA GLN A 30 1.910 -5.035 7.414 1.00 0.00 H new ATOM 0 HB2 GLN A 30 3.484 -7.260 8.704 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.041 -6.602 7.178 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.187 -5.217 8.590 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.715 -4.278 8.439 1.00 0.00 H new ATOM 0 HE21 GLN A 30 5.884 -5.762 10.580 1.00 0.00 H new ATOM 0 HE22 GLN A 30 4.912 -5.664 12.052 1.00 0.00 H new ATOM 476 N TYR A 31 1.105 -8.105 6.664 1.00 0.00 N ATOM 477 CA TYR A 31 0.715 -8.991 5.574 1.00 0.00 C ATOM 478 C TYR A 31 -0.804 -9.110 5.486 1.00 0.00 C ATOM 479 O TYR A 31 -1.515 -8.872 6.463 1.00 0.00 O ATOM 480 CB TYR A 31 1.336 -10.376 5.766 1.00 0.00 C ATOM 481 CG TYR A 31 2.822 -10.417 5.491 1.00 0.00 C ATOM 482 CD1 TYR A 31 3.685 -9.509 6.092 1.00 0.00 C ATOM 483 CD2 TYR A 31 3.363 -11.364 4.631 1.00 0.00 C ATOM 484 CE1 TYR A 31 5.043 -9.542 5.842 1.00 0.00 C ATOM 485 CE2 TYR A 31 4.720 -11.406 4.377 1.00 0.00 C ATOM 486 CZ TYR A 31 5.556 -10.493 4.985 1.00 0.00 C ATOM 487 OH TYR A 31 6.909 -10.530 4.735 1.00 0.00 O ATOM 0 H TYR A 31 0.926 -8.479 7.596 1.00 0.00 H new ATOM 0 HA TYR A 31 1.083 -8.562 4.642 1.00 0.00 H new ATOM 0 HB2 TYR A 31 1.155 -10.707 6.789 1.00 0.00 H new ATOM 0 HB3 TYR A 31 0.834 -11.085 5.108 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.287 -8.765 6.766 1.00 0.00 H new ATOM 0 HD2 TYR A 31 2.711 -12.080 4.153 1.00 0.00 H new ATOM 0 HE1 TYR A 31 5.700 -8.827 6.315 1.00 0.00 H new ATOM 0 HE2 TYR A 31 5.124 -12.150 3.706 1.00 0.00 H new ATOM 0 HH TYR A 31 7.107 -11.259 4.111 1.00 0.00 H new ATOM 497 N LEU A 32 -1.294 -9.480 4.308 1.00 0.00 N ATOM 498 CA LEU A 32 -2.729 -9.632 4.090 1.00 0.00 C ATOM 499 C LEU A 32 -3.043 -10.981 3.452 1.00 0.00 C ATOM 500 O LEU A 32 -2.411 -11.378 2.474 1.00 0.00 O ATOM 501 CB LEU A 32 -3.253 -8.501 3.203 1.00 0.00 C ATOM 502 CG LEU A 32 -3.199 -7.096 3.805 1.00 0.00 C ATOM 503 CD1 LEU A 32 -3.781 -6.078 2.837 1.00 0.00 C ATOM 504 CD2 LEU A 32 -3.940 -7.056 5.134 1.00 0.00 C ATOM 0 H LEU A 32 -0.719 -9.680 3.489 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.226 -9.585 5.059 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.681 -8.499 2.275 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.287 -8.722 2.940 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.155 -6.839 3.986 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.734 -5.084 3.282 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.207 -6.088 1.910 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.819 -6.331 2.623 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.891 -6.049 5.548 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.982 -7.334 4.978 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.478 -7.757 5.829 1.00 0.00 H new ATOM 516 N ALA A 33 -4.024 -11.681 4.012 1.00 0.00 N ATOM 517 CA ALA A 33 -4.425 -12.983 3.495 1.00 0.00 C ATOM 518 C ALA A 33 -4.989 -12.864 2.083 1.00 0.00 C ATOM 519 O ALA A 33 -5.092 -11.765 1.536 1.00 0.00 O ATOM 520 CB ALA A 33 -5.447 -13.627 4.421 1.00 0.00 C ATOM 0 H ALA A 33 -4.556 -11.368 4.824 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.539 -13.617 3.452 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.738 -14.599 4.022 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.010 -13.757 5.411 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.326 -12.987 4.494 1.00 0.00 H new ATOM 526 N LEU A 34 -5.352 -14.000 1.498 1.00 0.00 N ATOM 527 CA LEU A 34 -5.905 -14.023 0.149 1.00 0.00 C ATOM 528 C LEU A 34 -7.157 -13.155 0.058 1.00 0.00 C ATOM 529 O LEU A 34 -7.220 -12.191 -0.706 1.00 0.00 O ATOM 530 CB LEU A 34 -6.236 -15.458 -0.264 1.00 0.00 C ATOM 531 CG LEU A 34 -7.445 -15.631 -1.184 1.00 0.00 C ATOM 532 CD1 LEU A 34 -7.127 -15.128 -2.584 1.00 0.00 C ATOM 533 CD2 LEU A 34 -7.880 -17.088 -1.226 1.00 0.00 C ATOM 0 H LEU A 34 -5.273 -14.917 1.937 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.155 -13.619 -0.531 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.363 -15.882 -0.761 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.405 -16.045 0.639 1.00 0.00 H new ATOM 0 HG LEU A 34 -8.268 -15.038 -0.785 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.999 -15.259 -3.225 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -6.865 -14.071 -2.540 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.289 -15.693 -2.992 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -8.742 -17.192 -1.886 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.061 -17.702 -1.600 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.150 -17.416 -0.222 1.00 0.00 H new ATOM 545 N PRO A 35 -8.176 -13.501 0.858 1.00 0.00 N ATOM 546 CA PRO A 35 -9.444 -12.765 0.889 1.00 0.00 C ATOM 547 C PRO A 35 -9.295 -11.382 1.513 1.00 0.00 C ATOM 548 O PRO A 35 -10.196 -10.548 1.418 1.00 0.00 O ATOM 549 CB PRO A 35 -10.346 -13.648 1.754 1.00 0.00 C ATOM 550 CG PRO A 35 -9.408 -14.416 2.619 1.00 0.00 C ATOM 551 CD PRO A 35 -8.171 -14.638 1.794 1.00 0.00 C ATOM 0 HA PRO A 35 -9.836 -12.585 -0.112 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -11.033 -13.048 2.351 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -10.954 -14.313 1.141 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -9.176 -13.864 3.529 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -9.848 -15.365 2.925 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -7.273 -14.646 2.411 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -8.205 -15.592 1.268 1.00 0.00 H new ATOM 559 N GLU A 36 -8.153 -11.145 2.151 1.00 0.00 N ATOM 560 CA GLU A 36 -7.889 -9.861 2.791 1.00 0.00 C ATOM 561 C GLU A 36 -7.394 -8.837 1.774 1.00 0.00 C ATOM 562 O GLU A 36 -7.865 -7.701 1.742 1.00 0.00 O ATOM 563 CB GLU A 36 -6.856 -10.027 3.908 1.00 0.00 C ATOM 564 CG GLU A 36 -7.401 -10.729 5.141 1.00 0.00 C ATOM 565 CD GLU A 36 -8.057 -9.771 6.116 1.00 0.00 C ATOM 566 OE1 GLU A 36 -8.976 -9.037 5.698 1.00 0.00 O ATOM 567 OE2 GLU A 36 -7.650 -9.754 7.297 1.00 0.00 O ATOM 0 H GLU A 36 -7.397 -11.824 2.239 1.00 0.00 H new ATOM 0 HA GLU A 36 -8.823 -9.499 3.220 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.006 -10.592 3.525 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.482 -9.044 4.195 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -8.126 -11.483 4.834 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.589 -11.254 5.644 1.00 0.00 H new ATOM 574 N ARG A 37 -6.441 -9.249 0.944 1.00 0.00 N ATOM 575 CA ARG A 37 -5.880 -8.369 -0.073 1.00 0.00 C ATOM 576 C ARG A 37 -6.950 -7.944 -1.075 1.00 0.00 C ATOM 577 O ARG A 37 -7.105 -6.759 -1.367 1.00 0.00 O ATOM 578 CB ARG A 37 -4.730 -9.065 -0.803 1.00 0.00 C ATOM 579 CG ARG A 37 -4.131 -8.235 -1.927 1.00 0.00 C ATOM 580 CD ARG A 37 -3.140 -9.044 -2.750 1.00 0.00 C ATOM 581 NE ARG A 37 -3.575 -10.427 -2.924 1.00 0.00 N ATOM 582 CZ ARG A 37 -3.330 -11.391 -2.043 1.00 0.00 C ATOM 583 NH1 ARG A 37 -2.659 -11.122 -0.931 1.00 0.00 N ATOM 584 NH2 ARG A 37 -3.758 -12.626 -2.272 1.00 0.00 N ATOM 0 H ARG A 37 -6.041 -10.187 0.956 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.498 -7.478 0.425 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.947 -9.306 -0.084 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.089 -10.010 -1.212 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -4.928 -7.867 -2.574 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.631 -7.361 -1.509 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -3.014 -8.578 -3.727 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -2.166 -9.029 -2.262 1.00 0.00 H new ATOM 0 HE ARG A 37 -4.095 -10.666 -3.768 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -2.330 -10.174 -0.751 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -2.472 -11.864 -0.256 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -4.276 -12.836 -3.125 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -3.569 -13.365 -1.595 1.00 0.00 H new ATOM 598 N ALA A 38 -7.685 -8.921 -1.597 1.00 0.00 N ATOM 599 CA ALA A 38 -8.741 -8.649 -2.564 1.00 0.00 C ATOM 600 C ALA A 38 -9.760 -7.664 -2.001 1.00 0.00 C ATOM 601 O ALA A 38 -10.358 -6.885 -2.743 1.00 0.00 O ATOM 602 CB ALA A 38 -9.427 -9.944 -2.975 1.00 0.00 C ATOM 0 H ALA A 38 -7.568 -9.908 -1.366 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.285 -8.197 -3.445 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -10.213 -9.726 -3.697 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.696 -10.616 -3.426 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -9.863 -10.419 -2.096 1.00 0.00 H new ATOM 608 N GLU A 39 -9.952 -7.704 -0.687 1.00 0.00 N ATOM 609 CA GLU A 39 -10.901 -6.815 -0.026 1.00 0.00 C ATOM 610 C GLU A 39 -10.601 -5.356 -0.359 1.00 0.00 C ATOM 611 O GLU A 39 -11.495 -4.598 -0.739 1.00 0.00 O ATOM 612 CB GLU A 39 -10.859 -7.023 1.489 1.00 0.00 C ATOM 613 CG GLU A 39 -12.187 -6.756 2.177 1.00 0.00 C ATOM 614 CD GLU A 39 -13.355 -7.410 1.466 1.00 0.00 C ATOM 615 OE1 GLU A 39 -13.179 -8.533 0.948 1.00 0.00 O ATOM 616 OE2 GLU A 39 -14.444 -6.800 1.427 1.00 0.00 O ATOM 0 H GLU A 39 -9.464 -8.342 -0.059 1.00 0.00 H new ATOM 0 HA GLU A 39 -11.900 -7.055 -0.390 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.551 -8.047 1.698 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -10.100 -6.368 1.916 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -12.140 -7.122 3.203 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -12.355 -5.680 2.229 1.00 0.00 H new ATOM 623 N LEU A 40 -9.339 -4.970 -0.212 1.00 0.00 N ATOM 624 CA LEU A 40 -8.920 -3.601 -0.497 1.00 0.00 C ATOM 625 C LEU A 40 -9.081 -3.279 -1.979 1.00 0.00 C ATOM 626 O LEU A 40 -9.444 -2.162 -2.346 1.00 0.00 O ATOM 627 CB LEU A 40 -7.465 -3.394 -0.073 1.00 0.00 C ATOM 628 CG LEU A 40 -7.094 -3.897 1.323 1.00 0.00 C ATOM 629 CD1 LEU A 40 -5.738 -3.353 1.743 1.00 0.00 C ATOM 630 CD2 LEU A 40 -8.164 -3.506 2.332 1.00 0.00 C ATOM 0 H LEU A 40 -8.588 -5.584 0.103 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.558 -2.926 0.073 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.822 -3.891 -0.799 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.241 -2.329 -0.125 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.032 -4.985 1.292 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.491 -3.721 2.739 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.978 -3.683 1.035 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.772 -2.264 1.757 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.884 -3.872 3.320 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.258 -2.420 2.360 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.118 -3.945 2.040 1.00 0.00 H new ATOM 642 N ALA A 41 -8.811 -4.267 -2.826 1.00 0.00 N ATOM 643 CA ALA A 41 -8.930 -4.090 -4.268 1.00 0.00 C ATOM 644 C ALA A 41 -10.393 -4.035 -4.696 1.00 0.00 C ATOM 645 O ALA A 41 -10.737 -3.380 -5.679 1.00 0.00 O ATOM 646 CB ALA A 41 -8.207 -5.211 -4.999 1.00 0.00 C ATOM 0 H ALA A 41 -8.509 -5.198 -2.539 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.465 -3.140 -4.532 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -8.304 -5.066 -6.075 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.152 -5.202 -4.726 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -8.646 -6.169 -4.721 1.00 0.00 H new ATOM 652 N ALA A 42 -11.249 -4.727 -3.951 1.00 0.00 N ATOM 653 CA ALA A 42 -12.674 -4.755 -4.253 1.00 0.00 C ATOM 654 C ALA A 42 -13.410 -3.629 -3.535 1.00 0.00 C ATOM 655 O ALA A 42 -14.473 -3.191 -3.973 1.00 0.00 O ATOM 656 CB ALA A 42 -13.268 -6.103 -3.871 1.00 0.00 C ATOM 0 H ALA A 42 -10.980 -5.275 -3.134 1.00 0.00 H new ATOM 0 HA ALA A 42 -12.795 -4.607 -5.326 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -14.333 -6.110 -4.102 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -12.770 -6.893 -4.433 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -13.127 -6.273 -2.804 1.00 0.00 H new ATOM 662 N SER A 43 -12.837 -3.165 -2.429 1.00 0.00 N ATOM 663 CA SER A 43 -13.441 -2.092 -1.648 1.00 0.00 C ATOM 664 C SER A 43 -12.978 -0.727 -2.149 1.00 0.00 C ATOM 665 O SER A 43 -13.791 0.116 -2.531 1.00 0.00 O ATOM 666 CB SER A 43 -13.089 -2.250 -0.167 1.00 0.00 C ATOM 667 OG SER A 43 -13.832 -1.347 0.633 1.00 0.00 O ATOM 0 H SER A 43 -11.956 -3.515 -2.054 1.00 0.00 H new ATOM 0 HA SER A 43 -14.523 -2.155 -1.766 1.00 0.00 H new ATOM 0 HB2 SER A 43 -13.291 -3.273 0.151 1.00 0.00 H new ATOM 0 HB3 SER A 43 -12.023 -2.076 -0.023 1.00 0.00 H new ATOM 0 HG SER A 43 -13.590 -1.469 1.575 1.00 0.00 H new ATOM 673 N LEU A 44 -11.666 -0.517 -2.145 1.00 0.00 N ATOM 674 CA LEU A 44 -11.093 0.745 -2.600 1.00 0.00 C ATOM 675 C LEU A 44 -11.227 0.891 -4.112 1.00 0.00 C ATOM 676 O LEU A 44 -11.142 1.995 -4.649 1.00 0.00 O ATOM 677 CB LEU A 44 -9.620 0.833 -2.196 1.00 0.00 C ATOM 678 CG LEU A 44 -9.299 0.480 -0.744 1.00 0.00 C ATOM 679 CD1 LEU A 44 -7.803 0.572 -0.490 1.00 0.00 C ATOM 680 CD2 LEU A 44 -10.061 1.392 0.207 1.00 0.00 C ATOM 0 H LEU A 44 -10.980 -1.204 -1.832 1.00 0.00 H new ATOM 0 HA LEU A 44 -11.643 1.558 -2.126 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.046 0.171 -2.845 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -9.272 1.848 -2.387 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.614 -0.547 -0.562 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.594 0.317 0.549 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.279 -0.123 -1.146 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.462 1.588 -0.690 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -9.821 1.127 1.236 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.777 2.428 0.024 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.132 1.275 0.043 1.00 0.00 H new ATOM 692 N GLY A 45 -11.441 -0.230 -4.793 1.00 0.00 N ATOM 693 CA GLY A 45 -11.586 -0.205 -6.237 1.00 0.00 C ATOM 694 C GLY A 45 -10.268 -0.412 -6.956 1.00 0.00 C ATOM 695 O GLY A 45 -10.131 -0.065 -8.130 1.00 0.00 O ATOM 0 H GLY A 45 -11.517 -1.155 -4.371 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -12.288 -0.981 -6.542 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -12.015 0.750 -6.539 1.00 0.00 H new ATOM 699 N LEU A 46 -9.294 -0.978 -6.252 1.00 0.00 N ATOM 700 CA LEU A 46 -7.979 -1.230 -6.830 1.00 0.00 C ATOM 701 C LEU A 46 -7.825 -2.698 -7.215 1.00 0.00 C ATOM 702 O LEU A 46 -8.717 -3.511 -6.976 1.00 0.00 O ATOM 703 CB LEU A 46 -6.881 -0.833 -5.841 1.00 0.00 C ATOM 704 CG LEU A 46 -6.973 0.582 -5.268 1.00 0.00 C ATOM 705 CD1 LEU A 46 -6.368 0.634 -3.874 1.00 0.00 C ATOM 706 CD2 LEU A 46 -6.280 1.576 -6.189 1.00 0.00 C ATOM 0 H LEU A 46 -9.390 -1.271 -5.280 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.884 -0.625 -7.732 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.893 -1.541 -5.012 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -5.917 -0.940 -6.337 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.025 0.856 -5.195 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.443 1.649 -3.483 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.907 -0.049 -3.218 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.320 0.339 -3.921 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.355 2.578 -5.766 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.230 1.304 -6.293 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.758 1.559 -7.168 1.00 0.00 H new ATOM 718 N THR A 47 -6.685 -3.031 -7.814 1.00 0.00 N ATOM 719 CA THR A 47 -6.413 -4.400 -8.232 1.00 0.00 C ATOM 720 C THR A 47 -5.395 -5.064 -7.312 1.00 0.00 C ATOM 721 O THR A 47 -4.598 -4.387 -6.663 1.00 0.00 O ATOM 722 CB THR A 47 -5.890 -4.452 -9.680 1.00 0.00 C ATOM 723 OG1 THR A 47 -5.565 -5.801 -10.035 1.00 0.00 O ATOM 724 CG2 THR A 47 -4.663 -3.569 -9.844 1.00 0.00 C ATOM 0 H THR A 47 -5.936 -2.370 -8.020 1.00 0.00 H new ATOM 0 HA THR A 47 -7.357 -4.941 -8.175 1.00 0.00 H new ATOM 0 HB THR A 47 -6.675 -4.082 -10.340 1.00 0.00 H new ATOM 0 HG1 THR A 47 -5.235 -5.826 -10.957 1.00 0.00 H new ATOM 0 HG21 THR A 47 -4.312 -3.622 -10.874 1.00 0.00 H new ATOM 0 HG22 THR A 47 -4.921 -2.538 -9.601 1.00 0.00 H new ATOM 0 HG23 THR A 47 -3.875 -3.913 -9.174 1.00 0.00 H new ATOM 732 N GLN A 48 -5.428 -6.392 -7.261 1.00 0.00 N ATOM 733 CA GLN A 48 -4.507 -7.147 -6.419 1.00 0.00 C ATOM 734 C GLN A 48 -3.061 -6.773 -6.725 1.00 0.00 C ATOM 735 O GLN A 48 -2.183 -6.895 -5.870 1.00 0.00 O ATOM 736 CB GLN A 48 -4.713 -8.649 -6.622 1.00 0.00 C ATOM 737 CG GLN A 48 -5.961 -9.189 -5.944 1.00 0.00 C ATOM 738 CD GLN A 48 -6.296 -10.603 -6.379 1.00 0.00 C ATOM 739 OE1 GLN A 48 -5.476 -11.287 -6.991 1.00 0.00 O ATOM 740 NE2 GLN A 48 -7.507 -11.048 -6.064 1.00 0.00 N ATOM 0 H GLN A 48 -6.082 -6.967 -7.792 1.00 0.00 H new ATOM 0 HA GLN A 48 -4.715 -6.897 -5.379 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.771 -8.858 -7.690 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -3.842 -9.182 -6.239 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -5.820 -9.169 -4.863 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -6.804 -8.535 -6.168 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -8.155 -10.446 -5.556 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -7.789 -11.991 -6.330 1.00 0.00 H new ATOM 749 N THR A 49 -2.818 -6.319 -7.950 1.00 0.00 N ATOM 750 CA THR A 49 -1.477 -5.929 -8.369 1.00 0.00 C ATOM 751 C THR A 49 -1.098 -4.567 -7.801 1.00 0.00 C ATOM 752 O THR A 49 0.082 -4.224 -7.723 1.00 0.00 O ATOM 753 CB THR A 49 -1.360 -5.883 -9.904 1.00 0.00 C ATOM 754 OG1 THR A 49 -1.881 -7.090 -10.472 1.00 0.00 O ATOM 755 CG2 THR A 49 0.089 -5.701 -10.331 1.00 0.00 C ATOM 0 H THR A 49 -3.532 -6.212 -8.670 1.00 0.00 H new ATOM 0 HA THR A 49 -0.793 -6.684 -7.982 1.00 0.00 H new ATOM 0 HB THR A 49 -1.939 -5.033 -10.265 1.00 0.00 H new ATOM 0 HG1 THR A 49 -1.804 -7.052 -11.448 1.00 0.00 H new ATOM 0 HG21 THR A 49 0.147 -5.671 -11.419 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.474 -4.767 -9.922 1.00 0.00 H new ATOM 0 HG23 THR A 49 0.685 -6.534 -9.959 1.00 0.00 H new ATOM 763 N GLN A 50 -2.105 -3.795 -7.404 1.00 0.00 N ATOM 764 CA GLN A 50 -1.875 -2.469 -6.842 1.00 0.00 C ATOM 765 C GLN A 50 -1.656 -2.547 -5.335 1.00 0.00 C ATOM 766 O GLN A 50 -0.662 -2.040 -4.814 1.00 0.00 O ATOM 767 CB GLN A 50 -3.057 -1.549 -7.151 1.00 0.00 C ATOM 768 CG GLN A 50 -2.991 -0.916 -8.532 1.00 0.00 C ATOM 769 CD GLN A 50 -3.649 0.449 -8.580 1.00 0.00 C ATOM 770 OE1 GLN A 50 -4.824 0.572 -8.929 1.00 0.00 O ATOM 771 NE2 GLN A 50 -2.895 1.483 -8.229 1.00 0.00 N ATOM 0 H GLN A 50 -3.087 -4.065 -7.461 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.975 -2.059 -7.300 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -3.982 -2.119 -7.066 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.098 -0.760 -6.400 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -1.948 -0.823 -8.836 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -3.476 -1.574 -9.253 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -1.926 1.335 -7.947 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -3.284 2.426 -8.242 1.00 0.00 H new ATOM 780 N VAL A 51 -2.592 -3.184 -4.638 1.00 0.00 N ATOM 781 CA VAL A 51 -2.501 -3.329 -3.190 1.00 0.00 C ATOM 782 C VAL A 51 -1.249 -4.102 -2.793 1.00 0.00 C ATOM 783 O VAL A 51 -0.712 -3.918 -1.700 1.00 0.00 O ATOM 784 CB VAL A 51 -3.738 -4.049 -2.620 1.00 0.00 C ATOM 785 CG1 VAL A 51 -3.435 -4.620 -1.243 1.00 0.00 C ATOM 786 CG2 VAL A 51 -4.926 -3.101 -2.563 1.00 0.00 C ATOM 0 H VAL A 51 -3.422 -3.608 -5.053 1.00 0.00 H new ATOM 0 HA VAL A 51 -2.451 -2.323 -2.773 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.994 -4.876 -3.282 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.320 -5.125 -0.856 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.614 -5.333 -1.317 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.154 -3.812 -0.568 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -5.791 -3.626 -2.158 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.684 -2.252 -1.923 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -5.155 -2.744 -3.567 1.00 0.00 H new ATOM 796 N LYS A 52 -0.786 -4.969 -3.687 1.00 0.00 N ATOM 797 CA LYS A 52 0.405 -5.770 -3.432 1.00 0.00 C ATOM 798 C LYS A 52 1.658 -4.900 -3.441 1.00 0.00 C ATOM 799 O LYS A 52 2.367 -4.806 -2.439 1.00 0.00 O ATOM 800 CB LYS A 52 0.534 -6.878 -4.479 1.00 0.00 C ATOM 801 CG LYS A 52 -0.159 -8.171 -4.085 1.00 0.00 C ATOM 802 CD LYS A 52 -0.309 -9.108 -5.272 1.00 0.00 C ATOM 803 CE LYS A 52 1.013 -9.770 -5.630 1.00 0.00 C ATOM 804 NZ LYS A 52 0.811 -11.043 -6.376 1.00 0.00 N ATOM 0 H LYS A 52 -1.218 -5.135 -4.596 1.00 0.00 H new ATOM 0 HA LYS A 52 0.304 -6.221 -2.445 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.117 -6.525 -5.422 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.591 -7.080 -4.653 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.412 -8.666 -3.300 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.142 -7.946 -3.671 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.050 -9.874 -5.041 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.683 -8.551 -6.131 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.610 -9.086 -6.233 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.578 -9.968 -4.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.735 -11.464 -6.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.263 -11.705 -5.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.294 -10.850 -7.257 1.00 0.00 H new ATOM 818 N ILE A 53 1.924 -4.265 -4.578 1.00 0.00 N ATOM 819 CA ILE A 53 3.090 -3.401 -4.715 1.00 0.00 C ATOM 820 C ILE A 53 3.128 -2.350 -3.612 1.00 0.00 C ATOM 821 O ILE A 53 4.200 -1.904 -3.202 1.00 0.00 O ATOM 822 CB ILE A 53 3.109 -2.695 -6.084 1.00 0.00 C ATOM 823 CG1 ILE A 53 3.066 -3.724 -7.214 1.00 0.00 C ATOM 824 CG2 ILE A 53 4.344 -1.815 -6.208 1.00 0.00 C ATOM 825 CD1 ILE A 53 2.722 -3.128 -8.561 1.00 0.00 C ATOM 0 H ILE A 53 1.348 -4.333 -5.417 1.00 0.00 H new ATOM 0 HA ILE A 53 3.969 -4.041 -4.633 1.00 0.00 H new ATOM 0 HB ILE A 53 2.225 -2.061 -6.162 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.035 -4.218 -7.281 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.333 -4.492 -6.968 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.344 -1.323 -7.180 1.00 0.00 H new ATOM 0 HG22 ILE A 53 4.335 -1.062 -5.420 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.239 -2.429 -6.113 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.710 -3.915 -9.315 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.740 -2.658 -8.511 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.468 -2.380 -8.829 1.00 0.00 H new ATOM 837 N TRP A 54 1.952 -1.959 -3.134 1.00 0.00 N ATOM 838 CA TRP A 54 1.850 -0.960 -2.076 1.00 0.00 C ATOM 839 C TRP A 54 2.372 -1.513 -0.754 1.00 0.00 C ATOM 840 O TRP A 54 3.232 -0.908 -0.114 1.00 0.00 O ATOM 841 CB TRP A 54 0.399 -0.504 -1.915 1.00 0.00 C ATOM 842 CG TRP A 54 0.247 0.683 -1.013 1.00 0.00 C ATOM 843 CD1 TRP A 54 0.055 1.981 -1.392 1.00 0.00 C ATOM 844 CD2 TRP A 54 0.276 0.681 0.418 1.00 0.00 C ATOM 845 NE1 TRP A 54 -0.038 2.786 -0.282 1.00 0.00 N ATOM 846 CE2 TRP A 54 0.094 2.013 0.841 1.00 0.00 C ATOM 847 CE3 TRP A 54 0.436 -0.316 1.384 1.00 0.00 C ATOM 848 CZ2 TRP A 54 0.069 2.370 2.186 1.00 0.00 C ATOM 849 CZ3 TRP A 54 0.411 0.041 2.719 1.00 0.00 C ATOM 850 CH2 TRP A 54 0.229 1.374 3.111 1.00 0.00 C ATOM 0 H TRP A 54 1.056 -2.318 -3.462 1.00 0.00 H new ATOM 0 HA TRP A 54 2.463 -0.104 -2.358 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.009 -0.261 -2.896 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.192 -1.330 -1.520 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -0.014 2.324 -2.414 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -0.182 3.796 -0.293 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.577 -1.346 1.093 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.072 3.397 2.489 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 0.534 -0.721 3.474 1.00 0.00 H new ATOM 0 HH2 TRP A 54 0.215 1.620 4.163 1.00 0.00 H new ATOM 861 N PHE A 55 1.846 -2.665 -0.351 1.00 0.00 N ATOM 862 CA PHE A 55 2.259 -3.298 0.896 1.00 0.00 C ATOM 863 C PHE A 55 3.717 -3.744 0.823 1.00 0.00 C ATOM 864 O PHE A 55 4.450 -3.668 1.809 1.00 0.00 O ATOM 865 CB PHE A 55 1.362 -4.498 1.205 1.00 0.00 C ATOM 866 CG PHE A 55 0.108 -4.134 1.947 1.00 0.00 C ATOM 867 CD1 PHE A 55 -0.863 -3.346 1.348 1.00 0.00 C ATOM 868 CD2 PHE A 55 -0.102 -4.579 3.242 1.00 0.00 C ATOM 869 CE1 PHE A 55 -2.017 -3.008 2.029 1.00 0.00 C ATOM 870 CE2 PHE A 55 -1.255 -4.245 3.927 1.00 0.00 C ATOM 871 CZ PHE A 55 -2.214 -3.459 3.319 1.00 0.00 C ATOM 0 H PHE A 55 1.133 -3.179 -0.869 1.00 0.00 H new ATOM 0 HA PHE A 55 2.161 -2.564 1.696 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.092 -4.990 0.270 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.926 -5.221 1.794 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.716 -2.993 0.338 1.00 0.00 H new ATOM 0 HD2 PHE A 55 0.644 -5.194 3.722 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.765 -2.391 1.552 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -1.406 -4.598 4.936 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.116 -3.198 3.852 1.00 0.00 H new ATOM 881 N GLN A 56 4.128 -4.211 -0.352 1.00 0.00 N ATOM 882 CA GLN A 56 5.497 -4.670 -0.553 1.00 0.00 C ATOM 883 C GLN A 56 6.479 -3.505 -0.485 1.00 0.00 C ATOM 884 O GLN A 56 7.418 -3.518 0.309 1.00 0.00 O ATOM 885 CB GLN A 56 5.625 -5.382 -1.902 1.00 0.00 C ATOM 886 CG GLN A 56 6.765 -6.386 -1.953 1.00 0.00 C ATOM 887 CD GLN A 56 6.989 -6.943 -3.345 1.00 0.00 C ATOM 888 OE1 GLN A 56 6.563 -8.056 -3.657 1.00 0.00 O ATOM 889 NE2 GLN A 56 7.661 -6.171 -4.191 1.00 0.00 N ATOM 0 H GLN A 56 3.533 -4.281 -1.178 1.00 0.00 H new ATOM 0 HA GLN A 56 5.739 -5.371 0.246 1.00 0.00 H new ATOM 0 HB2 GLN A 56 4.689 -5.896 -2.123 1.00 0.00 H new ATOM 0 HB3 GLN A 56 5.772 -4.637 -2.684 1.00 0.00 H new ATOM 0 HG2 GLN A 56 7.681 -5.908 -1.605 1.00 0.00 H new ATOM 0 HG3 GLN A 56 6.553 -7.206 -1.267 1.00 0.00 H new ATOM 0 HE21 GLN A 56 7.996 -5.256 -3.890 1.00 0.00 H new ATOM 0 HE22 GLN A 56 7.842 -6.493 -5.142 1.00 0.00 H new ATOM 898 N ASN A 57 6.254 -2.498 -1.323 1.00 0.00 N ATOM 899 CA ASN A 57 7.119 -1.325 -1.358 1.00 0.00 C ATOM 900 C ASN A 57 7.279 -0.725 0.036 1.00 0.00 C ATOM 901 O ASN A 57 8.391 -0.426 0.471 1.00 0.00 O ATOM 902 CB ASN A 57 6.551 -0.275 -2.315 1.00 0.00 C ATOM 903 CG ASN A 57 7.045 -0.462 -3.737 1.00 0.00 C ATOM 904 OD1 ASN A 57 7.787 0.368 -4.263 1.00 0.00 O ATOM 905 ND2 ASN A 57 6.633 -1.556 -4.367 1.00 0.00 N ATOM 0 H ASN A 57 5.480 -2.471 -1.987 1.00 0.00 H new ATOM 0 HA ASN A 57 8.100 -1.639 -1.714 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.462 -0.326 -2.302 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.828 0.719 -1.965 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.931 -1.735 -5.326 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.018 -2.217 -3.892 1.00 0.00 H new ATOM 912 N LYS A 58 6.160 -0.553 0.731 1.00 0.00 N ATOM 913 CA LYS A 58 6.174 0.009 2.076 1.00 0.00 C ATOM 914 C LYS A 58 7.119 -0.773 2.983 1.00 0.00 C ATOM 915 O LYS A 58 8.022 -0.202 3.595 1.00 0.00 O ATOM 916 CB LYS A 58 4.763 0.005 2.668 1.00 0.00 C ATOM 917 CG LYS A 58 4.512 1.134 3.653 1.00 0.00 C ATOM 918 CD LYS A 58 4.317 2.462 2.941 1.00 0.00 C ATOM 919 CE LYS A 58 3.228 2.372 1.883 1.00 0.00 C ATOM 920 NZ LYS A 58 2.749 3.719 1.465 1.00 0.00 N ATOM 0 H LYS A 58 5.232 -0.795 0.385 1.00 0.00 H new ATOM 0 HA LYS A 58 6.530 1.037 2.009 1.00 0.00 H new ATOM 0 HB2 LYS A 58 4.038 0.074 1.857 1.00 0.00 H new ATOM 0 HB3 LYS A 58 4.591 -0.948 3.169 1.00 0.00 H new ATOM 0 HG2 LYS A 58 3.629 0.907 4.250 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.353 1.210 4.343 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.057 3.231 3.668 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.254 2.768 2.475 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.609 1.836 1.014 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.390 1.793 2.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.709 3.736 1.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.112 4.437 2.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 3.091 3.927 0.505 1.00 0.00 H new ATOM 934 N ARG A 59 6.906 -2.082 3.064 1.00 0.00 N ATOM 935 CA ARG A 59 7.739 -2.942 3.895 1.00 0.00 C ATOM 936 C ARG A 59 9.215 -2.767 3.551 1.00 0.00 C ATOM 937 O ARG A 59 10.093 -3.123 4.337 1.00 0.00 O ATOM 938 CB ARG A 59 7.334 -4.407 3.718 1.00 0.00 C ATOM 939 CG ARG A 59 6.272 -4.868 4.703 1.00 0.00 C ATOM 940 CD ARG A 59 6.895 -5.446 5.964 1.00 0.00 C ATOM 941 NE ARG A 59 7.579 -6.710 5.706 1.00 0.00 N ATOM 942 CZ ARG A 59 8.386 -7.302 6.580 1.00 0.00 C ATOM 943 NH1 ARG A 59 8.607 -6.746 7.764 1.00 0.00 N ATOM 944 NH2 ARG A 59 8.972 -8.451 6.272 1.00 0.00 N ATOM 0 H ARG A 59 6.163 -2.570 2.564 1.00 0.00 H new ATOM 0 HA ARG A 59 7.589 -2.654 4.935 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.964 -4.553 2.703 1.00 0.00 H new ATOM 0 HB3 ARG A 59 8.218 -5.035 3.829 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.629 -4.028 4.966 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.639 -5.619 4.232 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.603 -4.729 6.380 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.119 -5.600 6.714 1.00 0.00 H new ATOM 0 HE ARG A 59 7.429 -7.164 4.805 1.00 0.00 H new ATOM 0 HH11 ARG A 59 8.157 -5.863 8.005 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.227 -7.202 8.434 1.00 0.00 H new ATOM 0 HH21 ARG A 59 8.804 -8.882 5.363 1.00 0.00 H new ATOM 0 HH22 ARG A 59 9.591 -8.904 6.944 1.00 0.00 H new