USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=11 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 30:sc= 0.0829 USER MOD Single : A 14 TYR OH : rot 136:sc= 0.238 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -3.69! C(o=-3.7!,f=-6.1!) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 27 GLN : amide:sc= -0.0798 X(o=-0.08,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot -115:sc= 1.05 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 124:sc= 1.24 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.05 K(o=-0.05,f=-1.8!) 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+ 137:sc= -0.453 (180deg=-1.41) USER MOD Single : A 56 GLN : amide:sc= -1.08 K(o=-1.1,f=-0.19) USER MOD Single : A 57 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 58 LYS NZ :NH3+ -141:sc= 0.612 (180deg=-0.0799) USER MOD ----------------------------------------------------------------- ATOM 150 N THR A 12 -1.013 12.140 -5.282 1.00 0.00 N ATOM 151 CA THR A 12 -0.138 11.059 -4.846 1.00 0.00 C ATOM 152 C THR A 12 -0.378 9.794 -5.662 1.00 0.00 C ATOM 153 O THR A 12 -1.434 9.631 -6.275 1.00 0.00 O ATOM 154 CB THR A 12 -0.342 10.739 -3.353 1.00 0.00 C ATOM 155 OG1 THR A 12 -0.120 11.914 -2.566 1.00 0.00 O ATOM 156 CG2 THR A 12 0.602 9.635 -2.903 1.00 0.00 C ATOM 0 HA THR A 12 0.886 11.399 -5.001 1.00 0.00 H new ATOM 0 HB THR A 12 -1.368 10.397 -3.214 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.363 12.708 -3.087 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.440 9.426 -1.846 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.411 8.733 -3.485 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.633 9.953 -3.056 1.00 0.00 H new ATOM 164 N ILE A 13 0.607 8.902 -5.666 1.00 0.00 N ATOM 165 CA ILE A 13 0.501 7.651 -6.406 1.00 0.00 C ATOM 166 C ILE A 13 -0.830 6.960 -6.130 1.00 0.00 C ATOM 167 O ILE A 13 -1.268 6.103 -6.898 1.00 0.00 O ATOM 168 CB ILE A 13 1.650 6.689 -6.051 1.00 0.00 C ATOM 169 CG1 ILE A 13 3.002 7.358 -6.305 1.00 0.00 C ATOM 170 CG2 ILE A 13 1.530 5.402 -6.855 1.00 0.00 C ATOM 171 CD1 ILE A 13 3.259 7.667 -7.763 1.00 0.00 C ATOM 0 H ILE A 13 1.487 9.023 -5.165 1.00 0.00 H new ATOM 0 HA ILE A 13 0.563 7.904 -7.464 1.00 0.00 H new ATOM 0 HB ILE A 13 1.583 6.441 -4.992 1.00 0.00 H new ATOM 0 HG12 ILE A 13 3.054 8.283 -5.731 1.00 0.00 H new ATOM 0 HG13 ILE A 13 3.795 6.708 -5.934 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.349 4.732 -6.593 1.00 0.00 H new ATOM 0 HG22 ILE A 13 0.579 4.919 -6.629 1.00 0.00 H new ATOM 0 HG23 ILE A 13 1.576 5.632 -7.919 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.235 8.140 -7.868 1.00 0.00 H new ATOM 0 HD12 ILE A 13 3.240 6.742 -8.340 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.487 8.342 -8.133 1.00 0.00 H new ATOM 183 N TYR A 14 -1.470 7.339 -5.029 1.00 0.00 N ATOM 184 CA TYR A 14 -2.752 6.756 -4.651 1.00 0.00 C ATOM 185 C TYR A 14 -3.717 7.832 -4.163 1.00 0.00 C ATOM 186 O TYR A 14 -3.300 8.869 -3.648 1.00 0.00 O ATOM 187 CB TYR A 14 -2.554 5.700 -3.562 1.00 0.00 C ATOM 188 CG TYR A 14 -2.059 4.372 -4.089 1.00 0.00 C ATOM 189 CD1 TYR A 14 -0.743 4.214 -4.506 1.00 0.00 C ATOM 190 CD2 TYR A 14 -2.908 3.275 -4.169 1.00 0.00 C ATOM 191 CE1 TYR A 14 -0.287 3.003 -4.989 1.00 0.00 C ATOM 192 CE2 TYR A 14 -2.460 2.059 -4.649 1.00 0.00 C ATOM 193 CZ TYR A 14 -1.149 1.929 -5.058 1.00 0.00 C ATOM 194 OH TYR A 14 -0.699 0.720 -5.537 1.00 0.00 O ATOM 0 H TYR A 14 -1.122 8.047 -4.383 1.00 0.00 H new ATOM 0 HA TYR A 14 -3.182 6.282 -5.534 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.843 6.077 -2.827 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.499 5.545 -3.042 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.065 5.053 -4.451 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -3.935 3.374 -3.851 1.00 0.00 H new ATOM 0 HE1 TYR A 14 0.739 2.898 -5.311 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -3.132 1.216 -4.704 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.023 -0.002 -4.959 1.00 0.00 H new ATOM 204 N SER A 15 -5.011 7.575 -4.327 1.00 0.00 N ATOM 205 CA SER A 15 -6.037 8.522 -3.907 1.00 0.00 C ATOM 206 C SER A 15 -6.163 8.547 -2.386 1.00 0.00 C ATOM 207 O SER A 15 -6.189 7.502 -1.737 1.00 0.00 O ATOM 208 CB SER A 15 -7.384 8.159 -4.535 1.00 0.00 C ATOM 209 OG SER A 15 -8.205 9.305 -4.679 1.00 0.00 O ATOM 0 H SER A 15 -5.373 6.719 -4.748 1.00 0.00 H new ATOM 0 HA SER A 15 -5.741 9.515 -4.247 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.222 7.699 -5.510 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.891 7.420 -3.914 1.00 0.00 H new ATOM 0 HG SER A 15 -9.059 9.047 -5.084 1.00 0.00 H new ATOM 215 N SER A 16 -6.239 9.750 -1.825 1.00 0.00 N ATOM 216 CA SER A 16 -6.358 9.913 -0.381 1.00 0.00 C ATOM 217 C SER A 16 -7.315 8.879 0.206 1.00 0.00 C ATOM 218 O SER A 16 -6.987 8.192 1.173 1.00 0.00 O ATOM 219 CB SER A 16 -6.844 11.324 -0.044 1.00 0.00 C ATOM 220 OG SER A 16 -8.003 11.655 -0.789 1.00 0.00 O ATOM 0 H SER A 16 -6.220 10.625 -2.348 1.00 0.00 H new ATOM 0 HA SER A 16 -5.372 9.761 0.059 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.061 11.392 1.022 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.054 12.044 -0.255 1.00 0.00 H new ATOM 0 HG SER A 16 -8.295 12.561 -0.555 1.00 0.00 H new ATOM 226 N PHE A 17 -8.500 8.776 -0.386 1.00 0.00 N ATOM 227 CA PHE A 17 -9.506 7.828 0.077 1.00 0.00 C ATOM 228 C PHE A 17 -8.920 6.423 0.185 1.00 0.00 C ATOM 229 O PHE A 17 -9.026 5.774 1.225 1.00 0.00 O ATOM 230 CB PHE A 17 -10.706 7.821 -0.872 1.00 0.00 C ATOM 231 CG PHE A 17 -11.617 6.643 -0.678 1.00 0.00 C ATOM 232 CD1 PHE A 17 -12.166 6.372 0.566 1.00 0.00 C ATOM 233 CD2 PHE A 17 -11.926 5.806 -1.738 1.00 0.00 C ATOM 234 CE1 PHE A 17 -13.004 5.288 0.747 1.00 0.00 C ATOM 235 CE2 PHE A 17 -12.763 4.721 -1.563 1.00 0.00 C ATOM 236 CZ PHE A 17 -13.304 4.462 -0.318 1.00 0.00 C ATOM 0 H PHE A 17 -8.787 9.338 -1.188 1.00 0.00 H new ATOM 0 HA PHE A 17 -9.837 8.142 1.067 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -11.277 8.739 -0.730 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -10.346 7.826 -1.901 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -11.936 7.015 1.403 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -11.507 6.004 -2.714 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -13.424 5.087 1.721 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -12.994 4.076 -2.398 1.00 0.00 H new ATOM 0 HZ PHE A 17 -13.960 3.615 -0.178 1.00 0.00 H new ATOM 246 N GLN A 18 -8.304 5.960 -0.898 1.00 0.00 N ATOM 247 CA GLN A 18 -7.703 4.632 -0.926 1.00 0.00 C ATOM 248 C GLN A 18 -6.594 4.515 0.115 1.00 0.00 C ATOM 249 O GLN A 18 -6.580 3.583 0.920 1.00 0.00 O ATOM 250 CB GLN A 18 -7.146 4.330 -2.318 1.00 0.00 C ATOM 251 CG GLN A 18 -8.215 4.246 -3.396 1.00 0.00 C ATOM 252 CD GLN A 18 -7.631 4.074 -4.784 1.00 0.00 C ATOM 253 OE1 GLN A 18 -6.486 4.448 -5.040 1.00 0.00 O ATOM 254 NE2 GLN A 18 -8.417 3.505 -5.691 1.00 0.00 N ATOM 0 H GLN A 18 -8.208 6.485 -1.767 1.00 0.00 H new ATOM 0 HA GLN A 18 -8.479 3.904 -0.688 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -6.429 5.105 -2.589 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -6.600 3.387 -2.285 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -8.879 3.410 -3.179 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -8.823 5.151 -3.371 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -9.359 3.210 -5.436 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -8.078 3.363 -6.643 1.00 0.00 H new ATOM 263 N LEU A 19 -5.665 5.464 0.092 1.00 0.00 N ATOM 264 CA LEU A 19 -4.551 5.468 1.034 1.00 0.00 C ATOM 265 C LEU A 19 -5.050 5.318 2.468 1.00 0.00 C ATOM 266 O LEU A 19 -4.568 4.470 3.218 1.00 0.00 O ATOM 267 CB LEU A 19 -3.744 6.759 0.895 1.00 0.00 C ATOM 268 CG LEU A 19 -2.578 6.718 -0.094 1.00 0.00 C ATOM 269 CD1 LEU A 19 -1.680 7.932 0.089 1.00 0.00 C ATOM 270 CD2 LEU A 19 -1.781 5.433 0.074 1.00 0.00 C ATOM 0 H LEU A 19 -5.661 6.241 -0.569 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.908 4.619 0.802 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.422 7.557 0.594 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.353 7.027 1.876 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.984 6.741 -1.105 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.856 7.886 -0.623 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.257 8.841 -0.082 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.282 7.941 1.104 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.956 5.421 -0.638 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.386 5.380 1.089 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.430 4.576 -0.108 1.00 0.00 H new ATOM 282 N ALA A 20 -6.019 6.148 2.841 1.00 0.00 N ATOM 283 CA ALA A 20 -6.585 6.105 4.184 1.00 0.00 C ATOM 284 C ALA A 20 -6.721 4.669 4.677 1.00 0.00 C ATOM 285 O ALA A 20 -5.995 4.239 5.572 1.00 0.00 O ATOM 286 CB ALA A 20 -7.937 6.804 4.208 1.00 0.00 C ATOM 0 H ALA A 20 -6.428 6.857 2.233 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.905 6.628 4.856 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.349 6.765 5.216 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.814 7.844 3.906 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.617 6.304 3.519 1.00 0.00 H new ATOM 292 N ALA A 21 -7.657 3.932 4.087 1.00 0.00 N ATOM 293 CA ALA A 21 -7.887 2.543 4.466 1.00 0.00 C ATOM 294 C ALA A 21 -6.593 1.738 4.412 1.00 0.00 C ATOM 295 O ALA A 21 -6.271 0.997 5.342 1.00 0.00 O ATOM 296 CB ALA A 21 -8.939 1.917 3.563 1.00 0.00 C ATOM 0 H ALA A 21 -8.268 4.274 3.345 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.251 2.528 5.493 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.101 0.880 3.857 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.874 2.470 3.655 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.598 1.952 2.528 1.00 0.00 H new ATOM 302 N LEU A 22 -5.855 1.886 3.317 1.00 0.00 N ATOM 303 CA LEU A 22 -4.595 1.171 3.141 1.00 0.00 C ATOM 304 C LEU A 22 -3.722 1.293 4.386 1.00 0.00 C ATOM 305 O LEU A 22 -3.424 0.298 5.046 1.00 0.00 O ATOM 306 CB LEU A 22 -3.845 1.712 1.923 1.00 0.00 C ATOM 307 CG LEU A 22 -4.286 1.164 0.565 1.00 0.00 C ATOM 308 CD1 LEU A 22 -3.602 1.919 -0.564 1.00 0.00 C ATOM 309 CD2 LEU A 22 -3.989 -0.325 0.470 1.00 0.00 C ATOM 0 H LEU A 22 -6.107 2.494 2.538 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.822 0.117 2.981 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.953 2.797 1.907 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.784 1.499 2.051 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.362 1.307 0.469 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.928 1.515 -1.522 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.865 2.975 -0.507 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.521 1.809 -0.473 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.309 -0.699 -0.503 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.918 -0.491 0.588 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.527 -0.854 1.257 1.00 0.00 H new ATOM 321 N GLN A 23 -3.317 2.520 4.700 1.00 0.00 N ATOM 322 CA GLN A 23 -2.479 2.771 5.867 1.00 0.00 C ATOM 323 C GLN A 23 -3.052 2.091 7.106 1.00 0.00 C ATOM 324 O GLN A 23 -2.341 1.389 7.825 1.00 0.00 O ATOM 325 CB GLN A 23 -2.346 4.275 6.111 1.00 0.00 C ATOM 326 CG GLN A 23 -1.257 4.933 5.280 1.00 0.00 C ATOM 327 CD GLN A 23 0.096 4.906 5.964 1.00 0.00 C ATOM 328 OE1 GLN A 23 0.258 5.432 7.066 1.00 0.00 O ATOM 329 NE2 GLN A 23 1.076 4.291 5.313 1.00 0.00 N ATOM 0 H GLN A 23 -3.555 3.354 4.164 1.00 0.00 H new ATOM 0 HA GLN A 23 -1.492 2.353 5.671 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -3.299 4.756 5.891 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -2.139 4.446 7.167 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -1.184 4.426 4.318 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -1.536 5.967 5.076 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.897 3.869 4.402 1.00 0.00 H new ATOM 0 HE22 GLN A 23 2.008 4.241 5.724 1.00 0.00 H new ATOM 338 N ARG A 24 -4.341 2.303 7.349 1.00 0.00 N ATOM 339 CA ARG A 24 -5.009 1.712 8.501 1.00 0.00 C ATOM 340 C ARG A 24 -4.871 0.192 8.489 1.00 0.00 C ATOM 341 O ARG A 24 -4.694 -0.433 9.534 1.00 0.00 O ATOM 342 CB ARG A 24 -6.488 2.101 8.515 1.00 0.00 C ATOM 343 CG ARG A 24 -6.779 3.362 9.313 1.00 0.00 C ATOM 344 CD ARG A 24 -6.732 4.601 8.433 1.00 0.00 C ATOM 345 NE ARG A 24 -5.374 5.118 8.289 1.00 0.00 N ATOM 346 CZ ARG A 24 -5.097 6.383 7.993 1.00 0.00 C ATOM 347 NH1 ARG A 24 -6.079 7.255 7.811 1.00 0.00 N ATOM 348 NH2 ARG A 24 -3.836 6.778 7.878 1.00 0.00 N ATOM 0 H ARG A 24 -4.944 2.880 6.763 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.531 2.096 9.403 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.827 2.244 7.489 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.068 1.277 8.930 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.762 3.281 9.777 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -6.052 3.459 10.120 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -7.135 4.362 7.449 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -7.371 5.374 8.860 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.596 4.473 8.423 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -7.050 6.955 7.898 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -5.863 8.226 7.584 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -3.078 6.110 8.017 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -3.625 7.750 7.651 1.00 0.00 H new ATOM 362 N ARG A 25 -4.955 -0.394 7.300 1.00 0.00 N ATOM 363 CA ARG A 25 -4.842 -1.840 7.151 1.00 0.00 C ATOM 364 C ARG A 25 -3.397 -2.295 7.338 1.00 0.00 C ATOM 365 O ARG A 25 -3.137 -3.352 7.913 1.00 0.00 O ATOM 366 CB ARG A 25 -5.351 -2.275 5.776 1.00 0.00 C ATOM 367 CG ARG A 25 -5.928 -3.681 5.756 1.00 0.00 C ATOM 368 CD ARG A 25 -6.923 -3.890 6.887 1.00 0.00 C ATOM 369 NE ARG A 25 -6.296 -4.486 8.064 1.00 0.00 N ATOM 370 CZ ARG A 25 -6.092 -5.790 8.207 1.00 0.00 C ATOM 371 NH1 ARG A 25 -6.462 -6.631 7.251 1.00 0.00 N ATOM 372 NH2 ARG A 25 -5.515 -6.256 9.307 1.00 0.00 N ATOM 0 H ARG A 25 -5.101 0.110 6.425 1.00 0.00 H new ATOM 0 HA ARG A 25 -5.455 -2.308 7.922 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.115 -1.573 5.442 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.531 -2.218 5.060 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -6.419 -3.860 4.800 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.121 -4.408 5.841 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -7.369 -2.933 7.159 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -7.733 -4.533 6.543 1.00 0.00 H new ATOM 0 HE ARG A 25 -5.999 -3.866 8.817 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.905 -6.277 6.403 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -6.304 -7.632 7.363 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -5.228 -5.612 10.044 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -5.359 -7.258 9.416 1.00 0.00 H new ATOM 386 N PHE A 26 -2.461 -1.489 6.847 1.00 0.00 N ATOM 387 CA PHE A 26 -1.043 -1.808 6.958 1.00 0.00 C ATOM 388 C PHE A 26 -0.639 -1.994 8.417 1.00 0.00 C ATOM 389 O PHE A 26 -0.142 -3.050 8.804 1.00 0.00 O ATOM 390 CB PHE A 26 -0.198 -0.704 6.320 1.00 0.00 C ATOM 391 CG PHE A 26 1.279 -0.966 6.384 1.00 0.00 C ATOM 392 CD1 PHE A 26 1.830 -2.064 5.744 1.00 0.00 C ATOM 393 CD2 PHE A 26 2.118 -0.114 7.085 1.00 0.00 C ATOM 394 CE1 PHE A 26 3.189 -2.308 5.801 1.00 0.00 C ATOM 395 CE2 PHE A 26 3.478 -0.353 7.145 1.00 0.00 C ATOM 396 CZ PHE A 26 4.014 -1.452 6.503 1.00 0.00 C ATOM 0 H PHE A 26 -2.659 -0.610 6.369 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.865 -2.744 6.428 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.493 -0.588 5.277 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.413 0.241 6.819 1.00 0.00 H new ATOM 0 HD1 PHE A 26 1.190 -2.738 5.194 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.704 0.746 7.590 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.605 -3.168 5.297 1.00 0.00 H new ATOM 0 HE2 PHE A 26 4.121 0.319 7.694 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.076 -1.641 6.550 1.00 0.00 H new ATOM 406 N GLN A 27 -0.858 -0.958 9.221 1.00 0.00 N ATOM 407 CA GLN A 27 -0.516 -1.006 10.638 1.00 0.00 C ATOM 408 C GLN A 27 -1.293 -2.110 11.348 1.00 0.00 C ATOM 409 O GLN A 27 -0.778 -2.759 12.259 1.00 0.00 O ATOM 410 CB GLN A 27 -0.803 0.343 11.300 1.00 0.00 C ATOM 411 CG GLN A 27 -2.249 0.792 11.162 1.00 0.00 C ATOM 412 CD GLN A 27 -2.522 2.102 11.875 1.00 0.00 C ATOM 413 OE1 GLN A 27 -2.498 2.171 13.104 1.00 0.00 O ATOM 414 NE2 GLN A 27 -2.786 3.151 11.104 1.00 0.00 N ATOM 0 H GLN A 27 -1.270 -0.076 8.916 1.00 0.00 H new ATOM 0 HA GLN A 27 0.549 -1.224 10.722 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -0.550 0.280 12.358 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -0.153 1.100 10.861 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -2.493 0.900 10.105 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -2.905 0.020 11.564 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -2.795 3.049 10.089 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -2.979 4.059 11.527 1.00 0.00 H new ATOM 423 N LYS A 28 -2.535 -2.317 10.927 1.00 0.00 N ATOM 424 CA LYS A 28 -3.384 -3.343 11.521 1.00 0.00 C ATOM 425 C LYS A 28 -2.854 -4.738 11.206 1.00 0.00 C ATOM 426 O LYS A 28 -3.084 -5.686 11.958 1.00 0.00 O ATOM 427 CB LYS A 28 -4.821 -3.204 11.011 1.00 0.00 C ATOM 428 CG LYS A 28 -5.596 -2.080 11.676 1.00 0.00 C ATOM 429 CD LYS A 28 -5.935 -2.415 13.119 1.00 0.00 C ATOM 430 CE LYS A 28 -6.277 -1.165 13.916 1.00 0.00 C ATOM 431 NZ LYS A 28 -5.055 -0.459 14.391 1.00 0.00 N ATOM 0 H LYS A 28 -2.977 -1.787 10.176 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.374 -3.206 12.602 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.801 -3.033 9.935 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.348 -4.144 11.174 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.009 -1.162 11.643 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.514 -1.891 11.120 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.777 -3.106 13.145 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.091 -2.924 13.583 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.869 -0.490 13.297 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -6.895 -1.437 14.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.330 0.387 14.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.503 -1.094 15.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.478 -0.176 13.574 1.00 0.00 H new ATOM 445 N THR A 29 -2.143 -4.857 10.089 1.00 0.00 N ATOM 446 CA THR A 29 -1.580 -6.136 9.675 1.00 0.00 C ATOM 447 C THR A 29 -0.523 -5.947 8.593 1.00 0.00 C ATOM 448 O THR A 29 -0.718 -5.182 7.649 1.00 0.00 O ATOM 449 CB THR A 29 -2.672 -7.086 9.148 1.00 0.00 C ATOM 450 OG1 THR A 29 -2.130 -8.398 8.959 1.00 0.00 O ATOM 451 CG2 THR A 29 -3.247 -6.576 7.835 1.00 0.00 C ATOM 0 H THR A 29 -1.944 -4.083 9.455 1.00 0.00 H new ATOM 0 HA THR A 29 -1.118 -6.578 10.558 1.00 0.00 H new ATOM 0 HB THR A 29 -3.474 -7.126 9.886 1.00 0.00 H new ATOM 0 HG1 THR A 29 -2.147 -8.625 8.006 1.00 0.00 H new ATOM 0 HG21 THR A 29 -4.016 -7.264 7.483 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.685 -5.590 7.988 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.453 -6.509 7.092 1.00 0.00 H new ATOM 459 N GLN A 30 0.597 -6.649 8.737 1.00 0.00 N ATOM 460 CA GLN A 30 1.685 -6.557 7.771 1.00 0.00 C ATOM 461 C GLN A 30 1.450 -7.499 6.595 1.00 0.00 C ATOM 462 O GLN A 30 1.950 -7.269 5.494 1.00 0.00 O ATOM 463 CB GLN A 30 3.020 -6.884 8.443 1.00 0.00 C ATOM 464 CG GLN A 30 3.528 -5.781 9.357 1.00 0.00 C ATOM 465 CD GLN A 30 4.570 -6.273 10.342 1.00 0.00 C ATOM 466 OE1 GLN A 30 4.323 -6.331 11.547 1.00 0.00 O ATOM 467 NE2 GLN A 30 5.743 -6.630 9.834 1.00 0.00 N ATOM 0 H GLN A 30 0.774 -7.287 9.513 1.00 0.00 H new ATOM 0 HA GLN A 30 1.717 -5.535 7.393 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.911 -7.802 9.021 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.767 -7.079 7.673 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.955 -4.981 8.752 1.00 0.00 H new ATOM 0 HG3 GLN A 30 2.689 -5.353 9.905 1.00 0.00 H new ATOM 0 HE21 GLN A 30 5.904 -6.566 8.829 1.00 0.00 H new ATOM 0 HE22 GLN A 30 6.483 -6.969 10.449 1.00 0.00 H new ATOM 476 N TYR A 31 0.687 -8.559 6.836 1.00 0.00 N ATOM 477 CA TYR A 31 0.388 -9.537 5.797 1.00 0.00 C ATOM 478 C TYR A 31 -1.119 -9.703 5.622 1.00 0.00 C ATOM 479 O TYR A 31 -1.867 -9.757 6.599 1.00 0.00 O ATOM 480 CB TYR A 31 1.024 -10.886 6.138 1.00 0.00 C ATOM 481 CG TYR A 31 2.404 -10.767 6.745 1.00 0.00 C ATOM 482 CD1 TYR A 31 3.495 -10.392 5.970 1.00 0.00 C ATOM 483 CD2 TYR A 31 2.618 -11.031 8.092 1.00 0.00 C ATOM 484 CE1 TYR A 31 4.758 -10.284 6.519 1.00 0.00 C ATOM 485 CE2 TYR A 31 3.877 -10.924 8.650 1.00 0.00 C ATOM 486 CZ TYR A 31 4.944 -10.550 7.860 1.00 0.00 C ATOM 487 OH TYR A 31 6.200 -10.443 8.412 1.00 0.00 O ATOM 0 H TYR A 31 0.264 -8.763 7.742 1.00 0.00 H new ATOM 0 HA TYR A 31 0.807 -9.172 4.859 1.00 0.00 H new ATOM 0 HB2 TYR A 31 0.375 -11.419 6.833 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.085 -11.489 5.232 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.353 -10.181 4.920 1.00 0.00 H new ATOM 0 HD2 TYR A 31 1.785 -11.325 8.714 1.00 0.00 H new ATOM 0 HE1 TYR A 31 5.595 -9.993 5.902 1.00 0.00 H new ATOM 0 HE2 TYR A 31 4.025 -11.132 9.699 1.00 0.00 H new ATOM 0 HH TYR A 31 6.158 -10.663 9.366 1.00 0.00 H new ATOM 497 N LEU A 32 -1.557 -9.785 4.371 1.00 0.00 N ATOM 498 CA LEU A 32 -2.975 -9.945 4.066 1.00 0.00 C ATOM 499 C LEU A 32 -3.235 -11.281 3.376 1.00 0.00 C ATOM 500 O LEU A 32 -2.497 -11.680 2.476 1.00 0.00 O ATOM 501 CB LEU A 32 -3.459 -8.797 3.179 1.00 0.00 C ATOM 502 CG LEU A 32 -3.506 -7.416 3.834 1.00 0.00 C ATOM 503 CD1 LEU A 32 -3.797 -6.343 2.797 1.00 0.00 C ATOM 504 CD2 LEU A 32 -4.549 -7.387 4.942 1.00 0.00 C ATOM 0 H LEU A 32 -0.951 -9.743 3.551 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.528 -9.928 5.005 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.809 -8.741 2.305 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.458 -9.040 2.818 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.531 -7.210 4.275 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.827 -5.367 3.282 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.014 -6.348 2.039 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.759 -6.544 2.326 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.569 -6.397 5.397 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.530 -7.614 4.524 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.296 -8.129 5.699 1.00 0.00 H new ATOM 516 N ALA A 33 -4.291 -11.965 3.803 1.00 0.00 N ATOM 517 CA ALA A 33 -4.652 -13.254 3.224 1.00 0.00 C ATOM 518 C ALA A 33 -5.184 -13.088 1.805 1.00 0.00 C ATOM 519 O ALA A 33 -5.233 -11.977 1.275 1.00 0.00 O ATOM 520 CB ALA A 33 -5.681 -13.956 4.098 1.00 0.00 C ATOM 0 H ALA A 33 -4.912 -11.648 4.548 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.753 -13.868 3.177 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.941 -14.917 3.654 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.265 -14.117 5.092 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.575 -13.338 4.175 1.00 0.00 H new ATOM 526 N LEU A 34 -5.582 -14.198 1.194 1.00 0.00 N ATOM 527 CA LEU A 34 -6.111 -14.176 -0.165 1.00 0.00 C ATOM 528 C LEU A 34 -7.280 -13.203 -0.279 1.00 0.00 C ATOM 529 O LEU A 34 -7.247 -12.241 -1.046 1.00 0.00 O ATOM 530 CB LEU A 34 -6.557 -15.578 -0.583 1.00 0.00 C ATOM 531 CG LEU A 34 -7.760 -15.647 -1.524 1.00 0.00 C ATOM 532 CD1 LEU A 34 -7.375 -15.181 -2.919 1.00 0.00 C ATOM 533 CD2 LEU A 34 -8.322 -17.061 -1.569 1.00 0.00 C ATOM 0 H LEU A 34 -5.548 -15.125 1.618 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.317 -13.840 -0.832 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.716 -16.077 -1.064 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.792 -16.146 0.317 1.00 0.00 H new ATOM 0 HG LEU A 34 -8.534 -14.981 -1.142 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.244 -15.237 -3.574 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.021 -14.151 -2.874 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.583 -15.820 -3.311 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -9.178 -17.091 -2.244 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.554 -17.747 -1.926 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.638 -17.359 -0.569 1.00 0.00 H new ATOM 545 N PRO A 35 -8.339 -13.457 0.505 1.00 0.00 N ATOM 546 CA PRO A 35 -9.538 -12.613 0.513 1.00 0.00 C ATOM 547 C PRO A 35 -9.280 -11.245 1.136 1.00 0.00 C ATOM 548 O PRO A 35 -9.904 -10.254 0.757 1.00 0.00 O ATOM 549 CB PRO A 35 -10.528 -13.411 1.365 1.00 0.00 C ATOM 550 CG PRO A 35 -9.673 -14.254 2.248 1.00 0.00 C ATOM 551 CD PRO A 35 -8.447 -14.586 1.444 1.00 0.00 C ATOM 0 HA PRO A 35 -9.895 -12.403 -0.495 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -11.170 -12.751 1.948 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -11.181 -14.024 0.744 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -9.408 -13.720 3.160 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -10.198 -15.160 2.550 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -7.563 -14.669 2.076 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -8.555 -15.536 0.920 1.00 0.00 H new ATOM 559 N GLU A 36 -8.358 -11.200 2.092 1.00 0.00 N ATOM 560 CA GLU A 36 -8.020 -9.953 2.767 1.00 0.00 C ATOM 561 C GLU A 36 -7.487 -8.924 1.774 1.00 0.00 C ATOM 562 O GLU A 36 -7.944 -7.781 1.744 1.00 0.00 O ATOM 563 CB GLU A 36 -6.982 -10.205 3.863 1.00 0.00 C ATOM 564 CG GLU A 36 -7.520 -11.002 5.039 1.00 0.00 C ATOM 565 CD GLU A 36 -8.768 -10.386 5.639 1.00 0.00 C ATOM 566 OE1 GLU A 36 -8.865 -9.141 5.660 1.00 0.00 O ATOM 567 OE2 GLU A 36 -9.649 -11.149 6.088 1.00 0.00 O ATOM 0 H GLU A 36 -7.832 -12.012 2.416 1.00 0.00 H new ATOM 0 HA GLU A 36 -8.929 -9.558 3.221 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.133 -10.737 3.433 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.608 -9.247 4.225 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.742 -12.018 4.713 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.750 -11.074 5.807 1.00 0.00 H new ATOM 574 N ARG A 37 -6.519 -9.338 0.964 1.00 0.00 N ATOM 575 CA ARG A 37 -5.922 -8.453 -0.029 1.00 0.00 C ATOM 576 C ARG A 37 -6.966 -7.991 -1.042 1.00 0.00 C ATOM 577 O ARG A 37 -7.026 -6.813 -1.393 1.00 0.00 O ATOM 578 CB ARG A 37 -4.774 -9.160 -0.750 1.00 0.00 C ATOM 579 CG ARG A 37 -4.252 -8.399 -1.958 1.00 0.00 C ATOM 580 CD ARG A 37 -3.423 -9.295 -2.865 1.00 0.00 C ATOM 581 NE ARG A 37 -4.090 -10.565 -3.139 1.00 0.00 N ATOM 582 CZ ARG A 37 -3.447 -11.673 -3.488 1.00 0.00 C ATOM 583 NH1 ARG A 37 -2.126 -11.668 -3.603 1.00 0.00 N ATOM 584 NH2 ARG A 37 -4.124 -12.790 -3.721 1.00 0.00 N ATOM 0 H ARG A 37 -6.131 -10.281 0.976 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.531 -7.578 0.490 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.955 -9.315 -0.047 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.110 -10.146 -1.070 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -5.090 -7.987 -2.520 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.646 -7.556 -1.625 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -3.228 -8.778 -3.805 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -2.456 -9.487 -2.400 1.00 0.00 H new ATOM 0 HE ARG A 37 -5.106 -10.603 -3.058 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -1.602 -10.812 -3.423 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -1.634 -12.520 -3.871 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -5.140 -12.798 -3.632 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -3.628 -13.640 -3.989 1.00 0.00 H new ATOM 598 N ALA A 38 -7.785 -8.928 -1.508 1.00 0.00 N ATOM 599 CA ALA A 38 -8.826 -8.617 -2.480 1.00 0.00 C ATOM 600 C ALA A 38 -9.808 -7.591 -1.923 1.00 0.00 C ATOM 601 O ALA A 38 -10.294 -6.726 -2.651 1.00 0.00 O ATOM 602 CB ALA A 38 -9.561 -9.885 -2.890 1.00 0.00 C ATOM 0 H ALA A 38 -7.748 -9.908 -1.228 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.350 -8.185 -3.360 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -10.336 -9.638 -3.616 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.856 -10.586 -3.336 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -10.019 -10.340 -2.012 1.00 0.00 H new ATOM 608 N GLU A 39 -10.095 -7.695 -0.630 1.00 0.00 N ATOM 609 CA GLU A 39 -11.021 -6.776 0.023 1.00 0.00 C ATOM 610 C GLU A 39 -10.645 -5.327 -0.270 1.00 0.00 C ATOM 611 O GLU A 39 -11.508 -4.494 -0.550 1.00 0.00 O ATOM 612 CB GLU A 39 -11.032 -7.016 1.534 1.00 0.00 C ATOM 613 CG GLU A 39 -12.157 -6.294 2.256 1.00 0.00 C ATOM 614 CD GLU A 39 -11.791 -4.871 2.630 1.00 0.00 C ATOM 615 OE1 GLU A 39 -12.026 -3.963 1.805 1.00 0.00 O ATOM 616 OE2 GLU A 39 -11.270 -4.665 3.746 1.00 0.00 O ATOM 0 H GLU A 39 -9.700 -8.406 -0.014 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.019 -6.962 -0.374 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -11.118 -8.086 1.723 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -10.078 -6.694 1.952 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -13.043 -6.282 1.621 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -12.419 -6.847 3.158 1.00 0.00 H new ATOM 623 N LEU A 40 -9.351 -5.032 -0.203 1.00 0.00 N ATOM 624 CA LEU A 40 -8.859 -3.683 -0.460 1.00 0.00 C ATOM 625 C LEU A 40 -9.022 -3.315 -1.932 1.00 0.00 C ATOM 626 O LEU A 40 -9.348 -2.177 -2.265 1.00 0.00 O ATOM 627 CB LEU A 40 -7.389 -3.569 -0.054 1.00 0.00 C ATOM 628 CG LEU A 40 -7.031 -4.113 1.330 1.00 0.00 C ATOM 629 CD1 LEU A 40 -5.703 -3.541 1.802 1.00 0.00 C ATOM 630 CD2 LEU A 40 -8.135 -3.798 2.329 1.00 0.00 C ATOM 0 H LEU A 40 -8.624 -5.709 0.027 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.449 -2.988 0.137 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.786 -4.093 -0.796 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.102 -2.518 -0.095 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.931 -5.196 1.259 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.465 -3.939 2.788 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.917 -3.818 1.099 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.774 -2.455 1.857 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.863 -4.193 3.308 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.267 -2.718 2.397 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.067 -4.257 1.999 1.00 0.00 H new ATOM 642 N ALA A 41 -8.794 -4.288 -2.808 1.00 0.00 N ATOM 643 CA ALA A 41 -8.919 -4.068 -4.243 1.00 0.00 C ATOM 644 C ALA A 41 -10.381 -3.921 -4.651 1.00 0.00 C ATOM 645 O ALA A 41 -10.695 -3.267 -5.644 1.00 0.00 O ATOM 646 CB ALA A 41 -8.267 -5.209 -5.011 1.00 0.00 C ATOM 0 H ALA A 41 -8.522 -5.236 -2.549 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.405 -3.139 -4.489 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -8.368 -5.031 -6.082 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.210 -5.266 -4.751 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -8.755 -6.148 -4.751 1.00 0.00 H new ATOM 652 N ALA A 42 -11.271 -4.535 -3.877 1.00 0.00 N ATOM 653 CA ALA A 42 -12.700 -4.470 -4.157 1.00 0.00 C ATOM 654 C ALA A 42 -13.340 -3.269 -3.471 1.00 0.00 C ATOM 655 O ALA A 42 -14.258 -2.650 -4.011 1.00 0.00 O ATOM 656 CB ALA A 42 -13.382 -5.757 -3.717 1.00 0.00 C ATOM 0 H ALA A 42 -11.027 -5.083 -3.052 1.00 0.00 H new ATOM 0 HA ALA A 42 -12.830 -4.352 -5.233 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -14.449 -5.695 -3.932 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -12.951 -6.600 -4.257 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -13.235 -5.899 -2.646 1.00 0.00 H new ATOM 662 N SER A 43 -12.851 -2.944 -2.279 1.00 0.00 N ATOM 663 CA SER A 43 -13.379 -1.818 -1.517 1.00 0.00 C ATOM 664 C SER A 43 -12.771 -0.504 -1.997 1.00 0.00 C ATOM 665 O SER A 43 -13.487 0.428 -2.364 1.00 0.00 O ATOM 666 CB SER A 43 -13.099 -2.008 -0.025 1.00 0.00 C ATOM 667 OG SER A 43 -14.008 -2.929 0.552 1.00 0.00 O ATOM 0 H SER A 43 -12.090 -3.444 -1.820 1.00 0.00 H new ATOM 0 HA SER A 43 -14.457 -1.778 -1.675 1.00 0.00 H new ATOM 0 HB2 SER A 43 -12.078 -2.364 0.114 1.00 0.00 H new ATOM 0 HB3 SER A 43 -13.174 -1.049 0.487 1.00 0.00 H new ATOM 0 HG SER A 43 -13.510 -3.657 0.978 1.00 0.00 H new ATOM 673 N LEU A 44 -11.444 -0.437 -1.991 1.00 0.00 N ATOM 674 CA LEU A 44 -10.737 0.763 -2.425 1.00 0.00 C ATOM 675 C LEU A 44 -10.868 0.956 -3.933 1.00 0.00 C ATOM 676 O LEU A 44 -10.589 2.034 -4.457 1.00 0.00 O ATOM 677 CB LEU A 44 -9.260 0.677 -2.037 1.00 0.00 C ATOM 678 CG LEU A 44 -8.968 0.335 -0.576 1.00 0.00 C ATOM 679 CD1 LEU A 44 -7.476 0.416 -0.296 1.00 0.00 C ATOM 680 CD2 LEU A 44 -9.738 1.263 0.352 1.00 0.00 C ATOM 0 H LEU A 44 -10.836 -1.199 -1.691 1.00 0.00 H new ATOM 0 HA LEU A 44 -11.188 1.621 -1.926 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.783 -0.073 -2.667 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.789 1.633 -2.267 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.296 -0.688 -0.390 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.288 0.169 0.749 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.947 -0.290 -0.936 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.122 1.427 -0.500 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -9.519 1.006 1.388 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.441 2.295 0.164 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -10.807 1.155 0.170 1.00 0.00 H new ATOM 692 N GLY A 45 -11.297 -0.095 -4.624 1.00 0.00 N ATOM 693 CA GLY A 45 -11.460 -0.020 -6.064 1.00 0.00 C ATOM 694 C GLY A 45 -10.159 -0.251 -6.808 1.00 0.00 C ATOM 695 O GLY A 45 -10.047 0.069 -7.992 1.00 0.00 O ATOM 0 H GLY A 45 -11.535 -0.997 -4.212 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -12.194 -0.761 -6.383 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -11.859 0.959 -6.331 1.00 0.00 H new ATOM 699 N LEU A 46 -9.173 -0.808 -6.113 1.00 0.00 N ATOM 700 CA LEU A 46 -7.872 -1.081 -6.714 1.00 0.00 C ATOM 701 C LEU A 46 -7.760 -2.544 -7.128 1.00 0.00 C ATOM 702 O LEU A 46 -8.695 -3.326 -6.949 1.00 0.00 O ATOM 703 CB LEU A 46 -6.752 -0.729 -5.734 1.00 0.00 C ATOM 704 CG LEU A 46 -6.776 0.692 -5.168 1.00 0.00 C ATOM 705 CD1 LEU A 46 -6.176 0.720 -3.771 1.00 0.00 C ATOM 706 CD2 LEU A 46 -6.032 1.646 -6.090 1.00 0.00 C ATOM 0 H LEU A 46 -9.250 -1.079 -5.133 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.774 -0.462 -7.606 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.792 -1.431 -4.901 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -5.796 -0.883 -6.235 1.00 0.00 H new ATOM 0 HG LEU A 46 -7.814 1.019 -5.102 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.202 1.739 -3.384 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.752 0.068 -3.114 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.143 0.373 -3.811 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.059 2.652 -5.671 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.996 1.322 -6.189 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.507 1.648 -7.071 1.00 0.00 H new ATOM 718 N THR A 47 -6.609 -2.911 -7.682 1.00 0.00 N ATOM 719 CA THR A 47 -6.373 -4.281 -8.120 1.00 0.00 C ATOM 720 C THR A 47 -5.312 -4.959 -7.261 1.00 0.00 C ATOM 721 O THR A 47 -4.463 -4.293 -6.670 1.00 0.00 O ATOM 722 CB THR A 47 -5.932 -4.331 -9.595 1.00 0.00 C ATOM 723 OG1 THR A 47 -5.883 -5.689 -10.046 1.00 0.00 O ATOM 724 CG2 THR A 47 -4.568 -3.681 -9.775 1.00 0.00 C ATOM 0 H THR A 47 -5.825 -2.278 -7.838 1.00 0.00 H new ATOM 0 HA THR A 47 -7.318 -4.814 -8.012 1.00 0.00 H new ATOM 0 HB THR A 47 -6.661 -3.778 -10.188 1.00 0.00 H new ATOM 0 HG1 THR A 47 -5.604 -5.712 -10.985 1.00 0.00 H new ATOM 0 HG21 THR A 47 -4.278 -3.729 -10.825 1.00 0.00 H new ATOM 0 HG22 THR A 47 -4.617 -2.639 -9.459 1.00 0.00 H new ATOM 0 HG23 THR A 47 -3.831 -4.209 -9.171 1.00 0.00 H new ATOM 732 N GLN A 48 -5.366 -6.285 -7.199 1.00 0.00 N ATOM 733 CA GLN A 48 -4.408 -7.052 -6.411 1.00 0.00 C ATOM 734 C GLN A 48 -2.977 -6.656 -6.758 1.00 0.00 C ATOM 735 O GLN A 48 -2.113 -6.576 -5.884 1.00 0.00 O ATOM 736 CB GLN A 48 -4.607 -8.550 -6.646 1.00 0.00 C ATOM 737 CG GLN A 48 -5.934 -9.078 -6.125 1.00 0.00 C ATOM 738 CD GLN A 48 -6.359 -10.363 -6.807 1.00 0.00 C ATOM 739 OE1 GLN A 48 -5.690 -10.846 -7.721 1.00 0.00 O ATOM 740 NE2 GLN A 48 -7.477 -10.926 -6.364 1.00 0.00 N ATOM 0 H GLN A 48 -6.062 -6.851 -7.684 1.00 0.00 H new ATOM 0 HA GLN A 48 -4.581 -6.830 -5.358 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.539 -8.754 -7.715 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -3.795 -9.095 -6.165 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -5.856 -9.250 -5.051 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -6.705 -8.321 -6.272 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -8.000 -10.491 -5.604 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -7.812 -11.793 -6.784 1.00 0.00 H new ATOM 749 N THR A 49 -2.732 -6.408 -8.041 1.00 0.00 N ATOM 750 CA THR A 49 -1.405 -6.022 -8.505 1.00 0.00 C ATOM 751 C THR A 49 -1.005 -4.659 -7.952 1.00 0.00 C ATOM 752 O THR A 49 0.178 -4.323 -7.901 1.00 0.00 O ATOM 753 CB THR A 49 -1.338 -5.979 -10.043 1.00 0.00 C ATOM 754 OG1 THR A 49 -1.918 -7.167 -10.592 1.00 0.00 O ATOM 755 CG2 THR A 49 0.101 -5.845 -10.518 1.00 0.00 C ATOM 0 H THR A 49 -3.435 -6.468 -8.777 1.00 0.00 H new ATOM 0 HA THR A 49 -0.710 -6.778 -8.140 1.00 0.00 H new ATOM 0 HB THR A 49 -1.900 -5.110 -10.385 1.00 0.00 H new ATOM 0 HG1 THR A 49 -1.873 -7.131 -11.570 1.00 0.00 H new ATOM 0 HG21 THR A 49 0.123 -5.817 -11.607 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.531 -4.925 -10.122 1.00 0.00 H new ATOM 0 HG23 THR A 49 0.681 -6.697 -10.165 1.00 0.00 H new ATOM 763 N GLN A 50 -1.998 -3.878 -7.538 1.00 0.00 N ATOM 764 CA GLN A 50 -1.748 -2.551 -6.989 1.00 0.00 C ATOM 765 C GLN A 50 -1.593 -2.610 -5.473 1.00 0.00 C ATOM 766 O GLN A 50 -0.620 -2.099 -4.917 1.00 0.00 O ATOM 767 CB GLN A 50 -2.886 -1.599 -7.361 1.00 0.00 C ATOM 768 CG GLN A 50 -2.765 -1.024 -8.763 1.00 0.00 C ATOM 769 CD GLN A 50 -3.368 0.362 -8.879 1.00 0.00 C ATOM 770 OE1 GLN A 50 -4.585 0.515 -8.985 1.00 0.00 O ATOM 771 NE2 GLN A 50 -2.517 1.381 -8.861 1.00 0.00 N ATOM 0 H GLN A 50 -2.983 -4.142 -7.573 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.818 -2.178 -7.417 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -3.835 -2.129 -7.275 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -2.913 -0.780 -6.642 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -1.713 -0.983 -9.045 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -3.259 -1.691 -9.469 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -1.516 1.208 -8.771 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -2.864 2.337 -8.937 1.00 0.00 H new ATOM 780 N VAL A 51 -2.559 -3.236 -4.808 1.00 0.00 N ATOM 781 CA VAL A 51 -2.530 -3.362 -3.356 1.00 0.00 C ATOM 782 C VAL A 51 -1.356 -4.223 -2.902 1.00 0.00 C ATOM 783 O VAL A 51 -0.905 -4.127 -1.761 1.00 0.00 O ATOM 784 CB VAL A 51 -3.838 -3.973 -2.819 1.00 0.00 C ATOM 785 CG1 VAL A 51 -3.649 -4.473 -1.395 1.00 0.00 C ATOM 786 CG2 VAL A 51 -4.969 -2.958 -2.891 1.00 0.00 C ATOM 0 H VAL A 51 -3.371 -3.664 -5.252 1.00 0.00 H new ATOM 0 HA VAL A 51 -2.416 -2.355 -2.954 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.104 -4.825 -3.445 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.584 -4.901 -1.033 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.870 -5.235 -1.377 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.358 -3.642 -0.753 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -5.885 -3.407 -2.508 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.713 -2.085 -2.290 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -5.120 -2.654 -3.927 1.00 0.00 H new ATOM 796 N LYS A 52 -0.864 -5.065 -3.805 1.00 0.00 N ATOM 797 CA LYS A 52 0.260 -5.943 -3.500 1.00 0.00 C ATOM 798 C LYS A 52 1.561 -5.151 -3.414 1.00 0.00 C ATOM 799 O LYS A 52 2.292 -5.245 -2.428 1.00 0.00 O ATOM 800 CB LYS A 52 0.384 -7.035 -4.565 1.00 0.00 C ATOM 801 CG LYS A 52 -0.431 -8.279 -4.257 1.00 0.00 C ATOM 802 CD LYS A 52 -0.076 -9.423 -5.192 1.00 0.00 C ATOM 803 CE LYS A 52 -0.176 -9.003 -6.651 1.00 0.00 C ATOM 804 NZ LYS A 52 1.112 -8.455 -7.160 1.00 0.00 N ATOM 0 H LYS A 52 -1.226 -5.158 -4.754 1.00 0.00 H new ATOM 0 HA LYS A 52 0.074 -6.408 -2.532 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.066 -6.631 -5.526 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.433 -7.314 -4.667 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.256 -8.583 -3.225 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.493 -8.051 -4.346 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.936 -9.767 -4.980 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.743 -10.265 -5.008 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.470 -9.860 -7.256 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.959 -8.252 -6.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.299 -8.833 -8.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.054 -7.418 -7.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.884 -8.731 -6.520 1.00 0.00 H new ATOM 818 N ILE A 53 1.843 -4.371 -4.452 1.00 0.00 N ATOM 819 CA ILE A 53 3.055 -3.562 -4.492 1.00 0.00 C ATOM 820 C ILE A 53 3.051 -2.511 -3.387 1.00 0.00 C ATOM 821 O ILE A 53 4.081 -2.244 -2.768 1.00 0.00 O ATOM 822 CB ILE A 53 3.218 -2.859 -5.853 1.00 0.00 C ATOM 823 CG1 ILE A 53 3.203 -3.886 -6.987 1.00 0.00 C ATOM 824 CG2 ILE A 53 4.507 -2.051 -5.880 1.00 0.00 C ATOM 825 CD1 ILE A 53 2.982 -3.275 -8.353 1.00 0.00 C ATOM 0 H ILE A 53 1.249 -4.282 -5.276 1.00 0.00 H new ATOM 0 HA ILE A 53 3.893 -4.242 -4.341 1.00 0.00 H new ATOM 0 HB ILE A 53 2.381 -2.176 -5.996 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.149 -4.427 -6.989 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.418 -4.617 -6.794 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.608 -1.560 -6.848 1.00 0.00 H new ATOM 0 HG22 ILE A 53 4.481 -1.298 -5.092 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.356 -2.715 -5.719 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.983 -4.061 -9.108 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.023 -2.758 -8.369 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.781 -2.565 -8.567 1.00 0.00 H new ATOM 837 N TRP A 54 1.886 -1.921 -3.144 1.00 0.00 N ATOM 838 CA TRP A 54 1.748 -0.901 -2.111 1.00 0.00 C ATOM 839 C TRP A 54 2.187 -1.437 -0.753 1.00 0.00 C ATOM 840 O TRP A 54 2.916 -0.771 -0.019 1.00 0.00 O ATOM 841 CB TRP A 54 0.299 -0.414 -2.037 1.00 0.00 C ATOM 842 CG TRP A 54 0.114 0.764 -1.130 1.00 0.00 C ATOM 843 CD1 TRP A 54 0.131 2.083 -1.486 1.00 0.00 C ATOM 844 CD2 TRP A 54 -0.114 0.731 0.283 1.00 0.00 C ATOM 845 NE1 TRP A 54 -0.073 2.871 -0.379 1.00 0.00 N ATOM 846 CE2 TRP A 54 -0.226 2.066 0.718 1.00 0.00 C ATOM 847 CE3 TRP A 54 -0.236 -0.297 1.222 1.00 0.00 C ATOM 848 CZ2 TRP A 54 -0.454 2.397 2.051 1.00 0.00 C ATOM 849 CZ3 TRP A 54 -0.461 0.034 2.545 1.00 0.00 C ATOM 850 CH2 TRP A 54 -0.569 1.371 2.950 1.00 0.00 C ATOM 0 H TRP A 54 1.024 -2.131 -3.648 1.00 0.00 H new ATOM 0 HA TRP A 54 2.393 -0.063 -2.375 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.039 -0.149 -3.039 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.334 -1.232 -1.693 1.00 0.00 H new ATOM 0 HD1 TRP A 54 0.282 2.452 -2.490 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -0.105 3.890 -0.375 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.156 -1.331 0.920 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.537 3.427 2.365 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.555 -0.752 3.280 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.746 1.596 3.991 1.00 0.00 H new ATOM 861 N PHE A 55 1.738 -2.644 -0.426 1.00 0.00 N ATOM 862 CA PHE A 55 2.085 -3.269 0.845 1.00 0.00 C ATOM 863 C PHE A 55 3.552 -3.690 0.862 1.00 0.00 C ATOM 864 O PHE A 55 4.229 -3.573 1.883 1.00 0.00 O ATOM 865 CB PHE A 55 1.192 -4.485 1.100 1.00 0.00 C ATOM 866 CG PHE A 55 -0.064 -4.158 1.857 1.00 0.00 C ATOM 867 CD1 PHE A 55 -1.098 -3.468 1.244 1.00 0.00 C ATOM 868 CD2 PHE A 55 -0.211 -4.540 3.181 1.00 0.00 C ATOM 869 CE1 PHE A 55 -2.254 -3.165 1.938 1.00 0.00 C ATOM 870 CE2 PHE A 55 -1.365 -4.240 3.880 1.00 0.00 C ATOM 871 CZ PHE A 55 -2.388 -3.553 3.257 1.00 0.00 C ATOM 0 H PHE A 55 1.134 -3.209 -1.023 1.00 0.00 H new ATOM 0 HA PHE A 55 1.926 -2.537 1.636 1.00 0.00 H new ATOM 0 HB2 PHE A 55 0.924 -4.936 0.144 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.758 -5.231 1.657 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.999 -3.164 0.212 1.00 0.00 H new ATOM 0 HD2 PHE A 55 0.586 -5.079 3.673 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -3.052 -2.625 1.450 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -1.466 -4.542 4.912 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.292 -3.319 3.800 1.00 0.00 H new ATOM 881 N GLN A 56 4.034 -4.180 -0.275 1.00 0.00 N ATOM 882 CA GLN A 56 5.420 -4.619 -0.391 1.00 0.00 C ATOM 883 C GLN A 56 6.381 -3.475 -0.083 1.00 0.00 C ATOM 884 O GLN A 56 7.239 -3.590 0.790 1.00 0.00 O ATOM 885 CB GLN A 56 5.689 -5.163 -1.795 1.00 0.00 C ATOM 886 CG GLN A 56 7.140 -5.552 -2.028 1.00 0.00 C ATOM 887 CD GLN A 56 7.556 -6.767 -1.222 1.00 0.00 C ATOM 888 OE1 GLN A 56 7.744 -7.854 -1.768 1.00 0.00 O ATOM 889 NE2 GLN A 56 7.701 -6.589 0.086 1.00 0.00 N ATOM 0 H GLN A 56 3.486 -4.283 -1.129 1.00 0.00 H new ATOM 0 HA GLN A 56 5.585 -5.414 0.337 1.00 0.00 H new ATOM 0 HB2 GLN A 56 5.056 -6.034 -1.966 1.00 0.00 H new ATOM 0 HB3 GLN A 56 5.401 -4.410 -2.529 1.00 0.00 H new ATOM 0 HG2 GLN A 56 7.292 -5.755 -3.088 1.00 0.00 H new ATOM 0 HG3 GLN A 56 7.784 -4.711 -1.769 1.00 0.00 H new ATOM 0 HE21 GLN A 56 7.535 -5.670 0.497 1.00 0.00 H new ATOM 0 HE22 GLN A 56 7.978 -7.371 0.679 1.00 0.00 H new ATOM 898 N ASN A 57 6.230 -2.371 -0.808 1.00 0.00 N ATOM 899 CA ASN A 57 7.086 -1.206 -0.613 1.00 0.00 C ATOM 900 C ASN A 57 7.031 -0.727 0.834 1.00 0.00 C ATOM 901 O ASN A 57 8.064 -0.548 1.480 1.00 0.00 O ATOM 902 CB ASN A 57 6.663 -0.074 -1.553 1.00 0.00 C ATOM 903 CG ASN A 57 6.913 -0.410 -3.010 1.00 0.00 C ATOM 904 OD1 ASN A 57 7.599 -1.382 -3.327 1.00 0.00 O ATOM 905 ND2 ASN A 57 6.356 0.397 -3.907 1.00 0.00 N ATOM 0 H ASN A 57 5.524 -2.259 -1.535 1.00 0.00 H new ATOM 0 HA ASN A 57 8.111 -1.497 -0.842 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.604 0.138 -1.408 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.208 0.833 -1.293 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.490 0.222 -4.903 1.00 0.00 H new ATOM 0 HD22 ASN A 57 5.795 1.191 -3.599 1.00 0.00 H new ATOM 912 N LYS A 58 5.819 -0.521 1.339 1.00 0.00 N ATOM 913 CA LYS A 58 5.628 -0.065 2.710 1.00 0.00 C ATOM 914 C LYS A 58 6.498 -0.864 3.675 1.00 0.00 C ATOM 915 O LYS A 58 7.216 -0.292 4.496 1.00 0.00 O ATOM 916 CB LYS A 58 4.156 -0.191 3.111 1.00 0.00 C ATOM 917 CG LYS A 58 3.712 0.845 4.129 1.00 0.00 C ATOM 918 CD LYS A 58 3.653 2.236 3.520 1.00 0.00 C ATOM 919 CE LYS A 58 2.702 2.285 2.333 1.00 0.00 C ATOM 920 NZ LYS A 58 2.428 3.682 1.899 1.00 0.00 N ATOM 0 H LYS A 58 4.954 -0.663 0.818 1.00 0.00 H new ATOM 0 HA LYS A 58 5.925 0.983 2.763 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.536 -0.100 2.219 1.00 0.00 H new ATOM 0 HB3 LYS A 58 3.983 -1.187 3.519 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.730 0.576 4.519 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.401 0.845 4.973 1.00 0.00 H new ATOM 0 HD2 LYS A 58 3.330 2.952 4.276 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.651 2.537 3.201 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.129 1.724 1.502 1.00 0.00 H new ATOM 0 HE3 LYS A 58 1.764 1.797 2.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.427 3.773 1.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 2.639 4.336 2.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 3.026 3.915 1.081 1.00 0.00 H new ATOM 934 N ARG A 59 6.430 -2.187 3.570 1.00 0.00 N ATOM 935 CA ARG A 59 7.213 -3.063 4.434 1.00 0.00 C ATOM 936 C ARG A 59 8.706 -2.801 4.264 1.00 0.00 C ATOM 937 O ARG A 59 9.500 -3.067 5.167 1.00 0.00 O ATOM 938 CB ARG A 59 6.902 -4.529 4.124 1.00 0.00 C ATOM 939 CG ARG A 59 5.681 -5.060 4.856 1.00 0.00 C ATOM 940 CD ARG A 59 5.509 -6.556 4.639 1.00 0.00 C ATOM 941 NE ARG A 59 6.667 -7.313 5.104 1.00 0.00 N ATOM 942 CZ ARG A 59 7.750 -7.529 4.365 1.00 0.00 C ATOM 943 NH1 ARG A 59 7.821 -7.045 3.132 1.00 0.00 N ATOM 944 NH2 ARG A 59 8.763 -8.228 4.858 1.00 0.00 N ATOM 0 H ARG A 59 5.841 -2.676 2.896 1.00 0.00 H new ATOM 0 HA ARG A 59 6.941 -2.851 5.468 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.748 -4.640 3.051 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.766 -5.139 4.387 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.776 -4.854 5.922 1.00 0.00 H new ATOM 0 HG3 ARG A 59 4.791 -4.536 4.509 1.00 0.00 H new ATOM 0 HD2 ARG A 59 4.617 -6.898 5.164 1.00 0.00 H new ATOM 0 HD3 ARG A 59 5.349 -6.753 3.579 1.00 0.00 H new ATOM 0 HE ARG A 59 6.644 -7.697 6.048 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.044 -6.506 2.750 1.00 0.00 H new ATOM 0 HH12 ARG A 59 8.653 -7.212 2.566 1.00 0.00 H new ATOM 0 HH21 ARG A 59 8.712 -8.601 5.806 1.00 0.00 H new ATOM 0 HH22 ARG A 59 9.594 -8.393 4.289 1.00 0.00 H new