USER MOD reduce.3.24.130724 H: found=0, std=0, add=396, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 397 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 SER OG : rot 180:sc= 0.341 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-2.5!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.113 K(o=-0.11,f=-3.1!) USER MOD Single : A 26 ASN : amide:sc=-0.00307 X(o=-0.0031,f=-0.055) USER MOD Single : A 28 TYR OH : rot 180:sc=-0.00476 USER MOD Single : A 30 THR OG1 : rot -120:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -1.67! C(o=-1.7!,f=-2!) USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 38 SER OG : rot 66:sc= 1.31 USER MOD Single : A 39 SER OG : rot 78:sc= 1.1 USER MOD Single : A 44 ASN : amide:sc= -0.306 K(o=-0.31,f=-8.5!) USER MOD Single : A 47 GLN : amide:sc= -0.0553 X(o=-0.055,f=-0.0077) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.0669 K(o=-0.067,f=-0.74) USER MOD Single : A 54 ASN : amide:sc= -1.94 K(o=-1.9,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 160 N PHE A 11 -6.291 -8.784 -5.540 1.00 0.00 N ATOM 161 CA PHE A 11 -5.519 -7.788 -6.243 1.00 0.00 C ATOM 162 C PHE A 11 -4.735 -8.367 -7.414 1.00 0.00 C ATOM 163 O PHE A 11 -4.470 -9.557 -7.514 1.00 0.00 O ATOM 164 CB PHE A 11 -4.507 -7.214 -5.178 1.00 0.00 C ATOM 165 CG PHE A 11 -4.916 -6.089 -4.195 1.00 0.00 C ATOM 166 CD1 PHE A 11 -5.870 -6.382 -3.176 1.00 0.00 C ATOM 167 CD2 PHE A 11 -4.273 -4.858 -4.173 1.00 0.00 C ATOM 168 CE1 PHE A 11 -6.215 -5.446 -2.188 1.00 0.00 C ATOM 169 CE2 PHE A 11 -4.460 -4.051 -3.061 1.00 0.00 C ATOM 170 CZ PHE A 11 -5.476 -4.250 -2.114 1.00 0.00 C ATOM 0 HA PHE A 11 -6.183 -7.033 -6.664 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -4.172 -8.057 -4.573 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -3.639 -6.853 -5.729 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -6.341 -7.354 -3.164 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -3.648 -4.540 -4.995 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -7.027 -5.639 -1.502 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -3.784 -3.221 -2.915 1.00 0.00 H new ATOM 0 HZ PHE A 11 -5.684 -3.511 -1.354 1.00 0.00 H new ATOM 180 N SER A 12 -4.191 -7.528 -8.295 1.00 0.00 N ATOM 181 CA SER A 12 -3.549 -7.844 -9.627 1.00 0.00 C ATOM 182 C SER A 12 -1.958 -7.858 -9.531 1.00 0.00 C ATOM 183 O SER A 12 -1.337 -7.238 -8.547 1.00 0.00 O ATOM 184 CB SER A 12 -4.016 -7.031 -10.848 1.00 0.00 C ATOM 185 OG SER A 12 -3.227 -5.875 -11.033 1.00 0.00 O ATOM 0 H SER A 12 -4.172 -6.526 -8.108 1.00 0.00 H new ATOM 0 HA SER A 12 -3.921 -8.848 -9.831 1.00 0.00 H new ATOM 0 HB2 SER A 12 -3.966 -7.653 -11.741 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.059 -6.744 -10.718 1.00 0.00 H new ATOM 0 HG SER A 12 -3.548 -5.382 -11.817 1.00 0.00 H new ATOM 191 N SER A 13 -1.268 -8.475 -10.483 1.00 0.00 N ATOM 192 CA SER A 13 0.230 -8.419 -10.499 1.00 0.00 C ATOM 193 C SER A 13 0.634 -7.016 -10.917 1.00 0.00 C ATOM 194 O SER A 13 1.562 -6.453 -10.316 1.00 0.00 O ATOM 195 CB SER A 13 0.870 -9.415 -11.476 1.00 0.00 C ATOM 196 OG SER A 13 0.553 -10.850 -11.311 1.00 0.00 O ATOM 0 H SER A 13 -1.686 -9.011 -11.244 1.00 0.00 H new ATOM 0 HA SER A 13 0.580 -8.682 -9.501 1.00 0.00 H new ATOM 0 HB2 SER A 13 0.583 -9.123 -12.486 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.952 -9.302 -11.407 1.00 0.00 H new ATOM 0 HG SER A 13 1.023 -11.370 -11.996 1.00 0.00 H new ATOM 202 N GLU A 14 -0.048 -6.312 -11.818 1.00 0.00 N ATOM 203 CA GLU A 14 0.218 -4.906 -12.169 1.00 0.00 C ATOM 204 C GLU A 14 0.112 -4.013 -10.963 1.00 0.00 C ATOM 205 O GLU A 14 0.800 -3.010 -10.843 1.00 0.00 O ATOM 206 CB GLU A 14 -0.739 -4.441 -13.413 1.00 0.00 C ATOM 207 CG GLU A 14 -0.276 -3.140 -14.170 1.00 0.00 C ATOM 208 CD GLU A 14 1.203 -2.996 -14.547 1.00 0.00 C ATOM 209 OE1 GLU A 14 1.692 -1.892 -14.242 1.00 0.00 O ATOM 210 OE2 GLU A 14 1.743 -3.882 -15.251 1.00 0.00 O ATOM 0 H GLU A 14 -0.826 -6.710 -12.344 1.00 0.00 H new ATOM 0 HA GLU A 14 1.248 -4.812 -12.514 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.795 -5.259 -14.132 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -1.748 -4.281 -13.033 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.860 -3.066 -15.087 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.544 -2.284 -13.551 1.00 0.00 H new ATOM 217 N GLN A 15 -0.893 -4.233 -10.101 1.00 0.00 N ATOM 218 CA GLN A 15 -1.160 -3.372 -8.925 1.00 0.00 C ATOM 219 C GLN A 15 -0.295 -3.678 -7.673 1.00 0.00 C ATOM 220 O GLN A 15 0.138 -2.801 -6.938 1.00 0.00 O ATOM 221 CB GLN A 15 -2.649 -3.542 -8.501 1.00 0.00 C ATOM 222 CG GLN A 15 -3.758 -2.884 -9.365 1.00 0.00 C ATOM 223 CD GLN A 15 -5.172 -3.361 -9.088 1.00 0.00 C ATOM 224 OE1 GLN A 15 -5.410 -4.533 -8.643 1.00 0.00 O ATOM 225 NE2 GLN A 15 -6.196 -2.533 -9.317 1.00 0.00 N ATOM 0 H GLN A 15 -1.546 -5.011 -10.194 1.00 0.00 H new ATOM 0 HA GLN A 15 -0.911 -2.362 -9.250 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -2.858 -4.611 -8.456 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -2.749 -3.154 -7.487 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -3.721 -1.805 -9.213 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -3.531 -3.066 -10.416 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -6.022 -1.593 -9.673 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -7.151 -2.841 -9.136 1.00 0.00 H new ATOM 234 N LEU A 16 0.072 -4.978 -7.424 1.00 0.00 N ATOM 235 CA LEU A 16 1.069 -5.304 -6.355 1.00 0.00 C ATOM 236 C LEU A 16 2.516 -4.901 -6.757 1.00 0.00 C ATOM 237 O LEU A 16 3.345 -4.632 -5.871 1.00 0.00 O ATOM 238 CB LEU A 16 1.061 -6.803 -6.084 1.00 0.00 C ATOM 239 CG LEU A 16 -0.198 -7.531 -5.423 1.00 0.00 C ATOM 240 CD1 LEU A 16 -0.052 -9.042 -5.424 1.00 0.00 C ATOM 241 CD2 LEU A 16 -0.591 -7.179 -3.981 1.00 0.00 C ATOM 0 H LEU A 16 -0.293 -5.786 -7.929 1.00 0.00 H new ATOM 0 HA LEU A 16 0.780 -4.739 -5.469 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.246 -7.297 -7.038 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.918 -7.013 -5.444 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.980 -7.145 -6.076 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.932 -9.493 -4.965 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.044 -9.398 -6.450 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.836 -9.322 -4.858 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.464 -7.762 -3.689 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.238 -7.408 -3.312 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.826 -6.117 -3.917 1.00 0.00 H new ATOM 253 N ALA A 17 2.794 -4.847 -8.097 1.00 0.00 N ATOM 254 CA ALA A 17 4.114 -4.456 -8.538 1.00 0.00 C ATOM 255 C ALA A 17 4.555 -3.105 -7.893 1.00 0.00 C ATOM 256 O ALA A 17 5.529 -3.107 -7.191 1.00 0.00 O ATOM 257 CB ALA A 17 4.172 -4.448 -10.123 1.00 0.00 C ATOM 0 H ALA A 17 2.131 -5.065 -8.841 1.00 0.00 H new ATOM 0 HA ALA A 17 4.841 -5.191 -8.194 1.00 0.00 H new ATOM 0 HB1 ALA A 17 5.169 -4.153 -10.449 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.948 -5.446 -10.500 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.439 -3.740 -10.510 1.00 0.00 H new ATOM 263 N ARG A 18 3.779 -1.974 -7.965 1.00 0.00 N ATOM 264 CA ARG A 18 4.132 -0.664 -7.307 1.00 0.00 C ATOM 265 C ARG A 18 3.969 -0.594 -5.799 1.00 0.00 C ATOM 266 O ARG A 18 4.715 0.142 -5.091 1.00 0.00 O ATOM 267 CB ARG A 18 3.377 0.484 -8.017 1.00 0.00 C ATOM 268 CG ARG A 18 4.165 1.250 -9.141 1.00 0.00 C ATOM 269 CD ARG A 18 5.422 2.076 -8.781 1.00 0.00 C ATOM 270 NE ARG A 18 5.074 3.256 -7.937 1.00 0.00 N ATOM 271 CZ ARG A 18 4.686 4.441 -8.457 1.00 0.00 C ATOM 272 NH1 ARG A 18 4.522 4.573 -9.750 1.00 0.00 N ATOM 273 NH2 ARG A 18 4.487 5.419 -7.615 1.00 0.00 N ATOM 0 H ARG A 18 2.897 -1.943 -8.477 1.00 0.00 H new ATOM 0 HA ARG A 18 5.210 -0.560 -7.434 1.00 0.00 H new ATOM 0 HB2 ARG A 18 2.468 0.074 -8.456 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.068 1.208 -7.263 1.00 0.00 H new ATOM 0 HG2 ARG A 18 4.464 0.513 -9.886 1.00 0.00 H new ATOM 0 HG3 ARG A 18 3.461 1.926 -9.626 1.00 0.00 H new ATOM 0 HD2 ARG A 18 6.135 1.445 -8.250 1.00 0.00 H new ATOM 0 HD3 ARG A 18 5.912 2.412 -9.695 1.00 0.00 H new ATOM 0 HE ARG A 18 5.132 3.164 -6.923 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.687 3.779 -10.369 1.00 0.00 H new ATOM 0 HH12 ARG A 18 4.229 5.470 -10.138 1.00 0.00 H new ATOM 0 HH21 ARG A 18 4.625 5.268 -6.616 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.193 6.334 -7.956 1.00 0.00 H new ATOM 287 N LEU A 19 3.009 -1.323 -5.236 1.00 0.00 N ATOM 288 CA LEU A 19 2.889 -1.557 -3.796 1.00 0.00 C ATOM 289 C LEU A 19 4.088 -2.212 -3.140 1.00 0.00 C ATOM 290 O LEU A 19 4.517 -1.778 -2.103 1.00 0.00 O ATOM 291 CB LEU A 19 1.589 -2.386 -3.565 1.00 0.00 C ATOM 292 CG LEU A 19 0.215 -1.701 -3.666 1.00 0.00 C ATOM 293 CD1 LEU A 19 -0.936 -2.635 -3.440 1.00 0.00 C ATOM 294 CD2 LEU A 19 0.100 -0.657 -2.545 1.00 0.00 C ATOM 0 H LEU A 19 2.275 -1.779 -5.779 1.00 0.00 H new ATOM 0 HA LEU A 19 2.841 -0.583 -3.308 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.596 -3.207 -4.282 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.659 -2.829 -2.572 1.00 0.00 H new ATOM 0 HG LEU A 19 0.161 -1.287 -4.673 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.873 -2.085 -3.526 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.912 -3.429 -4.186 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.861 -3.070 -2.444 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.870 -0.164 -2.605 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.197 -1.150 -1.578 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.891 0.084 -2.656 1.00 0.00 H new ATOM 306 N LYS A 20 4.723 -3.200 -3.731 1.00 0.00 N ATOM 307 CA LYS A 20 5.976 -3.841 -3.196 1.00 0.00 C ATOM 308 C LYS A 20 7.115 -2.783 -2.921 1.00 0.00 C ATOM 309 O LYS A 20 7.802 -2.837 -1.928 1.00 0.00 O ATOM 310 CB LYS A 20 6.556 -4.861 -4.209 1.00 0.00 C ATOM 311 CG LYS A 20 5.744 -6.173 -4.401 1.00 0.00 C ATOM 312 CD LYS A 20 5.968 -7.140 -3.236 1.00 0.00 C ATOM 313 CE LYS A 20 5.540 -8.688 -3.383 1.00 0.00 C ATOM 314 NZ LYS A 20 6.245 -9.370 -4.472 1.00 0.00 N ATOM 0 H LYS A 20 4.406 -3.610 -4.610 1.00 0.00 H new ATOM 0 HA LYS A 20 5.683 -4.329 -2.266 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.646 -4.369 -5.177 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.564 -5.125 -3.890 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.683 -5.938 -4.483 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.037 -6.652 -5.335 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.031 -7.118 -2.996 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.438 -6.737 -2.373 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.740 -9.206 -2.445 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.466 -8.748 -3.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.932 -10.361 -4.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.034 -8.895 -5.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.269 -9.339 -4.295 1.00 0.00 H new ATOM 328 N ARG A 21 7.282 -1.755 -3.750 1.00 0.00 N ATOM 329 CA ARG A 21 8.354 -0.683 -3.784 1.00 0.00 C ATOM 330 C ARG A 21 8.210 0.498 -2.677 1.00 0.00 C ATOM 331 O ARG A 21 9.060 1.337 -2.378 1.00 0.00 O ATOM 332 CB ARG A 21 8.258 0.049 -5.096 1.00 0.00 C ATOM 333 CG ARG A 21 8.186 -0.767 -6.405 1.00 0.00 C ATOM 334 CD ARG A 21 9.187 -0.470 -7.517 1.00 0.00 C ATOM 335 NE ARG A 21 8.924 -1.520 -8.584 1.00 0.00 N ATOM 336 CZ ARG A 21 8.623 -1.321 -9.831 1.00 0.00 C ATOM 337 NH1 ARG A 21 8.719 -0.130 -10.364 1.00 0.00 N ATOM 338 NH2 ARG A 21 8.037 -2.199 -10.518 1.00 0.00 N ATOM 0 H ARG A 21 6.614 -1.609 -4.507 1.00 0.00 H new ATOM 0 HA ARG A 21 9.280 -1.228 -3.603 1.00 0.00 H new ATOM 0 HB2 ARG A 21 7.373 0.684 -5.055 1.00 0.00 H new ATOM 0 HB3 ARG A 21 9.121 0.711 -5.168 1.00 0.00 H new ATOM 0 HG2 ARG A 21 8.288 -1.820 -6.143 1.00 0.00 H new ATOM 0 HG3 ARG A 21 7.186 -0.638 -6.819 1.00 0.00 H new ATOM 0 HD2 ARG A 21 9.048 0.536 -7.913 1.00 0.00 H new ATOM 0 HD3 ARG A 21 10.212 -0.530 -7.150 1.00 0.00 H new ATOM 0 HE ARG A 21 8.992 -2.493 -8.286 1.00 0.00 H new ATOM 0 HH11 ARG A 21 9.034 0.658 -9.798 1.00 0.00 H new ATOM 0 HH12 ARG A 21 8.479 0.010 -11.345 1.00 0.00 H new ATOM 0 HH21 ARG A 21 7.787 -3.093 -10.096 1.00 0.00 H new ATOM 0 HH22 ARG A 21 7.813 -2.016 -11.496 1.00 0.00 H new ATOM 352 N GLU A 22 6.965 0.532 -2.159 1.00 0.00 N ATOM 353 CA GLU A 22 6.656 1.400 -1.056 1.00 0.00 C ATOM 354 C GLU A 22 6.711 0.586 0.285 1.00 0.00 C ATOM 355 O GLU A 22 7.417 0.975 1.223 1.00 0.00 O ATOM 356 CB GLU A 22 5.330 2.135 -1.329 1.00 0.00 C ATOM 357 CG GLU A 22 5.294 3.303 -2.427 1.00 0.00 C ATOM 358 CD GLU A 22 6.218 4.473 -2.218 1.00 0.00 C ATOM 359 OE1 GLU A 22 6.481 4.796 -1.033 1.00 0.00 O ATOM 360 OE2 GLU A 22 6.798 4.973 -3.232 1.00 0.00 O ATOM 0 H GLU A 22 6.183 -0.030 -2.496 1.00 0.00 H new ATOM 0 HA GLU A 22 7.401 2.188 -0.946 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.594 1.386 -1.623 1.00 0.00 H new ATOM 0 HB3 GLU A 22 4.991 2.562 -0.385 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.522 2.862 -3.397 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.274 3.684 -2.482 1.00 0.00 H new ATOM 367 N PHE A 23 6.248 -0.667 0.324 1.00 0.00 N ATOM 368 CA PHE A 23 6.364 -1.587 1.482 1.00 0.00 C ATOM 369 C PHE A 23 7.847 -1.875 1.825 1.00 0.00 C ATOM 370 O PHE A 23 8.236 -1.916 2.966 1.00 0.00 O ATOM 371 CB PHE A 23 5.559 -2.860 1.255 1.00 0.00 C ATOM 372 CG PHE A 23 5.528 -3.700 2.488 1.00 0.00 C ATOM 373 CD1 PHE A 23 6.535 -4.721 2.717 1.00 0.00 C ATOM 374 CD2 PHE A 23 4.770 -3.349 3.534 1.00 0.00 C ATOM 375 CE1 PHE A 23 6.628 -5.401 3.937 1.00 0.00 C ATOM 376 CE2 PHE A 23 4.795 -4.056 4.765 1.00 0.00 C ATOM 377 CZ PHE A 23 5.765 -5.060 4.946 1.00 0.00 C ATOM 0 H PHE A 23 5.766 -1.091 -0.469 1.00 0.00 H new ATOM 0 HA PHE A 23 5.933 -1.093 2.353 1.00 0.00 H new ATOM 0 HB2 PHE A 23 4.542 -2.603 0.960 1.00 0.00 H new ATOM 0 HB3 PHE A 23 5.995 -3.429 0.434 1.00 0.00 H new ATOM 0 HD1 PHE A 23 7.230 -4.962 1.926 1.00 0.00 H new ATOM 0 HD2 PHE A 23 4.115 -2.496 3.438 1.00 0.00 H new ATOM 0 HE1 PHE A 23 7.364 -6.178 4.080 1.00 0.00 H new ATOM 0 HE2 PHE A 23 4.085 -3.828 5.546 1.00 0.00 H new ATOM 0 HZ PHE A 23 5.830 -5.570 5.896 1.00 0.00 H new ATOM 387 N ASN A 24 8.704 -2.117 0.833 1.00 0.00 N ATOM 388 CA ASN A 24 10.162 -2.275 0.986 1.00 0.00 C ATOM 389 C ASN A 24 10.937 -1.052 1.533 1.00 0.00 C ATOM 390 O ASN A 24 11.996 -1.245 2.112 1.00 0.00 O ATOM 391 CB ASN A 24 10.786 -2.955 -0.285 1.00 0.00 C ATOM 392 CG ASN A 24 10.924 -2.198 -1.531 1.00 0.00 C ATOM 393 OD1 ASN A 24 10.830 -0.971 -1.468 1.00 0.00 O ATOM 394 ND2 ASN A 24 11.391 -2.714 -2.651 1.00 0.00 N ATOM 0 H ASN A 24 8.398 -2.213 -0.135 1.00 0.00 H new ATOM 0 HA ASN A 24 10.297 -2.966 1.818 1.00 0.00 H new ATOM 0 HB2 ASN A 24 11.780 -3.307 -0.009 1.00 0.00 H new ATOM 0 HB3 ASN A 24 10.186 -3.837 -0.507 1.00 0.00 H new ATOM 0 HD21 ASN A 24 11.658 -2.102 -3.422 1.00 0.00 H new ATOM 0 HD22 ASN A 24 11.485 -3.725 -2.746 1.00 0.00 H new ATOM 401 N GLU A 25 10.371 0.177 1.374 1.00 0.00 N ATOM 402 CA GLU A 25 10.983 1.420 1.839 1.00 0.00 C ATOM 403 C GLU A 25 10.462 1.980 3.194 1.00 0.00 C ATOM 404 O GLU A 25 11.295 2.307 4.084 1.00 0.00 O ATOM 405 CB GLU A 25 10.644 2.496 0.782 1.00 0.00 C ATOM 406 CG GLU A 25 11.510 3.783 1.066 1.00 0.00 C ATOM 407 CD GLU A 25 12.997 3.705 0.764 1.00 0.00 C ATOM 408 OE1 GLU A 25 13.740 4.428 1.459 1.00 0.00 O ATOM 409 OE2 GLU A 25 13.342 3.004 -0.164 1.00 0.00 O ATOM 0 H GLU A 25 9.471 0.316 0.914 1.00 0.00 H new ATOM 0 HA GLU A 25 12.040 1.197 1.981 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.848 2.118 -0.220 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.582 2.740 0.820 1.00 0.00 H new ATOM 0 HG2 GLU A 25 11.091 4.606 0.486 1.00 0.00 H new ATOM 0 HG3 GLU A 25 11.393 4.042 2.118 1.00 0.00 H new ATOM 416 N ASN A 26 9.144 1.934 3.491 1.00 0.00 N ATOM 417 CA ASN A 26 8.522 2.117 4.797 1.00 0.00 C ATOM 418 C ASN A 26 7.485 1.091 5.031 1.00 0.00 C ATOM 419 O ASN A 26 6.675 0.930 4.102 1.00 0.00 O ATOM 420 CB ASN A 26 8.034 3.534 4.968 1.00 0.00 C ATOM 421 CG ASN A 26 9.188 4.530 5.153 1.00 0.00 C ATOM 422 OD1 ASN A 26 10.007 4.427 6.047 1.00 0.00 O ATOM 423 ND2 ASN A 26 9.336 5.402 4.167 1.00 0.00 N ATOM 0 H ASN A 26 8.449 1.755 2.766 1.00 0.00 H new ATOM 0 HA ASN A 26 9.270 1.968 5.576 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.446 3.821 4.096 1.00 0.00 H new ATOM 0 HB3 ASN A 26 7.371 3.586 5.831 1.00 0.00 H new ATOM 0 HD21 ASN A 26 10.154 6.011 4.143 1.00 0.00 H new ATOM 0 HD22 ASN A 26 8.632 5.465 3.432 1.00 0.00 H new ATOM 430 N ARG A 27 7.353 0.456 6.184 1.00 0.00 N ATOM 431 CA ARG A 27 6.388 -0.643 6.457 1.00 0.00 C ATOM 432 C ARG A 27 4.971 -0.110 6.842 1.00 0.00 C ATOM 433 O ARG A 27 4.118 -0.976 7.098 1.00 0.00 O ATOM 434 CB ARG A 27 7.039 -1.715 7.358 1.00 0.00 C ATOM 435 CG ARG A 27 8.274 -2.396 6.748 1.00 0.00 C ATOM 436 CD ARG A 27 9.049 -3.317 7.740 1.00 0.00 C ATOM 437 NE ARG A 27 10.362 -3.788 7.236 1.00 0.00 N ATOM 438 CZ ARG A 27 11.347 -4.366 7.985 1.00 0.00 C ATOM 439 NH1 ARG A 27 11.253 -4.540 9.305 1.00 0.00 N ATOM 440 NH2 ARG A 27 12.502 -4.639 7.551 1.00 0.00 N ATOM 0 H ARG A 27 7.926 0.685 6.996 1.00 0.00 H new ATOM 0 HA ARG A 27 6.157 -1.189 5.542 1.00 0.00 H new ATOM 0 HB2 ARG A 27 7.324 -1.253 8.303 1.00 0.00 H new ATOM 0 HB3 ARG A 27 6.296 -2.478 7.588 1.00 0.00 H new ATOM 0 HG2 ARG A 27 7.961 -2.988 5.888 1.00 0.00 H new ATOM 0 HG3 ARG A 27 8.953 -1.628 6.376 1.00 0.00 H new ATOM 0 HD2 ARG A 27 9.204 -2.777 8.674 1.00 0.00 H new ATOM 0 HD3 ARG A 27 8.430 -4.184 7.972 1.00 0.00 H new ATOM 0 HE ARG A 27 10.546 -3.670 6.240 1.00 0.00 H new ATOM 0 HH11 ARG A 27 10.416 -4.235 9.801 1.00 0.00 H new ATOM 0 HH12 ARG A 27 12.019 -4.978 9.817 1.00 0.00 H new ATOM 0 HH21 ARG A 27 12.747 -4.427 6.584 1.00 0.00 H new ATOM 0 HH22 ARG A 27 13.190 -5.071 8.168 1.00 0.00 H new ATOM 454 N TYR A 28 4.723 1.208 6.971 1.00 0.00 N ATOM 455 CA TYR A 28 3.490 1.899 7.413 1.00 0.00 C ATOM 456 C TYR A 28 3.078 3.074 6.464 1.00 0.00 C ATOM 457 O TYR A 28 3.837 3.415 5.530 1.00 0.00 O ATOM 458 CB TYR A 28 3.849 2.356 8.890 1.00 0.00 C ATOM 459 CG TYR A 28 4.037 1.341 9.988 1.00 0.00 C ATOM 460 CD1 TYR A 28 2.856 0.831 10.629 1.00 0.00 C ATOM 461 CD2 TYR A 28 5.261 0.817 10.482 1.00 0.00 C ATOM 462 CE1 TYR A 28 2.952 -0.097 11.676 1.00 0.00 C ATOM 463 CE2 TYR A 28 5.314 -0.118 11.573 1.00 0.00 C ATOM 464 CZ TYR A 28 4.205 -0.554 12.161 1.00 0.00 C ATOM 465 OH TYR A 28 4.244 -1.314 13.329 1.00 0.00 O ATOM 0 H TYR A 28 5.452 1.885 6.747 1.00 0.00 H new ATOM 0 HA TYR A 28 2.605 1.263 7.384 1.00 0.00 H new ATOM 0 HB2 TYR A 28 4.769 2.937 8.831 1.00 0.00 H new ATOM 0 HB3 TYR A 28 3.062 3.037 9.215 1.00 0.00 H new ATOM 0 HD1 TYR A 28 1.883 1.166 10.301 1.00 0.00 H new ATOM 0 HD2 TYR A 28 6.186 1.132 10.021 1.00 0.00 H new ATOM 0 HE1 TYR A 28 2.046 -0.475 12.126 1.00 0.00 H new ATOM 0 HE2 TYR A 28 6.273 -0.473 11.921 1.00 0.00 H new ATOM 0 HH TYR A 28 5.172 -1.553 13.533 1.00 0.00 H new ATOM 475 N LEU A 29 2.010 3.773 6.742 1.00 0.00 N ATOM 476 CA LEU A 29 1.603 4.940 6.021 1.00 0.00 C ATOM 477 C LEU A 29 0.919 5.918 6.974 1.00 0.00 C ATOM 478 O LEU A 29 0.415 5.551 8.030 1.00 0.00 O ATOM 479 CB LEU A 29 0.621 4.601 4.852 1.00 0.00 C ATOM 480 CG LEU A 29 0.900 3.690 3.685 1.00 0.00 C ATOM 481 CD1 LEU A 29 -0.368 3.369 2.894 1.00 0.00 C ATOM 482 CD2 LEU A 29 2.209 3.942 2.846 1.00 0.00 C ATOM 0 H LEU A 29 1.379 3.533 7.506 1.00 0.00 H new ATOM 0 HA LEU A 29 2.500 5.384 5.590 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -0.273 4.200 5.329 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.345 5.560 4.414 1.00 0.00 H new ATOM 0 HG LEU A 29 1.210 2.754 4.150 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.121 2.710 2.062 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.089 2.876 3.546 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.800 4.293 2.509 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.273 3.209 2.042 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.181 4.945 2.421 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.080 3.846 3.494 1.00 0.00 H new ATOM 494 N THR A 30 0.739 7.142 6.455 1.00 0.00 N ATOM 495 CA THR A 30 0.021 8.295 7.064 1.00 0.00 C ATOM 496 C THR A 30 -1.117 8.770 6.169 1.00 0.00 C ATOM 497 O THR A 30 -1.121 8.542 4.945 1.00 0.00 O ATOM 498 CB THR A 30 1.022 9.443 7.260 1.00 0.00 C ATOM 499 OG1 THR A 30 1.591 9.857 6.001 1.00 0.00 O ATOM 500 CG2 THR A 30 2.284 9.101 8.101 1.00 0.00 C ATOM 0 H THR A 30 1.113 7.379 5.536 1.00 0.00 H new ATOM 0 HA THR A 30 -0.404 7.982 8.018 1.00 0.00 H new ATOM 0 HB THR A 30 0.412 10.192 7.766 1.00 0.00 H new ATOM 0 HG1 THR A 30 2.564 9.740 6.027 1.00 0.00 H new ATOM 0 HG21 THR A 30 2.921 9.982 8.176 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.981 8.786 9.100 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.836 8.294 7.618 1.00 0.00 H new ATOM 508 N GLU A 31 -2.017 9.510 6.734 1.00 0.00 N ATOM 509 CA GLU A 31 -3.248 9.886 5.865 1.00 0.00 C ATOM 510 C GLU A 31 -2.877 10.643 4.573 1.00 0.00 C ATOM 511 O GLU A 31 -3.220 10.214 3.509 1.00 0.00 O ATOM 512 CB GLU A 31 -4.214 10.756 6.615 1.00 0.00 C ATOM 513 CG GLU A 31 -4.768 10.078 7.890 1.00 0.00 C ATOM 514 CD GLU A 31 -5.264 8.609 7.766 1.00 0.00 C ATOM 515 OE1 GLU A 31 -5.539 8.123 6.645 1.00 0.00 O ATOM 516 OE2 GLU A 31 -5.078 7.897 8.789 1.00 0.00 O ATOM 0 H GLU A 31 -1.999 9.869 7.688 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.699 8.927 5.608 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.719 11.687 6.890 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.044 11.018 5.959 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -3.989 10.106 8.651 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.597 10.682 8.259 1.00 0.00 H new ATOM 523 N ARG A 32 -2.129 11.729 4.717 1.00 0.00 N ATOM 524 CA ARG A 32 -1.411 12.447 3.629 1.00 0.00 C ATOM 525 C ARG A 32 -0.713 11.643 2.567 1.00 0.00 C ATOM 526 O ARG A 32 -0.620 12.066 1.427 1.00 0.00 O ATOM 527 CB ARG A 32 -0.548 13.575 4.322 1.00 0.00 C ATOM 528 CG ARG A 32 0.637 12.970 5.162 1.00 0.00 C ATOM 529 CD ARG A 32 1.346 13.981 6.054 1.00 0.00 C ATOM 530 NE ARG A 32 2.053 13.398 7.231 1.00 0.00 N ATOM 531 CZ ARG A 32 3.067 12.537 7.245 1.00 0.00 C ATOM 532 NH1 ARG A 32 3.760 11.997 6.298 1.00 0.00 N ATOM 533 NH2 ARG A 32 3.405 12.242 8.532 1.00 0.00 N ATOM 0 H ARG A 32 -1.989 12.166 5.628 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.163 12.879 2.969 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -0.149 14.246 3.562 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -1.186 14.173 4.972 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.252 12.161 5.783 1.00 0.00 H new ATOM 0 HG3 ARG A 32 1.365 12.530 4.480 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.069 14.531 5.451 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.613 14.704 6.411 1.00 0.00 H new ATOM 0 HE ARG A 32 1.715 13.699 8.145 1.00 0.00 H new ATOM 0 HH11 ARG A 32 3.554 12.221 5.324 1.00 0.00 H new ATOM 0 HH12 ARG A 32 4.513 11.347 6.524 1.00 0.00 H new ATOM 0 HH21 ARG A 32 2.895 12.670 9.304 1.00 0.00 H new ATOM 0 HH22 ARG A 32 4.168 11.593 8.723 1.00 0.00 H new ATOM 547 N ARG A 33 -0.116 10.453 2.875 1.00 0.00 N ATOM 548 CA ARG A 33 0.558 9.524 1.952 1.00 0.00 C ATOM 549 C ARG A 33 -0.428 8.484 1.341 1.00 0.00 C ATOM 550 O ARG A 33 -0.220 8.182 0.179 1.00 0.00 O ATOM 551 CB ARG A 33 1.812 8.893 2.639 1.00 0.00 C ATOM 552 CG ARG A 33 2.842 8.145 1.750 1.00 0.00 C ATOM 553 CD ARG A 33 3.683 9.188 0.952 1.00 0.00 C ATOM 554 NE ARG A 33 4.803 8.272 0.478 1.00 0.00 N ATOM 555 CZ ARG A 33 5.756 8.582 -0.337 1.00 0.00 C ATOM 556 NH1 ARG A 33 5.967 9.833 -0.760 1.00 0.00 N ATOM 557 NH2 ARG A 33 6.544 7.720 -0.838 1.00 0.00 N ATOM 0 H ARG A 33 -0.099 10.108 3.835 1.00 0.00 H new ATOM 0 HA ARG A 33 0.925 10.085 1.093 1.00 0.00 H new ATOM 0 HB2 ARG A 33 2.341 9.690 3.161 1.00 0.00 H new ATOM 0 HB3 ARG A 33 1.459 8.195 3.398 1.00 0.00 H new ATOM 0 HG2 ARG A 33 3.495 7.530 2.369 1.00 0.00 H new ATOM 0 HG3 ARG A 33 2.327 7.473 1.063 1.00 0.00 H new ATOM 0 HD2 ARG A 33 3.128 9.636 0.128 1.00 0.00 H new ATOM 0 HD3 ARG A 33 4.043 10.006 1.576 1.00 0.00 H new ATOM 0 HE ARG A 33 4.801 7.318 0.840 1.00 0.00 H new ATOM 0 HH11 ARG A 33 5.362 10.589 -0.438 1.00 0.00 H new ATOM 0 HH12 ARG A 33 6.733 10.031 -1.404 1.00 0.00 H new ATOM 0 HH21 ARG A 33 6.438 6.734 -0.601 1.00 0.00 H new ATOM 0 HH22 ARG A 33 7.282 8.014 -1.478 1.00 0.00 H new ATOM 571 N ARG A 34 -1.425 7.918 2.055 1.00 0.00 N ATOM 572 CA ARG A 34 -2.459 6.985 1.588 1.00 0.00 C ATOM 573 C ARG A 34 -3.136 7.495 0.305 1.00 0.00 C ATOM 574 O ARG A 34 -3.230 6.841 -0.716 1.00 0.00 O ATOM 575 CB ARG A 34 -3.505 6.460 2.641 1.00 0.00 C ATOM 576 CG ARG A 34 -3.112 5.200 3.477 1.00 0.00 C ATOM 577 CD ARG A 34 -3.944 4.827 4.747 1.00 0.00 C ATOM 578 NE ARG A 34 -3.750 5.729 5.951 1.00 0.00 N ATOM 579 CZ ARG A 34 -3.012 5.538 7.016 1.00 0.00 C ATOM 580 NH1 ARG A 34 -2.157 4.534 7.142 1.00 0.00 N ATOM 581 NH2 ARG A 34 -3.005 6.393 7.960 1.00 0.00 N ATOM 0 H ARG A 34 -1.531 8.121 3.049 1.00 0.00 H new ATOM 0 HA ARG A 34 -1.888 6.082 1.371 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.720 7.272 3.336 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -4.432 6.238 2.113 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.139 4.342 2.806 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.076 5.327 3.791 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -5.001 4.831 4.480 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.692 3.807 5.037 1.00 0.00 H new ATOM 0 HE ARG A 34 -4.267 6.608 5.928 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -2.048 3.859 6.385 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -1.608 4.436 7.996 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -3.577 7.235 7.890 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -2.427 6.236 8.786 1.00 0.00 H new ATOM 595 N GLN A 35 -3.529 8.783 0.322 1.00 0.00 N ATOM 596 CA GLN A 35 -4.140 9.463 -0.806 1.00 0.00 C ATOM 597 C GLN A 35 -3.274 9.532 -2.036 1.00 0.00 C ATOM 598 O GLN A 35 -3.844 9.490 -3.137 1.00 0.00 O ATOM 599 CB GLN A 35 -4.848 10.808 -0.312 1.00 0.00 C ATOM 600 CG GLN A 35 -3.890 12.019 -0.359 1.00 0.00 C ATOM 601 CD GLN A 35 -3.515 12.499 -1.731 1.00 0.00 C ATOM 602 OE1 GLN A 35 -4.302 12.446 -2.685 1.00 0.00 O ATOM 603 NE2 GLN A 35 -2.475 13.152 -2.002 1.00 0.00 N ATOM 0 H GLN A 35 -3.423 9.380 1.142 1.00 0.00 H new ATOM 0 HA GLN A 35 -4.950 8.849 -1.200 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -5.718 11.010 -0.937 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -5.212 10.673 0.707 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -4.352 12.845 0.181 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -2.977 11.758 0.177 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -1.747 13.268 -1.297 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -2.359 13.565 -2.927 1.00 0.00 H new ATOM 612 N GLN A 36 -1.949 9.375 -1.967 1.00 0.00 N ATOM 613 CA GLN A 36 -1.051 9.328 -3.224 1.00 0.00 C ATOM 614 C GLN A 36 -1.122 8.104 -3.997 1.00 0.00 C ATOM 615 O GLN A 36 -1.436 8.054 -5.203 1.00 0.00 O ATOM 616 CB GLN A 36 0.425 9.630 -2.784 1.00 0.00 C ATOM 617 CG GLN A 36 1.229 10.276 -3.866 1.00 0.00 C ATOM 618 CD GLN A 36 2.732 10.423 -3.483 1.00 0.00 C ATOM 619 OE1 GLN A 36 3.210 10.204 -2.402 1.00 0.00 O ATOM 620 NE2 GLN A 36 3.618 10.751 -4.388 1.00 0.00 N ATOM 0 H GLN A 36 -1.439 9.276 -1.089 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.430 10.087 -3.908 1.00 0.00 H new ATOM 0 HB2 GLN A 36 0.413 10.280 -1.909 1.00 0.00 H new ATOM 0 HB3 GLN A 36 0.908 8.700 -2.484 1.00 0.00 H new ATOM 0 HG2 GLN A 36 1.146 9.686 -4.778 1.00 0.00 H new ATOM 0 HG3 GLN A 36 0.815 11.260 -4.084 1.00 0.00 H new ATOM 0 HE21 GLN A 36 3.321 10.958 -5.341 1.00 0.00 H new ATOM 0 HE22 GLN A 36 4.606 10.800 -4.140 1.00 0.00 H new ATOM 629 N LEU A 37 -0.971 6.933 -3.279 1.00 0.00 N ATOM 630 CA LEU A 37 -1.141 5.538 -3.811 1.00 0.00 C ATOM 631 C LEU A 37 -2.544 5.284 -4.319 1.00 0.00 C ATOM 632 O LEU A 37 -2.715 4.705 -5.404 1.00 0.00 O ATOM 633 CB LEU A 37 -0.704 4.423 -2.816 1.00 0.00 C ATOM 634 CG LEU A 37 0.718 4.604 -2.254 1.00 0.00 C ATOM 635 CD1 LEU A 37 1.036 3.636 -1.109 1.00 0.00 C ATOM 636 CD2 LEU A 37 1.865 4.395 -3.340 1.00 0.00 C ATOM 0 H LEU A 37 -0.721 6.941 -2.290 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.455 5.481 -4.656 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.410 4.394 -1.986 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.764 3.458 -3.319 1.00 0.00 H new ATOM 0 HG LEU A 37 0.714 5.636 -1.903 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.052 3.812 -0.755 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.334 3.797 -0.291 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.949 2.610 -1.466 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.839 4.538 -2.872 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.802 3.385 -3.746 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.739 5.118 -4.146 1.00 0.00 H new ATOM 648 N SER A 38 -3.536 5.778 -3.537 1.00 0.00 N ATOM 649 CA SER A 38 -5.013 5.788 -3.880 1.00 0.00 C ATOM 650 C SER A 38 -5.384 6.537 -5.154 1.00 0.00 C ATOM 651 O SER A 38 -6.108 5.945 -6.009 1.00 0.00 O ATOM 652 CB SER A 38 -5.746 6.336 -2.668 1.00 0.00 C ATOM 653 OG SER A 38 -7.119 6.611 -2.949 1.00 0.00 O ATOM 0 H SER A 38 -3.345 6.194 -2.625 1.00 0.00 H new ATOM 0 HA SER A 38 -5.313 4.765 -4.108 1.00 0.00 H new ATOM 0 HB2 SER A 38 -5.681 5.618 -1.850 1.00 0.00 H new ATOM 0 HB3 SER A 38 -5.256 7.249 -2.331 1.00 0.00 H new ATOM 0 HG SER A 38 -7.587 5.772 -3.144 1.00 0.00 H new ATOM 659 N SER A 39 -4.719 7.639 -5.437 1.00 0.00 N ATOM 660 CA SER A 39 -4.851 8.327 -6.773 1.00 0.00 C ATOM 661 C SER A 39 -4.038 7.658 -7.902 1.00 0.00 C ATOM 662 O SER A 39 -4.443 7.674 -9.045 1.00 0.00 O ATOM 663 CB SER A 39 -4.337 9.813 -6.567 1.00 0.00 C ATOM 664 OG SER A 39 -4.988 10.414 -5.517 1.00 0.00 O ATOM 0 H SER A 39 -4.080 8.099 -4.789 1.00 0.00 H new ATOM 0 HA SER A 39 -5.893 8.274 -7.089 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.263 9.808 -6.380 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.499 10.388 -7.478 1.00 0.00 H new ATOM 0 HG SER A 39 -4.603 10.102 -4.672 1.00 0.00 H new ATOM 670 N GLU A 40 -2.854 7.110 -7.576 1.00 0.00 N ATOM 671 CA GLU A 40 -1.869 6.539 -8.585 1.00 0.00 C ATOM 672 C GLU A 40 -2.190 5.030 -8.989 1.00 0.00 C ATOM 673 O GLU A 40 -1.601 4.657 -9.983 1.00 0.00 O ATOM 674 CB GLU A 40 -0.421 6.829 -8.216 1.00 0.00 C ATOM 675 CG GLU A 40 0.578 7.113 -9.396 1.00 0.00 C ATOM 676 CD GLU A 40 0.146 8.158 -10.397 1.00 0.00 C ATOM 677 OE1 GLU A 40 0.634 8.217 -11.529 1.00 0.00 O ATOM 678 OE2 GLU A 40 -0.794 8.929 -10.109 1.00 0.00 O ATOM 0 H GLU A 40 -2.528 7.038 -6.612 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.016 7.083 -9.518 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -0.409 7.690 -7.548 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.041 5.980 -7.648 1.00 0.00 H new ATOM 0 HG2 GLU A 40 1.533 7.420 -8.970 1.00 0.00 H new ATOM 0 HG3 GLU A 40 0.753 6.179 -9.930 1.00 0.00 H new ATOM 685 N LEU A 41 -2.997 4.263 -8.222 1.00 0.00 N ATOM 686 CA LEU A 41 -3.499 2.893 -8.573 1.00 0.00 C ATOM 687 C LEU A 41 -5.061 2.767 -8.366 1.00 0.00 C ATOM 688 O LEU A 41 -5.597 1.635 -8.553 1.00 0.00 O ATOM 689 CB LEU A 41 -2.792 1.728 -7.760 1.00 0.00 C ATOM 690 CG LEU A 41 -1.300 1.883 -7.504 1.00 0.00 C ATOM 691 CD1 LEU A 41 -0.835 0.962 -6.398 1.00 0.00 C ATOM 692 CD2 LEU A 41 -0.257 1.703 -8.673 1.00 0.00 C ATOM 0 H LEU A 41 -3.333 4.579 -7.312 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.249 2.774 -9.627 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.294 1.631 -6.798 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.950 0.793 -8.298 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.285 2.948 -7.274 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.235 1.096 -6.239 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.371 1.198 -5.479 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.033 -0.072 -6.679 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.751 1.853 -8.287 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.342 0.697 -9.085 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.459 2.434 -9.456 1.00 0.00 H new ATOM 704 N GLY A 42 -5.809 3.832 -7.959 1.00 0.00 N ATOM 705 CA GLY A 42 -7.281 3.888 -8.084 1.00 0.00 C ATOM 706 C GLY A 42 -8.061 3.025 -7.118 1.00 0.00 C ATOM 707 O GLY A 42 -9.202 2.615 -7.415 1.00 0.00 O ATOM 0 H GLY A 42 -5.403 4.668 -7.538 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.598 4.923 -7.953 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.551 3.598 -9.099 1.00 0.00 H new ATOM 711 N LEU A 43 -7.524 2.801 -5.901 1.00 0.00 N ATOM 712 CA LEU A 43 -8.077 2.017 -4.737 1.00 0.00 C ATOM 713 C LEU A 43 -8.574 3.024 -3.665 1.00 0.00 C ATOM 714 O LEU A 43 -8.059 4.177 -3.652 1.00 0.00 O ATOM 715 CB LEU A 43 -7.018 0.925 -4.242 1.00 0.00 C ATOM 716 CG LEU A 43 -6.342 -0.039 -5.161 1.00 0.00 C ATOM 717 CD1 LEU A 43 -5.759 -1.104 -4.368 1.00 0.00 C ATOM 718 CD2 LEU A 43 -7.319 -0.665 -6.124 1.00 0.00 C ATOM 0 H LEU A 43 -6.611 3.192 -5.669 1.00 0.00 H new ATOM 0 HA LEU A 43 -8.946 1.421 -5.017 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -6.225 1.474 -3.734 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -7.525 0.325 -3.486 1.00 0.00 H new ATOM 0 HG LEU A 43 -5.587 0.506 -5.727 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -5.261 -1.817 -5.026 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -5.033 -0.684 -3.672 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -6.544 -1.613 -3.809 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.791 -1.360 -6.777 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -8.086 -1.202 -5.566 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.786 0.114 -6.726 1.00 0.00 H new ATOM 730 N ASN A 44 -9.348 2.502 -2.761 1.00 0.00 N ATOM 731 CA ASN A 44 -9.831 3.241 -1.632 1.00 0.00 C ATOM 732 C ASN A 44 -8.791 3.121 -0.479 1.00 0.00 C ATOM 733 O ASN A 44 -7.962 2.176 -0.479 1.00 0.00 O ATOM 734 CB ASN A 44 -11.246 2.910 -1.276 1.00 0.00 C ATOM 735 CG ASN A 44 -11.515 1.548 -0.704 1.00 0.00 C ATOM 736 OD1 ASN A 44 -10.600 0.923 -0.217 1.00 0.00 O ATOM 737 ND2 ASN A 44 -12.709 1.116 -0.709 1.00 0.00 N ATOM 0 H ASN A 44 -9.667 1.534 -2.787 1.00 0.00 H new ATOM 0 HA ASN A 44 -9.908 4.300 -1.880 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -11.595 3.652 -0.557 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -11.854 3.025 -2.173 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -12.926 0.211 -0.292 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -13.452 1.674 -1.130 1.00 0.00 H new ATOM 744 N GLU A 45 -8.800 4.048 0.458 1.00 0.00 N ATOM 745 CA GLU A 45 -7.973 4.055 1.653 1.00 0.00 C ATOM 746 C GLU A 45 -8.116 2.833 2.593 1.00 0.00 C ATOM 747 O GLU A 45 -7.153 2.268 3.114 1.00 0.00 O ATOM 748 CB GLU A 45 -8.273 5.279 2.449 1.00 0.00 C ATOM 749 CG GLU A 45 -8.221 6.654 1.711 1.00 0.00 C ATOM 750 CD GLU A 45 -9.623 7.125 1.239 1.00 0.00 C ATOM 751 OE1 GLU A 45 -10.075 8.248 1.648 1.00 0.00 O ATOM 752 OE2 GLU A 45 -10.357 6.409 0.533 1.00 0.00 O ATOM 0 H GLU A 45 -9.416 4.860 0.406 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.951 4.023 1.275 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.269 5.165 2.877 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.571 5.318 3.282 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.793 7.404 2.376 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.558 6.576 0.850 1.00 0.00 H new ATOM 759 N ALA A 46 -9.372 2.282 2.782 1.00 0.00 N ATOM 760 CA ALA A 46 -9.655 1.084 3.511 1.00 0.00 C ATOM 761 C ALA A 46 -8.787 -0.110 3.041 1.00 0.00 C ATOM 762 O ALA A 46 -8.100 -0.772 3.820 1.00 0.00 O ATOM 763 CB ALA A 46 -11.154 0.713 3.574 1.00 0.00 C ATOM 0 H ALA A 46 -10.213 2.713 2.397 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.373 1.315 4.538 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.277 -0.207 4.145 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -11.708 1.517 4.058 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -11.535 0.567 2.563 1.00 0.00 H new ATOM 769 N GLN A 47 -8.744 -0.337 1.715 1.00 0.00 N ATOM 770 CA GLN A 47 -8.017 -1.404 0.982 1.00 0.00 C ATOM 771 C GLN A 47 -6.499 -1.271 1.146 1.00 0.00 C ATOM 772 O GLN A 47 -5.775 -2.263 1.388 1.00 0.00 O ATOM 773 CB GLN A 47 -8.354 -1.388 -0.462 1.00 0.00 C ATOM 774 CG GLN A 47 -9.826 -1.834 -0.849 1.00 0.00 C ATOM 775 CD GLN A 47 -9.907 -3.354 -1.106 1.00 0.00 C ATOM 776 OE1 GLN A 47 -9.371 -4.265 -0.487 1.00 0.00 O ATOM 777 NE2 GLN A 47 -10.241 -3.614 -2.296 1.00 0.00 N ATOM 0 H GLN A 47 -9.256 0.267 1.072 1.00 0.00 H new ATOM 0 HA GLN A 47 -8.335 -2.352 1.415 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -8.193 -0.378 -0.839 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -7.652 -2.038 -0.984 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -10.512 -1.562 -0.047 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -10.148 -1.295 -1.740 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -10.692 -2.899 -2.867 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -10.060 -4.539 -2.686 1.00 0.00 H new ATOM 786 N ILE A 48 -5.967 -0.038 1.195 1.00 0.00 N ATOM 787 CA ILE A 48 -4.561 0.247 1.237 1.00 0.00 C ATOM 788 C ILE A 48 -4.115 0.042 2.665 1.00 0.00 C ATOM 789 O ILE A 48 -3.039 -0.431 2.933 1.00 0.00 O ATOM 790 CB ILE A 48 -4.229 1.639 0.631 1.00 0.00 C ATOM 791 CG1 ILE A 48 -4.571 1.675 -0.931 1.00 0.00 C ATOM 792 CG2 ILE A 48 -2.736 2.018 0.712 1.00 0.00 C ATOM 793 CD1 ILE A 48 -4.698 3.088 -1.472 1.00 0.00 C ATOM 0 H ILE A 48 -6.543 0.804 1.206 1.00 0.00 H new ATOM 0 HA ILE A 48 -3.992 -0.431 0.601 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.827 2.333 1.222 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.791 1.149 -1.481 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -5.503 1.138 -1.107 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -2.586 3.002 0.269 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.422 2.038 1.756 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.144 1.281 0.169 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -4.931 3.051 -2.536 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -5.497 3.609 -0.944 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.758 3.620 -1.325 1.00 0.00 H new ATOM 805 N LYS A 49 -4.889 0.539 3.672 1.00 0.00 N ATOM 806 CA LYS A 49 -4.513 0.452 5.061 1.00 0.00 C ATOM 807 C LYS A 49 -4.330 -1.109 5.307 1.00 0.00 C ATOM 808 O LYS A 49 -3.325 -1.548 5.811 1.00 0.00 O ATOM 809 CB LYS A 49 -5.521 1.101 5.953 1.00 0.00 C ATOM 810 CG LYS A 49 -4.758 1.789 7.143 1.00 0.00 C ATOM 811 CD LYS A 49 -5.783 2.258 8.252 1.00 0.00 C ATOM 812 CE LYS A 49 -5.295 3.306 9.193 1.00 0.00 C ATOM 813 NZ LYS A 49 -6.221 3.392 10.314 1.00 0.00 N ATOM 0 H LYS A 49 -5.783 1.004 3.515 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.598 0.995 5.297 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.101 1.838 5.397 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -6.226 0.360 6.331 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.038 1.093 7.574 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -4.192 2.645 6.775 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.678 2.632 7.756 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -6.082 1.386 8.834 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -4.294 3.060 9.547 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -5.226 4.268 8.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -5.893 4.120 10.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -7.167 3.644 9.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -6.265 2.473 10.800 1.00 0.00 H new ATOM 827 N ILE A 50 -5.367 -1.916 4.988 1.00 0.00 N ATOM 828 CA ILE A 50 -5.411 -3.359 5.273 1.00 0.00 C ATOM 829 C ILE A 50 -4.316 -4.086 4.597 1.00 0.00 C ATOM 830 O ILE A 50 -3.685 -4.887 5.237 1.00 0.00 O ATOM 831 CB ILE A 50 -6.890 -3.959 5.066 1.00 0.00 C ATOM 832 CG1 ILE A 50 -7.927 -3.287 5.945 1.00 0.00 C ATOM 833 CG2 ILE A 50 -6.916 -5.459 5.353 1.00 0.00 C ATOM 834 CD1 ILE A 50 -9.387 -3.494 5.461 1.00 0.00 C ATOM 0 H ILE A 50 -6.206 -1.574 4.519 1.00 0.00 H new ATOM 0 HA ILE A 50 -5.210 -3.517 6.333 1.00 0.00 H new ATOM 0 HB ILE A 50 -7.144 -3.766 4.024 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -7.833 -3.671 6.961 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -7.716 -2.218 5.988 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -7.927 -5.840 5.206 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -6.233 -5.971 4.675 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.607 -5.638 6.383 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -10.071 -2.985 6.140 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -9.499 -3.084 4.457 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -9.618 -4.559 5.446 1.00 0.00 H new ATOM 846 N TRP A 51 -4.016 -3.774 3.311 1.00 0.00 N ATOM 847 CA TRP A 51 -2.928 -4.353 2.595 1.00 0.00 C ATOM 848 C TRP A 51 -1.576 -4.131 3.321 1.00 0.00 C ATOM 849 O TRP A 51 -0.835 -5.071 3.432 1.00 0.00 O ATOM 850 CB TRP A 51 -2.846 -3.787 1.177 1.00 0.00 C ATOM 851 CG TRP A 51 -1.844 -4.659 0.372 1.00 0.00 C ATOM 852 CD1 TRP A 51 -2.122 -5.868 -0.227 1.00 0.00 C ATOM 853 CD2 TRP A 51 -0.400 -4.513 0.178 1.00 0.00 C ATOM 854 NE1 TRP A 51 -0.987 -6.418 -0.803 1.00 0.00 N ATOM 855 CE2 TRP A 51 0.083 -5.615 -0.580 1.00 0.00 C ATOM 856 CE3 TRP A 51 0.522 -3.488 0.517 1.00 0.00 C ATOM 857 CZ2 TRP A 51 1.477 -5.763 -0.817 1.00 0.00 C ATOM 858 CZ3 TRP A 51 1.843 -3.552 0.154 1.00 0.00 C ATOM 859 CH2 TRP A 51 2.368 -4.709 -0.505 1.00 0.00 C ATOM 0 H TRP A 51 -4.551 -3.100 2.764 1.00 0.00 H new ATOM 0 HA TRP A 51 -3.117 -5.425 2.545 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -3.828 -3.799 0.704 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -2.516 -2.748 1.199 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -3.099 -6.328 -0.246 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -0.961 -7.298 -1.319 1.00 0.00 H new ATOM 0 HE3 TRP A 51 0.173 -2.633 1.077 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 1.857 -6.683 -1.236 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 2.496 -2.719 0.368 1.00 0.00 H new ATOM 0 HH2 TRP A 51 3.416 -4.776 -0.757 1.00 0.00 H new ATOM 870 N PHE A 52 -1.274 -2.872 3.808 1.00 0.00 N ATOM 871 CA PHE A 52 -0.083 -2.575 4.572 1.00 0.00 C ATOM 872 C PHE A 52 -0.099 -3.157 6.015 1.00 0.00 C ATOM 873 O PHE A 52 0.928 -3.504 6.601 1.00 0.00 O ATOM 874 CB PHE A 52 0.136 -1.077 4.588 1.00 0.00 C ATOM 875 CG PHE A 52 0.930 -0.309 3.552 1.00 0.00 C ATOM 876 CD1 PHE A 52 2.278 -0.118 3.832 1.00 0.00 C ATOM 877 CD2 PHE A 52 0.478 -0.151 2.226 1.00 0.00 C ATOM 878 CE1 PHE A 52 3.120 0.440 2.839 1.00 0.00 C ATOM 879 CE2 PHE A 52 1.351 0.250 1.167 1.00 0.00 C ATOM 880 CZ PHE A 52 2.691 0.569 1.536 1.00 0.00 C ATOM 0 H PHE A 52 -1.875 -2.061 3.660 1.00 0.00 H new ATOM 0 HA PHE A 52 0.751 -3.071 4.076 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.857 -0.628 4.599 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.598 -0.851 5.549 1.00 0.00 H new ATOM 0 HD1 PHE A 52 2.679 -0.392 4.797 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.562 -0.339 2.003 1.00 0.00 H new ATOM 0 HE1 PHE A 52 4.113 0.769 3.107 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.014 0.308 0.143 1.00 0.00 H new ATOM 0 HZ PHE A 52 3.381 0.917 0.782 1.00 0.00 H new ATOM 890 N GLN A 53 -1.333 -3.405 6.565 1.00 0.00 N ATOM 891 CA GLN A 53 -1.459 -4.097 7.882 1.00 0.00 C ATOM 892 C GLN A 53 -1.048 -5.600 7.812 1.00 0.00 C ATOM 893 O GLN A 53 -0.113 -5.993 8.448 1.00 0.00 O ATOM 894 CB GLN A 53 -2.926 -4.026 8.420 1.00 0.00 C ATOM 895 CG GLN A 53 -3.198 -2.923 9.480 1.00 0.00 C ATOM 896 CD GLN A 53 -4.413 -2.025 9.297 1.00 0.00 C ATOM 897 OE1 GLN A 53 -4.680 -1.369 8.298 1.00 0.00 O ATOM 898 NE2 GLN A 53 -5.352 -2.133 10.174 1.00 0.00 N ATOM 0 H GLN A 53 -2.219 -3.145 6.132 1.00 0.00 H new ATOM 0 HA GLN A 53 -0.779 -3.573 8.554 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -3.597 -3.867 7.576 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.183 -4.993 8.853 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -3.289 -3.411 10.450 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -2.317 -2.283 9.527 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -5.193 -2.667 11.029 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -6.254 -1.685 10.013 1.00 0.00 H new ATOM 907 N ASN A 54 -1.580 -6.356 6.848 1.00 0.00 N ATOM 908 CA ASN A 54 -1.383 -7.802 6.771 1.00 0.00 C ATOM 909 C ASN A 54 -0.068 -8.192 6.086 1.00 0.00 C ATOM 910 O ASN A 54 0.425 -9.304 6.466 1.00 0.00 O ATOM 911 CB ASN A 54 -2.629 -8.366 6.073 1.00 0.00 C ATOM 912 CG ASN A 54 -3.810 -8.032 6.953 1.00 0.00 C ATOM 913 OD1 ASN A 54 -3.978 -8.487 8.106 1.00 0.00 O ATOM 914 ND2 ASN A 54 -4.807 -7.297 6.405 1.00 0.00 N ATOM 0 H ASN A 54 -2.160 -5.980 6.098 1.00 0.00 H new ATOM 0 HA ASN A 54 -1.279 -8.233 7.767 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -2.749 -7.928 5.082 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -2.541 -9.444 5.936 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -5.665 -7.128 6.931 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -4.700 -6.912 5.466 1.00 0.00 H new ATOM 921 N GLU A 55 0.524 -7.381 5.147 1.00 0.00 N ATOM 922 CA GLU A 55 1.924 -7.647 4.616 1.00 0.00 C ATOM 923 C GLU A 55 2.936 -7.717 5.745 1.00 0.00 C ATOM 924 O GLU A 55 3.687 -8.693 5.836 1.00 0.00 O ATOM 925 CB GLU A 55 2.320 -6.549 3.580 1.00 0.00 C ATOM 926 CG GLU A 55 3.489 -6.848 2.569 1.00 0.00 C ATOM 927 CD GLU A 55 3.085 -8.042 1.714 1.00 0.00 C ATOM 928 OE1 GLU A 55 3.801 -8.269 0.703 1.00 0.00 O ATOM 929 OE2 GLU A 55 2.011 -8.642 1.857 1.00 0.00 O ATOM 0 H GLU A 55 0.075 -6.558 4.746 1.00 0.00 H new ATOM 0 HA GLU A 55 1.924 -8.616 4.116 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.431 -6.310 2.996 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.586 -5.651 4.137 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.680 -5.978 1.941 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.412 -7.061 3.108 1.00 0.00 H new ATOM 936 N ARG A 56 2.805 -6.929 6.831 1.00 0.00 N ATOM 937 CA ARG A 56 3.654 -7.084 8.039 1.00 0.00 C ATOM 938 C ARG A 56 3.502 -8.470 8.627 1.00 0.00 C ATOM 939 O ARG A 56 4.527 -9.126 8.824 1.00 0.00 O ATOM 940 CB ARG A 56 3.344 -6.044 9.112 1.00 0.00 C ATOM 941 CG ARG A 56 3.769 -4.542 8.925 1.00 0.00 C ATOM 942 CD ARG A 56 3.589 -3.578 10.093 1.00 0.00 C ATOM 943 NE ARG A 56 4.377 -4.008 11.262 1.00 0.00 N ATOM 944 CZ ARG A 56 3.923 -4.263 12.497 1.00 0.00 C ATOM 945 NH1 ARG A 56 2.630 -4.419 12.792 1.00 0.00 N ATOM 946 NH2 ARG A 56 4.817 -4.527 13.377 1.00 0.00 N ATOM 0 H ARG A 56 2.120 -6.177 6.900 1.00 0.00 H new ATOM 0 HA ARG A 56 4.683 -6.931 7.712 1.00 0.00 H new ATOM 0 HB2 ARG A 56 2.265 -6.055 9.266 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.801 -6.393 10.038 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.822 -4.529 8.646 1.00 0.00 H new ATOM 0 HG3 ARG A 56 3.210 -4.143 8.079 1.00 0.00 H new ATOM 0 HD2 ARG A 56 3.896 -2.576 9.792 1.00 0.00 H new ATOM 0 HD3 ARG A 56 2.534 -3.521 10.362 1.00 0.00 H new ATOM 0 HE ARG A 56 5.380 -4.124 11.115 1.00 0.00 H new ATOM 0 HH11 ARG A 56 1.927 -4.345 12.057 1.00 0.00 H new ATOM 0 HH12 ARG A 56 2.346 -4.612 13.752 1.00 0.00 H new ATOM 0 HH21 ARG A 56 5.803 -4.533 13.116 1.00 0.00 H new ATOM 0 HH22 ARG A 56 4.542 -4.731 14.338 1.00 0.00 H new