USER MOD reduce.3.24.130724 H: found=0, std=0, add=385, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 386 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 LYS NZ :NH3+ 173:sc=-0.00287 (180deg=-0.0798) USER MOD Set 1.2: A 57 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.039) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0057 USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 19 GLN : amide:sc= -0.236 K(o=-0.24,f=-1.7!) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.0011) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.247 USER MOD Single : A 34 GLN : amide:sc= -0.0538 X(o=-0.054,f=-0.054) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 59:sc= 0.259 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0.0096) USER MOD Single : A 46 ASN : amide:sc= -0.157 X(o=-0.16,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.0817 X(o=-0.082,f=-0.11) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 ASN : amide:sc=-0.00619 K(o=-0.0062,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 182 N PHE A 13 9.380 -0.801 -6.028 1.00 0.00 N ATOM 183 CA PHE A 13 8.995 0.521 -5.609 1.00 0.00 C ATOM 184 C PHE A 13 10.245 1.298 -5.309 1.00 0.00 C ATOM 185 O PHE A 13 11.343 0.744 -5.280 1.00 0.00 O ATOM 186 CB PHE A 13 8.124 0.488 -4.324 1.00 0.00 C ATOM 187 CG PHE A 13 6.766 -0.159 -4.484 1.00 0.00 C ATOM 188 CD1 PHE A 13 6.218 -0.598 -5.709 1.00 0.00 C ATOM 189 CD2 PHE A 13 5.989 -0.308 -3.320 1.00 0.00 C ATOM 190 CE1 PHE A 13 4.953 -1.195 -5.754 1.00 0.00 C ATOM 191 CE2 PHE A 13 4.721 -0.889 -3.368 1.00 0.00 C ATOM 192 CZ PHE A 13 4.201 -1.339 -4.585 1.00 0.00 C ATOM 0 HA PHE A 13 8.411 0.979 -6.407 1.00 0.00 H new ATOM 0 HB2 PHE A 13 8.672 -0.043 -3.546 1.00 0.00 H new ATOM 0 HB3 PHE A 13 7.983 1.510 -3.973 1.00 0.00 H new ATOM 0 HD1 PHE A 13 6.781 -0.472 -6.622 1.00 0.00 H new ATOM 0 HD2 PHE A 13 6.381 0.033 -2.373 1.00 0.00 H new ATOM 0 HE1 PHE A 13 4.557 -1.546 -6.695 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.140 -0.991 -2.463 1.00 0.00 H new ATOM 0 HZ PHE A 13 3.223 -1.796 -4.622 1.00 0.00 H new ATOM 202 N THR A 14 10.086 2.622 -5.081 1.00 0.00 N ATOM 203 CA THR A 14 11.176 3.511 -4.746 1.00 0.00 C ATOM 204 C THR A 14 11.119 3.706 -3.257 1.00 0.00 C ATOM 205 O THR A 14 10.244 3.163 -2.587 1.00 0.00 O ATOM 206 CB THR A 14 11.152 4.845 -5.489 1.00 0.00 C ATOM 207 OG1 THR A 14 9.951 5.573 -5.261 1.00 0.00 O ATOM 208 CG2 THR A 14 11.302 4.566 -7.000 1.00 0.00 C ATOM 0 H THR A 14 9.180 3.089 -5.130 1.00 0.00 H new ATOM 0 HA THR A 14 12.116 3.059 -5.063 1.00 0.00 H new ATOM 0 HB THR A 14 11.974 5.455 -5.116 1.00 0.00 H new ATOM 0 HG1 THR A 14 9.982 6.419 -5.755 1.00 0.00 H new ATOM 0 HG21 THR A 14 11.287 5.509 -7.547 1.00 0.00 H new ATOM 0 HG22 THR A 14 12.247 4.055 -7.184 1.00 0.00 H new ATOM 0 HG23 THR A 14 10.478 3.937 -7.337 1.00 0.00 H new ATOM 216 N ALA A 15 12.067 4.494 -2.700 1.00 0.00 N ATOM 217 CA ALA A 15 12.188 4.725 -1.280 1.00 0.00 C ATOM 218 C ALA A 15 11.061 5.581 -0.768 1.00 0.00 C ATOM 219 O ALA A 15 10.614 5.403 0.362 1.00 0.00 O ATOM 220 CB ALA A 15 13.511 5.430 -0.927 1.00 0.00 C ATOM 0 H ALA A 15 12.771 4.986 -3.251 1.00 0.00 H new ATOM 0 HA ALA A 15 12.158 3.742 -0.810 1.00 0.00 H new ATOM 0 HB1 ALA A 15 13.564 5.586 0.150 1.00 0.00 H new ATOM 0 HB2 ALA A 15 14.350 4.811 -1.246 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.557 6.393 -1.436 1.00 0.00 H new ATOM 226 N GLU A 16 10.570 6.518 -1.616 1.00 0.00 N ATOM 227 CA GLU A 16 9.530 7.461 -1.298 1.00 0.00 C ATOM 228 C GLU A 16 8.175 6.807 -1.320 1.00 0.00 C ATOM 229 O GLU A 16 7.250 7.263 -0.649 1.00 0.00 O ATOM 230 CB GLU A 16 9.516 8.622 -2.317 1.00 0.00 C ATOM 231 CG GLU A 16 10.835 9.418 -2.375 1.00 0.00 C ATOM 232 CD GLU A 16 11.144 10.033 -1.011 1.00 0.00 C ATOM 233 OE1 GLU A 16 10.331 10.873 -0.539 1.00 0.00 O ATOM 234 OE2 GLU A 16 12.198 9.671 -0.422 1.00 0.00 O ATOM 0 H GLU A 16 10.917 6.621 -2.570 1.00 0.00 H new ATOM 0 HA GLU A 16 9.739 7.839 -0.297 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.301 8.221 -3.307 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.703 9.303 -2.066 1.00 0.00 H new ATOM 0 HG2 GLU A 16 11.651 8.762 -2.679 1.00 0.00 H new ATOM 0 HG3 GLU A 16 10.761 10.203 -3.127 1.00 0.00 H new ATOM 241 N GLN A 17 8.038 5.704 -2.093 1.00 0.00 N ATOM 242 CA GLN A 17 6.817 4.948 -2.197 1.00 0.00 C ATOM 243 C GLN A 17 6.678 4.063 -0.991 1.00 0.00 C ATOM 244 O GLN A 17 5.666 4.127 -0.295 1.00 0.00 O ATOM 245 CB GLN A 17 6.751 4.105 -3.486 1.00 0.00 C ATOM 246 CG GLN A 17 6.559 4.991 -4.729 1.00 0.00 C ATOM 247 CD GLN A 17 6.329 4.138 -5.981 1.00 0.00 C ATOM 248 OE1 GLN A 17 6.485 2.911 -5.964 1.00 0.00 O ATOM 249 NE2 GLN A 17 5.939 4.825 -7.098 1.00 0.00 N ATOM 0 H GLN A 17 8.797 5.328 -2.661 1.00 0.00 H new ATOM 0 HA GLN A 17 5.990 5.657 -2.242 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.668 3.524 -3.590 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.929 3.393 -3.415 1.00 0.00 H new ATOM 0 HG2 GLN A 17 5.710 5.657 -4.577 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.437 5.621 -4.870 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.824 5.838 -7.060 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.763 4.324 -7.969 1.00 0.00 H new ATOM 258 N LEU A 18 7.722 3.246 -0.706 1.00 0.00 N ATOM 259 CA LEU A 18 7.809 2.311 0.390 1.00 0.00 C ATOM 260 C LEU A 18 7.502 2.928 1.728 1.00 0.00 C ATOM 261 O LEU A 18 6.648 2.412 2.442 1.00 0.00 O ATOM 262 CB LEU A 18 9.224 1.689 0.479 1.00 0.00 C ATOM 263 CG LEU A 18 9.547 0.685 -0.652 1.00 0.00 C ATOM 264 CD1 LEU A 18 11.062 0.418 -0.750 1.00 0.00 C ATOM 265 CD2 LEU A 18 8.766 -0.633 -0.502 1.00 0.00 C ATOM 0 H LEU A 18 8.564 3.239 -1.282 1.00 0.00 H new ATOM 0 HA LEU A 18 7.057 1.552 0.174 1.00 0.00 H new ATOM 0 HB2 LEU A 18 9.963 2.490 0.460 1.00 0.00 H new ATOM 0 HB3 LEU A 18 9.327 1.183 1.439 1.00 0.00 H new ATOM 0 HG LEU A 18 9.222 1.148 -1.584 1.00 0.00 H new ATOM 0 HD11 LEU A 18 11.255 -0.292 -1.554 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.583 1.352 -0.958 1.00 0.00 H new ATOM 0 HD13 LEU A 18 11.420 0.004 0.193 1.00 0.00 H new ATOM 0 HD21 LEU A 18 9.027 -1.305 -1.319 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.022 -1.101 0.449 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.696 -0.427 -0.529 1.00 0.00 H new ATOM 277 N GLN A 19 8.182 4.045 2.089 1.00 0.00 N ATOM 278 CA GLN A 19 8.130 4.660 3.403 1.00 0.00 C ATOM 279 C GLN A 19 6.757 5.129 3.798 1.00 0.00 C ATOM 280 O GLN A 19 6.392 5.088 4.972 1.00 0.00 O ATOM 281 CB GLN A 19 9.133 5.835 3.542 1.00 0.00 C ATOM 282 CG GLN A 19 8.962 7.046 2.594 1.00 0.00 C ATOM 283 CD GLN A 19 7.971 8.098 3.118 1.00 0.00 C ATOM 284 OE1 GLN A 19 7.708 8.198 4.322 1.00 0.00 O ATOM 285 NE2 GLN A 19 7.419 8.912 2.166 1.00 0.00 N ATOM 0 H GLN A 19 8.794 4.543 1.442 1.00 0.00 H new ATOM 0 HA GLN A 19 8.415 3.861 4.087 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.079 6.202 4.567 1.00 0.00 H new ATOM 0 HB3 GLN A 19 10.137 5.437 3.399 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.933 7.517 2.440 1.00 0.00 H new ATOM 0 HG3 GLN A 19 8.622 6.691 1.621 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.668 8.790 1.184 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.759 9.640 2.438 1.00 0.00 H new ATOM 294 N ARG A 20 5.970 5.575 2.799 1.00 0.00 N ATOM 295 CA ARG A 20 4.643 6.114 2.967 1.00 0.00 C ATOM 296 C ARG A 20 3.658 5.015 3.276 1.00 0.00 C ATOM 297 O ARG A 20 2.772 5.178 4.113 1.00 0.00 O ATOM 298 CB ARG A 20 4.191 6.873 1.700 1.00 0.00 C ATOM 299 CG ARG A 20 3.034 7.854 1.955 1.00 0.00 C ATOM 300 CD ARG A 20 2.612 8.671 0.721 1.00 0.00 C ATOM 301 NE ARG A 20 3.799 9.375 0.126 1.00 0.00 N ATOM 302 CZ ARG A 20 4.308 10.552 0.608 1.00 0.00 C ATOM 303 NH1 ARG A 20 3.727 11.201 1.659 1.00 0.00 N ATOM 304 NH2 ARG A 20 5.422 11.084 0.024 1.00 0.00 N ATOM 0 H ARG A 20 6.270 5.561 1.824 1.00 0.00 H new ATOM 0 HA ARG A 20 4.672 6.812 3.803 1.00 0.00 H new ATOM 0 HB2 ARG A 20 5.040 7.422 1.292 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.885 6.151 0.943 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.172 7.294 2.318 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.325 8.542 2.749 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.162 8.013 -0.022 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.852 9.400 1.003 1.00 0.00 H new ATOM 0 HE ARG A 20 4.252 8.952 -0.684 1.00 0.00 H new ATOM 0 HH11 ARG A 20 2.896 10.811 2.103 1.00 0.00 H new ATOM 0 HH12 ARG A 20 4.124 12.076 2.000 1.00 0.00 H new ATOM 0 HH21 ARG A 20 5.864 10.606 -0.761 1.00 0.00 H new ATOM 0 HH22 ARG A 20 5.812 11.960 0.373 1.00 0.00 H new ATOM 318 N LEU A 21 3.822 3.849 2.605 1.00 0.00 N ATOM 319 CA LEU A 21 2.969 2.694 2.767 1.00 0.00 C ATOM 320 C LEU A 21 3.248 1.964 4.053 1.00 0.00 C ATOM 321 O LEU A 21 2.384 1.241 4.535 1.00 0.00 O ATOM 322 CB LEU A 21 3.182 1.648 1.653 1.00 0.00 C ATOM 323 CG LEU A 21 2.940 2.168 0.224 1.00 0.00 C ATOM 324 CD1 LEU A 21 3.411 1.126 -0.807 1.00 0.00 C ATOM 325 CD2 LEU A 21 1.475 2.581 -0.020 1.00 0.00 C ATOM 0 H LEU A 21 4.571 3.704 1.928 1.00 0.00 H new ATOM 0 HA LEU A 21 1.956 3.097 2.744 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.202 1.270 1.719 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.517 0.804 1.835 1.00 0.00 H new ATOM 0 HG LEU A 21 3.532 3.075 0.102 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.235 1.505 -1.814 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.476 0.936 -0.672 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.856 0.198 -0.666 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.364 2.939 -1.043 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.824 1.721 0.136 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.200 3.375 0.674 1.00 0.00 H new ATOM 337 N LYS A 22 4.466 2.127 4.621 1.00 0.00 N ATOM 338 CA LYS A 22 4.906 1.486 5.841 1.00 0.00 C ATOM 339 C LYS A 22 4.442 2.294 7.016 1.00 0.00 C ATOM 340 O LYS A 22 4.196 1.755 8.095 1.00 0.00 O ATOM 341 CB LYS A 22 6.445 1.379 5.899 1.00 0.00 C ATOM 342 CG LYS A 22 6.980 0.355 4.889 1.00 0.00 C ATOM 343 CD LYS A 22 8.459 0.534 4.515 1.00 0.00 C ATOM 344 CE LYS A 22 9.449 0.279 5.658 1.00 0.00 C ATOM 345 NZ LYS A 22 9.360 -1.117 6.148 1.00 0.00 N ATOM 0 H LYS A 22 5.179 2.732 4.214 1.00 0.00 H new ATOM 0 HA LYS A 22 4.484 0.481 5.865 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.886 2.355 5.696 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.753 1.093 6.905 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.842 -0.646 5.299 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.380 0.413 3.981 1.00 0.00 H new ATOM 0 HD2 LYS A 22 8.695 -0.141 3.692 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.605 1.549 4.147 1.00 0.00 H new ATOM 0 HE2 LYS A 22 10.464 0.482 5.315 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.246 0.968 6.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 10.120 -1.292 6.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.438 -1.267 6.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 9.460 -1.773 5.347 1.00 0.00 H new ATOM 359 N ALA A 23 4.283 3.620 6.803 1.00 0.00 N ATOM 360 CA ALA A 23 3.758 4.541 7.781 1.00 0.00 C ATOM 361 C ALA A 23 2.257 4.458 7.806 1.00 0.00 C ATOM 362 O ALA A 23 1.624 4.898 8.765 1.00 0.00 O ATOM 363 CB ALA A 23 4.140 5.994 7.467 1.00 0.00 C ATOM 0 H ALA A 23 4.528 4.068 5.920 1.00 0.00 H new ATOM 0 HA ALA A 23 4.186 4.260 8.743 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.724 6.653 8.229 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.226 6.091 7.458 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.742 6.272 6.491 1.00 0.00 H new ATOM 369 N GLU A 24 1.657 3.862 6.749 1.00 0.00 N ATOM 370 CA GLU A 24 0.255 3.549 6.708 1.00 0.00 C ATOM 371 C GLU A 24 0.047 2.218 7.380 1.00 0.00 C ATOM 372 O GLU A 24 -0.849 2.099 8.211 1.00 0.00 O ATOM 373 CB GLU A 24 -0.302 3.505 5.270 1.00 0.00 C ATOM 374 CG GLU A 24 -1.837 3.396 5.222 1.00 0.00 C ATOM 375 CD GLU A 24 -2.320 3.494 3.778 1.00 0.00 C ATOM 376 OE1 GLU A 24 -2.024 4.528 3.120 1.00 0.00 O ATOM 377 OE2 GLU A 24 -2.998 2.539 3.315 1.00 0.00 O ATOM 0 H GLU A 24 2.160 3.592 5.904 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.287 4.339 7.228 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.010 4.404 4.738 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.134 2.656 4.743 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -2.157 2.450 5.658 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -2.285 4.190 5.819 1.00 0.00 H new ATOM 384 N PHE A 25 0.897 1.205 7.044 1.00 0.00 N ATOM 385 CA PHE A 25 0.794 -0.189 7.440 1.00 0.00 C ATOM 386 C PHE A 25 0.677 -0.383 8.933 1.00 0.00 C ATOM 387 O PHE A 25 -0.063 -1.260 9.374 1.00 0.00 O ATOM 388 CB PHE A 25 2.015 -1.020 6.929 1.00 0.00 C ATOM 389 CG PHE A 25 1.839 -2.506 7.139 1.00 0.00 C ATOM 390 CD1 PHE A 25 0.999 -3.241 6.286 1.00 0.00 C ATOM 391 CD2 PHE A 25 2.460 -3.168 8.214 1.00 0.00 C ATOM 392 CE1 PHE A 25 0.749 -4.597 6.519 1.00 0.00 C ATOM 393 CE2 PHE A 25 2.220 -4.528 8.446 1.00 0.00 C ATOM 394 CZ PHE A 25 1.358 -5.240 7.604 1.00 0.00 C ATOM 0 H PHE A 25 1.712 1.373 6.455 1.00 0.00 H new ATOM 0 HA PHE A 25 -0.127 -0.545 6.978 1.00 0.00 H new ATOM 0 HB2 PHE A 25 2.165 -0.823 5.868 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.916 -0.689 7.445 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.540 -2.752 5.439 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.127 -2.623 8.865 1.00 0.00 H new ATOM 0 HE1 PHE A 25 0.089 -5.147 5.865 1.00 0.00 H new ATOM 0 HE2 PHE A 25 2.700 -5.027 9.275 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.162 -6.286 7.791 1.00 0.00 H new ATOM 404 N GLN A 26 1.413 0.433 9.728 1.00 0.00 N ATOM 405 CA GLN A 26 1.548 0.295 11.164 1.00 0.00 C ATOM 406 C GLN A 26 0.232 0.219 11.900 1.00 0.00 C ATOM 407 O GLN A 26 -0.010 -0.736 12.637 1.00 0.00 O ATOM 408 CB GLN A 26 2.412 1.422 11.781 1.00 0.00 C ATOM 409 CG GLN A 26 2.178 2.824 11.188 1.00 0.00 C ATOM 410 CD GLN A 26 3.074 3.850 11.893 1.00 0.00 C ATOM 411 OE1 GLN A 26 2.588 4.673 12.679 1.00 0.00 O ATOM 412 NE2 GLN A 26 4.407 3.792 11.592 1.00 0.00 N ATOM 0 H GLN A 26 1.938 1.225 9.356 1.00 0.00 H new ATOM 0 HA GLN A 26 2.052 -0.663 11.294 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.219 1.461 12.853 1.00 0.00 H new ATOM 0 HB3 GLN A 26 3.463 1.162 11.656 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.392 2.816 10.119 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.131 3.105 11.301 1.00 0.00 H new ATOM 0 HE21 GLN A 26 4.752 3.091 10.936 1.00 0.00 H new ATOM 0 HE22 GLN A 26 5.056 4.449 12.024 1.00 0.00 H new ATOM 421 N THR A 27 -0.650 1.220 11.698 1.00 0.00 N ATOM 422 CA THR A 27 -1.932 1.301 12.347 1.00 0.00 C ATOM 423 C THR A 27 -2.920 0.612 11.455 1.00 0.00 C ATOM 424 O THR A 27 -3.643 -0.291 11.870 1.00 0.00 O ATOM 425 CB THR A 27 -2.355 2.744 12.585 1.00 0.00 C ATOM 426 OG1 THR A 27 -1.368 3.407 13.368 1.00 0.00 O ATOM 427 CG2 THR A 27 -3.709 2.804 13.326 1.00 0.00 C ATOM 0 H THR A 27 -0.468 1.998 11.064 1.00 0.00 H new ATOM 0 HA THR A 27 -1.881 0.826 13.327 1.00 0.00 H new ATOM 0 HB THR A 27 -2.460 3.235 11.618 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.640 4.336 13.519 1.00 0.00 H new ATOM 0 HG21 THR A 27 -3.991 3.845 13.485 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.473 2.308 12.728 1.00 0.00 H new ATOM 0 HG23 THR A 27 -3.619 2.301 14.289 1.00 0.00 H new ATOM 435 N ASN A 28 -2.953 1.070 10.191 1.00 0.00 N ATOM 436 CA ASN A 28 -3.983 0.773 9.240 1.00 0.00 C ATOM 437 C ASN A 28 -3.461 -0.215 8.239 1.00 0.00 C ATOM 438 O ASN A 28 -2.706 0.136 7.334 1.00 0.00 O ATOM 439 CB ASN A 28 -4.382 2.052 8.478 1.00 0.00 C ATOM 440 CG ASN A 28 -5.022 3.060 9.445 1.00 0.00 C ATOM 441 OD1 ASN A 28 -6.056 2.771 10.057 1.00 0.00 O ATOM 442 ND2 ASN A 28 -4.382 4.261 9.575 1.00 0.00 N ATOM 0 H ASN A 28 -2.226 1.677 9.812 1.00 0.00 H new ATOM 0 HA ASN A 28 -4.845 0.369 9.771 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -3.504 2.494 8.007 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -5.082 1.806 7.679 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -4.756 4.973 10.203 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -3.531 4.445 9.044 1.00 0.00 H new ATOM 449 N ARG A 29 -3.881 -1.492 8.375 1.00 0.00 N ATOM 450 CA ARG A 29 -3.512 -2.540 7.458 1.00 0.00 C ATOM 451 C ARG A 29 -4.568 -2.663 6.414 1.00 0.00 C ATOM 452 O ARG A 29 -4.342 -2.278 5.267 1.00 0.00 O ATOM 453 CB ARG A 29 -3.324 -3.922 8.120 1.00 0.00 C ATOM 454 CG ARG A 29 -2.092 -3.971 9.035 1.00 0.00 C ATOM 455 CD ARG A 29 -1.664 -5.396 9.417 1.00 0.00 C ATOM 456 NE ARG A 29 -2.733 -6.055 10.234 1.00 0.00 N ATOM 457 CZ ARG A 29 -2.696 -7.390 10.539 1.00 0.00 C ATOM 458 NH1 ARG A 29 -1.723 -8.202 10.030 1.00 0.00 N ATOM 459 NH2 ARG A 29 -3.641 -7.916 11.372 1.00 0.00 N ATOM 0 H ARG A 29 -4.487 -1.804 9.134 1.00 0.00 H new ATOM 0 HA ARG A 29 -2.547 -2.254 7.040 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.214 -4.168 8.700 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.228 -4.683 7.345 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.260 -3.472 8.537 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -2.303 -3.408 9.944 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -1.472 -5.980 8.517 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -0.732 -5.365 9.981 1.00 0.00 H new ATOM 0 HE ARG A 29 -3.513 -5.492 10.574 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.009 -7.817 9.412 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -1.711 -9.194 10.268 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.368 -7.316 11.762 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -3.620 -8.909 11.604 1.00 0.00 H new ATOM 473 N TYR A 30 -5.734 -3.237 6.793 1.00 0.00 N ATOM 474 CA TYR A 30 -6.720 -3.763 5.889 1.00 0.00 C ATOM 475 C TYR A 30 -7.368 -2.685 5.077 1.00 0.00 C ATOM 476 O TYR A 30 -8.221 -1.935 5.547 1.00 0.00 O ATOM 477 CB TYR A 30 -7.797 -4.590 6.619 1.00 0.00 C ATOM 478 CG TYR A 30 -7.161 -5.829 7.195 1.00 0.00 C ATOM 479 CD1 TYR A 30 -6.789 -6.888 6.349 1.00 0.00 C ATOM 480 CD2 TYR A 30 -6.897 -5.938 8.572 1.00 0.00 C ATOM 481 CE1 TYR A 30 -6.165 -8.030 6.863 1.00 0.00 C ATOM 482 CE2 TYR A 30 -6.274 -7.080 9.090 1.00 0.00 C ATOM 483 CZ TYR A 30 -5.903 -8.128 8.235 1.00 0.00 C ATOM 484 OH TYR A 30 -5.266 -9.277 8.750 1.00 0.00 O ATOM 0 H TYR A 30 -5.999 -3.338 7.773 1.00 0.00 H new ATOM 0 HA TYR A 30 -6.182 -4.427 5.212 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -8.252 -3.997 7.412 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -8.594 -4.863 5.928 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -6.987 -6.819 5.290 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -7.177 -5.134 9.236 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -5.885 -8.836 6.201 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -6.079 -7.154 10.150 1.00 0.00 H new ATOM 0 HH TYR A 30 -5.158 -9.184 9.720 1.00 0.00 H new ATOM 494 N LEU A 31 -6.926 -2.624 3.800 1.00 0.00 N ATOM 495 CA LEU A 31 -7.391 -1.713 2.794 1.00 0.00 C ATOM 496 C LEU A 31 -8.759 -2.125 2.341 1.00 0.00 C ATOM 497 O LEU A 31 -9.153 -3.286 2.447 1.00 0.00 O ATOM 498 CB LEU A 31 -6.509 -1.700 1.517 1.00 0.00 C ATOM 499 CG LEU A 31 -5.002 -1.438 1.736 1.00 0.00 C ATOM 500 CD1 LEU A 31 -4.250 -1.465 0.393 1.00 0.00 C ATOM 501 CD2 LEU A 31 -4.729 -0.117 2.472 1.00 0.00 C ATOM 0 H LEU A 31 -6.200 -3.250 3.452 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.369 -0.727 3.258 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.621 -2.660 1.013 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.895 -0.938 0.841 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.633 -2.241 2.375 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.190 -1.279 0.566 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.375 -2.442 -0.075 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.652 -0.694 -0.264 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.654 0.014 2.598 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.130 0.713 1.891 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.209 -0.140 3.451 1.00 0.00 H new ATOM 513 N THR A 32 -9.489 -1.138 1.789 1.00 0.00 N ATOM 514 CA THR A 32 -10.720 -1.350 1.066 1.00 0.00 C ATOM 515 C THR A 32 -10.323 -1.353 -0.378 1.00 0.00 C ATOM 516 O THR A 32 -9.163 -1.119 -0.702 1.00 0.00 O ATOM 517 CB THR A 32 -11.819 -0.337 1.372 1.00 0.00 C ATOM 518 OG1 THR A 32 -11.464 0.994 1.026 1.00 0.00 O ATOM 519 CG2 THR A 32 -12.091 -0.385 2.886 1.00 0.00 C ATOM 0 H THR A 32 -9.219 -0.156 1.844 1.00 0.00 H new ATOM 0 HA THR A 32 -11.182 -2.289 1.371 1.00 0.00 H new ATOM 0 HB THR A 32 -12.693 -0.603 0.778 1.00 0.00 H new ATOM 0 HG1 THR A 32 -12.205 1.597 1.243 1.00 0.00 H new ATOM 0 HG21 THR A 32 -12.874 0.330 3.138 1.00 0.00 H new ATOM 0 HG22 THR A 32 -12.412 -1.388 3.166 1.00 0.00 H new ATOM 0 HG23 THR A 32 -11.180 -0.131 3.428 1.00 0.00 H new ATOM 527 N GLU A 33 -11.278 -1.624 -1.292 1.00 0.00 N ATOM 528 CA GLU A 33 -11.032 -1.567 -2.714 1.00 0.00 C ATOM 529 C GLU A 33 -10.935 -0.132 -3.169 1.00 0.00 C ATOM 530 O GLU A 33 -10.368 0.146 -4.222 1.00 0.00 O ATOM 531 CB GLU A 33 -12.151 -2.257 -3.527 1.00 0.00 C ATOM 532 CG GLU A 33 -12.291 -3.752 -3.191 1.00 0.00 C ATOM 533 CD GLU A 33 -13.387 -4.376 -4.054 1.00 0.00 C ATOM 534 OE1 GLU A 33 -13.222 -4.393 -5.303 1.00 0.00 O ATOM 535 OE2 GLU A 33 -14.403 -4.847 -3.476 1.00 0.00 O ATOM 0 H GLU A 33 -12.233 -1.886 -1.047 1.00 0.00 H new ATOM 0 HA GLU A 33 -10.094 -2.093 -2.891 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -13.099 -1.755 -3.333 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -11.943 -2.146 -4.591 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -11.344 -4.263 -3.364 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -12.532 -3.876 -2.135 1.00 0.00 H new ATOM 542 N GLN A 34 -11.501 0.800 -2.365 1.00 0.00 N ATOM 543 CA GLN A 34 -11.632 2.200 -2.688 1.00 0.00 C ATOM 544 C GLN A 34 -10.437 2.970 -2.195 1.00 0.00 C ATOM 545 O GLN A 34 -9.992 3.917 -2.838 1.00 0.00 O ATOM 546 CB GLN A 34 -12.914 2.779 -2.041 1.00 0.00 C ATOM 547 CG GLN A 34 -13.206 4.261 -2.345 1.00 0.00 C ATOM 548 CD GLN A 34 -13.341 4.479 -3.859 1.00 0.00 C ATOM 549 OE1 GLN A 34 -14.205 3.876 -4.506 1.00 0.00 O ATOM 550 NE2 GLN A 34 -12.463 5.362 -4.424 1.00 0.00 N ATOM 0 H GLN A 34 -11.885 0.568 -1.449 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.696 2.295 -3.772 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -13.766 2.185 -2.372 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -12.840 2.657 -0.960 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -14.124 4.568 -1.843 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -12.404 4.885 -1.951 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -11.769 5.833 -3.844 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -12.502 5.550 -5.426 1.00 0.00 H new ATOM 559 N ARG A 35 -9.885 2.577 -1.027 1.00 0.00 N ATOM 560 CA ARG A 35 -8.775 3.244 -0.387 1.00 0.00 C ATOM 561 C ARG A 35 -7.499 2.802 -1.019 1.00 0.00 C ATOM 562 O ARG A 35 -6.566 3.583 -1.154 1.00 0.00 O ATOM 563 CB ARG A 35 -8.683 2.867 1.096 1.00 0.00 C ATOM 564 CG ARG A 35 -7.683 3.703 1.911 1.00 0.00 C ATOM 565 CD ARG A 35 -7.890 3.599 3.427 1.00 0.00 C ATOM 566 NE ARG A 35 -7.486 2.231 3.913 1.00 0.00 N ATOM 567 CZ ARG A 35 -6.523 2.036 4.867 1.00 0.00 C ATOM 568 NH1 ARG A 35 -5.668 3.039 5.217 1.00 0.00 N ATOM 569 NH2 ARG A 35 -6.416 0.818 5.477 1.00 0.00 N ATOM 0 H ARG A 35 -10.220 1.767 -0.506 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.933 4.317 -0.494 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -9.671 2.969 1.545 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -8.405 1.816 1.173 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -6.670 3.382 1.668 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -7.766 4.748 1.612 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -7.301 4.362 3.935 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -8.935 3.787 3.673 1.00 0.00 H new ATOM 0 HE ARG A 35 -7.950 1.415 3.514 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -5.740 3.951 4.766 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -4.956 2.877 5.930 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -7.051 0.062 5.221 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -5.701 0.665 6.188 1.00 0.00 H new ATOM 583 N ARG A 36 -7.466 1.521 -1.444 1.00 0.00 N ATOM 584 CA ARG A 36 -6.426 0.920 -2.249 1.00 0.00 C ATOM 585 C ARG A 36 -6.302 1.618 -3.577 1.00 0.00 C ATOM 586 O ARG A 36 -5.202 1.793 -4.101 1.00 0.00 O ATOM 587 CB ARG A 36 -6.777 -0.552 -2.513 1.00 0.00 C ATOM 588 CG ARG A 36 -5.770 -1.358 -3.344 1.00 0.00 C ATOM 589 CD ARG A 36 -6.270 -2.784 -3.620 1.00 0.00 C ATOM 590 NE ARG A 36 -6.535 -3.466 -2.305 1.00 0.00 N ATOM 591 CZ ARG A 36 -7.604 -4.290 -2.078 1.00 0.00 C ATOM 592 NH1 ARG A 36 -8.461 -4.638 -3.080 1.00 0.00 N ATOM 593 NH2 ARG A 36 -7.815 -4.771 -0.816 1.00 0.00 N ATOM 0 H ARG A 36 -8.209 0.861 -1.214 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.484 1.006 -1.708 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -6.902 -1.050 -1.552 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -7.742 -0.587 -3.019 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.588 -0.847 -4.290 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.817 -1.403 -2.817 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.179 -2.756 -4.221 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.527 -3.341 -4.191 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.881 -3.305 -1.539 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -8.313 -4.283 -4.024 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.250 -5.254 -2.885 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.180 -4.515 -0.060 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -8.607 -5.386 -0.631 1.00 0.00 H new ATOM 607 N GLN A 37 -7.459 2.062 -4.127 1.00 0.00 N ATOM 608 CA GLN A 37 -7.555 2.811 -5.344 1.00 0.00 C ATOM 609 C GLN A 37 -7.060 4.216 -5.157 1.00 0.00 C ATOM 610 O GLN A 37 -6.646 4.871 -6.109 1.00 0.00 O ATOM 611 CB GLN A 37 -9.020 2.884 -5.815 1.00 0.00 C ATOM 612 CG GLN A 37 -9.107 3.135 -7.318 1.00 0.00 C ATOM 613 CD GLN A 37 -10.532 2.910 -7.825 1.00 0.00 C ATOM 614 OE1 GLN A 37 -10.786 1.971 -8.588 1.00 0.00 O ATOM 615 NE2 GLN A 37 -11.474 3.798 -7.384 1.00 0.00 N ATOM 0 H GLN A 37 -8.368 1.887 -3.698 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.940 2.301 -6.085 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -9.530 1.953 -5.570 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -9.537 3.681 -5.280 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -8.794 4.155 -7.539 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.420 2.470 -7.843 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -11.206 4.555 -6.754 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -12.444 3.704 -7.685 1.00 0.00 H new ATOM 624 N SER A 38 -7.080 4.705 -3.896 1.00 0.00 N ATOM 625 CA SER A 38 -6.626 6.041 -3.579 1.00 0.00 C ATOM 626 C SER A 38 -5.130 6.053 -3.428 1.00 0.00 C ATOM 627 O SER A 38 -4.500 7.075 -3.686 1.00 0.00 O ATOM 628 CB SER A 38 -7.213 6.611 -2.275 1.00 0.00 C ATOM 629 OG SER A 38 -8.632 6.658 -2.336 1.00 0.00 O ATOM 0 H SER A 38 -7.412 4.175 -3.090 1.00 0.00 H new ATOM 0 HA SER A 38 -6.967 6.662 -4.408 1.00 0.00 H new ATOM 0 HB2 SER A 38 -6.901 5.995 -1.431 1.00 0.00 H new ATOM 0 HB3 SER A 38 -6.819 7.612 -2.101 1.00 0.00 H new ATOM 0 HG SER A 38 -8.983 5.755 -2.482 1.00 0.00 H new ATOM 635 N LEU A 39 -4.527 4.903 -3.028 1.00 0.00 N ATOM 636 CA LEU A 39 -3.093 4.751 -2.898 1.00 0.00 C ATOM 637 C LEU A 39 -2.495 4.611 -4.279 1.00 0.00 C ATOM 638 O LEU A 39 -1.322 4.911 -4.500 1.00 0.00 O ATOM 639 CB LEU A 39 -2.645 3.499 -2.100 1.00 0.00 C ATOM 640 CG LEU A 39 -3.366 3.190 -0.768 1.00 0.00 C ATOM 641 CD1 LEU A 39 -2.661 2.031 -0.036 1.00 0.00 C ATOM 642 CD2 LEU A 39 -3.578 4.395 0.164 1.00 0.00 C ATOM 0 H LEU A 39 -5.047 4.059 -2.789 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.754 5.633 -2.355 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.758 2.631 -2.750 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.581 3.602 -1.887 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.376 2.893 -1.050 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.179 1.824 0.900 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.677 1.141 -0.664 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.628 2.308 0.174 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.092 4.069 1.069 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.612 4.824 0.430 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.181 5.147 -0.345 1.00 0.00 H new ATOM 654 N ALA A 40 -3.329 4.145 -5.241 1.00 0.00 N ATOM 655 CA ALA A 40 -2.990 3.989 -6.634 1.00 0.00 C ATOM 656 C ALA A 40 -2.931 5.332 -7.316 1.00 0.00 C ATOM 657 O ALA A 40 -2.167 5.526 -8.256 1.00 0.00 O ATOM 658 CB ALA A 40 -4.006 3.107 -7.383 1.00 0.00 C ATOM 0 H ALA A 40 -4.288 3.863 -5.036 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.015 3.503 -6.665 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.710 3.018 -8.428 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.033 2.117 -6.928 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.995 3.561 -7.324 1.00 0.00 H new ATOM 664 N GLN A 41 -3.737 6.308 -6.839 1.00 0.00 N ATOM 665 CA GLN A 41 -3.750 7.655 -7.364 1.00 0.00 C ATOM 666 C GLN A 41 -2.655 8.466 -6.718 1.00 0.00 C ATOM 667 O GLN A 41 -2.257 9.504 -7.248 1.00 0.00 O ATOM 668 CB GLN A 41 -5.098 8.356 -7.080 1.00 0.00 C ATOM 669 CG GLN A 41 -6.260 7.753 -7.889 1.00 0.00 C ATOM 670 CD GLN A 41 -7.598 8.306 -7.384 1.00 0.00 C ATOM 671 OE1 GLN A 41 -8.389 7.574 -6.777 1.00 0.00 O ATOM 672 NE2 GLN A 41 -7.843 9.625 -7.650 1.00 0.00 N ATOM 0 H GLN A 41 -4.394 6.162 -6.073 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.599 7.589 -8.441 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.324 8.283 -6.016 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -5.008 9.417 -7.315 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -6.137 7.987 -8.946 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -6.250 6.667 -7.800 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.152 10.180 -8.155 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -8.716 10.054 -7.343 1.00 0.00 H new ATOM 681 N GLU A 42 -2.153 8.005 -5.547 1.00 0.00 N ATOM 682 CA GLU A 42 -1.275 8.753 -4.685 1.00 0.00 C ATOM 683 C GLU A 42 0.126 8.798 -5.202 1.00 0.00 C ATOM 684 O GLU A 42 0.606 9.834 -5.661 1.00 0.00 O ATOM 685 CB GLU A 42 -1.274 8.154 -3.258 1.00 0.00 C ATOM 686 CG GLU A 42 -0.515 8.970 -2.197 1.00 0.00 C ATOM 687 CD GLU A 42 -0.681 8.287 -0.839 1.00 0.00 C ATOM 688 OE1 GLU A 42 -0.271 7.102 -0.716 1.00 0.00 O ATOM 689 OE2 GLU A 42 -1.218 8.942 0.094 1.00 0.00 O ATOM 0 H GLU A 42 -2.368 7.075 -5.188 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.658 9.773 -4.659 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.307 8.038 -2.931 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.839 7.155 -3.302 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.541 9.039 -2.458 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.901 9.989 -2.157 1.00 0.00 H new ATOM 696 N LEU A 43 0.807 7.639 -5.131 1.00 0.00 N ATOM 697 CA LEU A 43 2.180 7.446 -5.509 1.00 0.00 C ATOM 698 C LEU A 43 2.240 7.335 -6.997 1.00 0.00 C ATOM 699 O LEU A 43 3.237 7.680 -7.629 1.00 0.00 O ATOM 700 CB LEU A 43 2.697 6.131 -4.893 1.00 0.00 C ATOM 701 CG LEU A 43 2.608 6.134 -3.351 1.00 0.00 C ATOM 702 CD1 LEU A 43 2.860 4.740 -2.756 1.00 0.00 C ATOM 703 CD2 LEU A 43 3.534 7.186 -2.711 1.00 0.00 C ATOM 0 H LEU A 43 0.374 6.781 -4.788 1.00 0.00 H new ATOM 0 HA LEU A 43 2.789 8.279 -5.158 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.119 5.295 -5.287 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.732 5.973 -5.195 1.00 0.00 H new ATOM 0 HG LEU A 43 1.584 6.416 -3.107 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.788 4.790 -1.670 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.115 4.041 -3.138 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.856 4.399 -3.038 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.434 7.147 -1.626 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.567 6.977 -2.988 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.257 8.179 -3.066 1.00 0.00 H new ATOM 715 N GLY A 44 1.117 6.854 -7.565 1.00 0.00 N ATOM 716 CA GLY A 44 0.925 6.723 -8.986 1.00 0.00 C ATOM 717 C GLY A 44 1.155 5.291 -9.326 1.00 0.00 C ATOM 718 O GLY A 44 1.732 4.967 -10.363 1.00 0.00 O ATOM 0 H GLY A 44 0.313 6.545 -7.020 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.082 7.030 -9.269 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.618 7.365 -9.530 1.00 0.00 H new ATOM 722 N LEU A 45 0.686 4.401 -8.425 1.00 0.00 N ATOM 723 CA LEU A 45 0.819 2.967 -8.571 1.00 0.00 C ATOM 724 C LEU A 45 -0.469 2.438 -9.147 1.00 0.00 C ATOM 725 O LEU A 45 -1.297 3.194 -9.652 1.00 0.00 O ATOM 726 CB LEU A 45 1.133 2.298 -7.210 1.00 0.00 C ATOM 727 CG LEU A 45 2.625 2.382 -6.809 1.00 0.00 C ATOM 728 CD1 LEU A 45 2.820 2.144 -5.303 1.00 0.00 C ATOM 729 CD2 LEU A 45 3.475 1.379 -7.605 1.00 0.00 C ATOM 0 H LEU A 45 0.201 4.679 -7.572 1.00 0.00 H new ATOM 0 HA LEU A 45 1.649 2.735 -9.238 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.530 2.770 -6.435 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.835 1.250 -7.252 1.00 0.00 H new ATOM 0 HG LEU A 45 2.958 3.392 -7.047 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.880 2.211 -5.058 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.270 2.899 -4.741 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.448 1.154 -5.040 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.518 1.463 -7.300 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.121 0.367 -7.410 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.390 1.595 -8.670 1.00 0.00 H new ATOM 741 N ASN A 46 -0.648 1.099 -9.106 1.00 0.00 N ATOM 742 CA ASN A 46 -1.870 0.433 -9.478 1.00 0.00 C ATOM 743 C ASN A 46 -2.497 -0.002 -8.187 1.00 0.00 C ATOM 744 O ASN A 46 -1.953 0.228 -7.109 1.00 0.00 O ATOM 745 CB ASN A 46 -1.639 -0.822 -10.358 1.00 0.00 C ATOM 746 CG ASN A 46 -0.947 -0.402 -11.663 1.00 0.00 C ATOM 747 OD1 ASN A 46 -1.512 0.367 -12.450 1.00 0.00 O ATOM 748 ND2 ASN A 46 0.299 -0.922 -11.883 1.00 0.00 N ATOM 0 H ASN A 46 0.083 0.456 -8.803 1.00 0.00 H new ATOM 0 HA ASN A 46 -2.487 1.112 -10.066 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -1.025 -1.548 -9.824 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -2.590 -1.308 -10.576 1.00 0.00 H new ATOM 0 HD21 ASN A 46 0.810 -0.679 -12.732 1.00 0.00 H new ATOM 0 HD22 ASN A 46 0.717 -1.552 -11.198 1.00 0.00 H new ATOM 755 N GLU A 47 -3.680 -0.651 -8.270 1.00 0.00 N ATOM 756 CA GLU A 47 -4.336 -1.277 -7.146 1.00 0.00 C ATOM 757 C GLU A 47 -3.616 -2.541 -6.799 1.00 0.00 C ATOM 758 O GLU A 47 -3.418 -2.877 -5.636 1.00 0.00 O ATOM 759 CB GLU A 47 -5.787 -1.684 -7.480 1.00 0.00 C ATOM 760 CG GLU A 47 -6.602 -0.485 -7.968 1.00 0.00 C ATOM 761 CD GLU A 47 -8.086 -0.831 -7.927 1.00 0.00 C ATOM 762 OE1 GLU A 47 -8.529 -1.636 -8.791 1.00 0.00 O ATOM 763 OE2 GLU A 47 -8.797 -0.307 -7.030 1.00 0.00 O ATOM 0 H GLU A 47 -4.198 -0.745 -9.144 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.331 -0.554 -6.330 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.782 -2.459 -8.246 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.260 -2.112 -6.596 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -6.402 0.384 -7.341 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -6.307 -0.220 -8.983 1.00 0.00 H new ATOM 770 N SER A 48 -3.233 -3.249 -7.877 1.00 0.00 N ATOM 771 CA SER A 48 -2.746 -4.609 -7.900 1.00 0.00 C ATOM 772 C SER A 48 -1.402 -4.722 -7.229 1.00 0.00 C ATOM 773 O SER A 48 -1.151 -5.682 -6.503 1.00 0.00 O ATOM 774 CB SER A 48 -2.636 -5.129 -9.358 1.00 0.00 C ATOM 775 OG SER A 48 -2.378 -6.528 -9.414 1.00 0.00 O ATOM 0 H SER A 48 -3.264 -2.843 -8.812 1.00 0.00 H new ATOM 0 HA SER A 48 -3.464 -5.218 -7.351 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.562 -4.911 -9.890 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.838 -4.594 -9.873 1.00 0.00 H new ATOM 0 HG SER A 48 -2.318 -6.812 -10.350 1.00 0.00 H new ATOM 781 N GLN A 49 -0.519 -3.722 -7.453 1.00 0.00 N ATOM 782 CA GLN A 49 0.826 -3.676 -6.936 1.00 0.00 C ATOM 783 C GLN A 49 0.836 -3.562 -5.437 1.00 0.00 C ATOM 784 O GLN A 49 1.642 -4.203 -4.767 1.00 0.00 O ATOM 785 CB GLN A 49 1.576 -2.445 -7.495 1.00 0.00 C ATOM 786 CG GLN A 49 1.882 -2.531 -9.001 1.00 0.00 C ATOM 787 CD GLN A 49 2.892 -3.657 -9.250 1.00 0.00 C ATOM 788 OE1 GLN A 49 4.017 -3.612 -8.737 1.00 0.00 O ATOM 789 NE2 GLN A 49 2.474 -4.683 -10.054 1.00 0.00 N ATOM 0 H GLN A 49 -0.753 -2.907 -8.021 1.00 0.00 H new ATOM 0 HA GLN A 49 1.312 -4.602 -7.241 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.980 -1.552 -7.306 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.512 -2.324 -6.950 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.965 -2.719 -9.560 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.283 -1.582 -9.357 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.535 -4.669 -10.451 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.102 -5.461 -10.256 1.00 0.00 H new ATOM 798 N ILE A 50 -0.073 -2.727 -4.890 1.00 0.00 N ATOM 799 CA ILE A 50 -0.096 -2.361 -3.496 1.00 0.00 C ATOM 800 C ILE A 50 -0.871 -3.394 -2.715 1.00 0.00 C ATOM 801 O ILE A 50 -0.661 -3.557 -1.518 1.00 0.00 O ATOM 802 CB ILE A 50 -0.692 -0.979 -3.274 1.00 0.00 C ATOM 803 CG1 ILE A 50 -0.158 0.031 -4.315 1.00 0.00 C ATOM 804 CG2 ILE A 50 -0.354 -0.514 -1.841 1.00 0.00 C ATOM 805 CD1 ILE A 50 -0.873 1.377 -4.215 1.00 0.00 C ATOM 0 H ILE A 50 -0.818 -2.291 -5.433 1.00 0.00 H new ATOM 0 HA ILE A 50 0.935 -2.326 -3.144 1.00 0.00 H new ATOM 0 HB ILE A 50 -1.774 -1.031 -3.397 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.912 0.175 -4.166 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.288 -0.377 -5.318 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.777 0.476 -1.671 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.775 -1.217 -1.122 1.00 0.00 H new ATOM 0 HG23 ILE A 50 0.728 -0.473 -1.718 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.470 2.060 -4.963 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.940 1.236 -4.390 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.721 1.797 -3.221 1.00 0.00 H new ATOM 817 N LYS A 51 -1.768 -4.157 -3.386 1.00 0.00 N ATOM 818 CA LYS A 51 -2.550 -5.214 -2.783 1.00 0.00 C ATOM 819 C LYS A 51 -1.640 -6.319 -2.336 1.00 0.00 C ATOM 820 O LYS A 51 -1.702 -6.782 -1.199 1.00 0.00 O ATOM 821 CB LYS A 51 -3.552 -5.825 -3.785 1.00 0.00 C ATOM 822 CG LYS A 51 -4.622 -6.703 -3.121 1.00 0.00 C ATOM 823 CD LYS A 51 -5.714 -7.163 -4.098 1.00 0.00 C ATOM 824 CE LYS A 51 -6.791 -8.017 -3.418 1.00 0.00 C ATOM 825 NZ LYS A 51 -7.849 -8.402 -4.380 1.00 0.00 N ATOM 0 H LYS A 51 -1.957 -4.036 -4.381 1.00 0.00 H new ATOM 0 HA LYS A 51 -3.093 -4.776 -1.946 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.042 -5.020 -4.333 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.006 -6.422 -4.515 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.144 -7.578 -2.681 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.084 -6.148 -2.304 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -6.181 -6.289 -4.552 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.257 -7.736 -4.905 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.336 -8.913 -2.994 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.232 -7.461 -2.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -8.566 -8.979 -3.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -8.297 -7.546 -4.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -7.429 -8.952 -5.156 1.00 0.00 H new ATOM 839 N ILE A 52 -0.739 -6.709 -3.261 1.00 0.00 N ATOM 840 CA ILE A 52 0.300 -7.687 -3.124 1.00 0.00 C ATOM 841 C ILE A 52 1.269 -7.268 -2.053 1.00 0.00 C ATOM 842 O ILE A 52 1.634 -8.075 -1.203 1.00 0.00 O ATOM 843 CB ILE A 52 0.970 -7.852 -4.483 1.00 0.00 C ATOM 844 CG1 ILE A 52 0.007 -8.611 -5.429 1.00 0.00 C ATOM 845 CG2 ILE A 52 2.340 -8.540 -4.353 1.00 0.00 C ATOM 846 CD1 ILE A 52 0.490 -8.689 -6.880 1.00 0.00 C ATOM 0 H ILE A 52 -0.741 -6.298 -4.194 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.106 -8.650 -2.813 1.00 0.00 H new ATOM 0 HB ILE A 52 1.172 -6.872 -4.915 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.135 -9.623 -5.050 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.967 -8.122 -5.407 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.791 -8.642 -5.340 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.990 -7.939 -3.718 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.211 -9.527 -3.909 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.240 -9.236 -7.477 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.605 -7.682 -7.280 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.449 -9.205 -6.917 1.00 0.00 H new ATOM 858 N TRP A 53 1.678 -5.980 -2.074 1.00 0.00 N ATOM 859 CA TRP A 53 2.623 -5.383 -1.152 1.00 0.00 C ATOM 860 C TRP A 53 2.152 -5.480 0.282 1.00 0.00 C ATOM 861 O TRP A 53 2.934 -5.838 1.155 1.00 0.00 O ATOM 862 CB TRP A 53 2.921 -3.891 -1.479 1.00 0.00 C ATOM 863 CG TRP A 53 4.054 -3.265 -0.675 1.00 0.00 C ATOM 864 CD1 TRP A 53 5.397 -3.249 -0.932 1.00 0.00 C ATOM 865 CD2 TRP A 53 3.880 -2.619 0.599 1.00 0.00 C ATOM 866 NE1 TRP A 53 6.070 -2.625 0.092 1.00 0.00 N ATOM 867 CE2 TRP A 53 5.159 -2.238 1.050 1.00 0.00 C ATOM 868 CE3 TRP A 53 2.749 -2.368 1.366 1.00 0.00 C ATOM 869 CZ2 TRP A 53 5.319 -1.601 2.277 1.00 0.00 C ATOM 870 CZ3 TRP A 53 2.911 -1.773 2.621 1.00 0.00 C ATOM 871 CH2 TRP A 53 4.181 -1.392 3.071 1.00 0.00 C ATOM 0 H TRP A 53 1.335 -5.316 -2.768 1.00 0.00 H new ATOM 0 HA TRP A 53 3.542 -5.957 -1.273 1.00 0.00 H new ATOM 0 HB2 TRP A 53 3.161 -3.809 -2.539 1.00 0.00 H new ATOM 0 HB3 TRP A 53 2.014 -3.311 -1.311 1.00 0.00 H new ATOM 0 HD1 TRP A 53 5.862 -3.666 -1.813 1.00 0.00 H new ATOM 0 HE1 TRP A 53 7.078 -2.474 0.135 1.00 0.00 H new ATOM 0 HE3 TRP A 53 1.766 -2.627 1.001 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 6.294 -1.276 2.609 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 2.048 -1.606 3.249 1.00 0.00 H new ATOM 0 HH2 TRP A 53 4.286 -0.931 4.042 1.00 0.00 H new ATOM 882 N PHE A 54 0.862 -5.166 0.555 1.00 0.00 N ATOM 883 CA PHE A 54 0.294 -5.162 1.888 1.00 0.00 C ATOM 884 C PHE A 54 0.222 -6.570 2.421 1.00 0.00 C ATOM 885 O PHE A 54 0.513 -6.786 3.592 1.00 0.00 O ATOM 886 CB PHE A 54 -1.130 -4.531 1.931 1.00 0.00 C ATOM 887 CG PHE A 54 -1.096 -3.086 2.382 1.00 0.00 C ATOM 888 CD1 PHE A 54 -0.705 -2.051 1.514 1.00 0.00 C ATOM 889 CD2 PHE A 54 -1.471 -2.744 3.694 1.00 0.00 C ATOM 890 CE1 PHE A 54 -0.655 -0.721 1.948 1.00 0.00 C ATOM 891 CE2 PHE A 54 -1.431 -1.413 4.130 1.00 0.00 C ATOM 892 CZ PHE A 54 -1.015 -0.402 3.260 1.00 0.00 C ATOM 0 H PHE A 54 0.192 -4.907 -0.169 1.00 0.00 H new ATOM 0 HA PHE A 54 0.949 -4.550 2.508 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -1.584 -4.592 0.942 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -1.762 -5.107 2.607 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.438 -2.286 0.494 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.794 -3.518 4.374 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -0.339 0.058 1.270 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.722 -1.168 5.141 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.972 0.622 3.600 1.00 0.00 H new ATOM 902 N GLN A 55 -0.127 -7.563 1.566 1.00 0.00 N ATOM 903 CA GLN A 55 -0.253 -8.955 1.932 1.00 0.00 C ATOM 904 C GLN A 55 1.078 -9.608 2.215 1.00 0.00 C ATOM 905 O GLN A 55 1.127 -10.598 2.941 1.00 0.00 O ATOM 906 CB GLN A 55 -0.958 -9.757 0.817 1.00 0.00 C ATOM 907 CG GLN A 55 -2.454 -9.420 0.700 1.00 0.00 C ATOM 908 CD GLN A 55 -3.050 -10.138 -0.517 1.00 0.00 C ATOM 909 OE1 GLN A 55 -2.674 -9.849 -1.660 1.00 0.00 O ATOM 910 NE2 GLN A 55 -3.998 -11.088 -0.256 1.00 0.00 N ATOM 0 H GLN A 55 -0.329 -7.390 0.581 1.00 0.00 H new ATOM 0 HA GLN A 55 -0.847 -8.968 2.846 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.468 -9.555 -0.136 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.844 -10.823 1.014 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.977 -9.724 1.606 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.588 -8.343 0.601 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -4.270 -11.286 0.707 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -4.433 -11.599 -1.024 1.00 0.00 H new ATOM 919 N ASN A 56 2.185 -9.057 1.666 1.00 0.00 N ATOM 920 CA ASN A 56 3.536 -9.525 1.872 1.00 0.00 C ATOM 921 C ASN A 56 4.013 -9.111 3.240 1.00 0.00 C ATOM 922 O ASN A 56 4.686 -9.873 3.931 1.00 0.00 O ATOM 923 CB ASN A 56 4.515 -8.898 0.849 1.00 0.00 C ATOM 924 CG ASN A 56 4.320 -9.489 -0.557 1.00 0.00 C ATOM 925 OD1 ASN A 56 3.653 -10.514 -0.741 1.00 0.00 O ATOM 926 ND2 ASN A 56 4.933 -8.805 -1.571 1.00 0.00 N ATOM 0 H ASN A 56 2.138 -8.246 1.049 1.00 0.00 H new ATOM 0 HA ASN A 56 3.521 -10.609 1.759 1.00 0.00 H new ATOM 0 HB2 ASN A 56 4.365 -7.819 0.815 1.00 0.00 H new ATOM 0 HB3 ASN A 56 5.541 -9.067 1.176 1.00 0.00 H new ATOM 0 HD21 ASN A 56 4.851 -9.136 -2.532 1.00 0.00 H new ATOM 0 HD22 ASN A 56 5.472 -7.964 -1.366 1.00 0.00 H new ATOM 933 N LYS A 57 3.648 -7.876 3.650 1.00 0.00 N ATOM 934 CA LYS A 57 3.971 -7.288 4.932 1.00 0.00 C ATOM 935 C LYS A 57 3.170 -7.893 6.051 1.00 0.00 C ATOM 936 O LYS A 57 3.550 -7.790 7.216 1.00 0.00 O ATOM 937 CB LYS A 57 3.711 -5.763 4.936 1.00 0.00 C ATOM 938 CG LYS A 57 4.619 -4.965 3.988 1.00 0.00 C ATOM 939 CD LYS A 57 6.122 -5.236 4.159 1.00 0.00 C ATOM 940 CE LYS A 57 6.703 -4.839 5.525 1.00 0.00 C ATOM 941 NZ LYS A 57 6.529 -3.392 5.789 1.00 0.00 N ATOM 0 H LYS A 57 3.099 -7.251 3.060 1.00 0.00 H new ATOM 0 HA LYS A 57 5.030 -7.491 5.091 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.671 -5.583 4.662 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.843 -5.386 5.950 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.337 -5.192 2.960 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.436 -3.901 4.141 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.305 -6.299 3.998 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.664 -4.698 3.381 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.214 -5.415 6.311 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.763 -5.091 5.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 7.006 -3.142 6.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.943 -2.844 5.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.515 -3.173 5.866 1.00 0.00 H new