USER MOD reduce.3.24.130724 H: found=0, std=0, add=419, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 420 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 20 THR OG1 : rot 40:sc= -0.0602 USER MOD Set 1.2: A 51 TYR OH : rot -110:sc= 0.977 USER MOD Single : A 11 THR OG1 : rot 180:sc= -2.24! USER MOD Single : A 14 GLN : amide:sc= -0.468 X(o=-0.47,f=-0.41) USER MOD Single : A 16 LYS NZ :NH3+ -171:sc= 1.23 (180deg=1.15) USER MOD Single : A 18 GLN : amide:sc= -0.834 K(o=-0.83,f=-3.1!) USER MOD Single : A 22 SER OG : rot 79:sc= 0.611 USER MOD Single : A 24 LYS NZ :NH3+ -150:sc= 0.638 (180deg=0.258) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot -73:sc= 1.18 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl -143:sc= -0.0367 (180deg=-1.46) USER MOD Single : A 39 SER OG : rot 50:sc= 1.23 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.291 K(o=-0.29,f=-1.6!) USER MOD Single : A 48 MET CE :methyl 175:sc= -3.13! (180deg=-3.55!) USER MOD Single : A 52 TYR OH : rot -88:sc= 0.152 USER MOD Single : A 58 GLN : amide:sc=-0.00785 X(o=-0.0078,f=0) USER MOD ----------------------------------------------------------------- ATOM 139 N LEU A 10 -10.285 8.842 4.612 1.00 0.00 N ATOM 140 CA LEU A 10 -10.718 8.258 3.378 1.00 0.00 C ATOM 141 C LEU A 10 -11.565 7.032 3.633 1.00 0.00 C ATOM 142 O LEU A 10 -11.758 6.616 4.784 1.00 0.00 O ATOM 143 CB LEU A 10 -9.533 7.834 2.491 1.00 0.00 C ATOM 144 CG LEU A 10 -8.174 8.556 2.631 1.00 0.00 C ATOM 145 CD1 LEU A 10 -7.402 8.045 3.843 1.00 0.00 C ATOM 146 CD2 LEU A 10 -7.343 8.380 1.376 1.00 0.00 C ATOM 0 HA LEU A 10 -11.297 9.026 2.864 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.357 6.773 2.668 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -9.850 7.936 1.453 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.376 9.617 2.774 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.450 8.571 3.916 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.985 8.222 4.747 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.218 6.976 3.733 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.390 8.896 1.495 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.162 7.319 1.205 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.878 8.799 0.524 1.00 0.00 H new ATOM 158 N THR A 11 -12.056 6.456 2.568 1.00 0.00 N ATOM 159 CA THR A 11 -12.832 5.254 2.630 1.00 0.00 C ATOM 160 C THR A 11 -11.966 4.081 2.251 1.00 0.00 C ATOM 161 O THR A 11 -10.802 4.263 1.868 1.00 0.00 O ATOM 162 CB THR A 11 -14.045 5.336 1.681 1.00 0.00 C ATOM 163 OG1 THR A 11 -13.592 5.520 0.331 1.00 0.00 O ATOM 164 CG2 THR A 11 -14.913 6.502 2.057 1.00 0.00 C ATOM 0 H THR A 11 -11.925 6.816 1.623 1.00 0.00 H new ATOM 0 HA THR A 11 -13.201 5.127 3.648 1.00 0.00 H new ATOM 0 HB THR A 11 -14.615 4.410 1.762 1.00 0.00 H new ATOM 0 HG1 THR A 11 -14.365 5.570 -0.269 1.00 0.00 H new ATOM 0 HG21 THR A 11 -15.767 6.552 1.382 1.00 0.00 H new ATOM 0 HG22 THR A 11 -15.266 6.377 3.081 1.00 0.00 H new ATOM 0 HG23 THR A 11 -14.336 7.424 1.982 1.00 0.00 H new ATOM 172 N PHE A 12 -12.520 2.891 2.334 1.00 0.00 N ATOM 173 CA PHE A 12 -11.787 1.688 1.995 1.00 0.00 C ATOM 174 C PHE A 12 -11.362 1.708 0.528 1.00 0.00 C ATOM 175 O PHE A 12 -10.234 1.377 0.160 1.00 0.00 O ATOM 176 CB PHE A 12 -12.602 0.424 2.340 1.00 0.00 C ATOM 177 CG PHE A 12 -11.997 -0.851 1.831 1.00 0.00 C ATOM 178 CD1 PHE A 12 -10.792 -1.301 2.308 1.00 0.00 C ATOM 179 CD2 PHE A 12 -12.638 -1.594 0.855 1.00 0.00 C ATOM 180 CE1 PHE A 12 -10.243 -2.454 1.828 1.00 0.00 C ATOM 181 CE2 PHE A 12 -12.081 -2.761 0.380 1.00 0.00 C ATOM 182 CZ PHE A 12 -10.872 -3.184 0.878 1.00 0.00 C ATOM 0 H PHE A 12 -13.481 2.729 2.635 1.00 0.00 H new ATOM 0 HA PHE A 12 -10.880 1.659 2.599 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -12.708 0.357 3.423 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -13.606 0.528 1.928 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -10.274 -0.738 3.070 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -13.585 -1.255 0.462 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -9.291 -2.789 2.212 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -12.590 -3.339 -0.377 1.00 0.00 H new ATOM 0 HZ PHE A 12 -10.425 -4.097 0.512 1.00 0.00 H new ATOM 192 N ASP A 13 -12.284 2.202 -0.268 1.00 0.00 N ATOM 193 CA ASP A 13 -12.042 2.407 -1.687 1.00 0.00 C ATOM 194 C ASP A 13 -11.000 3.439 -1.952 1.00 0.00 C ATOM 195 O ASP A 13 -10.162 3.262 -2.816 1.00 0.00 O ATOM 196 CB ASP A 13 -13.309 2.655 -2.498 1.00 0.00 C ATOM 197 CG ASP A 13 -14.053 1.371 -2.789 1.00 0.00 C ATOM 198 OD1 ASP A 13 -14.930 0.981 -2.008 1.00 0.00 O ATOM 199 OD2 ASP A 13 -13.744 0.698 -3.805 1.00 0.00 O ATOM 0 H ASP A 13 -13.217 2.473 0.042 1.00 0.00 H new ATOM 0 HA ASP A 13 -11.645 1.456 -2.041 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -13.961 3.337 -1.953 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -13.049 3.145 -3.437 1.00 0.00 H new ATOM 204 N GLN A 14 -10.981 4.471 -1.137 1.00 0.00 N ATOM 205 CA GLN A 14 -10.039 5.550 -1.339 1.00 0.00 C ATOM 206 C GLN A 14 -8.667 5.129 -0.911 1.00 0.00 C ATOM 207 O GLN A 14 -7.676 5.504 -1.513 1.00 0.00 O ATOM 208 CB GLN A 14 -10.471 6.835 -0.671 1.00 0.00 C ATOM 209 CG GLN A 14 -11.757 7.406 -1.225 1.00 0.00 C ATOM 210 CD GLN A 14 -11.698 7.548 -2.715 1.00 0.00 C ATOM 211 OE1 GLN A 14 -11.275 8.572 -3.252 1.00 0.00 O ATOM 212 NE2 GLN A 14 -12.139 6.540 -3.388 1.00 0.00 N ATOM 0 H GLN A 14 -11.601 4.586 -0.335 1.00 0.00 H new ATOM 0 HA GLN A 14 -10.013 5.768 -2.407 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -10.594 6.655 0.397 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -9.678 7.575 -0.780 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -12.591 6.759 -0.953 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -11.949 8.379 -0.773 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -12.480 5.711 -2.901 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -12.147 6.571 -4.407 1.00 0.00 H new ATOM 221 N VAL A 15 -8.614 4.335 0.136 1.00 0.00 N ATOM 222 CA VAL A 15 -7.365 3.883 0.662 1.00 0.00 C ATOM 223 C VAL A 15 -6.770 2.905 -0.286 1.00 0.00 C ATOM 224 O VAL A 15 -5.552 2.926 -0.521 1.00 0.00 O ATOM 225 CB VAL A 15 -7.457 3.348 2.104 1.00 0.00 C ATOM 226 CG1 VAL A 15 -6.178 2.639 2.465 1.00 0.00 C ATOM 227 CG2 VAL A 15 -7.617 4.516 3.038 1.00 0.00 C ATOM 0 H VAL A 15 -9.434 3.992 0.636 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.700 4.742 0.749 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.300 2.662 2.183 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.247 2.262 3.485 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -6.018 1.806 1.780 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.343 3.335 2.391 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.684 4.155 4.064 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.757 5.179 2.942 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -8.526 5.062 2.786 1.00 0.00 H new ATOM 237 N LYS A 16 -7.610 2.065 -0.851 1.00 0.00 N ATOM 238 CA LYS A 16 -7.198 1.200 -1.899 1.00 0.00 C ATOM 239 C LYS A 16 -6.587 2.013 -3.009 1.00 0.00 C ATOM 240 O LYS A 16 -5.471 1.767 -3.392 1.00 0.00 O ATOM 241 CB LYS A 16 -8.377 0.420 -2.442 1.00 0.00 C ATOM 242 CG LYS A 16 -8.774 -0.832 -1.663 1.00 0.00 C ATOM 243 CD LYS A 16 -9.824 -1.642 -2.429 1.00 0.00 C ATOM 244 CE LYS A 16 -11.090 -0.835 -2.657 1.00 0.00 C ATOM 245 NZ LYS A 16 -12.057 -1.498 -3.555 1.00 0.00 N ATOM 0 H LYS A 16 -8.591 1.974 -0.588 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.464 0.498 -1.503 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.239 1.086 -2.482 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -8.151 0.128 -3.468 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.893 -1.448 -1.484 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -9.168 -0.548 -0.687 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -9.414 -1.957 -3.389 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -10.064 -2.548 -1.872 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -11.569 -0.646 -1.696 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.823 0.135 -3.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -12.824 -0.835 -3.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -11.575 -1.792 -4.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -12.455 -2.334 -3.081 1.00 0.00 H new ATOM 259 N GLU A 17 -7.295 3.017 -3.465 1.00 0.00 N ATOM 260 CA GLU A 17 -6.805 3.877 -4.517 1.00 0.00 C ATOM 261 C GLU A 17 -5.516 4.658 -4.122 1.00 0.00 C ATOM 262 O GLU A 17 -4.698 4.964 -4.985 1.00 0.00 O ATOM 263 CB GLU A 17 -7.924 4.779 -5.058 1.00 0.00 C ATOM 264 CG GLU A 17 -9.085 3.967 -5.648 1.00 0.00 C ATOM 265 CD GLU A 17 -10.172 4.809 -6.272 1.00 0.00 C ATOM 266 OE1 GLU A 17 -11.095 5.268 -5.568 1.00 0.00 O ATOM 267 OE2 GLU A 17 -10.139 5.017 -7.494 1.00 0.00 O ATOM 0 H GLU A 17 -8.223 3.261 -3.120 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.491 3.233 -5.339 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.298 5.414 -4.255 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.518 5.440 -5.824 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.691 3.285 -6.401 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.522 3.354 -4.860 1.00 0.00 H new ATOM 274 N GLN A 18 -5.304 4.904 -2.806 1.00 0.00 N ATOM 275 CA GLN A 18 -4.151 5.573 -2.284 1.00 0.00 C ATOM 276 C GLN A 18 -2.966 4.669 -2.470 1.00 0.00 C ATOM 277 O GLN A 18 -1.953 5.020 -3.106 1.00 0.00 O ATOM 278 CB GLN A 18 -4.430 5.879 -0.804 1.00 0.00 C ATOM 279 CG GLN A 18 -3.222 6.223 -0.026 1.00 0.00 C ATOM 280 CD GLN A 18 -3.478 6.568 1.434 1.00 0.00 C ATOM 281 OE1 GLN A 18 -2.750 7.345 2.031 1.00 0.00 O ATOM 282 NE2 GLN A 18 -4.484 5.979 2.026 1.00 0.00 N ATOM 0 H GLN A 18 -5.966 4.623 -2.082 1.00 0.00 H new ATOM 0 HA GLN A 18 -3.937 6.511 -2.796 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -5.138 6.705 -0.741 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.909 5.013 -0.348 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -2.528 5.384 -0.070 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -2.729 7.070 -0.503 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.077 5.334 1.503 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -4.676 6.165 3.010 1.00 0.00 H new ATOM 291 N LEU A 19 -3.113 3.518 -1.915 1.00 0.00 N ATOM 292 CA LEU A 19 -2.121 2.507 -1.917 1.00 0.00 C ATOM 293 C LEU A 19 -1.824 2.024 -3.313 1.00 0.00 C ATOM 294 O LEU A 19 -0.672 1.796 -3.666 1.00 0.00 O ATOM 295 CB LEU A 19 -2.605 1.398 -1.053 1.00 0.00 C ATOM 296 CG LEU A 19 -2.374 1.541 0.448 1.00 0.00 C ATOM 297 CD1 LEU A 19 -3.093 0.448 1.189 1.00 0.00 C ATOM 298 CD2 LEU A 19 -0.882 1.509 0.773 1.00 0.00 C ATOM 0 H LEU A 19 -3.966 3.246 -1.426 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.184 2.906 -1.528 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.675 1.279 -1.222 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.126 0.477 -1.384 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.772 2.505 0.767 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.921 0.560 2.259 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.162 0.512 0.985 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.718 -0.522 0.861 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.742 1.613 1.849 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.458 0.561 0.441 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.380 2.330 0.261 1.00 0.00 H new ATOM 310 N THR A 20 -2.854 1.939 -4.109 1.00 0.00 N ATOM 311 CA THR A 20 -2.720 1.566 -5.476 1.00 0.00 C ATOM 312 C THR A 20 -1.848 2.553 -6.204 1.00 0.00 C ATOM 313 O THR A 20 -0.846 2.168 -6.756 1.00 0.00 O ATOM 314 CB THR A 20 -4.102 1.449 -6.154 1.00 0.00 C ATOM 315 OG1 THR A 20 -4.764 0.268 -5.692 1.00 0.00 O ATOM 316 CG2 THR A 20 -4.011 1.467 -7.681 1.00 0.00 C ATOM 0 H THR A 20 -3.813 2.129 -3.818 1.00 0.00 H new ATOM 0 HA THR A 20 -2.243 0.587 -5.520 1.00 0.00 H new ATOM 0 HB THR A 20 -4.686 2.325 -5.874 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.600 0.155 -4.732 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.011 1.382 -8.106 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.556 2.402 -8.007 1.00 0.00 H new ATOM 0 HG23 THR A 20 -3.401 0.630 -8.019 1.00 0.00 H new ATOM 324 N GLU A 21 -2.164 3.823 -6.077 1.00 0.00 N ATOM 325 CA GLU A 21 -1.483 4.888 -6.798 1.00 0.00 C ATOM 326 C GLU A 21 0.005 4.894 -6.448 1.00 0.00 C ATOM 327 O GLU A 21 0.875 4.920 -7.326 1.00 0.00 O ATOM 328 CB GLU A 21 -2.157 6.192 -6.393 1.00 0.00 C ATOM 329 CG GLU A 21 -1.597 7.472 -6.992 1.00 0.00 C ATOM 330 CD GLU A 21 -1.773 7.547 -8.476 1.00 0.00 C ATOM 331 OE1 GLU A 21 -2.902 7.786 -8.949 1.00 0.00 O ATOM 332 OE2 GLU A 21 -0.799 7.392 -9.204 1.00 0.00 O ATOM 0 H GLU A 21 -2.909 4.154 -5.464 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.551 4.748 -7.877 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.212 6.126 -6.660 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.108 6.276 -5.307 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.088 8.328 -6.529 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.536 7.545 -6.753 1.00 0.00 H new ATOM 339 N SER A 22 0.257 4.791 -5.175 1.00 0.00 N ATOM 340 CA SER A 22 1.602 4.803 -4.642 1.00 0.00 C ATOM 341 C SER A 22 2.380 3.554 -5.092 1.00 0.00 C ATOM 342 O SER A 22 3.515 3.657 -5.573 1.00 0.00 O ATOM 343 CB SER A 22 1.543 4.913 -3.124 1.00 0.00 C ATOM 344 OG SER A 22 0.768 6.060 -2.748 1.00 0.00 O ATOM 0 H SER A 22 -0.469 4.695 -4.465 1.00 0.00 H new ATOM 0 HA SER A 22 2.138 5.669 -5.031 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.101 4.010 -2.702 1.00 0.00 H new ATOM 0 HB3 SER A 22 2.551 4.995 -2.717 1.00 0.00 H new ATOM 0 HG SER A 22 -0.186 5.849 -2.824 1.00 0.00 H new ATOM 350 N GLY A 23 1.742 2.384 -5.003 1.00 0.00 N ATOM 351 CA GLY A 23 2.351 1.138 -5.423 1.00 0.00 C ATOM 352 C GLY A 23 2.638 1.128 -6.898 1.00 0.00 C ATOM 353 O GLY A 23 3.616 0.576 -7.335 1.00 0.00 O ATOM 0 H GLY A 23 0.795 2.283 -4.639 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.278 0.982 -4.871 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.689 0.308 -5.176 1.00 0.00 H new ATOM 357 N LYS A 24 1.758 1.759 -7.641 1.00 0.00 N ATOM 358 CA LYS A 24 1.892 1.887 -9.089 1.00 0.00 C ATOM 359 C LYS A 24 3.117 2.696 -9.474 1.00 0.00 C ATOM 360 O LYS A 24 3.749 2.426 -10.490 1.00 0.00 O ATOM 361 CB LYS A 24 0.654 2.533 -9.661 1.00 0.00 C ATOM 362 CG LYS A 24 -0.599 1.684 -9.575 1.00 0.00 C ATOM 363 CD LYS A 24 -0.674 0.595 -10.627 1.00 0.00 C ATOM 364 CE LYS A 24 -0.648 1.174 -12.026 1.00 0.00 C ATOM 365 NZ LYS A 24 -0.918 0.170 -13.070 1.00 0.00 N ATOM 0 H LYS A 24 0.921 2.203 -7.263 1.00 0.00 H new ATOM 0 HA LYS A 24 2.012 0.885 -9.501 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.476 3.473 -9.139 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.839 2.779 -10.707 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.649 1.226 -8.587 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.472 2.330 -9.671 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.162 -0.093 -10.501 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.587 0.016 -10.488 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.388 1.972 -12.097 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.327 1.626 -12.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.420 0.435 -13.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.584 -0.762 -12.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.941 0.127 -13.254 1.00 0.00 H new ATOM 379 N LYS A 25 3.453 3.683 -8.659 1.00 0.00 N ATOM 380 CA LYS A 25 4.591 4.539 -8.910 1.00 0.00 C ATOM 381 C LYS A 25 5.866 3.822 -8.562 1.00 0.00 C ATOM 382 O LYS A 25 6.881 3.919 -9.268 1.00 0.00 O ATOM 383 CB LYS A 25 4.481 5.806 -8.074 1.00 0.00 C ATOM 384 CG LYS A 25 3.273 6.674 -8.386 1.00 0.00 C ATOM 385 CD LYS A 25 3.196 7.887 -7.468 1.00 0.00 C ATOM 386 CE LYS A 25 4.420 8.764 -7.614 1.00 0.00 C ATOM 387 NZ LYS A 25 4.354 9.948 -6.770 1.00 0.00 N ATOM 0 H LYS A 25 2.942 3.910 -7.806 1.00 0.00 H new ATOM 0 HA LYS A 25 4.604 4.801 -9.968 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.448 5.527 -7.021 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.384 6.399 -8.219 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.322 7.006 -9.423 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.364 6.082 -8.283 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.302 8.465 -7.700 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.103 7.558 -6.433 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.310 8.188 -7.359 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.524 9.068 -8.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.214 10.518 -6.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.520 10.513 -7.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.281 9.660 -5.773 1.00 0.00 H new ATOM 401 N ARG A 26 5.810 3.106 -7.466 1.00 0.00 N ATOM 402 CA ARG A 26 6.961 2.417 -6.945 1.00 0.00 C ATOM 403 C ARG A 26 7.259 1.172 -7.746 1.00 0.00 C ATOM 404 O ARG A 26 8.386 0.910 -8.162 1.00 0.00 O ATOM 405 CB ARG A 26 6.738 1.972 -5.509 1.00 0.00 C ATOM 406 CG ARG A 26 6.524 3.034 -4.452 1.00 0.00 C ATOM 407 CD ARG A 26 6.442 2.312 -3.121 1.00 0.00 C ATOM 408 NE ARG A 26 6.405 3.148 -1.923 1.00 0.00 N ATOM 409 CZ ARG A 26 7.106 2.820 -0.813 1.00 0.00 C ATOM 410 NH1 ARG A 26 8.190 2.055 -0.917 1.00 0.00 N ATOM 411 NH2 ARG A 26 6.793 3.329 0.364 1.00 0.00 N ATOM 0 H ARG A 26 4.963 2.985 -6.911 1.00 0.00 H new ATOM 0 HA ARG A 26 7.789 3.123 -7.003 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.871 1.312 -5.497 1.00 0.00 H new ATOM 0 HB3 ARG A 26 7.598 1.374 -5.209 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.344 3.752 -4.453 1.00 0.00 H new ATOM 0 HG3 ARG A 26 5.609 3.594 -4.646 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.549 1.687 -3.127 1.00 0.00 H new ATOM 0 HD3 ARG A 26 7.299 1.643 -3.043 1.00 0.00 H new ATOM 0 HE ARG A 26 5.839 3.997 -1.924 1.00 0.00 H new ATOM 0 HH11 ARG A 26 8.490 1.718 -1.832 1.00 0.00 H new ATOM 0 HH12 ARG A 26 8.721 1.806 -0.082 1.00 0.00 H new ATOM 0 HH21 ARG A 26 6.012 3.980 0.447 1.00 0.00 H new ATOM 0 HH22 ARG A 26 7.332 3.071 1.191 1.00 0.00 H new ATOM 425 N GLY A 27 6.197 0.420 -7.949 1.00 0.00 N ATOM 426 CA GLY A 27 6.244 -0.866 -8.550 1.00 0.00 C ATOM 427 C GLY A 27 6.107 -1.900 -7.476 1.00 0.00 C ATOM 428 O GLY A 27 6.047 -3.105 -7.740 1.00 0.00 O ATOM 0 H GLY A 27 5.255 0.710 -7.686 1.00 0.00 H new ATOM 0 HA2 GLY A 27 5.443 -0.971 -9.281 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.184 -0.999 -9.086 1.00 0.00 H new ATOM 432 N VAL A 28 5.991 -1.428 -6.249 1.00 0.00 N ATOM 433 CA VAL A 28 6.006 -2.284 -5.122 1.00 0.00 C ATOM 434 C VAL A 28 5.353 -1.609 -3.919 1.00 0.00 C ATOM 435 O VAL A 28 5.194 -0.397 -3.904 1.00 0.00 O ATOM 436 CB VAL A 28 7.465 -2.663 -4.811 1.00 0.00 C ATOM 437 CG1 VAL A 28 8.290 -1.501 -4.290 1.00 0.00 C ATOM 438 CG2 VAL A 28 7.545 -3.828 -3.929 1.00 0.00 C ATOM 0 H VAL A 28 5.885 -0.438 -6.026 1.00 0.00 H new ATOM 0 HA VAL A 28 5.433 -3.185 -5.340 1.00 0.00 H new ATOM 0 HB VAL A 28 7.913 -2.940 -5.765 1.00 0.00 H new ATOM 0 HG11 VAL A 28 9.308 -1.837 -4.091 1.00 0.00 H new ATOM 0 HG12 VAL A 28 8.310 -0.706 -5.035 1.00 0.00 H new ATOM 0 HG13 VAL A 28 7.846 -1.124 -3.369 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.591 -4.065 -3.733 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.040 -3.608 -2.989 1.00 0.00 H new ATOM 0 HG23 VAL A 28 7.064 -4.681 -4.408 1.00 0.00 H new ATOM 448 N LEU A 29 4.920 -2.420 -2.986 1.00 0.00 N ATOM 449 CA LEU A 29 4.357 -1.996 -1.730 1.00 0.00 C ATOM 450 C LEU A 29 4.687 -3.033 -0.672 1.00 0.00 C ATOM 451 O LEU A 29 4.626 -4.219 -0.955 1.00 0.00 O ATOM 452 CB LEU A 29 2.834 -1.898 -1.823 1.00 0.00 C ATOM 453 CG LEU A 29 2.224 -0.706 -2.539 1.00 0.00 C ATOM 454 CD1 LEU A 29 0.724 -0.882 -2.629 1.00 0.00 C ATOM 455 CD2 LEU A 29 2.540 0.584 -1.808 1.00 0.00 C ATOM 0 H LEU A 29 4.952 -3.435 -3.086 1.00 0.00 H new ATOM 0 HA LEU A 29 4.771 -1.020 -1.478 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.474 -2.800 -2.317 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.439 -1.911 -0.807 1.00 0.00 H new ATOM 0 HG LEU A 29 2.651 -0.650 -3.540 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.287 -0.026 -3.143 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.497 -1.793 -3.184 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.305 -0.955 -1.625 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.092 1.423 -2.341 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.135 0.538 -0.797 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.620 0.720 -1.760 1.00 0.00 H new ATOM 467 N THR A 30 5.076 -2.614 0.502 1.00 0.00 N ATOM 468 CA THR A 30 5.275 -3.546 1.603 1.00 0.00 C ATOM 469 C THR A 30 3.936 -3.997 2.183 1.00 0.00 C ATOM 470 O THR A 30 3.012 -3.192 2.327 1.00 0.00 O ATOM 471 CB THR A 30 6.137 -2.957 2.756 1.00 0.00 C ATOM 472 OG1 THR A 30 5.655 -1.689 3.175 1.00 0.00 O ATOM 473 CG2 THR A 30 7.587 -2.859 2.393 1.00 0.00 C ATOM 0 H THR A 30 5.264 -1.638 0.730 1.00 0.00 H new ATOM 0 HA THR A 30 5.812 -4.393 1.176 1.00 0.00 H new ATOM 0 HB THR A 30 6.047 -3.657 3.587 1.00 0.00 H new ATOM 0 HG1 THR A 30 5.876 -1.015 2.498 1.00 0.00 H new ATOM 0 HG21 THR A 30 8.145 -2.442 3.232 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.971 -3.852 2.159 1.00 0.00 H new ATOM 0 HG23 THR A 30 7.701 -2.212 1.523 1.00 0.00 H new ATOM 481 N TYR A 31 3.842 -5.278 2.524 1.00 0.00 N ATOM 482 CA TYR A 31 2.646 -5.848 3.140 1.00 0.00 C ATOM 483 C TYR A 31 2.152 -5.031 4.344 1.00 0.00 C ATOM 484 O TYR A 31 0.947 -4.798 4.489 1.00 0.00 O ATOM 485 CB TYR A 31 2.871 -7.316 3.551 1.00 0.00 C ATOM 486 CG TYR A 31 2.835 -8.313 2.406 1.00 0.00 C ATOM 487 CD1 TYR A 31 3.999 -8.879 1.867 1.00 0.00 C ATOM 488 CD2 TYR A 31 1.614 -8.701 1.870 1.00 0.00 C ATOM 489 CE1 TYR A 31 3.919 -9.793 0.832 1.00 0.00 C ATOM 490 CE2 TYR A 31 1.535 -9.609 0.842 1.00 0.00 C ATOM 491 CZ TYR A 31 2.683 -10.152 0.325 1.00 0.00 C ATOM 492 OH TYR A 31 2.597 -11.056 -0.707 1.00 0.00 O ATOM 0 H TYR A 31 4.594 -5.953 2.381 1.00 0.00 H new ATOM 0 HA TYR A 31 1.867 -5.811 2.378 1.00 0.00 H new ATOM 0 HB2 TYR A 31 3.836 -7.394 4.051 1.00 0.00 H new ATOM 0 HB3 TYR A 31 2.110 -7.595 4.280 1.00 0.00 H new ATOM 0 HD1 TYR A 31 4.964 -8.599 2.263 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.704 -8.279 2.271 1.00 0.00 H new ATOM 0 HE1 TYR A 31 4.819 -10.225 0.421 1.00 0.00 H new ATOM 0 HE2 TYR A 31 0.573 -9.894 0.443 1.00 0.00 H new ATOM 0 HH TYR A 31 1.656 -11.197 -0.941 1.00 0.00 H new ATOM 502 N GLU A 32 3.079 -4.539 5.165 1.00 0.00 N ATOM 503 CA GLU A 32 2.685 -3.816 6.350 1.00 0.00 C ATOM 504 C GLU A 32 2.185 -2.400 6.036 1.00 0.00 C ATOM 505 O GLU A 32 1.301 -1.907 6.730 1.00 0.00 O ATOM 506 CB GLU A 32 3.777 -3.778 7.429 1.00 0.00 C ATOM 507 CG GLU A 32 3.249 -3.239 8.752 1.00 0.00 C ATOM 508 CD GLU A 32 4.280 -3.060 9.826 1.00 0.00 C ATOM 509 OE1 GLU A 32 4.883 -1.969 9.904 1.00 0.00 O ATOM 510 OE2 GLU A 32 4.467 -3.975 10.655 1.00 0.00 O ATOM 0 H GLU A 32 4.086 -4.630 5.027 1.00 0.00 H new ATOM 0 HA GLU A 32 1.849 -4.383 6.760 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.175 -4.782 7.579 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.604 -3.155 7.087 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.768 -2.278 8.568 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.478 -3.916 9.120 1.00 0.00 H new ATOM 517 N GLU A 33 2.684 -1.759 4.965 1.00 0.00 N ATOM 518 CA GLU A 33 2.242 -0.388 4.681 1.00 0.00 C ATOM 519 C GLU A 33 0.852 -0.450 4.094 1.00 0.00 C ATOM 520 O GLU A 33 0.027 0.452 4.286 1.00 0.00 O ATOM 521 CB GLU A 33 3.208 0.390 3.758 1.00 0.00 C ATOM 522 CG GLU A 33 3.176 -0.007 2.291 1.00 0.00 C ATOM 523 CD GLU A 33 4.248 0.676 1.488 1.00 0.00 C ATOM 524 OE1 GLU A 33 5.269 0.012 1.191 1.00 0.00 O ATOM 525 OE2 GLU A 33 4.091 1.878 1.161 1.00 0.00 O ATOM 0 H GLU A 33 3.362 -2.148 4.310 1.00 0.00 H new ATOM 0 HA GLU A 33 2.236 0.170 5.618 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.978 1.453 3.834 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.224 0.257 4.130 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.296 -1.087 2.207 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.200 0.239 1.872 1.00 0.00 H new ATOM 532 N ILE A 34 0.581 -1.557 3.423 1.00 0.00 N ATOM 533 CA ILE A 34 -0.718 -1.821 2.885 1.00 0.00 C ATOM 534 C ILE A 34 -1.694 -1.978 4.028 1.00 0.00 C ATOM 535 O ILE A 34 -2.763 -1.375 4.029 1.00 0.00 O ATOM 536 CB ILE A 34 -0.730 -3.082 2.001 1.00 0.00 C ATOM 537 CG1 ILE A 34 0.281 -2.927 0.872 1.00 0.00 C ATOM 538 CG2 ILE A 34 -2.123 -3.299 1.434 1.00 0.00 C ATOM 539 CD1 ILE A 34 0.439 -4.152 0.012 1.00 0.00 C ATOM 0 H ILE A 34 1.265 -2.291 3.242 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.007 -0.983 2.251 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.457 -3.949 2.603 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.021 -2.091 0.241 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.250 -2.670 1.300 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.126 -4.192 0.809 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.833 -3.425 2.251 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.410 -2.436 0.834 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.176 -3.957 -0.767 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.773 -4.988 0.627 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.518 -4.399 -0.448 1.00 0.00 H new ATOM 551 N ALA A 35 -1.282 -2.723 5.061 1.00 0.00 N ATOM 552 CA ALA A 35 -2.065 -2.951 6.247 1.00 0.00 C ATOM 553 C ALA A 35 -2.225 -1.666 7.049 1.00 0.00 C ATOM 554 O ALA A 35 -3.228 -1.455 7.706 1.00 0.00 O ATOM 555 CB ALA A 35 -1.434 -4.043 7.099 1.00 0.00 C ATOM 0 H ALA A 35 -0.374 -3.187 5.081 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.058 -3.282 5.942 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.039 -4.203 7.992 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.383 -4.968 6.525 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.428 -3.741 7.391 1.00 0.00 H new ATOM 561 N GLU A 36 -1.221 -0.801 6.945 1.00 0.00 N ATOM 562 CA GLU A 36 -1.100 0.416 7.731 1.00 0.00 C ATOM 563 C GLU A 36 -2.259 1.337 7.493 1.00 0.00 C ATOM 564 O GLU A 36 -2.961 1.715 8.423 1.00 0.00 O ATOM 565 CB GLU A 36 0.201 1.133 7.378 1.00 0.00 C ATOM 566 CG GLU A 36 0.431 2.431 8.118 1.00 0.00 C ATOM 567 CD GLU A 36 1.557 3.219 7.519 1.00 0.00 C ATOM 568 OE1 GLU A 36 2.674 3.205 8.058 1.00 0.00 O ATOM 569 OE2 GLU A 36 1.339 3.874 6.488 1.00 0.00 O ATOM 0 H GLU A 36 -0.449 -0.934 6.292 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.095 0.137 8.785 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.036 0.462 7.582 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.209 1.335 6.307 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.481 3.027 8.099 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.651 2.219 9.164 1.00 0.00 H new ATOM 576 N ARG A 37 -2.497 1.655 6.236 1.00 0.00 N ATOM 577 CA ARG A 37 -3.557 2.577 5.862 1.00 0.00 C ATOM 578 C ARG A 37 -4.911 1.919 6.108 1.00 0.00 C ATOM 579 O ARG A 37 -5.907 2.580 6.376 1.00 0.00 O ATOM 580 CB ARG A 37 -3.415 2.926 4.377 1.00 0.00 C ATOM 581 CG ARG A 37 -2.012 3.337 3.953 1.00 0.00 C ATOM 582 CD ARG A 37 -1.568 4.641 4.578 1.00 0.00 C ATOM 583 NE ARG A 37 -0.135 4.835 4.411 1.00 0.00 N ATOM 584 CZ ARG A 37 0.455 5.708 3.599 1.00 0.00 C ATOM 585 NH1 ARG A 37 -0.251 6.587 2.886 1.00 0.00 N ATOM 586 NH2 ARG A 37 1.759 5.714 3.512 1.00 0.00 N ATOM 0 H ARG A 37 -1.966 1.285 5.447 1.00 0.00 H new ATOM 0 HA ARG A 37 -3.486 3.486 6.459 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.722 2.064 3.784 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -4.104 3.737 4.141 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.309 2.550 4.228 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -1.978 3.430 2.867 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -2.107 5.470 4.120 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.818 4.644 5.639 1.00 0.00 H new ATOM 0 HE ARG A 37 0.477 4.243 4.972 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -1.269 6.601 2.956 1.00 0.00 H new ATOM 0 HH12 ARG A 37 0.227 7.246 2.271 1.00 0.00 H new ATOM 0 HH21 ARG A 37 2.310 5.055 4.062 1.00 0.00 H new ATOM 0 HH22 ARG A 37 2.226 6.377 2.894 1.00 0.00 H new ATOM 600 N MET A 38 -4.913 0.604 6.066 1.00 0.00 N ATOM 601 CA MET A 38 -6.123 -0.167 6.246 1.00 0.00 C ATOM 602 C MET A 38 -6.427 -0.412 7.724 1.00 0.00 C ATOM 603 O MET A 38 -7.508 -0.898 8.063 1.00 0.00 O ATOM 604 CB MET A 38 -6.030 -1.505 5.525 1.00 0.00 C ATOM 605 CG MET A 38 -5.843 -1.421 4.018 1.00 0.00 C ATOM 606 SD MET A 38 -7.206 -0.598 3.170 1.00 0.00 S ATOM 607 CE MET A 38 -6.765 -0.928 1.470 1.00 0.00 C ATOM 0 H MET A 38 -4.078 0.041 5.906 1.00 0.00 H new ATOM 0 HA MET A 38 -6.935 0.421 5.818 1.00 0.00 H new ATOM 0 HB2 MET A 38 -5.198 -2.069 5.947 1.00 0.00 H new ATOM 0 HB3 MET A 38 -6.937 -2.073 5.731 1.00 0.00 H new ATOM 0 HG2 MET A 38 -4.917 -0.888 3.804 1.00 0.00 H new ATOM 0 HG3 MET A 38 -5.731 -2.428 3.617 1.00 0.00 H new ATOM 0 HE1 MET A 38 -7.014 -0.063 0.855 1.00 0.00 H new ATOM 0 HE2 MET A 38 -5.695 -1.125 1.403 1.00 0.00 H new ATOM 0 HE3 MET A 38 -7.317 -1.798 1.113 1.00 0.00 H new ATOM 617 N SER A 39 -5.505 -0.022 8.607 1.00 0.00 N ATOM 618 CA SER A 39 -5.650 -0.265 10.048 1.00 0.00 C ATOM 619 C SER A 39 -6.794 0.547 10.662 1.00 0.00 C ATOM 620 O SER A 39 -7.212 0.289 11.782 1.00 0.00 O ATOM 621 CB SER A 39 -4.339 0.014 10.778 1.00 0.00 C ATOM 622 OG SER A 39 -3.292 -0.826 10.292 1.00 0.00 O ATOM 0 H SER A 39 -4.646 0.465 8.350 1.00 0.00 H new ATOM 0 HA SER A 39 -5.903 -1.318 10.170 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.061 1.060 10.646 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.473 -0.148 11.848 1.00 0.00 H new ATOM 0 HG SER A 39 -3.270 -0.788 9.313 1.00 0.00 H new ATOM 628 N SER A 40 -7.276 1.524 9.924 1.00 0.00 N ATOM 629 CA SER A 40 -8.402 2.310 10.343 1.00 0.00 C ATOM 630 C SER A 40 -9.694 1.477 10.158 1.00 0.00 C ATOM 631 O SER A 40 -10.635 1.568 10.956 1.00 0.00 O ATOM 632 CB SER A 40 -8.446 3.610 9.507 1.00 0.00 C ATOM 633 OG SER A 40 -9.495 4.479 9.905 1.00 0.00 O ATOM 0 H SER A 40 -6.893 1.791 9.017 1.00 0.00 H new ATOM 0 HA SER A 40 -8.315 2.580 11.395 1.00 0.00 H new ATOM 0 HB2 SER A 40 -7.493 4.130 9.601 1.00 0.00 H new ATOM 0 HB3 SER A 40 -8.569 3.357 8.454 1.00 0.00 H new ATOM 0 HG SER A 40 -9.480 5.286 9.349 1.00 0.00 H new ATOM 639 N PHE A 41 -9.692 0.636 9.129 1.00 0.00 N ATOM 640 CA PHE A 41 -10.845 -0.186 8.769 1.00 0.00 C ATOM 641 C PHE A 41 -10.826 -1.507 9.479 1.00 0.00 C ATOM 642 O PHE A 41 -11.857 -1.965 9.981 1.00 0.00 O ATOM 643 CB PHE A 41 -10.826 -0.444 7.267 1.00 0.00 C ATOM 644 CG PHE A 41 -10.747 0.808 6.484 1.00 0.00 C ATOM 645 CD1 PHE A 41 -9.644 1.061 5.708 1.00 0.00 C ATOM 646 CD2 PHE A 41 -11.743 1.765 6.571 1.00 0.00 C ATOM 647 CE1 PHE A 41 -9.524 2.233 5.028 1.00 0.00 C ATOM 648 CE2 PHE A 41 -11.634 2.944 5.883 1.00 0.00 C ATOM 649 CZ PHE A 41 -10.517 3.178 5.112 1.00 0.00 C ATOM 0 H PHE A 41 -8.887 0.504 8.517 1.00 0.00 H new ATOM 0 HA PHE A 41 -11.746 0.353 9.063 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -9.975 -1.079 7.020 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -11.725 -0.991 6.983 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -8.861 0.320 5.636 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -12.612 1.581 7.185 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -8.649 2.420 4.423 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -12.418 3.685 5.944 1.00 0.00 H new ATOM 0 HZ PHE A 41 -10.422 4.108 4.571 1.00 0.00 H new ATOM 659 N GLU A 42 -9.646 -2.105 9.510 1.00 0.00 N ATOM 660 CA GLU A 42 -9.431 -3.443 10.040 1.00 0.00 C ATOM 661 C GLU A 42 -10.233 -4.430 9.203 1.00 0.00 C ATOM 662 O GLU A 42 -11.360 -4.832 9.533 1.00 0.00 O ATOM 663 CB GLU A 42 -9.722 -3.527 11.539 1.00 0.00 C ATOM 664 CG GLU A 42 -8.889 -2.536 12.330 1.00 0.00 C ATOM 665 CD GLU A 42 -9.142 -2.580 13.795 1.00 0.00 C ATOM 666 OE1 GLU A 42 -8.385 -3.254 14.510 1.00 0.00 O ATOM 667 OE2 GLU A 42 -10.092 -1.913 14.265 1.00 0.00 O ATOM 0 H GLU A 42 -8.794 -1.666 9.161 1.00 0.00 H new ATOM 0 HA GLU A 42 -8.376 -3.707 9.959 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.780 -3.335 11.715 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -9.518 -4.538 11.893 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.833 -2.734 12.146 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -9.093 -1.530 11.965 1.00 0.00 H new ATOM 674 N ILE A 43 -9.668 -4.727 8.073 1.00 0.00 N ATOM 675 CA ILE A 43 -10.304 -5.493 7.034 1.00 0.00 C ATOM 676 C ILE A 43 -10.100 -6.987 7.272 1.00 0.00 C ATOM 677 O ILE A 43 -9.155 -7.393 7.953 1.00 0.00 O ATOM 678 CB ILE A 43 -9.646 -5.143 5.695 1.00 0.00 C ATOM 679 CG1 ILE A 43 -9.541 -3.676 5.495 1.00 0.00 C ATOM 680 CG2 ILE A 43 -10.434 -5.692 4.554 1.00 0.00 C ATOM 681 CD1 ILE A 43 -8.652 -3.414 4.358 1.00 0.00 C ATOM 0 H ILE A 43 -8.720 -4.435 7.836 1.00 0.00 H new ATOM 0 HA ILE A 43 -11.369 -5.262 7.030 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.649 -5.583 5.724 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -10.527 -3.249 5.309 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -9.152 -3.200 6.395 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -9.946 -5.430 3.615 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -10.493 -6.777 4.641 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -11.439 -5.271 4.570 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -8.568 -2.338 4.202 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -7.665 -3.829 4.564 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -9.061 -3.880 3.461 1.00 0.00 H new ATOM 693 N GLU A 44 -10.992 -7.782 6.730 1.00 0.00 N ATOM 694 CA GLU A 44 -10.878 -9.222 6.734 1.00 0.00 C ATOM 695 C GLU A 44 -9.700 -9.628 5.832 1.00 0.00 C ATOM 696 O GLU A 44 -9.347 -8.890 4.886 1.00 0.00 O ATOM 697 CB GLU A 44 -12.158 -9.810 6.153 1.00 0.00 C ATOM 698 CG GLU A 44 -13.417 -9.450 6.916 1.00 0.00 C ATOM 699 CD GLU A 44 -13.504 -10.100 8.267 1.00 0.00 C ATOM 700 OE1 GLU A 44 -14.016 -11.231 8.350 1.00 0.00 O ATOM 701 OE2 GLU A 44 -13.109 -9.480 9.279 1.00 0.00 O ATOM 0 H GLU A 44 -11.833 -7.440 6.265 1.00 0.00 H new ATOM 0 HA GLU A 44 -10.718 -9.585 7.749 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -12.263 -9.471 5.122 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -12.064 -10.896 6.124 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -13.461 -8.368 7.039 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -14.286 -9.740 6.325 1.00 0.00 H new ATOM 708 N SER A 45 -9.129 -10.800 6.084 1.00 0.00 N ATOM 709 CA SER A 45 -8.013 -11.318 5.292 1.00 0.00 C ATOM 710 C SER A 45 -8.453 -11.492 3.835 1.00 0.00 C ATOM 711 O SER A 45 -7.667 -11.303 2.900 1.00 0.00 O ATOM 712 CB SER A 45 -7.544 -12.666 5.873 1.00 0.00 C ATOM 713 OG SER A 45 -6.439 -13.193 5.159 1.00 0.00 O ATOM 0 H SER A 45 -9.423 -11.418 6.840 1.00 0.00 H new ATOM 0 HA SER A 45 -7.183 -10.612 5.329 1.00 0.00 H new ATOM 0 HB2 SER A 45 -7.271 -12.535 6.920 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.368 -13.379 5.846 1.00 0.00 H new ATOM 0 HG SER A 45 -6.169 -14.047 5.557 1.00 0.00 H new ATOM 719 N ASP A 46 -9.743 -11.776 3.674 1.00 0.00 N ATOM 720 CA ASP A 46 -10.389 -11.993 2.385 1.00 0.00 C ATOM 721 C ASP A 46 -10.134 -10.834 1.452 1.00 0.00 C ATOM 722 O ASP A 46 -9.592 -11.003 0.362 1.00 0.00 O ATOM 723 CB ASP A 46 -11.903 -12.138 2.582 1.00 0.00 C ATOM 724 CG ASP A 46 -12.298 -13.346 3.388 1.00 0.00 C ATOM 725 OD1 ASP A 46 -12.823 -14.311 2.810 1.00 0.00 O ATOM 726 OD2 ASP A 46 -12.084 -13.355 4.629 1.00 0.00 O ATOM 0 H ASP A 46 -10.386 -11.864 4.461 1.00 0.00 H new ATOM 0 HA ASP A 46 -9.974 -12.902 1.949 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -12.283 -11.243 3.075 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -12.384 -12.192 1.605 1.00 0.00 H new ATOM 731 N GLN A 47 -10.469 -9.640 1.916 1.00 0.00 N ATOM 732 CA GLN A 47 -10.342 -8.451 1.102 1.00 0.00 C ATOM 733 C GLN A 47 -8.894 -8.096 0.895 1.00 0.00 C ATOM 734 O GLN A 47 -8.533 -7.537 -0.123 1.00 0.00 O ATOM 735 CB GLN A 47 -10.998 -7.286 1.744 1.00 0.00 C ATOM 736 CG GLN A 47 -12.380 -7.548 2.234 1.00 0.00 C ATOM 737 CD GLN A 47 -13.290 -6.415 1.911 1.00 0.00 C ATOM 738 OE1 GLN A 47 -13.137 -5.752 0.885 1.00 0.00 O ATOM 739 NE2 GLN A 47 -14.198 -6.151 2.763 1.00 0.00 N ATOM 0 H GLN A 47 -10.831 -9.473 2.855 1.00 0.00 H new ATOM 0 HA GLN A 47 -10.822 -8.673 0.149 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -10.385 -6.957 2.583 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -11.029 -6.463 1.030 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -12.761 -8.464 1.782 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -12.362 -7.708 3.312 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -14.293 -6.724 3.601 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -14.831 -5.366 2.607 1.00 0.00 H new ATOM 748 N MET A 48 -8.059 -8.415 1.884 1.00 0.00 N ATOM 749 CA MET A 48 -6.635 -8.129 1.784 1.00 0.00 C ATOM 750 C MET A 48 -6.022 -8.886 0.643 1.00 0.00 C ATOM 751 O MET A 48 -5.370 -8.299 -0.201 1.00 0.00 O ATOM 752 CB MET A 48 -5.873 -8.425 3.083 1.00 0.00 C ATOM 753 CG MET A 48 -6.081 -7.430 4.223 1.00 0.00 C ATOM 754 SD MET A 48 -5.046 -5.914 4.126 1.00 0.00 S ATOM 755 CE MET A 48 -5.597 -5.103 2.620 1.00 0.00 C ATOM 0 H MET A 48 -8.344 -8.867 2.753 1.00 0.00 H new ATOM 0 HA MET A 48 -6.548 -7.058 1.599 1.00 0.00 H new ATOM 0 HB2 MET A 48 -6.164 -9.415 3.434 1.00 0.00 H new ATOM 0 HB3 MET A 48 -4.808 -8.468 2.854 1.00 0.00 H new ATOM 0 HG2 MET A 48 -7.130 -7.135 4.242 1.00 0.00 H new ATOM 0 HG3 MET A 48 -5.874 -7.933 5.167 1.00 0.00 H new ATOM 0 HE1 MET A 48 -5.097 -4.139 2.522 1.00 0.00 H new ATOM 0 HE2 MET A 48 -5.353 -5.727 1.760 1.00 0.00 H new ATOM 0 HE3 MET A 48 -6.675 -4.950 2.663 1.00 0.00 H new ATOM 765 N ASP A 49 -6.274 -10.180 0.601 1.00 0.00 N ATOM 766 CA ASP A 49 -5.745 -11.051 -0.464 1.00 0.00 C ATOM 767 C ASP A 49 -6.333 -10.651 -1.795 1.00 0.00 C ATOM 768 O ASP A 49 -5.639 -10.638 -2.823 1.00 0.00 O ATOM 769 CB ASP A 49 -6.080 -12.503 -0.168 1.00 0.00 C ATOM 770 CG ASP A 49 -5.509 -13.457 -1.186 1.00 0.00 C ATOM 771 OD1 ASP A 49 -6.226 -13.846 -2.111 1.00 0.00 O ATOM 772 OD2 ASP A 49 -4.328 -13.835 -1.071 1.00 0.00 O ATOM 0 H ASP A 49 -6.845 -10.667 1.292 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.661 -10.939 -0.504 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.700 -12.764 0.820 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -7.163 -12.621 -0.135 1.00 0.00 H new ATOM 777 N GLU A 50 -7.607 -10.288 -1.766 1.00 0.00 N ATOM 778 CA GLU A 50 -8.307 -9.810 -2.940 1.00 0.00 C ATOM 779 C GLU A 50 -7.581 -8.558 -3.479 1.00 0.00 C ATOM 780 O GLU A 50 -7.326 -8.425 -4.690 1.00 0.00 O ATOM 781 CB GLU A 50 -9.755 -9.455 -2.569 1.00 0.00 C ATOM 782 CG GLU A 50 -10.642 -9.036 -3.731 1.00 0.00 C ATOM 783 CD GLU A 50 -10.965 -10.173 -4.667 1.00 0.00 C ATOM 784 OE1 GLU A 50 -10.193 -10.429 -5.611 1.00 0.00 O ATOM 785 OE2 GLU A 50 -12.017 -10.817 -4.491 1.00 0.00 O ATOM 0 H GLU A 50 -8.182 -10.318 -0.924 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.319 -10.585 -3.706 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -10.209 -10.317 -2.080 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.737 -8.647 -1.838 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -11.571 -8.620 -3.340 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -10.147 -8.242 -4.290 1.00 0.00 H new ATOM 792 N TYR A 51 -7.203 -7.684 -2.550 1.00 0.00 N ATOM 793 CA TYR A 51 -6.510 -6.458 -2.864 1.00 0.00 C ATOM 794 C TYR A 51 -5.094 -6.771 -3.340 1.00 0.00 C ATOM 795 O TYR A 51 -4.602 -6.123 -4.253 1.00 0.00 O ATOM 796 CB TYR A 51 -6.514 -5.500 -1.673 1.00 0.00 C ATOM 797 CG TYR A 51 -5.915 -4.154 -1.982 1.00 0.00 C ATOM 798 CD1 TYR A 51 -4.976 -3.580 -1.140 1.00 0.00 C ATOM 799 CD2 TYR A 51 -6.273 -3.464 -3.136 1.00 0.00 C ATOM 800 CE1 TYR A 51 -4.414 -2.357 -1.438 1.00 0.00 C ATOM 801 CE2 TYR A 51 -5.716 -2.246 -3.429 1.00 0.00 C ATOM 802 CZ TYR A 51 -4.792 -1.699 -2.582 1.00 0.00 C ATOM 803 OH TYR A 51 -4.221 -0.504 -2.890 1.00 0.00 O ATOM 0 H TYR A 51 -7.375 -7.816 -1.553 1.00 0.00 H new ATOM 0 HA TYR A 51 -7.036 -5.952 -3.674 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -7.540 -5.362 -1.331 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -5.962 -5.954 -0.850 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -4.681 -4.097 -0.239 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -6.999 -3.894 -3.810 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -3.681 -1.920 -0.776 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -6.006 -1.720 -4.326 1.00 0.00 H new ATOM 0 HH TYR A 51 -4.880 0.212 -2.777 1.00 0.00 H new ATOM 813 N TYR A 52 -4.432 -7.755 -2.734 1.00 0.00 N ATOM 814 CA TYR A 52 -3.067 -8.113 -3.112 1.00 0.00 C ATOM 815 C TYR A 52 -3.013 -8.573 -4.555 1.00 0.00 C ATOM 816 O TYR A 52 -2.161 -8.140 -5.332 1.00 0.00 O ATOM 817 CB TYR A 52 -2.440 -9.167 -2.157 1.00 0.00 C ATOM 818 CG TYR A 52 -2.268 -8.682 -0.715 1.00 0.00 C ATOM 819 CD1 TYR A 52 -2.559 -9.507 0.371 1.00 0.00 C ATOM 820 CD2 TYR A 52 -1.845 -7.385 -0.445 1.00 0.00 C ATOM 821 CE1 TYR A 52 -2.429 -9.048 1.672 1.00 0.00 C ATOM 822 CE2 TYR A 52 -1.712 -6.933 0.847 1.00 0.00 C ATOM 823 CZ TYR A 52 -2.004 -7.761 1.901 1.00 0.00 C ATOM 824 OH TYR A 52 -1.878 -7.295 3.197 1.00 0.00 O ATOM 0 H TYR A 52 -4.820 -8.319 -1.978 1.00 0.00 H new ATOM 0 HA TYR A 52 -2.461 -7.212 -3.015 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -3.067 -10.059 -2.156 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.466 -9.462 -2.548 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -2.891 -10.520 0.195 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.617 -6.720 -1.265 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -2.661 -9.699 2.502 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.377 -5.923 1.032 1.00 0.00 H new ATOM 0 HH TYR A 52 -2.733 -6.921 3.495 1.00 0.00 H new ATOM 834 N GLU A 53 -3.977 -9.407 -4.916 1.00 0.00 N ATOM 835 CA GLU A 53 -4.118 -9.905 -6.266 1.00 0.00 C ATOM 836 C GLU A 53 -4.451 -8.740 -7.211 1.00 0.00 C ATOM 837 O GLU A 53 -3.919 -8.652 -8.312 1.00 0.00 O ATOM 838 CB GLU A 53 -5.232 -10.951 -6.288 1.00 0.00 C ATOM 839 CG GLU A 53 -5.418 -11.659 -7.611 1.00 0.00 C ATOM 840 CD GLU A 53 -4.231 -12.487 -7.990 1.00 0.00 C ATOM 841 OE1 GLU A 53 -3.358 -12.003 -8.708 1.00 0.00 O ATOM 842 OE2 GLU A 53 -4.145 -13.659 -7.557 1.00 0.00 O ATOM 0 H GLU A 53 -4.686 -9.757 -4.271 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.187 -10.364 -6.600 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.025 -11.696 -5.520 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.170 -10.466 -6.017 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.300 -12.297 -7.557 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.606 -10.921 -8.391 1.00 0.00 H new ATOM 849 N PHE A 54 -5.306 -7.831 -6.738 1.00 0.00 N ATOM 850 CA PHE A 54 -5.682 -6.647 -7.485 1.00 0.00 C ATOM 851 C PHE A 54 -4.447 -5.814 -7.811 1.00 0.00 C ATOM 852 O PHE A 54 -4.222 -5.438 -8.967 1.00 0.00 O ATOM 853 CB PHE A 54 -6.711 -5.824 -6.681 1.00 0.00 C ATOM 854 CG PHE A 54 -6.921 -4.432 -7.193 1.00 0.00 C ATOM 855 CD1 PHE A 54 -7.792 -4.167 -8.230 1.00 0.00 C ATOM 856 CD2 PHE A 54 -6.218 -3.391 -6.630 1.00 0.00 C ATOM 857 CE1 PHE A 54 -7.948 -2.877 -8.693 1.00 0.00 C ATOM 858 CE2 PHE A 54 -6.369 -2.113 -7.079 1.00 0.00 C ATOM 859 CZ PHE A 54 -7.228 -1.851 -8.108 1.00 0.00 C ATOM 0 H PHE A 54 -5.753 -7.903 -5.824 1.00 0.00 H new ATOM 0 HA PHE A 54 -6.143 -6.948 -8.426 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -7.666 -6.350 -6.689 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -6.385 -5.771 -5.642 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -8.353 -4.972 -8.681 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -5.535 -3.591 -5.818 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -8.627 -2.670 -9.506 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.811 -1.309 -6.622 1.00 0.00 H new ATOM 0 HZ PHE A 54 -7.346 -0.839 -8.466 1.00 0.00 H new ATOM 869 N LEU A 55 -3.659 -5.534 -6.787 1.00 0.00 N ATOM 870 CA LEU A 55 -2.426 -4.781 -6.925 1.00 0.00 C ATOM 871 C LEU A 55 -1.485 -5.450 -7.917 1.00 0.00 C ATOM 872 O LEU A 55 -0.851 -4.785 -8.755 1.00 0.00 O ATOM 873 CB LEU A 55 -1.749 -4.616 -5.572 1.00 0.00 C ATOM 874 CG LEU A 55 -2.434 -3.674 -4.597 1.00 0.00 C ATOM 875 CD1 LEU A 55 -1.758 -3.738 -3.245 1.00 0.00 C ATOM 876 CD2 LEU A 55 -2.396 -2.250 -5.133 1.00 0.00 C ATOM 0 H LEU A 55 -3.859 -5.825 -5.830 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.674 -3.793 -7.312 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.671 -5.598 -5.105 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.732 -4.260 -5.737 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.474 -3.982 -4.484 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.258 -3.058 -2.555 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.815 -4.755 -2.857 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.713 -3.447 -3.347 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.890 -1.582 -4.427 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.360 -1.938 -5.264 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.911 -2.209 -6.093 1.00 0.00 H new ATOM 888 N GLY A 56 -1.429 -6.772 -7.806 1.00 0.00 N ATOM 889 CA GLY A 56 -0.632 -7.582 -8.700 1.00 0.00 C ATOM 890 C GLY A 56 -1.078 -7.430 -10.133 1.00 0.00 C ATOM 891 O GLY A 56 -0.245 -7.370 -11.038 1.00 0.00 O ATOM 0 H GLY A 56 -1.934 -7.303 -7.097 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.417 -7.297 -8.613 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.704 -8.629 -8.405 1.00 0.00 H new ATOM 895 N GLU A 57 -2.385 -7.368 -10.347 1.00 0.00 N ATOM 896 CA GLU A 57 -2.928 -7.152 -11.651 1.00 0.00 C ATOM 897 C GLU A 57 -2.568 -5.787 -12.198 1.00 0.00 C ATOM 898 O GLU A 57 -2.347 -5.627 -13.395 1.00 0.00 O ATOM 899 CB GLU A 57 -4.429 -7.283 -11.650 1.00 0.00 C ATOM 900 CG GLU A 57 -4.969 -8.670 -11.427 1.00 0.00 C ATOM 901 CD GLU A 57 -6.427 -8.734 -11.766 1.00 0.00 C ATOM 902 OE1 GLU A 57 -7.276 -8.668 -10.862 1.00 0.00 O ATOM 903 OE2 GLU A 57 -6.751 -8.820 -12.966 1.00 0.00 O ATOM 0 H GLU A 57 -3.086 -7.468 -9.612 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.490 -7.919 -12.289 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.831 -6.629 -10.876 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -4.807 -6.916 -12.604 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.417 -9.383 -12.039 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.820 -8.960 -10.387 1.00 0.00 H new ATOM 910 N GLN A 58 -2.511 -4.787 -11.325 1.00 0.00 N ATOM 911 CA GLN A 58 -2.271 -3.428 -11.760 1.00 0.00 C ATOM 912 C GLN A 58 -0.795 -3.249 -12.101 1.00 0.00 C ATOM 913 O GLN A 58 -0.460 -2.673 -13.136 1.00 0.00 O ATOM 914 CB GLN A 58 -2.657 -2.430 -10.661 1.00 0.00 C ATOM 915 CG GLN A 58 -4.068 -2.563 -10.084 1.00 0.00 C ATOM 916 CD GLN A 58 -5.171 -2.529 -11.124 1.00 0.00 C ATOM 917 OE1 GLN A 58 -5.660 -1.465 -11.491 1.00 0.00 O ATOM 918 NE2 GLN A 58 -5.616 -3.685 -11.543 1.00 0.00 N ATOM 0 H GLN A 58 -2.628 -4.897 -10.318 1.00 0.00 H new ATOM 0 HA GLN A 58 -2.882 -3.238 -12.642 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.943 -2.530 -9.843 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.545 -1.422 -11.061 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.135 -3.499 -9.530 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -4.233 -1.757 -9.369 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -5.182 -4.548 -11.214 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -6.397 -3.724 -12.198 1.00 0.00 H new ATOM 927 N GLY A 59 0.063 -3.686 -11.220 1.00 0.00 N ATOM 928 CA GLY A 59 1.484 -3.630 -11.480 1.00 0.00 C ATOM 929 C GLY A 59 2.261 -3.306 -10.238 1.00 0.00 C ATOM 930 O GLY A 59 3.155 -2.463 -10.250 1.00 0.00 O ATOM 0 H GLY A 59 -0.192 -4.085 -10.316 1.00 0.00 H new ATOM 0 HA2 GLY A 59 1.819 -4.587 -11.880 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.685 -2.878 -12.242 1.00 0.00 H new ATOM 934 N VAL A 60 1.900 -3.945 -9.148 1.00 0.00 N ATOM 935 CA VAL A 60 2.548 -3.705 -7.886 1.00 0.00 C ATOM 936 C VAL A 60 2.953 -5.030 -7.278 1.00 0.00 C ATOM 937 O VAL A 60 2.161 -5.973 -7.259 1.00 0.00 O ATOM 938 CB VAL A 60 1.603 -2.994 -6.874 1.00 0.00 C ATOM 939 CG1 VAL A 60 2.362 -2.589 -5.632 1.00 0.00 C ATOM 940 CG2 VAL A 60 0.875 -1.801 -7.496 1.00 0.00 C ATOM 0 H VAL A 60 1.154 -4.640 -9.115 1.00 0.00 H new ATOM 0 HA VAL A 60 3.410 -3.066 -8.077 1.00 0.00 H new ATOM 0 HB VAL A 60 0.834 -3.712 -6.589 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.684 -2.094 -4.937 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.784 -3.475 -5.158 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.166 -1.905 -5.904 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.229 -1.340 -6.749 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.605 -1.071 -7.845 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.272 -2.141 -8.338 1.00 0.00 H new ATOM 950 N GLU A 61 4.173 -5.115 -6.839 1.00 0.00 N ATOM 951 CA GLU A 61 4.650 -6.275 -6.120 1.00 0.00 C ATOM 952 C GLU A 61 4.491 -6.017 -4.653 1.00 0.00 C ATOM 953 O GLU A 61 4.723 -4.905 -4.201 1.00 0.00 O ATOM 954 CB GLU A 61 6.110 -6.505 -6.421 1.00 0.00 C ATOM 955 CG GLU A 61 6.369 -6.899 -7.834 1.00 0.00 C ATOM 956 CD GLU A 61 7.835 -6.991 -8.133 1.00 0.00 C ATOM 957 OE1 GLU A 61 8.500 -7.936 -7.662 1.00 0.00 O ATOM 958 OE2 GLU A 61 8.346 -6.131 -8.880 1.00 0.00 O ATOM 0 H GLU A 61 4.873 -4.384 -6.966 1.00 0.00 H new ATOM 0 HA GLU A 61 4.081 -7.154 -6.422 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.667 -5.595 -6.198 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.491 -7.283 -5.759 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.897 -7.861 -8.034 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.908 -6.173 -8.503 1.00 0.00 H new ATOM 965 N LEU A 62 4.060 -6.980 -3.912 1.00 0.00 N ATOM 966 CA LEU A 62 3.936 -6.779 -2.511 1.00 0.00 C ATOM 967 C LEU A 62 5.136 -7.387 -1.800 1.00 0.00 C ATOM 968 O LEU A 62 5.317 -8.598 -1.792 1.00 0.00 O ATOM 969 CB LEU A 62 2.611 -7.329 -1.971 1.00 0.00 C ATOM 970 CG LEU A 62 1.316 -6.891 -2.702 1.00 0.00 C ATOM 971 CD1 LEU A 62 1.356 -5.466 -3.227 1.00 0.00 C ATOM 972 CD2 LEU A 62 0.856 -7.890 -3.749 1.00 0.00 C ATOM 0 H LEU A 62 3.790 -7.904 -4.249 1.00 0.00 H new ATOM 0 HA LEU A 62 3.922 -5.707 -2.313 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.662 -8.418 -1.995 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.524 -7.037 -0.925 1.00 0.00 H new ATOM 0 HG LEU A 62 0.549 -6.888 -1.928 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.414 -5.235 -3.725 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.506 -4.776 -2.396 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.177 -5.363 -3.937 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.055 -7.525 -4.224 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.635 -8.012 -4.502 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.657 -8.850 -3.273 1.00 0.00 H new ATOM 984 N ILE A 63 5.978 -6.537 -1.262 1.00 0.00 N ATOM 985 CA ILE A 63 7.181 -6.974 -0.578 1.00 0.00 C ATOM 986 C ILE A 63 7.010 -7.146 0.890 1.00 0.00 C ATOM 987 O ILE A 63 6.085 -6.621 1.519 1.00 0.00 O ATOM 988 CB ILE A 63 8.378 -6.060 -0.779 1.00 0.00 C ATOM 989 CG1 ILE A 63 7.997 -4.607 -0.536 1.00 0.00 C ATOM 990 CG2 ILE A 63 8.998 -6.284 -2.118 1.00 0.00 C ATOM 991 CD1 ILE A 63 9.119 -3.624 -0.698 1.00 0.00 C ATOM 0 H ILE A 63 5.853 -5.525 -1.284 1.00 0.00 H new ATOM 0 HA ILE A 63 7.372 -7.939 -1.048 1.00 0.00 H new ATOM 0 HB ILE A 63 9.139 -6.308 -0.039 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.195 -4.337 -1.223 1.00 0.00 H new ATOM 0 HG13 ILE A 63 7.596 -4.516 0.474 1.00 0.00 H new ATOM 0 HG21 ILE A 63 9.853 -5.619 -2.239 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.330 -7.319 -2.197 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.265 -6.078 -2.898 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.751 -2.616 -0.505 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.915 -3.861 0.008 1.00 0.00 H new ATOM 0 HD13 ILE A 63 9.507 -3.680 -1.715 1.00 0.00 H new