USER MOD reduce.3.24.130724 H: found=0, std=0, add=423, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 423 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 14 TYR OH : rot 7:sc=0.000778 USER MOD Set 1.2: A 50 GLN : amide:sc=-0.00776 X(o=-0.007,f=-0.27) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= 0.22 K(o=0.22,f=-2.3!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -1.88 K(o=-1.9,f=-6.9!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.875 USER MOD Single : A 34 LYS NZ :NH3+ -128:sc= -0.0628 (180deg=-0.934) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 73:sc= 1.3 USER MOD Single : A 44 THR OG1 : rot -59:sc= -1.74! USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 75:sc= 0.577 USER MOD Single : A 56 GLN : amide:sc= -5.66! C(o=-5.7!,f=-10!) USER MOD Single : A 57 ASN : amide:sc= 0.0291 X(o=0.029,f=0) USER MOD ----------------------------------------------------------------- ATOM 177 N PRO A 13 -8.975 0.662 5.798 1.00 0.00 N ATOM 178 CA PRO A 13 -8.514 2.046 5.943 1.00 0.00 C ATOM 179 C PRO A 13 -7.791 2.549 4.698 1.00 0.00 C ATOM 180 O PRO A 13 -7.790 1.889 3.659 1.00 0.00 O ATOM 181 CB PRO A 13 -7.550 1.976 7.129 1.00 0.00 C ATOM 182 CG PRO A 13 -7.033 0.579 7.117 1.00 0.00 C ATOM 183 CD PRO A 13 -8.072 -0.297 6.457 1.00 0.00 C ATOM 0 HA PRO A 13 -9.343 2.739 6.090 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -6.740 2.698 7.024 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -8.059 2.202 8.066 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -6.089 0.526 6.574 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -6.836 0.237 8.133 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -7.620 -0.980 5.738 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -8.602 -0.908 7.187 1.00 0.00 H new ATOM 191 N TYR A 14 -7.177 3.722 4.810 1.00 0.00 N ATOM 192 CA TYR A 14 -6.452 4.315 3.692 1.00 0.00 C ATOM 193 C TYR A 14 -7.402 4.668 2.552 1.00 0.00 C ATOM 194 O TYR A 14 -7.999 3.788 1.931 1.00 0.00 O ATOM 195 CB TYR A 14 -5.372 3.355 3.191 1.00 0.00 C ATOM 196 CG TYR A 14 -4.651 2.622 4.300 1.00 0.00 C ATOM 197 CD1 TYR A 14 -4.127 3.310 5.388 1.00 0.00 C ATOM 198 CD2 TYR A 14 -4.494 1.242 4.261 1.00 0.00 C ATOM 199 CE1 TYR A 14 -3.467 2.644 6.403 1.00 0.00 C ATOM 200 CE2 TYR A 14 -3.837 0.568 5.272 1.00 0.00 C ATOM 201 CZ TYR A 14 -3.325 1.274 6.341 1.00 0.00 C ATOM 202 OH TYR A 14 -2.670 0.607 7.351 1.00 0.00 O ATOM 0 H TYR A 14 -7.167 4.281 5.663 1.00 0.00 H new ATOM 0 HA TYR A 14 -5.979 5.232 4.044 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -5.828 2.626 2.522 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -4.644 3.915 2.604 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -4.238 4.383 5.441 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -4.893 0.686 3.425 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.064 3.194 7.241 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -3.725 -0.505 5.226 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.472 1.231 8.080 1.00 0.00 H new ATOM 212 N SER A 15 -7.538 5.963 2.283 1.00 0.00 N ATOM 213 CA SER A 15 -8.418 6.434 1.220 1.00 0.00 C ATOM 214 C SER A 15 -7.971 5.893 -0.135 1.00 0.00 C ATOM 215 O SER A 15 -6.879 5.341 -0.267 1.00 0.00 O ATOM 216 CB SER A 15 -8.440 7.964 1.189 1.00 0.00 C ATOM 217 OG SER A 15 -9.657 8.445 0.647 1.00 0.00 O ATOM 0 H SER A 15 -7.050 6.704 2.786 1.00 0.00 H new ATOM 0 HA SER A 15 -9.424 6.067 1.424 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.309 8.353 2.199 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.603 8.331 0.595 1.00 0.00 H new ATOM 0 HG SER A 15 -9.647 9.425 0.640 1.00 0.00 H new ATOM 223 N LYS A 16 -8.825 6.056 -1.140 1.00 0.00 N ATOM 224 CA LYS A 16 -8.521 5.587 -2.486 1.00 0.00 C ATOM 225 C LYS A 16 -7.156 6.091 -2.943 1.00 0.00 C ATOM 226 O LYS A 16 -6.463 5.426 -3.712 1.00 0.00 O ATOM 227 CB LYS A 16 -9.602 6.049 -3.466 1.00 0.00 C ATOM 228 CG LYS A 16 -10.872 5.219 -3.406 1.00 0.00 C ATOM 229 CD LYS A 16 -10.695 3.878 -4.098 1.00 0.00 C ATOM 230 CE LYS A 16 -11.746 2.875 -3.648 1.00 0.00 C ATOM 231 NZ LYS A 16 -11.861 1.729 -4.592 1.00 0.00 N ATOM 0 H LYS A 16 -9.734 6.510 -1.047 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.498 4.497 -2.467 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.848 7.090 -3.258 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -9.202 6.013 -4.479 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -11.154 5.058 -2.365 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -11.688 5.767 -3.876 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -10.759 4.013 -5.178 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -9.701 3.485 -3.884 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -11.492 2.503 -2.655 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -12.711 3.374 -3.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -12.588 1.069 -4.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -12.129 2.080 -5.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -10.947 1.237 -4.653 1.00 0.00 H new ATOM 245 N GLY A 17 -6.775 7.272 -2.464 1.00 0.00 N ATOM 246 CA GLY A 17 -5.494 7.844 -2.833 1.00 0.00 C ATOM 247 C GLY A 17 -4.331 7.155 -2.148 1.00 0.00 C ATOM 248 O GLY A 17 -3.255 7.017 -2.727 1.00 0.00 O ATOM 0 H GLY A 17 -7.331 7.842 -1.827 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.367 7.776 -3.913 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.486 8.904 -2.577 1.00 0.00 H new ATOM 252 N GLN A 18 -4.548 6.723 -0.909 1.00 0.00 N ATOM 253 CA GLN A 18 -3.508 6.046 -0.144 1.00 0.00 C ATOM 254 C GLN A 18 -3.389 4.584 -0.560 1.00 0.00 C ATOM 255 O GLN A 18 -2.306 4.000 -0.511 1.00 0.00 O ATOM 256 CB GLN A 18 -3.805 6.140 1.354 1.00 0.00 C ATOM 257 CG GLN A 18 -3.609 7.534 1.927 1.00 0.00 C ATOM 258 CD GLN A 18 -3.858 7.591 3.422 1.00 0.00 C ATOM 259 OE1 GLN A 18 -4.999 7.499 3.876 1.00 0.00 O ATOM 260 NE2 GLN A 18 -2.789 7.742 4.195 1.00 0.00 N ATOM 0 H GLN A 18 -5.434 6.830 -0.415 1.00 0.00 H new ATOM 0 HA GLN A 18 -2.559 6.541 -0.351 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.833 5.824 1.533 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.160 5.443 1.888 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -2.593 7.869 1.719 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.282 8.228 1.424 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -1.862 7.814 3.775 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -2.895 7.786 5.209 1.00 0.00 H new ATOM 269 N LEU A 19 -4.509 3.998 -0.970 1.00 0.00 N ATOM 270 CA LEU A 19 -4.531 2.603 -1.395 1.00 0.00 C ATOM 271 C LEU A 19 -3.975 2.455 -2.808 1.00 0.00 C ATOM 272 O LEU A 19 -3.600 1.360 -3.227 1.00 0.00 O ATOM 273 CB LEU A 19 -5.958 2.054 -1.337 1.00 0.00 C ATOM 274 CG LEU A 19 -6.550 1.873 0.061 1.00 0.00 C ATOM 275 CD1 LEU A 19 -8.051 1.644 -0.021 1.00 0.00 C ATOM 276 CD2 LEU A 19 -5.871 0.719 0.783 1.00 0.00 C ATOM 0 H LEU A 19 -5.413 4.467 -1.017 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.900 2.032 -0.714 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.607 2.724 -1.901 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.976 1.090 -1.845 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.373 2.785 0.631 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.455 1.517 0.983 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.525 2.503 -0.497 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.251 0.748 -0.608 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.305 0.605 1.776 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.016 -0.201 0.216 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.804 0.924 0.875 1.00 0.00 H new ATOM 288 N ARG A 20 -3.922 3.566 -3.536 1.00 0.00 N ATOM 289 CA ARG A 20 -3.410 3.560 -4.902 1.00 0.00 C ATOM 290 C ARG A 20 -1.945 3.136 -4.931 1.00 0.00 C ATOM 291 O ARG A 20 -1.534 2.348 -5.782 1.00 0.00 O ATOM 292 CB ARG A 20 -3.564 4.945 -5.532 1.00 0.00 C ATOM 293 CG ARG A 20 -3.708 4.913 -7.045 1.00 0.00 C ATOM 294 CD ARG A 20 -4.083 6.279 -7.598 1.00 0.00 C ATOM 295 NE ARG A 20 -4.061 6.303 -9.058 1.00 0.00 N ATOM 296 CZ ARG A 20 -5.051 5.842 -9.816 1.00 0.00 C ATOM 297 NH1 ARG A 20 -6.135 5.325 -9.253 1.00 0.00 N ATOM 298 NH2 ARG A 20 -4.958 5.899 -11.138 1.00 0.00 N ATOM 0 H ARG A 20 -4.227 4.481 -3.203 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.990 2.839 -5.478 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.438 5.435 -5.103 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.697 5.552 -5.271 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -2.771 4.582 -7.494 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.470 4.185 -7.324 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.078 6.552 -7.246 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.392 7.028 -7.213 1.00 0.00 H new ATOM 0 HE ARG A 20 -3.241 6.695 -9.521 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.210 5.281 -8.237 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.894 4.972 -9.836 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -4.126 6.297 -11.574 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -5.718 5.545 -11.718 1.00 0.00 H new ATOM 312 N GLU A 21 -1.162 3.665 -3.996 1.00 0.00 N ATOM 313 CA GLU A 21 0.258 3.342 -3.916 1.00 0.00 C ATOM 314 C GLU A 21 0.471 1.984 -3.254 1.00 0.00 C ATOM 315 O GLU A 21 1.406 1.256 -3.590 1.00 0.00 O ATOM 316 CB GLU A 21 1.007 4.425 -3.138 1.00 0.00 C ATOM 317 CG GLU A 21 0.681 5.838 -3.592 1.00 0.00 C ATOM 318 CD GLU A 21 -0.460 6.455 -2.806 1.00 0.00 C ATOM 319 OE1 GLU A 21 -1.120 5.719 -2.043 1.00 0.00 O ATOM 320 OE2 GLU A 21 -0.693 7.672 -2.955 1.00 0.00 O ATOM 0 H GLU A 21 -1.487 4.319 -3.284 1.00 0.00 H new ATOM 0 HA GLU A 21 0.652 3.297 -4.931 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.769 4.329 -2.079 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.079 4.258 -3.241 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.568 6.463 -3.488 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.422 5.825 -4.651 1.00 0.00 H new ATOM 327 N LEU A 22 -0.402 1.650 -2.310 1.00 0.00 N ATOM 328 CA LEU A 22 -0.311 0.380 -1.598 1.00 0.00 C ATOM 329 C LEU A 22 -0.641 -0.787 -2.523 1.00 0.00 C ATOM 330 O LEU A 22 -0.082 -1.875 -2.388 1.00 0.00 O ATOM 331 CB LEU A 22 -1.258 0.377 -0.397 1.00 0.00 C ATOM 332 CG LEU A 22 -0.881 1.306 0.757 1.00 0.00 C ATOM 333 CD1 LEU A 22 -2.059 1.491 1.701 1.00 0.00 C ATOM 334 CD2 LEU A 22 0.325 0.762 1.508 1.00 0.00 C ATOM 0 H LEU A 22 -1.181 2.241 -2.020 1.00 0.00 H new ATOM 0 HA LEU A 22 0.714 0.262 -1.245 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.255 0.649 -0.745 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.321 -0.641 -0.012 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.618 2.279 0.342 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.771 2.155 2.516 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.897 1.926 1.156 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.354 0.524 2.108 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.579 1.436 2.326 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.089 -0.223 1.910 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.172 0.683 0.827 1.00 0.00 H new ATOM 346 N GLU A 23 -1.551 -0.552 -3.464 1.00 0.00 N ATOM 347 CA GLU A 23 -1.953 -1.584 -4.412 1.00 0.00 C ATOM 348 C GLU A 23 -0.973 -1.663 -5.579 1.00 0.00 C ATOM 349 O GLU A 23 -0.607 -2.750 -6.024 1.00 0.00 O ATOM 350 CB GLU A 23 -3.364 -1.307 -4.934 1.00 0.00 C ATOM 351 CG GLU A 23 -4.460 -1.652 -3.939 1.00 0.00 C ATOM 352 CD GLU A 23 -4.962 -3.074 -4.095 1.00 0.00 C ATOM 353 OE1 GLU A 23 -4.312 -3.856 -4.820 1.00 0.00 O ATOM 354 OE2 GLU A 23 -6.004 -3.405 -3.492 1.00 0.00 O ATOM 0 H GLU A 23 -2.023 0.343 -3.590 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.948 -2.541 -3.891 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -3.444 -0.253 -5.199 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.522 -1.878 -5.849 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.083 -1.513 -2.926 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.293 -0.960 -4.067 1.00 0.00 H new ATOM 361 N ARG A 24 -0.554 -0.501 -6.071 1.00 0.00 N ATOM 362 CA ARG A 24 0.381 -0.437 -7.187 1.00 0.00 C ATOM 363 C ARG A 24 1.703 -1.111 -6.829 1.00 0.00 C ATOM 364 O ARG A 24 2.174 -1.994 -7.545 1.00 0.00 O ATOM 365 CB ARG A 24 0.631 1.018 -7.588 1.00 0.00 C ATOM 366 CG ARG A 24 -0.362 1.547 -8.610 1.00 0.00 C ATOM 367 CD ARG A 24 0.214 2.715 -9.394 1.00 0.00 C ATOM 368 NE ARG A 24 -0.423 2.866 -10.700 1.00 0.00 N ATOM 369 CZ ARG A 24 -0.096 2.142 -11.765 1.00 0.00 C ATOM 370 NH1 ARG A 24 0.855 1.223 -11.680 1.00 0.00 N ATOM 371 NH2 ARG A 24 -0.722 2.338 -12.919 1.00 0.00 N ATOM 0 H ARG A 24 -0.848 0.408 -5.714 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.062 -0.968 -8.029 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.590 1.644 -6.697 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.639 1.106 -7.994 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.639 0.748 -9.297 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.274 1.862 -8.103 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.088 3.634 -8.821 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.286 2.568 -9.528 1.00 0.00 H new ATOM 0 HE ARG A 24 -1.159 3.565 -10.800 1.00 0.00 H new ATOM 0 HH11 ARG A 24 1.338 1.070 -10.795 1.00 0.00 H new ATOM 0 HH12 ARG A 24 1.104 0.669 -12.500 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -1.454 3.045 -12.988 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -0.471 1.782 -13.736 1.00 0.00 H new ATOM 385 N GLU A 25 2.295 -0.687 -5.717 1.00 0.00 N ATOM 386 CA GLU A 25 3.562 -1.249 -5.265 1.00 0.00 C ATOM 387 C GLU A 25 3.433 -2.748 -5.010 1.00 0.00 C ATOM 388 O GLU A 25 4.361 -3.515 -5.269 1.00 0.00 O ATOM 389 CB GLU A 25 4.034 -0.543 -3.992 1.00 0.00 C ATOM 390 CG GLU A 25 4.849 0.711 -4.258 1.00 0.00 C ATOM 391 CD GLU A 25 4.263 1.564 -5.366 1.00 0.00 C ATOM 392 OE1 GLU A 25 3.391 2.407 -5.069 1.00 0.00 O ATOM 393 OE2 GLU A 25 4.677 1.389 -6.532 1.00 0.00 O ATOM 0 H GLU A 25 1.918 0.043 -5.113 1.00 0.00 H new ATOM 0 HA GLU A 25 4.299 -1.094 -6.053 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.165 -0.280 -3.389 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.633 -1.237 -3.402 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.909 1.301 -3.344 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.868 0.428 -4.523 1.00 0.00 H new ATOM 400 N TYR A 26 2.277 -3.158 -4.501 1.00 0.00 N ATOM 401 CA TYR A 26 2.026 -4.564 -4.208 1.00 0.00 C ATOM 402 C TYR A 26 1.946 -5.382 -5.493 1.00 0.00 C ATOM 403 O TYR A 26 2.575 -6.433 -5.613 1.00 0.00 O ATOM 404 CB TYR A 26 0.729 -4.717 -3.411 1.00 0.00 C ATOM 405 CG TYR A 26 0.288 -6.153 -3.242 1.00 0.00 C ATOM 406 CD1 TYR A 26 0.927 -6.995 -2.340 1.00 0.00 C ATOM 407 CD2 TYR A 26 -0.768 -6.668 -3.983 1.00 0.00 C ATOM 408 CE1 TYR A 26 0.528 -8.308 -2.183 1.00 0.00 C ATOM 409 CE2 TYR A 26 -1.175 -7.979 -3.832 1.00 0.00 C ATOM 410 CZ TYR A 26 -0.524 -8.796 -2.931 1.00 0.00 C ATOM 411 OH TYR A 26 -0.925 -10.103 -2.776 1.00 0.00 O ATOM 0 H TYR A 26 1.498 -2.536 -4.283 1.00 0.00 H new ATOM 0 HA TYR A 26 2.858 -4.939 -3.611 1.00 0.00 H new ATOM 0 HB2 TYR A 26 0.862 -4.268 -2.427 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.063 -4.159 -3.911 1.00 0.00 H new ATOM 0 HD1 TYR A 26 1.750 -6.616 -1.752 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.280 -6.032 -4.690 1.00 0.00 H new ATOM 0 HE1 TYR A 26 1.037 -8.949 -1.479 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.998 -8.363 -4.416 1.00 0.00 H new ATOM 0 HH TYR A 26 -1.678 -10.287 -3.375 1.00 0.00 H new ATOM 421 N ALA A 27 1.166 -4.892 -6.451 1.00 0.00 N ATOM 422 CA ALA A 27 1.005 -5.575 -7.729 1.00 0.00 C ATOM 423 C ALA A 27 2.355 -5.831 -8.389 1.00 0.00 C ATOM 424 O ALA A 27 2.505 -6.765 -9.177 1.00 0.00 O ATOM 425 CB ALA A 27 0.110 -4.762 -8.652 1.00 0.00 C ATOM 0 H ALA A 27 0.636 -4.025 -6.366 1.00 0.00 H new ATOM 0 HA ALA A 27 0.534 -6.540 -7.540 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.002 -5.283 -9.603 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.869 -4.635 -8.190 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.559 -3.784 -8.825 1.00 0.00 H new ATOM 431 N ALA A 28 3.336 -4.996 -8.063 1.00 0.00 N ATOM 432 CA ALA A 28 4.675 -5.133 -8.623 1.00 0.00 C ATOM 433 C ALA A 28 5.515 -6.109 -7.806 1.00 0.00 C ATOM 434 O ALA A 28 6.456 -6.712 -8.319 1.00 0.00 O ATOM 435 CB ALA A 28 5.359 -3.776 -8.694 1.00 0.00 C ATOM 0 H ALA A 28 3.229 -4.217 -7.413 1.00 0.00 H new ATOM 0 HA ALA A 28 4.580 -5.533 -9.633 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.358 -3.894 -9.114 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.776 -3.107 -9.327 1.00 0.00 H new ATOM 0 HB3 ALA A 28 5.434 -3.354 -7.692 1.00 0.00 H new ATOM 441 N ASN A 29 5.168 -6.258 -6.532 1.00 0.00 N ATOM 442 CA ASN A 29 5.891 -7.160 -5.643 1.00 0.00 C ATOM 443 C ASN A 29 5.091 -7.430 -4.372 1.00 0.00 C ATOM 444 O ASN A 29 4.505 -6.517 -3.789 1.00 0.00 O ATOM 445 CB ASN A 29 7.256 -6.570 -5.284 1.00 0.00 C ATOM 446 CG ASN A 29 7.157 -5.136 -4.801 1.00 0.00 C ATOM 447 OD1 ASN A 29 7.174 -4.872 -3.598 1.00 0.00 O ATOM 448 ND2 ASN A 29 7.052 -4.202 -5.738 1.00 0.00 N ATOM 0 H ASN A 29 4.391 -5.766 -6.092 1.00 0.00 H new ATOM 0 HA ASN A 29 6.037 -8.105 -6.166 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.720 -7.180 -4.509 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.908 -6.612 -6.156 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.981 -3.220 -5.473 1.00 0.00 H new ATOM 0 HD22 ASN A 29 7.042 -4.467 -6.723 1.00 0.00 H new ATOM 455 N LYS A 30 5.072 -8.688 -3.947 1.00 0.00 N ATOM 456 CA LYS A 30 4.346 -9.080 -2.745 1.00 0.00 C ATOM 457 C LYS A 30 4.998 -8.488 -1.499 1.00 0.00 C ATOM 458 O LYS A 30 4.336 -8.265 -0.486 1.00 0.00 O ATOM 459 CB LYS A 30 4.292 -10.605 -2.630 1.00 0.00 C ATOM 460 CG LYS A 30 3.844 -11.295 -3.907 1.00 0.00 C ATOM 461 CD LYS A 30 2.399 -10.964 -4.242 1.00 0.00 C ATOM 462 CE LYS A 30 2.109 -11.169 -5.721 1.00 0.00 C ATOM 463 NZ LYS A 30 1.014 -10.281 -6.200 1.00 0.00 N ATOM 0 H LYS A 30 5.552 -9.455 -4.418 1.00 0.00 H new ATOM 0 HA LYS A 30 3.330 -8.692 -2.822 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.279 -10.975 -2.354 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.612 -10.876 -1.822 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.489 -10.991 -4.732 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.955 -12.374 -3.797 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.734 -11.592 -3.649 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.189 -9.930 -3.969 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.013 -10.975 -6.299 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.836 -12.209 -5.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 0.847 -10.451 -7.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 0.144 -10.483 -5.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 1.285 -9.287 -6.056 1.00 0.00 H new ATOM 477 N PHE A 31 6.301 -8.236 -1.582 1.00 0.00 N ATOM 478 CA PHE A 31 7.043 -7.671 -0.461 1.00 0.00 C ATOM 479 C PHE A 31 8.008 -6.589 -0.938 1.00 0.00 C ATOM 480 O PHE A 31 8.980 -6.875 -1.637 1.00 0.00 O ATOM 481 CB PHE A 31 7.813 -8.769 0.275 1.00 0.00 C ATOM 482 CG PHE A 31 6.932 -9.856 0.820 1.00 0.00 C ATOM 483 CD1 PHE A 31 6.563 -10.930 0.026 1.00 0.00 C ATOM 484 CD2 PHE A 31 6.474 -9.805 2.127 1.00 0.00 C ATOM 485 CE1 PHE A 31 5.752 -11.932 0.526 1.00 0.00 C ATOM 486 CE2 PHE A 31 5.663 -10.804 2.632 1.00 0.00 C ATOM 487 CZ PHE A 31 5.302 -11.869 1.830 1.00 0.00 C ATOM 0 H PHE A 31 6.864 -8.414 -2.414 1.00 0.00 H new ATOM 0 HA PHE A 31 6.327 -7.218 0.225 1.00 0.00 H new ATOM 0 HB2 PHE A 31 8.541 -9.210 -0.406 1.00 0.00 H new ATOM 0 HB3 PHE A 31 8.374 -8.321 1.095 1.00 0.00 H new ATOM 0 HD1 PHE A 31 6.913 -10.985 -0.994 1.00 0.00 H new ATOM 0 HD2 PHE A 31 6.754 -8.975 2.759 1.00 0.00 H new ATOM 0 HE1 PHE A 31 5.471 -12.764 -0.103 1.00 0.00 H new ATOM 0 HE2 PHE A 31 5.312 -10.752 3.652 1.00 0.00 H new ATOM 0 HZ PHE A 31 4.669 -12.651 2.222 1.00 0.00 H new ATOM 497 N ILE A 32 7.730 -5.347 -0.556 1.00 0.00 N ATOM 498 CA ILE A 32 8.574 -4.223 -0.944 1.00 0.00 C ATOM 499 C ILE A 32 9.928 -4.285 -0.245 1.00 0.00 C ATOM 500 O ILE A 32 10.217 -5.229 0.490 1.00 0.00 O ATOM 501 CB ILE A 32 7.901 -2.876 -0.618 1.00 0.00 C ATOM 502 CG1 ILE A 32 7.715 -2.727 0.893 1.00 0.00 C ATOM 503 CG2 ILE A 32 6.564 -2.764 -1.335 1.00 0.00 C ATOM 504 CD1 ILE A 32 7.132 -1.393 1.302 1.00 0.00 C ATOM 0 H ILE A 32 6.928 -5.094 0.021 1.00 0.00 H new ATOM 0 HA ILE A 32 8.721 -4.295 -2.022 1.00 0.00 H new ATOM 0 HB ILE A 32 8.547 -2.070 -0.967 1.00 0.00 H new ATOM 0 HG12 ILE A 32 7.063 -3.524 1.251 1.00 0.00 H new ATOM 0 HG13 ILE A 32 8.679 -2.859 1.384 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.101 -1.807 -1.094 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.722 -2.830 -2.411 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.910 -3.574 -1.014 1.00 0.00 H new ATOM 0 HD11 ILE A 32 7.028 -1.358 2.386 1.00 0.00 H new ATOM 0 HD12 ILE A 32 7.794 -0.591 0.975 1.00 0.00 H new ATOM 0 HD13 ILE A 32 6.153 -1.267 0.840 1.00 0.00 H new ATOM 516 N THR A 33 10.755 -3.271 -0.479 1.00 0.00 N ATOM 517 CA THR A 33 12.079 -3.209 0.127 1.00 0.00 C ATOM 518 C THR A 33 12.094 -2.255 1.317 1.00 0.00 C ATOM 519 O THR A 33 11.163 -1.474 1.512 1.00 0.00 O ATOM 520 CB THR A 33 13.143 -2.758 -0.891 1.00 0.00 C ATOM 521 OG1 THR A 33 13.079 -1.339 -1.072 1.00 0.00 O ATOM 522 CG2 THR A 33 12.941 -3.455 -2.228 1.00 0.00 C ATOM 0 H THR A 33 10.531 -2.481 -1.084 1.00 0.00 H new ATOM 0 HA THR A 33 12.318 -4.216 0.468 1.00 0.00 H new ATOM 0 HB THR A 33 14.124 -3.029 -0.502 1.00 0.00 H new ATOM 0 HG1 THR A 33 13.760 -1.061 -1.719 1.00 0.00 H new ATOM 0 HG21 THR A 33 13.704 -3.121 -2.931 1.00 0.00 H new ATOM 0 HG22 THR A 33 13.020 -4.534 -2.092 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.954 -3.211 -2.620 1.00 0.00 H new ATOM 530 N LYS A 34 13.158 -2.323 2.110 1.00 0.00 N ATOM 531 CA LYS A 34 13.297 -1.464 3.280 1.00 0.00 C ATOM 532 C LYS A 34 13.337 0.006 2.874 1.00 0.00 C ATOM 533 O LYS A 34 13.024 0.889 3.673 1.00 0.00 O ATOM 534 CB LYS A 34 14.566 -1.825 4.055 1.00 0.00 C ATOM 535 CG LYS A 34 14.674 -1.131 5.402 1.00 0.00 C ATOM 536 CD LYS A 34 13.774 -1.782 6.439 1.00 0.00 C ATOM 537 CE LYS A 34 14.486 -2.914 7.163 1.00 0.00 C ATOM 538 NZ LYS A 34 14.295 -4.221 6.474 1.00 0.00 N ATOM 0 H LYS A 34 13.937 -2.965 1.964 1.00 0.00 H new ATOM 0 HA LYS A 34 12.430 -1.622 3.921 1.00 0.00 H new ATOM 0 HB2 LYS A 34 14.594 -2.904 4.208 1.00 0.00 H new ATOM 0 HB3 LYS A 34 15.436 -1.566 3.452 1.00 0.00 H new ATOM 0 HG2 LYS A 34 15.708 -1.161 5.746 1.00 0.00 H new ATOM 0 HG3 LYS A 34 14.405 -0.080 5.294 1.00 0.00 H new ATOM 0 HD2 LYS A 34 13.450 -1.034 7.162 1.00 0.00 H new ATOM 0 HD3 LYS A 34 12.877 -2.166 5.954 1.00 0.00 H new ATOM 0 HE2 LYS A 34 15.551 -2.690 7.228 1.00 0.00 H new ATOM 0 HE3 LYS A 34 14.112 -2.984 8.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 13.952 -4.926 7.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 13.599 -4.112 5.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 15.201 -4.538 6.074 1.00 0.00 H new ATOM 552 N ASP A 35 13.724 0.261 1.629 1.00 0.00 N ATOM 553 CA ASP A 35 13.802 1.624 1.117 1.00 0.00 C ATOM 554 C ASP A 35 12.476 2.047 0.492 1.00 0.00 C ATOM 555 O ASP A 35 11.964 3.131 0.771 1.00 0.00 O ATOM 556 CB ASP A 35 14.926 1.740 0.086 1.00 0.00 C ATOM 557 CG ASP A 35 15.372 3.173 -0.125 1.00 0.00 C ATOM 558 OD1 ASP A 35 14.499 4.044 -0.322 1.00 0.00 O ATOM 559 OD2 ASP A 35 16.595 3.424 -0.093 1.00 0.00 O ATOM 0 H ASP A 35 13.989 -0.458 0.956 1.00 0.00 H new ATOM 0 HA ASP A 35 14.017 2.289 1.954 1.00 0.00 H new ATOM 0 HB2 ASP A 35 15.777 1.142 0.412 1.00 0.00 H new ATOM 0 HB3 ASP A 35 14.589 1.324 -0.863 1.00 0.00 H new ATOM 564 N LYS A 36 11.925 1.184 -0.355 1.00 0.00 N ATOM 565 CA LYS A 36 10.659 1.467 -1.020 1.00 0.00 C ATOM 566 C LYS A 36 9.571 1.793 -0.002 1.00 0.00 C ATOM 567 O LYS A 36 8.699 2.624 -0.257 1.00 0.00 O ATOM 568 CB LYS A 36 10.231 0.273 -1.876 1.00 0.00 C ATOM 569 CG LYS A 36 8.833 0.409 -2.454 1.00 0.00 C ATOM 570 CD LYS A 36 8.702 1.659 -3.308 1.00 0.00 C ATOM 571 CE LYS A 36 9.583 1.584 -4.545 1.00 0.00 C ATOM 572 NZ LYS A 36 9.060 2.433 -5.651 1.00 0.00 N ATOM 0 H LYS A 36 12.336 0.282 -0.597 1.00 0.00 H new ATOM 0 HA LYS A 36 10.801 2.335 -1.664 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.942 0.149 -2.693 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.279 -0.633 -1.271 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.600 -0.470 -3.055 1.00 0.00 H new ATOM 0 HG3 LYS A 36 8.105 0.443 -1.644 1.00 0.00 H new ATOM 0 HD2 LYS A 36 7.662 1.789 -3.608 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.975 2.534 -2.718 1.00 0.00 H new ATOM 0 HE2 LYS A 36 10.594 1.902 -4.290 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.649 0.549 -4.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.688 2.354 -6.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 8.105 2.114 -5.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 9.021 3.424 -5.339 1.00 0.00 H new ATOM 586 N ARG A 37 9.629 1.135 1.151 1.00 0.00 N ATOM 587 CA ARG A 37 8.649 1.355 2.207 1.00 0.00 C ATOM 588 C ARG A 37 8.656 2.812 2.660 1.00 0.00 C ATOM 589 O ARG A 37 7.603 3.435 2.798 1.00 0.00 O ATOM 590 CB ARG A 37 8.935 0.438 3.397 1.00 0.00 C ATOM 591 CG ARG A 37 7.878 0.507 4.487 1.00 0.00 C ATOM 592 CD ARG A 37 7.739 -0.822 5.214 1.00 0.00 C ATOM 593 NE ARG A 37 8.733 -0.972 6.273 1.00 0.00 N ATOM 594 CZ ARG A 37 9.092 -2.145 6.783 1.00 0.00 C ATOM 595 NH1 ARG A 37 8.540 -3.264 6.333 1.00 0.00 N ATOM 596 NH2 ARG A 37 10.004 -2.201 7.745 1.00 0.00 N ATOM 0 H ARG A 37 10.345 0.445 1.378 1.00 0.00 H new ATOM 0 HA ARG A 37 7.662 1.122 1.807 1.00 0.00 H new ATOM 0 HB2 ARG A 37 9.013 -0.590 3.042 1.00 0.00 H new ATOM 0 HB3 ARG A 37 9.903 0.702 3.824 1.00 0.00 H new ATOM 0 HG2 ARG A 37 8.141 1.288 5.201 1.00 0.00 H new ATOM 0 HG3 ARG A 37 6.920 0.785 4.049 1.00 0.00 H new ATOM 0 HD2 ARG A 37 6.739 -0.899 5.641 1.00 0.00 H new ATOM 0 HD3 ARG A 37 7.844 -1.639 4.500 1.00 0.00 H new ATOM 0 HE ARG A 37 9.176 -0.130 6.641 1.00 0.00 H new ATOM 0 HH11 ARG A 37 7.838 -3.225 5.594 1.00 0.00 H new ATOM 0 HH12 ARG A 37 8.817 -4.163 6.726 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.431 -1.343 8.094 1.00 0.00 H new ATOM 0 HH22 ARG A 37 10.279 -3.102 8.136 1.00 0.00 H new ATOM 610 N ARG A 38 9.850 3.349 2.890 1.00 0.00 N ATOM 611 CA ARG A 38 9.994 4.732 3.329 1.00 0.00 C ATOM 612 C ARG A 38 9.332 5.688 2.341 1.00 0.00 C ATOM 613 O ARG A 38 8.667 6.645 2.737 1.00 0.00 O ATOM 614 CB ARG A 38 11.474 5.088 3.486 1.00 0.00 C ATOM 615 CG ARG A 38 12.181 4.288 4.569 1.00 0.00 C ATOM 616 CD ARG A 38 13.692 4.366 4.421 1.00 0.00 C ATOM 617 NE ARG A 38 14.177 5.743 4.472 1.00 0.00 N ATOM 618 CZ ARG A 38 14.306 6.435 5.599 1.00 0.00 C ATOM 619 NH1 ARG A 38 13.990 5.882 6.761 1.00 0.00 N ATOM 620 NH2 ARG A 38 14.754 7.684 5.564 1.00 0.00 N ATOM 0 H ARG A 38 10.731 2.847 2.780 1.00 0.00 H new ATOM 0 HA ARG A 38 9.498 4.834 4.294 1.00 0.00 H new ATOM 0 HB2 ARG A 38 11.981 4.924 2.535 1.00 0.00 H new ATOM 0 HB3 ARG A 38 11.561 6.150 3.715 1.00 0.00 H new ATOM 0 HG2 ARG A 38 11.890 4.665 5.550 1.00 0.00 H new ATOM 0 HG3 ARG A 38 11.863 3.247 4.520 1.00 0.00 H new ATOM 0 HD2 ARG A 38 14.164 3.786 5.214 1.00 0.00 H new ATOM 0 HD3 ARG A 38 13.987 3.912 3.475 1.00 0.00 H new ATOM 0 HE ARG A 38 14.430 6.198 3.595 1.00 0.00 H new ATOM 0 HH11 ARG A 38 13.646 4.922 6.792 1.00 0.00 H new ATOM 0 HH12 ARG A 38 14.090 6.416 7.624 1.00 0.00 H new ATOM 0 HH21 ARG A 38 14.999 8.113 4.672 1.00 0.00 H new ATOM 0 HH22 ARG A 38 14.853 8.215 6.429 1.00 0.00 H new ATOM 634 N LYS A 39 9.519 5.422 1.053 1.00 0.00 N ATOM 635 CA LYS A 39 8.940 6.257 0.007 1.00 0.00 C ATOM 636 C LYS A 39 7.417 6.255 0.090 1.00 0.00 C ATOM 637 O LYS A 39 6.788 7.312 0.146 1.00 0.00 O ATOM 638 CB LYS A 39 9.387 5.766 -1.372 1.00 0.00 C ATOM 639 CG LYS A 39 10.895 5.742 -1.550 1.00 0.00 C ATOM 640 CD LYS A 39 11.435 7.114 -1.914 1.00 0.00 C ATOM 641 CE LYS A 39 12.934 7.207 -1.668 1.00 0.00 C ATOM 642 NZ LYS A 39 13.718 6.673 -2.816 1.00 0.00 N ATOM 0 H LYS A 39 10.067 4.634 0.708 1.00 0.00 H new ATOM 0 HA LYS A 39 9.293 7.278 0.154 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.994 4.762 -1.536 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.950 6.408 -2.136 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.366 5.397 -0.629 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.159 5.027 -2.330 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.224 7.323 -2.963 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.921 7.876 -1.328 1.00 0.00 H new ATOM 0 HE2 LYS A 39 13.209 8.247 -1.492 1.00 0.00 H new ATOM 0 HE3 LYS A 39 13.189 6.653 -0.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 14.734 6.754 -2.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.474 5.674 -2.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 13.494 7.218 -3.673 1.00 0.00 H new ATOM 656 N ILE A 40 6.831 5.063 0.098 1.00 0.00 N ATOM 657 CA ILE A 40 5.382 4.925 0.177 1.00 0.00 C ATOM 658 C ILE A 40 4.824 5.667 1.387 1.00 0.00 C ATOM 659 O ILE A 40 3.728 6.225 1.335 1.00 0.00 O ATOM 660 CB ILE A 40 4.960 3.446 0.257 1.00 0.00 C ATOM 661 CG1 ILE A 40 5.498 2.674 -0.949 1.00 0.00 C ATOM 662 CG2 ILE A 40 3.445 3.330 0.335 1.00 0.00 C ATOM 663 CD1 ILE A 40 5.384 1.172 -0.805 1.00 0.00 C ATOM 0 H ILE A 40 7.337 4.179 0.051 1.00 0.00 H new ATOM 0 HA ILE A 40 4.974 5.362 -0.734 1.00 0.00 H new ATOM 0 HB ILE A 40 5.384 3.011 1.162 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.957 2.987 -1.842 1.00 0.00 H new ATOM 0 HG13 ILE A 40 6.544 2.938 -1.102 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.163 2.279 0.391 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.086 3.850 1.223 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.000 3.778 -0.553 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.784 0.690 -1.697 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.949 0.846 0.069 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.336 0.897 -0.683 1.00 0.00 H new ATOM 675 N SER A 41 5.587 5.670 2.476 1.00 0.00 N ATOM 676 CA SER A 41 5.168 6.343 3.700 1.00 0.00 C ATOM 677 C SER A 41 5.036 7.846 3.477 1.00 0.00 C ATOM 678 O SER A 41 4.291 8.526 4.181 1.00 0.00 O ATOM 679 CB SER A 41 6.169 6.069 4.825 1.00 0.00 C ATOM 680 OG SER A 41 6.251 7.170 5.713 1.00 0.00 O ATOM 0 H SER A 41 6.498 5.214 2.535 1.00 0.00 H new ATOM 0 HA SER A 41 4.193 5.949 3.986 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.869 5.176 5.374 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.152 5.866 4.400 1.00 0.00 H new ATOM 0 HG SER A 41 5.438 7.211 6.259 1.00 0.00 H new ATOM 686 N ALA A 42 5.765 8.358 2.491 1.00 0.00 N ATOM 687 CA ALA A 42 5.729 9.780 2.172 1.00 0.00 C ATOM 688 C ALA A 42 4.651 10.082 1.136 1.00 0.00 C ATOM 689 O ALA A 42 3.896 11.044 1.275 1.00 0.00 O ATOM 690 CB ALA A 42 7.089 10.244 1.673 1.00 0.00 C ATOM 0 H ALA A 42 6.388 7.809 1.899 1.00 0.00 H new ATOM 0 HA ALA A 42 5.484 10.326 3.083 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.047 11.308 1.439 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.838 10.072 2.446 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.358 9.685 0.776 1.00 0.00 H new ATOM 696 N ALA A 43 4.587 9.256 0.097 1.00 0.00 N ATOM 697 CA ALA A 43 3.601 9.435 -0.962 1.00 0.00 C ATOM 698 C ALA A 43 2.186 9.219 -0.436 1.00 0.00 C ATOM 699 O ALA A 43 1.223 9.774 -0.968 1.00 0.00 O ATOM 700 CB ALA A 43 3.888 8.486 -2.116 1.00 0.00 C ATOM 0 H ALA A 43 5.206 8.456 -0.034 1.00 0.00 H new ATOM 0 HA ALA A 43 3.674 10.461 -1.323 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.144 8.630 -2.900 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.881 8.690 -2.516 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.845 7.457 -1.760 1.00 0.00 H new ATOM 706 N THR A 44 2.065 8.409 0.611 1.00 0.00 N ATOM 707 CA THR A 44 0.768 8.119 1.207 1.00 0.00 C ATOM 708 C THR A 44 0.638 8.763 2.583 1.00 0.00 C ATOM 709 O THR A 44 -0.446 8.791 3.166 1.00 0.00 O ATOM 710 CB THR A 44 0.537 6.601 1.340 1.00 0.00 C ATOM 711 OG1 THR A 44 1.333 6.076 2.408 1.00 0.00 O ATOM 712 CG2 THR A 44 0.885 5.886 0.043 1.00 0.00 C ATOM 0 H THR A 44 2.851 7.942 1.064 1.00 0.00 H new ATOM 0 HA THR A 44 0.014 8.537 0.540 1.00 0.00 H new ATOM 0 HB THR A 44 -0.518 6.434 1.558 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.279 6.259 2.231 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.714 4.816 0.160 1.00 0.00 H new ATOM 0 HG22 THR A 44 0.257 6.267 -0.762 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.933 6.062 -0.199 1.00 0.00 H new ATOM 720 N SER A 45 1.749 9.280 3.096 1.00 0.00 N ATOM 721 CA SER A 45 1.760 9.922 4.405 1.00 0.00 C ATOM 722 C SER A 45 1.412 8.922 5.503 1.00 0.00 C ATOM 723 O SER A 45 0.834 9.284 6.529 1.00 0.00 O ATOM 724 CB SER A 45 0.773 11.090 4.432 1.00 0.00 C ATOM 725 OG SER A 45 0.870 11.867 3.251 1.00 0.00 O ATOM 0 H SER A 45 2.654 9.267 2.625 1.00 0.00 H new ATOM 0 HA SER A 45 2.765 10.301 4.588 1.00 0.00 H new ATOM 0 HB2 SER A 45 -0.243 10.709 4.538 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.971 11.717 5.301 1.00 0.00 H new ATOM 0 HG SER A 45 0.228 12.606 3.292 1.00 0.00 H new ATOM 731 N LEU A 46 1.767 7.661 5.281 1.00 0.00 N ATOM 732 CA LEU A 46 1.492 6.606 6.251 1.00 0.00 C ATOM 733 C LEU A 46 2.765 6.197 6.984 1.00 0.00 C ATOM 734 O LEU A 46 3.830 6.776 6.771 1.00 0.00 O ATOM 735 CB LEU A 46 0.879 5.391 5.552 1.00 0.00 C ATOM 736 CG LEU A 46 -0.539 5.573 5.010 1.00 0.00 C ATOM 737 CD1 LEU A 46 -0.776 4.661 3.817 1.00 0.00 C ATOM 738 CD2 LEU A 46 -1.565 5.305 6.101 1.00 0.00 C ATOM 0 H LEU A 46 2.246 7.344 4.438 1.00 0.00 H new ATOM 0 HA LEU A 46 0.782 6.993 6.982 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.529 5.107 4.724 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.874 4.557 6.254 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.651 6.605 4.679 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.790 4.805 3.445 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.063 4.901 3.028 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.645 3.623 4.121 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.569 5.439 5.698 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.453 4.283 6.463 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.409 6.001 6.926 1.00 0.00 H new ATOM 750 N SER A 47 2.647 5.194 7.848 1.00 0.00 N ATOM 751 CA SER A 47 3.788 4.707 8.615 1.00 0.00 C ATOM 752 C SER A 47 4.350 3.428 8.001 1.00 0.00 C ATOM 753 O SER A 47 3.638 2.690 7.322 1.00 0.00 O ATOM 754 CB SER A 47 3.382 4.454 10.068 1.00 0.00 C ATOM 755 OG SER A 47 3.594 5.606 10.866 1.00 0.00 O ATOM 0 H SER A 47 1.773 4.703 8.035 1.00 0.00 H new ATOM 0 HA SER A 47 4.564 5.472 8.590 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.331 4.167 10.110 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.957 3.619 10.469 1.00 0.00 H new ATOM 0 HG SER A 47 3.325 5.418 11.789 1.00 0.00 H new ATOM 761 N GLU A 48 5.632 3.175 8.247 1.00 0.00 N ATOM 762 CA GLU A 48 6.289 1.986 7.718 1.00 0.00 C ATOM 763 C GLU A 48 5.494 0.728 8.056 1.00 0.00 C ATOM 764 O GLU A 48 5.231 -0.105 7.188 1.00 0.00 O ATOM 765 CB GLU A 48 7.709 1.870 8.276 1.00 0.00 C ATOM 766 CG GLU A 48 8.586 3.071 7.964 1.00 0.00 C ATOM 767 CD GLU A 48 10.039 2.846 8.335 1.00 0.00 C ATOM 768 OE1 GLU A 48 10.314 2.604 9.529 1.00 0.00 O ATOM 769 OE2 GLU A 48 10.899 2.911 7.433 1.00 0.00 O ATOM 0 H GLU A 48 6.235 3.777 8.808 1.00 0.00 H new ATOM 0 HA GLU A 48 6.339 2.083 6.633 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.656 1.741 9.357 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.178 0.973 7.870 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.518 3.299 6.900 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.208 3.941 8.501 1.00 0.00 H new ATOM 776 N ARG A 49 5.115 0.598 9.323 1.00 0.00 N ATOM 777 CA ARG A 49 4.351 -0.558 9.777 1.00 0.00 C ATOM 778 C ARG A 49 3.002 -0.631 9.068 1.00 0.00 C ATOM 779 O ARG A 49 2.607 -1.687 8.574 1.00 0.00 O ATOM 780 CB ARG A 49 4.141 -0.495 11.291 1.00 0.00 C ATOM 781 CG ARG A 49 3.420 -1.707 11.857 1.00 0.00 C ATOM 782 CD ARG A 49 4.239 -2.976 11.681 1.00 0.00 C ATOM 783 NE ARG A 49 3.811 -4.035 12.590 1.00 0.00 N ATOM 784 CZ ARG A 49 4.411 -5.217 12.677 1.00 0.00 C ATOM 785 NH1 ARG A 49 5.460 -5.488 11.913 1.00 0.00 N ATOM 786 NH2 ARG A 49 3.963 -6.129 13.529 1.00 0.00 N ATOM 0 H ARG A 49 5.324 1.279 10.053 1.00 0.00 H new ATOM 0 HA ARG A 49 4.919 -1.456 9.533 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.110 -0.398 11.780 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.571 0.402 11.533 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.216 -1.548 12.916 1.00 0.00 H new ATOM 0 HG3 ARG A 49 2.456 -1.823 11.361 1.00 0.00 H new ATOM 0 HD2 ARG A 49 4.151 -3.324 10.652 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.292 -2.754 11.853 1.00 0.00 H new ATOM 0 HE ARG A 49 3.007 -3.858 13.192 1.00 0.00 H new ATOM 0 HH11 ARG A 49 5.808 -4.788 11.257 1.00 0.00 H new ATOM 0 HH12 ARG A 49 5.920 -6.396 11.981 1.00 0.00 H new ATOM 0 HH21 ARG A 49 3.157 -5.923 14.119 1.00 0.00 H new ATOM 0 HH22 ARG A 49 4.425 -7.036 13.595 1.00 0.00 H new ATOM 800 N GLN A 50 2.301 0.497 9.023 1.00 0.00 N ATOM 801 CA GLN A 50 0.996 0.560 8.376 1.00 0.00 C ATOM 802 C GLN A 50 1.064 0.001 6.958 1.00 0.00 C ATOM 803 O GLN A 50 0.250 -0.838 6.572 1.00 0.00 O ATOM 804 CB GLN A 50 0.488 2.002 8.344 1.00 0.00 C ATOM 805 CG GLN A 50 -0.040 2.491 9.683 1.00 0.00 C ATOM 806 CD GLN A 50 -1.155 3.508 9.535 1.00 0.00 C ATOM 807 OE1 GLN A 50 -2.333 3.153 9.494 1.00 0.00 O ATOM 808 NE2 GLN A 50 -0.788 4.781 9.454 1.00 0.00 N ATOM 0 H GLN A 50 2.615 1.380 9.427 1.00 0.00 H new ATOM 0 HA GLN A 50 0.302 -0.049 8.955 1.00 0.00 H new ATOM 0 HB2 GLN A 50 1.298 2.657 8.021 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -0.304 2.083 7.599 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -0.404 1.640 10.258 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.778 2.934 10.252 1.00 0.00 H new ATOM 0 HE21 GLN A 50 0.200 5.030 9.492 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -1.494 5.510 9.353 1.00 0.00 H new ATOM 817 N ILE A 51 2.039 0.471 6.188 1.00 0.00 N ATOM 818 CA ILE A 51 2.213 0.018 4.814 1.00 0.00 C ATOM 819 C ILE A 51 2.532 -1.473 4.763 1.00 0.00 C ATOM 820 O ILE A 51 2.161 -2.167 3.816 1.00 0.00 O ATOM 821 CB ILE A 51 3.335 0.796 4.102 1.00 0.00 C ATOM 822 CG1 ILE A 51 3.026 2.294 4.102 1.00 0.00 C ATOM 823 CG2 ILE A 51 3.513 0.286 2.680 1.00 0.00 C ATOM 824 CD1 ILE A 51 4.222 3.159 3.771 1.00 0.00 C ATOM 0 H ILE A 51 2.721 1.166 6.493 1.00 0.00 H new ATOM 0 HA ILE A 51 1.270 0.204 4.299 1.00 0.00 H new ATOM 0 HB ILE A 51 4.268 0.637 4.643 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.233 2.493 3.381 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.643 2.578 5.082 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.310 0.846 2.190 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.774 -0.772 2.703 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.583 0.418 2.127 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.928 4.209 3.790 1.00 0.00 H new ATOM 0 HD12 ILE A 51 5.008 2.989 4.506 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.592 2.903 2.778 1.00 0.00 H new ATOM 836 N THR A 52 3.222 -1.960 5.790 1.00 0.00 N ATOM 837 CA THR A 52 3.591 -3.368 5.864 1.00 0.00 C ATOM 838 C THR A 52 2.375 -4.240 6.153 1.00 0.00 C ATOM 839 O THR A 52 2.130 -5.229 5.461 1.00 0.00 O ATOM 840 CB THR A 52 4.656 -3.614 6.949 1.00 0.00 C ATOM 841 OG1 THR A 52 5.782 -2.756 6.734 1.00 0.00 O ATOM 842 CG2 THR A 52 5.109 -5.066 6.944 1.00 0.00 C ATOM 0 H THR A 52 3.536 -1.400 6.582 1.00 0.00 H new ATOM 0 HA THR A 52 4.005 -3.638 4.893 1.00 0.00 H new ATOM 0 HB THR A 52 4.212 -3.393 7.919 1.00 0.00 H new ATOM 0 HG1 THR A 52 5.552 -1.841 7.001 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.861 -5.215 7.719 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.255 -5.714 7.138 1.00 0.00 H new ATOM 0 HG23 THR A 52 5.536 -5.310 5.972 1.00 0.00 H new ATOM 850 N ILE A 53 1.617 -3.869 7.179 1.00 0.00 N ATOM 851 CA ILE A 53 0.425 -4.617 7.559 1.00 0.00 C ATOM 852 C ILE A 53 -0.490 -4.838 6.359 1.00 0.00 C ATOM 853 O ILE A 53 -1.004 -5.938 6.152 1.00 0.00 O ATOM 854 CB ILE A 53 -0.364 -3.895 8.666 1.00 0.00 C ATOM 855 CG1 ILE A 53 0.515 -3.698 9.903 1.00 0.00 C ATOM 856 CG2 ILE A 53 -1.618 -4.680 9.021 1.00 0.00 C ATOM 857 CD1 ILE A 53 0.020 -2.607 10.828 1.00 0.00 C ATOM 0 H ILE A 53 1.807 -3.054 7.763 1.00 0.00 H new ATOM 0 HA ILE A 53 0.764 -5.581 7.937 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.665 -2.915 8.297 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.566 -4.636 10.456 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.530 -3.460 9.584 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.165 -4.157 9.805 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.250 -4.774 8.138 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.338 -5.672 9.374 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.691 -2.523 11.683 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.005 -1.659 10.291 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.983 -2.853 11.177 1.00 0.00 H new ATOM 869 N TRP A 54 -0.688 -3.787 5.572 1.00 0.00 N ATOM 870 CA TRP A 54 -1.540 -3.867 4.391 1.00 0.00 C ATOM 871 C TRP A 54 -1.052 -4.955 3.440 1.00 0.00 C ATOM 872 O TRP A 54 -1.818 -5.831 3.038 1.00 0.00 O ATOM 873 CB TRP A 54 -1.574 -2.519 3.669 1.00 0.00 C ATOM 874 CG TRP A 54 -2.614 -2.448 2.592 1.00 0.00 C ATOM 875 CD1 TRP A 54 -3.882 -1.956 2.707 1.00 0.00 C ATOM 876 CD2 TRP A 54 -2.473 -2.886 1.236 1.00 0.00 C ATOM 877 NE1 TRP A 54 -4.539 -2.061 1.505 1.00 0.00 N ATOM 878 CE2 TRP A 54 -3.696 -2.628 0.586 1.00 0.00 C ATOM 879 CE3 TRP A 54 -1.433 -3.469 0.507 1.00 0.00 C ATOM 880 CZ2 TRP A 54 -3.904 -2.934 -0.756 1.00 0.00 C ATOM 881 CZ3 TRP A 54 -1.642 -3.773 -0.825 1.00 0.00 C ATOM 882 CH2 TRP A 54 -2.869 -3.505 -1.446 1.00 0.00 C ATOM 0 H TRP A 54 -0.271 -2.870 5.730 1.00 0.00 H new ATOM 0 HA TRP A 54 -2.548 -4.122 4.718 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -1.761 -1.730 4.397 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.595 -2.324 3.232 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.307 -1.544 3.611 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -5.499 -1.765 1.326 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.483 -3.678 0.976 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -4.849 -2.728 -1.236 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.845 -4.225 -1.397 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -3.001 -3.754 -2.489 1.00 0.00 H new ATOM 893 N PHE A 55 0.227 -4.893 3.084 1.00 0.00 N ATOM 894 CA PHE A 55 0.817 -5.873 2.179 1.00 0.00 C ATOM 895 C PHE A 55 0.612 -7.290 2.704 1.00 0.00 C ATOM 896 O PHE A 55 0.449 -8.232 1.929 1.00 0.00 O ATOM 897 CB PHE A 55 2.310 -5.595 1.995 1.00 0.00 C ATOM 898 CG PHE A 55 2.609 -4.643 0.872 1.00 0.00 C ATOM 899 CD1 PHE A 55 2.104 -3.353 0.886 1.00 0.00 C ATOM 900 CD2 PHE A 55 3.396 -5.039 -0.197 1.00 0.00 C ATOM 901 CE1 PHE A 55 2.377 -2.477 -0.147 1.00 0.00 C ATOM 902 CE2 PHE A 55 3.674 -4.166 -1.233 1.00 0.00 C ATOM 903 CZ PHE A 55 3.164 -2.883 -1.207 1.00 0.00 C ATOM 0 H PHE A 55 0.875 -4.175 3.408 1.00 0.00 H new ATOM 0 HA PHE A 55 0.318 -5.787 1.214 1.00 0.00 H new ATOM 0 HB2 PHE A 55 2.713 -5.188 2.923 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.827 -6.537 1.810 1.00 0.00 H new ATOM 0 HD1 PHE A 55 1.490 -3.029 1.713 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.797 -6.041 -0.222 1.00 0.00 H new ATOM 0 HE1 PHE A 55 1.975 -1.475 -0.126 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.289 -4.487 -2.061 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.380 -2.198 -2.014 1.00 0.00 H new ATOM 913 N GLN A 56 0.623 -7.433 4.026 1.00 0.00 N ATOM 914 CA GLN A 56 0.441 -8.735 4.655 1.00 0.00 C ATOM 915 C GLN A 56 -0.996 -9.220 4.495 1.00 0.00 C ATOM 916 O GLN A 56 -1.238 -10.322 4.003 1.00 0.00 O ATOM 917 CB GLN A 56 0.805 -8.664 6.139 1.00 0.00 C ATOM 918 CG GLN A 56 2.299 -8.551 6.394 1.00 0.00 C ATOM 919 CD GLN A 56 2.617 -7.835 7.691 1.00 0.00 C ATOM 920 OE1 GLN A 56 2.782 -6.614 7.716 1.00 0.00 O ATOM 921 NE2 GLN A 56 2.706 -8.591 8.779 1.00 0.00 N ATOM 0 H GLN A 56 0.756 -6.663 4.681 1.00 0.00 H new ATOM 0 HA GLN A 56 1.103 -9.445 4.160 1.00 0.00 H new ATOM 0 HB2 GLN A 56 0.302 -7.807 6.587 1.00 0.00 H new ATOM 0 HB3 GLN A 56 0.425 -9.554 6.641 1.00 0.00 H new ATOM 0 HG2 GLN A 56 2.736 -9.549 6.418 1.00 0.00 H new ATOM 0 HG3 GLN A 56 2.766 -8.018 5.565 1.00 0.00 H new ATOM 0 HE21 GLN A 56 2.562 -9.599 8.713 1.00 0.00 H new ATOM 0 HE22 GLN A 56 2.918 -8.164 9.681 1.00 0.00 H new ATOM 930 N ASN A 57 -1.946 -8.391 4.914 1.00 0.00 N ATOM 931 CA ASN A 57 -3.360 -8.736 4.817 1.00 0.00 C ATOM 932 C ASN A 57 -3.717 -9.176 3.401 1.00 0.00 C ATOM 933 O ASN A 57 -4.619 -9.990 3.202 1.00 0.00 O ATOM 934 CB ASN A 57 -4.226 -7.543 5.227 1.00 0.00 C ATOM 935 CG ASN A 57 -4.535 -7.535 6.712 1.00 0.00 C ATOM 936 OD1 ASN A 57 -5.692 -7.639 7.117 1.00 0.00 O ATOM 937 ND2 ASN A 57 -3.497 -7.410 7.530 1.00 0.00 N ATOM 0 H ASN A 57 -1.763 -7.475 5.324 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.553 -9.567 5.495 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -3.715 -6.618 4.960 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.159 -7.565 4.665 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -3.642 -7.397 8.540 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -2.555 -7.327 7.149 1.00 0.00 H new ATOM 944 N ARG A 58 -3.003 -8.633 2.421 1.00 0.00 N ATOM 945 CA ARG A 58 -3.245 -8.969 1.023 1.00 0.00 C ATOM 946 C ARG A 58 -2.744 -10.375 0.707 1.00 0.00 C ATOM 947 O ARG A 58 -3.502 -11.225 0.239 1.00 0.00 O ATOM 948 CB ARG A 58 -2.559 -7.954 0.106 1.00 0.00 C ATOM 949 CG ARG A 58 -3.287 -7.732 -1.209 1.00 0.00 C ATOM 950 CD ARG A 58 -4.667 -7.131 -0.987 1.00 0.00 C ATOM 951 NE ARG A 58 -5.228 -6.581 -2.218 1.00 0.00 N ATOM 952 CZ ARG A 58 -5.765 -7.327 -3.178 1.00 0.00 C ATOM 953 NH1 ARG A 58 -5.812 -8.645 -3.050 1.00 0.00 N ATOM 954 NH2 ARG A 58 -6.256 -6.753 -4.269 1.00 0.00 N ATOM 0 H ARG A 58 -2.252 -7.959 2.569 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.321 -8.937 0.849 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -2.475 -7.002 0.630 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -1.544 -8.293 -0.103 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.699 -7.070 -1.845 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.383 -8.680 -1.738 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.337 -7.896 -0.593 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.603 -6.345 -0.235 1.00 0.00 H new ATOM 0 HE ARG A 58 -5.207 -5.570 -2.348 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -5.435 -9.090 -2.213 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.225 -9.215 -3.789 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -6.221 -5.739 -4.371 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -6.668 -7.326 -5.005 1.00 0.00 H new ATOM 968 N ARG A 59 -1.462 -10.613 0.966 1.00 0.00 N ATOM 969 CA ARG A 59 -0.859 -11.916 0.708 1.00 0.00 C ATOM 970 C ARG A 59 -1.516 -12.997 1.561 1.00 0.00 C ATOM 971 O ARG A 59 -1.524 -14.172 1.194 1.00 0.00 O ATOM 972 CB ARG A 59 0.644 -11.871 0.990 1.00 0.00 C ATOM 973 CG ARG A 59 1.490 -11.637 -0.250 1.00 0.00 C ATOM 974 CD ARG A 59 1.966 -12.949 -0.855 1.00 0.00 C ATOM 975 NE ARG A 59 2.905 -13.646 0.019 1.00 0.00 N ATOM 976 CZ ARG A 59 3.555 -14.750 -0.332 1.00 0.00 C ATOM 977 NH1 ARG A 59 3.369 -15.279 -1.533 1.00 0.00 N ATOM 978 NH2 ARG A 59 4.395 -15.326 0.519 1.00 0.00 N ATOM 0 H ARG A 59 -0.821 -9.921 1.354 1.00 0.00 H new ATOM 0 HA ARG A 59 -1.017 -12.160 -0.342 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.846 -11.080 1.712 1.00 0.00 H new ATOM 0 HB3 ARG A 59 0.946 -12.810 1.454 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.910 -11.084 -0.989 1.00 0.00 H new ATOM 0 HG3 ARG A 59 2.351 -11.020 0.007 1.00 0.00 H new ATOM 0 HD2 ARG A 59 1.107 -13.591 -1.050 1.00 0.00 H new ATOM 0 HD3 ARG A 59 2.442 -12.753 -1.816 1.00 0.00 H new ATOM 0 HE ARG A 59 3.071 -13.264 0.950 1.00 0.00 H new ATOM 0 HH11 ARG A 59 2.725 -14.838 -2.190 1.00 0.00 H new ATOM 0 HH12 ARG A 59 3.869 -16.127 -1.800 1.00 0.00 H new ATOM 0 HH21 ARG A 59 4.542 -14.921 1.444 1.00 0.00 H new ATOM 0 HH22 ARG A 59 4.894 -16.174 0.248 1.00 0.00 H new ATOM 992 N VAL A 60 -2.065 -12.592 2.702 1.00 0.00 N ATOM 993 CA VAL A 60 -2.725 -13.525 3.607 1.00 0.00 C ATOM 994 C VAL A 60 -4.169 -13.773 3.185 1.00 0.00 C ATOM 995 O VAL A 60 -4.764 -14.792 3.535 1.00 0.00 O ATOM 996 CB VAL A 60 -2.706 -13.008 5.058 1.00 0.00 C ATOM 997 CG1 VAL A 60 -3.433 -13.976 5.979 1.00 0.00 C ATOM 998 CG2 VAL A 60 -1.276 -12.786 5.526 1.00 0.00 C ATOM 0 H VAL A 60 -2.066 -11.623 3.021 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.170 -14.462 3.556 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.227 -12.051 5.091 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.409 -13.594 7.000 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.468 -14.079 5.654 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.943 -14.949 5.944 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.282 -12.421 6.553 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.727 -13.727 5.478 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.792 -12.051 4.882 1.00 0.00 H new