USER MOD reduce.3.24.130724 H: found=0, std=0, add=423, rem=0, adj=9 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 Single : A 14 TYR OH : rot 180:sc= 0 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= -2.03 K(o=-2,f=-0.25) USER MOD Single : A 26 TYR OH : rot -129:sc= -1.54 USER MOD Single : A 29 ASN : amide:sc= 0.466 K(o=0.47,f=-0.17) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.276 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 67:sc= 1.27 USER MOD Single : A 44 THR OG1 : rot -76:sc= -1.32! 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 50 GLN : amide:sc= -0.0814 X(o=-0.081,f=-0.0013) USER MOD Single : A 52 THR OG1 : rot 84:sc= 0.142 USER MOD Single : A 56 GLN : amide:sc= -0.117 K(o=-0.12,f=-1.4!) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 177 N PRO A 13 -9.960 1.497 6.256 1.00 0.00 N ATOM 178 CA PRO A 13 -9.101 2.684 6.270 1.00 0.00 C ATOM 179 C PRO A 13 -8.340 2.865 4.961 1.00 0.00 C ATOM 180 O PRO A 13 -8.609 2.178 3.976 1.00 0.00 O ATOM 181 CB PRO A 13 -8.129 2.406 7.420 1.00 0.00 C ATOM 182 CG PRO A 13 -8.076 0.920 7.519 1.00 0.00 C ATOM 183 CD PRO A 13 -9.347 0.359 6.962 1.00 0.00 C ATOM 0 HA PRO A 13 -9.677 3.601 6.393 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -7.144 2.825 7.216 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -8.478 2.853 8.351 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -7.219 0.534 6.967 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -7.951 0.614 8.558 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -9.153 -0.473 6.285 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -9.997 -0.018 7.752 1.00 0.00 H new ATOM 191 N TYR A 14 -7.388 3.792 4.959 1.00 0.00 N ATOM 192 CA TYR A 14 -6.589 4.064 3.770 1.00 0.00 C ATOM 193 C TYR A 14 -7.459 4.609 2.642 1.00 0.00 C ATOM 194 O TYR A 14 -8.294 3.895 2.086 1.00 0.00 O ATOM 195 CB TYR A 14 -5.874 2.792 3.309 1.00 0.00 C ATOM 196 CG TYR A 14 -5.159 2.062 4.423 1.00 0.00 C ATOM 197 CD1 TYR A 14 -4.070 2.635 5.069 1.00 0.00 C ATOM 198 CD2 TYR A 14 -5.572 0.799 4.830 1.00 0.00 C ATOM 199 CE1 TYR A 14 -3.413 1.971 6.087 1.00 0.00 C ATOM 200 CE2 TYR A 14 -4.922 0.128 5.847 1.00 0.00 C ATOM 201 CZ TYR A 14 -3.843 0.718 6.473 1.00 0.00 C ATOM 202 OH TYR A 14 -3.192 0.054 7.487 1.00 0.00 O ATOM 0 H TYR A 14 -7.151 4.367 5.767 1.00 0.00 H new ATOM 0 HA TYR A 14 -5.845 4.818 4.027 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.602 2.120 2.855 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -5.153 3.051 2.534 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -3.732 3.616 4.770 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -6.416 0.334 4.342 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -2.568 2.430 6.578 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -5.256 -0.853 6.151 1.00 0.00 H new ATOM 0 HH TYR A 14 -3.620 -0.815 7.637 1.00 0.00 H new ATOM 212 N SER A 15 -7.256 5.880 2.308 1.00 0.00 N ATOM 213 CA SER A 15 -8.024 6.524 1.249 1.00 0.00 C ATOM 214 C SER A 15 -7.564 6.042 -0.124 1.00 0.00 C ATOM 215 O SER A 15 -6.488 5.460 -0.263 1.00 0.00 O ATOM 216 CB SER A 15 -7.885 8.044 1.341 1.00 0.00 C ATOM 217 OG SER A 15 -8.740 8.575 2.339 1.00 0.00 O ATOM 0 H SER A 15 -6.566 6.484 2.756 1.00 0.00 H new ATOM 0 HA SER A 15 -9.072 6.254 1.378 1.00 0.00 H new ATOM 0 HB2 SER A 15 -6.851 8.305 1.567 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.123 8.493 0.377 1.00 0.00 H new ATOM 0 HG SER A 15 -8.631 9.548 2.379 1.00 0.00 H new ATOM 223 N LYS A 16 -8.387 6.290 -1.137 1.00 0.00 N ATOM 224 CA LYS A 16 -8.067 5.884 -2.501 1.00 0.00 C ATOM 225 C LYS A 16 -6.677 6.369 -2.900 1.00 0.00 C ATOM 226 O LYS A 16 -5.964 5.694 -3.642 1.00 0.00 O ATOM 227 CB LYS A 16 -9.110 6.434 -3.476 1.00 0.00 C ATOM 228 CG LYS A 16 -10.441 5.705 -3.418 1.00 0.00 C ATOM 229 CD LYS A 16 -11.438 6.283 -4.408 1.00 0.00 C ATOM 230 CE LYS A 16 -11.166 5.794 -5.823 1.00 0.00 C ATOM 231 NZ LYS A 16 -11.996 6.514 -6.828 1.00 0.00 N ATOM 0 H LYS A 16 -9.281 6.771 -1.039 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.079 4.795 -2.542 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.274 7.490 -3.262 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -8.715 6.372 -4.490 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -10.287 4.647 -3.631 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -10.849 5.771 -2.409 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -12.449 6.003 -4.113 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -11.389 7.372 -4.382 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -10.111 5.932 -6.058 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -11.369 4.725 -5.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -11.781 6.152 -7.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -13.003 6.362 -6.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -11.784 7.531 -6.789 1.00 0.00 H new ATOM 245 N GLY A 17 -6.298 7.541 -2.402 1.00 0.00 N ATOM 246 CA GLY A 17 -4.994 8.095 -2.718 1.00 0.00 C ATOM 247 C GLY A 17 -3.863 7.314 -2.079 1.00 0.00 C ATOM 248 O GLY A 17 -2.778 7.201 -2.650 1.00 0.00 O ATOM 0 H GLY A 17 -6.870 8.117 -1.785 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.859 8.105 -3.800 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.951 9.131 -2.382 1.00 0.00 H new ATOM 252 N GLN A 18 -4.115 6.775 -0.890 1.00 0.00 N ATOM 253 CA GLN A 18 -3.108 6.003 -0.172 1.00 0.00 C ATOM 254 C GLN A 18 -3.021 4.581 -0.718 1.00 0.00 C ATOM 255 O GLN A 18 -1.929 4.061 -0.954 1.00 0.00 O ATOM 256 CB GLN A 18 -3.430 5.969 1.322 1.00 0.00 C ATOM 257 CG GLN A 18 -3.382 7.336 1.986 1.00 0.00 C ATOM 258 CD GLN A 18 -3.733 7.282 3.460 1.00 0.00 C ATOM 259 OE1 GLN A 18 -4.534 8.079 3.948 1.00 0.00 O ATOM 260 NE2 GLN A 18 -3.135 6.338 4.177 1.00 0.00 N ATOM 0 H GLN A 18 -5.008 6.859 -0.404 1.00 0.00 H new ATOM 0 HA GLN A 18 -2.143 6.488 -0.317 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.423 5.541 1.462 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -2.724 5.306 1.822 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -2.383 7.757 1.869 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.073 8.008 1.476 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -2.477 5.698 3.731 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -3.333 6.252 5.174 1.00 0.00 H new ATOM 269 N LEU A 19 -4.177 3.957 -0.916 1.00 0.00 N ATOM 270 CA LEU A 19 -4.232 2.594 -1.434 1.00 0.00 C ATOM 271 C LEU A 19 -3.744 2.540 -2.878 1.00 0.00 C ATOM 272 O LEU A 19 -3.271 1.504 -3.345 1.00 0.00 O ATOM 273 CB LEU A 19 -5.659 2.051 -1.345 1.00 0.00 C ATOM 274 CG LEU A 19 -6.274 2.006 0.054 1.00 0.00 C ATOM 275 CD1 LEU A 19 -7.792 1.980 -0.031 1.00 0.00 C ATOM 276 CD2 LEU A 19 -5.760 0.798 0.824 1.00 0.00 C ATOM 0 H LEU A 19 -5.089 4.373 -0.726 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.575 1.973 -0.825 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.299 2.662 -1.982 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.669 1.042 -1.757 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.976 2.907 0.590 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.212 1.948 0.974 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.143 2.876 -0.543 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.110 1.097 -0.586 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.208 0.782 1.817 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.027 -0.114 0.291 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.676 0.860 0.916 1.00 0.00 H new ATOM 288 N ARG A 20 -3.860 3.664 -3.578 1.00 0.00 N ATOM 289 CA ARG A 20 -3.430 3.745 -4.969 1.00 0.00 C ATOM 290 C ARG A 20 -1.949 3.401 -5.101 1.00 0.00 C ATOM 291 O ARG A 20 -1.522 2.833 -6.106 1.00 0.00 O ATOM 292 CB ARG A 20 -3.690 5.146 -5.525 1.00 0.00 C ATOM 293 CG ARG A 20 -3.099 5.373 -6.907 1.00 0.00 C ATOM 294 CD ARG A 20 -3.292 6.809 -7.366 1.00 0.00 C ATOM 295 NE ARG A 20 -4.490 6.965 -8.187 1.00 0.00 N ATOM 296 CZ ARG A 20 -4.544 6.647 -9.475 1.00 0.00 C ATOM 297 NH1 ARG A 20 -3.475 6.156 -10.086 1.00 0.00 N ATOM 298 NH2 ARG A 20 -5.671 6.817 -10.155 1.00 0.00 N ATOM 0 H ARG A 20 -4.248 4.531 -3.205 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.007 3.021 -5.544 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.766 5.317 -5.567 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.276 5.883 -4.837 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -2.036 5.134 -6.893 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -3.568 4.696 -7.620 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.362 7.461 -6.496 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -2.419 7.128 -7.935 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.331 7.339 -7.747 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -2.608 6.021 -9.567 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -3.520 5.913 -11.076 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.497 7.192 -9.688 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -5.711 6.572 -11.144 1.00 0.00 H new ATOM 312 N GLU A 21 -1.172 3.749 -4.080 1.00 0.00 N ATOM 313 CA GLU A 21 0.260 3.478 -4.083 1.00 0.00 C ATOM 314 C GLU A 21 0.550 2.077 -3.554 1.00 0.00 C ATOM 315 O GLU A 21 1.440 1.384 -4.050 1.00 0.00 O ATOM 316 CB GLU A 21 1.001 4.517 -3.239 1.00 0.00 C ATOM 317 CG GLU A 21 0.788 5.947 -3.709 1.00 0.00 C ATOM 318 CD GLU A 21 1.022 6.112 -5.198 1.00 0.00 C ATOM 319 OE1 GLU A 21 2.045 5.602 -5.699 1.00 0.00 O ATOM 320 OE2 GLU A 21 0.180 6.753 -5.863 1.00 0.00 O ATOM 0 H GLU A 21 -1.511 4.219 -3.241 1.00 0.00 H new ATOM 0 HA GLU A 21 0.612 3.539 -5.113 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.674 4.431 -2.203 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.068 4.293 -3.256 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.229 6.257 -3.468 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.461 6.609 -3.164 1.00 0.00 H new ATOM 327 N LEU A 22 -0.206 1.665 -2.542 1.00 0.00 N ATOM 328 CA LEU A 22 -0.031 0.346 -1.943 1.00 0.00 C ATOM 329 C LEU A 22 -0.366 -0.755 -2.944 1.00 0.00 C ATOM 330 O LEU A 22 0.403 -1.699 -3.122 1.00 0.00 O ATOM 331 CB LEU A 22 -0.913 0.208 -0.701 1.00 0.00 C ATOM 332 CG LEU A 22 -0.591 1.150 0.459 1.00 0.00 C ATOM 333 CD1 LEU A 22 -1.749 1.201 1.443 1.00 0.00 C ATOM 334 CD2 LEU A 22 0.688 0.716 1.160 1.00 0.00 C ATOM 0 H LEU A 22 -0.946 2.225 -2.119 1.00 0.00 H new ATOM 0 HA LEU A 22 1.014 0.241 -1.652 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.950 0.369 -0.997 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.840 -0.818 -0.340 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.439 2.151 0.056 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.501 1.877 2.262 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.643 1.560 0.934 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.934 0.203 1.840 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.901 1.398 1.983 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.565 -0.295 1.549 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.515 0.733 0.451 1.00 0.00 H new ATOM 346 N GLU A 23 -1.518 -0.626 -3.595 1.00 0.00 N ATOM 347 CA GLU A 23 -1.953 -1.610 -4.579 1.00 0.00 C ATOM 348 C GLU A 23 -0.995 -1.653 -5.766 1.00 0.00 C ATOM 349 O GLU A 23 -0.598 -2.727 -6.219 1.00 0.00 O ATOM 350 CB GLU A 23 -3.369 -1.288 -5.063 1.00 0.00 C ATOM 351 CG GLU A 23 -4.421 -1.378 -3.971 1.00 0.00 C ATOM 352 CD GLU A 23 -5.766 -0.833 -4.410 1.00 0.00 C ATOM 353 OE1 GLU A 23 -5.792 0.020 -5.322 1.00 0.00 O ATOM 354 OE2 GLU A 23 -6.793 -1.259 -3.841 1.00 0.00 O ATOM 0 H GLU A 23 -2.166 0.150 -3.459 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.954 -2.589 -4.100 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -3.380 -0.283 -5.484 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.633 -1.974 -5.868 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.536 -2.419 -3.668 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.078 -0.827 -3.095 1.00 0.00 H new ATOM 361 N ARG A 24 -0.629 -0.477 -6.266 1.00 0.00 N ATOM 362 CA ARG A 24 0.280 -0.379 -7.402 1.00 0.00 C ATOM 363 C ARG A 24 1.598 -1.090 -7.105 1.00 0.00 C ATOM 364 O ARG A 24 2.050 -1.928 -7.884 1.00 0.00 O ATOM 365 CB ARG A 24 0.545 1.087 -7.746 1.00 0.00 C ATOM 366 CG ARG A 24 -0.400 1.647 -8.796 1.00 0.00 C ATOM 367 CD ARG A 24 0.291 2.678 -9.675 1.00 0.00 C ATOM 368 NE ARG A 24 0.910 2.069 -10.849 1.00 0.00 N ATOM 369 CZ ARG A 24 0.220 1.582 -11.874 1.00 0.00 C ATOM 370 NH1 ARG A 24 -1.105 1.633 -11.870 1.00 0.00 N ATOM 371 NH2 ARG A 24 0.855 1.043 -12.907 1.00 0.00 N ATOM 0 H ARG A 24 -0.948 0.421 -5.902 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.192 -0.865 -8.256 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.462 1.685 -6.839 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.570 1.188 -8.101 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.779 0.835 -9.416 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.261 2.103 -8.306 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.434 3.426 -9.995 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.051 3.199 -9.093 1.00 0.00 H new ATOM 0 HE ARG A 24 1.928 2.015 -10.884 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.597 2.047 -11.078 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -1.632 1.258 -12.659 1.00 0.00 H new ATOM 0 HH21 ARG A 24 1.874 1.002 -12.914 1.00 0.00 H new ATOM 0 HH22 ARG A 24 0.324 0.669 -13.694 1.00 0.00 H new ATOM 385 N GLU A 25 2.208 -0.746 -5.975 1.00 0.00 N ATOM 386 CA GLU A 25 3.475 -1.350 -5.578 1.00 0.00 C ATOM 387 C GLU A 25 3.337 -2.864 -5.444 1.00 0.00 C ATOM 388 O GLU A 25 4.219 -3.617 -5.859 1.00 0.00 O ATOM 389 CB GLU A 25 3.957 -0.752 -4.255 1.00 0.00 C ATOM 390 CG GLU A 25 4.905 0.423 -4.427 1.00 0.00 C ATOM 391 CD GLU A 25 4.474 1.361 -5.538 1.00 0.00 C ATOM 392 OE1 GLU A 25 4.815 1.089 -6.709 1.00 0.00 O ATOM 393 OE2 GLU A 25 3.798 2.366 -5.237 1.00 0.00 O ATOM 0 H GLU A 25 1.846 -0.054 -5.319 1.00 0.00 H new ATOM 0 HA GLU A 25 4.210 -1.137 -6.354 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.092 -0.428 -3.676 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.456 -1.529 -3.675 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.964 0.978 -3.491 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.907 0.049 -4.640 1.00 0.00 H new ATOM 400 N TYR A 26 2.226 -3.302 -4.863 1.00 0.00 N ATOM 401 CA TYR A 26 1.973 -4.725 -4.672 1.00 0.00 C ATOM 402 C TYR A 26 2.086 -5.481 -5.992 1.00 0.00 C ATOM 403 O TYR A 26 2.776 -6.495 -6.083 1.00 0.00 O ATOM 404 CB TYR A 26 0.587 -4.941 -4.064 1.00 0.00 C ATOM 405 CG TYR A 26 0.353 -6.353 -3.575 1.00 0.00 C ATOM 406 CD1 TYR A 26 0.202 -7.404 -4.471 1.00 0.00 C ATOM 407 CD2 TYR A 26 0.284 -6.636 -2.216 1.00 0.00 C ATOM 408 CE1 TYR A 26 -0.013 -8.695 -4.029 1.00 0.00 C ATOM 409 CE2 TYR A 26 0.072 -7.924 -1.765 1.00 0.00 C ATOM 410 CZ TYR A 26 -0.077 -8.950 -2.675 1.00 0.00 C ATOM 411 OH TYR A 26 -0.289 -10.235 -2.230 1.00 0.00 O ATOM 0 H TYR A 26 1.486 -2.692 -4.516 1.00 0.00 H new ATOM 0 HA TYR A 26 2.727 -5.113 -3.987 1.00 0.00 H new ATOM 0 HB2 TYR A 26 0.453 -4.250 -3.231 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.170 -4.693 -4.808 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.254 -7.208 -5.532 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.398 -5.835 -1.501 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -0.130 -9.500 -4.739 1.00 0.00 H new ATOM 0 HE2 TYR A 26 0.023 -8.127 -0.705 1.00 0.00 H new ATOM 0 HH TYR A 26 -1.027 -10.240 -1.586 1.00 0.00 H new ATOM 421 N ALA A 27 1.401 -4.978 -7.014 1.00 0.00 N ATOM 422 CA ALA A 27 1.425 -5.602 -8.331 1.00 0.00 C ATOM 423 C ALA A 27 2.856 -5.841 -8.800 1.00 0.00 C ATOM 424 O ALA A 27 3.155 -6.861 -9.420 1.00 0.00 O ATOM 425 CB ALA A 27 0.675 -4.742 -9.337 1.00 0.00 C ATOM 0 H ALA A 27 0.823 -4.140 -6.955 1.00 0.00 H new ATOM 0 HA ALA A 27 0.929 -6.570 -8.255 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.701 -5.221 -10.316 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.361 -4.627 -9.017 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.146 -3.761 -9.400 1.00 0.00 H new ATOM 431 N ALA A 28 3.738 -4.892 -8.500 1.00 0.00 N ATOM 432 CA ALA A 28 5.138 -5.000 -8.890 1.00 0.00 C ATOM 433 C ALA A 28 5.856 -6.066 -8.069 1.00 0.00 C ATOM 434 O ALA A 28 6.710 -6.788 -8.582 1.00 0.00 O ATOM 435 CB ALA A 28 5.834 -3.656 -8.736 1.00 0.00 C ATOM 0 H ALA A 28 3.507 -4.040 -7.988 1.00 0.00 H new ATOM 0 HA ALA A 28 5.175 -5.299 -9.938 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.879 -3.752 -9.031 1.00 0.00 H new ATOM 0 HB2 ALA A 28 5.344 -2.918 -9.371 1.00 0.00 H new ATOM 0 HB3 ALA A 28 5.778 -3.335 -7.696 1.00 0.00 H new ATOM 441 N ASN A 29 5.504 -6.159 -6.791 1.00 0.00 N ATOM 442 CA ASN A 29 6.116 -7.136 -5.898 1.00 0.00 C ATOM 443 C ASN A 29 5.402 -7.164 -4.550 1.00 0.00 C ATOM 444 O ASN A 29 5.252 -6.134 -3.893 1.00 0.00 O ATOM 445 CB ASN A 29 7.598 -6.816 -5.696 1.00 0.00 C ATOM 446 CG ASN A 29 7.874 -5.324 -5.709 1.00 0.00 C ATOM 447 OD1 ASN A 29 8.497 -4.805 -6.635 1.00 0.00 O ATOM 448 ND2 ASN A 29 7.410 -4.628 -4.678 1.00 0.00 N ATOM 0 H ASN A 29 4.798 -5.569 -6.350 1.00 0.00 H new ATOM 0 HA ASN A 29 6.023 -8.119 -6.359 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.932 -7.236 -4.747 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.181 -7.298 -6.481 1.00 0.00 H new ATOM 0 HD21 ASN A 29 7.565 -3.621 -4.631 1.00 0.00 H new ATOM 0 HD22 ASN A 29 6.899 -5.100 -3.933 1.00 0.00 H new ATOM 455 N LYS A 30 4.963 -8.351 -4.143 1.00 0.00 N ATOM 456 CA LYS A 30 4.267 -8.515 -2.873 1.00 0.00 C ATOM 457 C LYS A 30 5.189 -8.197 -1.701 1.00 0.00 C ATOM 458 O LYS A 30 4.731 -7.832 -0.618 1.00 0.00 O ATOM 459 CB LYS A 30 3.733 -9.944 -2.742 1.00 0.00 C ATOM 460 CG LYS A 30 3.053 -10.457 -4.000 1.00 0.00 C ATOM 461 CD LYS A 30 2.290 -11.744 -3.736 1.00 0.00 C ATOM 462 CE LYS A 30 2.069 -12.534 -5.017 1.00 0.00 C ATOM 463 NZ LYS A 30 1.715 -13.953 -4.739 1.00 0.00 N ATOM 0 H LYS A 30 5.077 -9.214 -4.675 1.00 0.00 H new ATOM 0 HA LYS A 30 3.430 -7.817 -2.853 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.558 -10.609 -2.488 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.025 -9.984 -1.914 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.368 -9.699 -4.380 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.800 -10.628 -4.775 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.841 -12.355 -3.021 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.328 -11.511 -3.281 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.273 -12.068 -5.598 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.972 -12.498 -5.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 1.573 -14.458 -5.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.485 -14.405 -4.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 0.839 -13.989 -4.179 1.00 0.00 H new ATOM 477 N PHE A 31 6.492 -8.335 -1.925 1.00 0.00 N ATOM 478 CA PHE A 31 7.479 -8.061 -0.887 1.00 0.00 C ATOM 479 C PHE A 31 8.324 -6.843 -1.248 1.00 0.00 C ATOM 480 O PHE A 31 9.349 -6.962 -1.921 1.00 0.00 O ATOM 481 CB PHE A 31 8.383 -9.279 -0.679 1.00 0.00 C ATOM 482 CG PHE A 31 7.648 -10.494 -0.188 1.00 0.00 C ATOM 483 CD1 PHE A 31 7.087 -11.389 -1.085 1.00 0.00 C ATOM 484 CD2 PHE A 31 7.518 -10.740 1.169 1.00 0.00 C ATOM 485 CE1 PHE A 31 6.410 -12.507 -0.636 1.00 0.00 C ATOM 486 CE2 PHE A 31 6.842 -11.857 1.623 1.00 0.00 C ATOM 487 CZ PHE A 31 6.288 -12.742 0.719 1.00 0.00 C ATOM 0 H PHE A 31 6.889 -8.635 -2.816 1.00 0.00 H new ATOM 0 HA PHE A 31 6.946 -7.850 0.040 1.00 0.00 H new ATOM 0 HB2 PHE A 31 8.878 -9.519 -1.620 1.00 0.00 H new ATOM 0 HB3 PHE A 31 9.165 -9.023 0.036 1.00 0.00 H new ATOM 0 HD1 PHE A 31 7.180 -11.211 -2.146 1.00 0.00 H new ATOM 0 HD2 PHE A 31 7.950 -10.051 1.880 1.00 0.00 H new ATOM 0 HE1 PHE A 31 5.976 -13.197 -1.345 1.00 0.00 H new ATOM 0 HE2 PHE A 31 6.747 -12.037 2.684 1.00 0.00 H new ATOM 0 HZ PHE A 31 5.760 -13.616 1.071 1.00 0.00 H new ATOM 497 N ILE A 32 7.887 -5.672 -0.797 1.00 0.00 N ATOM 498 CA ILE A 32 8.602 -4.433 -1.071 1.00 0.00 C ATOM 499 C ILE A 32 9.935 -4.392 -0.332 1.00 0.00 C ATOM 500 O ILE A 32 10.280 -5.319 0.401 1.00 0.00 O ATOM 501 CB ILE A 32 7.768 -3.201 -0.670 1.00 0.00 C ATOM 502 CG1 ILE A 32 7.608 -3.140 0.850 1.00 0.00 C ATOM 503 CG2 ILE A 32 6.408 -3.238 -1.351 1.00 0.00 C ATOM 504 CD1 ILE A 32 6.787 -1.960 1.324 1.00 0.00 C ATOM 0 H ILE A 32 7.041 -5.556 -0.240 1.00 0.00 H new ATOM 0 HA ILE A 32 8.784 -4.405 -2.145 1.00 0.00 H new ATOM 0 HB ILE A 32 8.292 -2.303 -0.997 1.00 0.00 H new ATOM 0 HG12 ILE A 32 7.139 -4.061 1.195 1.00 0.00 H new ATOM 0 HG13 ILE A 32 8.595 -3.094 1.310 1.00 0.00 H new ATOM 0 HG21 ILE A 32 5.830 -2.361 -1.058 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.543 -3.239 -2.433 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.875 -4.140 -1.051 1.00 0.00 H new ATOM 0 HD11 ILE A 32 6.715 -1.980 2.411 1.00 0.00 H new ATOM 0 HD12 ILE A 32 7.267 -1.033 1.009 1.00 0.00 H new ATOM 0 HD13 ILE A 32 5.787 -2.016 0.893 1.00 0.00 H new ATOM 516 N THR A 33 10.682 -3.310 -0.529 1.00 0.00 N ATOM 517 CA THR A 33 11.978 -3.147 0.119 1.00 0.00 C ATOM 518 C THR A 33 11.970 -1.958 1.072 1.00 0.00 C ATOM 519 O THR A 33 11.133 -1.062 0.958 1.00 0.00 O ATOM 520 CB THR A 33 13.103 -2.955 -0.916 1.00 0.00 C ATOM 521 OG1 THR A 33 14.313 -2.566 -0.257 1.00 0.00 O ATOM 522 CG2 THR A 33 12.718 -1.902 -1.944 1.00 0.00 C ATOM 0 H THR A 33 10.412 -2.533 -1.132 1.00 0.00 H new ATOM 0 HA THR A 33 12.167 -4.060 0.684 1.00 0.00 H new ATOM 0 HB THR A 33 13.259 -3.903 -1.431 1.00 0.00 H new ATOM 0 HG1 THR A 33 15.024 -2.448 -0.921 1.00 0.00 H new ATOM 0 HG21 THR A 33 13.527 -1.784 -2.664 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.813 -2.215 -2.464 1.00 0.00 H new ATOM 0 HG23 THR A 33 12.538 -0.952 -1.441 1.00 0.00 H new ATOM 530 N LYS A 34 12.908 -1.954 2.013 1.00 0.00 N ATOM 531 CA LYS A 34 13.012 -0.873 2.986 1.00 0.00 C ATOM 532 C LYS A 34 13.043 0.484 2.291 1.00 0.00 C ATOM 533 O LYS A 34 12.474 1.458 2.784 1.00 0.00 O ATOM 534 CB LYS A 34 14.269 -1.048 3.841 1.00 0.00 C ATOM 535 CG LYS A 34 14.019 -1.780 5.148 1.00 0.00 C ATOM 536 CD LYS A 34 15.318 -2.246 5.784 1.00 0.00 C ATOM 537 CE LYS A 34 15.878 -1.203 6.738 1.00 0.00 C ATOM 538 NZ LYS A 34 16.976 -1.753 7.580 1.00 0.00 N ATOM 0 H LYS A 34 13.608 -2.688 2.122 1.00 0.00 H new ATOM 0 HA LYS A 34 12.133 -0.912 3.630 1.00 0.00 H new ATOM 0 HB2 LYS A 34 15.016 -1.594 3.266 1.00 0.00 H new ATOM 0 HB3 LYS A 34 14.690 -0.066 4.059 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.490 -1.123 5.838 1.00 0.00 H new ATOM 0 HG3 LYS A 34 13.373 -2.639 4.967 1.00 0.00 H new ATOM 0 HD2 LYS A 34 15.147 -3.178 6.322 1.00 0.00 H new ATOM 0 HD3 LYS A 34 16.050 -2.458 5.005 1.00 0.00 H new ATOM 0 HE2 LYS A 34 16.250 -0.352 6.168 1.00 0.00 H new ATOM 0 HE3 LYS A 34 15.079 -0.832 7.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 17.331 -1.011 8.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 16.616 -2.549 8.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 17.750 -2.084 6.969 1.00 0.00 H new ATOM 552 N ASP A 35 13.708 0.541 1.142 1.00 0.00 N ATOM 553 CA ASP A 35 13.810 1.778 0.378 1.00 0.00 C ATOM 554 C ASP A 35 12.452 2.181 -0.188 1.00 0.00 C ATOM 555 O ASP A 35 12.143 3.367 -0.306 1.00 0.00 O ATOM 556 CB ASP A 35 14.822 1.619 -0.758 1.00 0.00 C ATOM 557 CG ASP A 35 16.256 1.710 -0.273 1.00 0.00 C ATOM 558 OD1 ASP A 35 16.520 1.297 0.875 1.00 0.00 O ATOM 559 OD2 ASP A 35 17.112 2.196 -1.041 1.00 0.00 O ATOM 0 H ASP A 35 14.184 -0.256 0.720 1.00 0.00 H new ATOM 0 HA ASP A 35 14.151 2.564 1.051 1.00 0.00 H new ATOM 0 HB2 ASP A 35 14.667 0.657 -1.247 1.00 0.00 H new ATOM 0 HB3 ASP A 35 14.646 2.390 -1.508 1.00 0.00 H new ATOM 564 N LYS A 36 11.643 1.186 -0.537 1.00 0.00 N ATOM 565 CA LYS A 36 10.317 1.435 -1.090 1.00 0.00 C ATOM 566 C LYS A 36 9.359 1.922 -0.008 1.00 0.00 C ATOM 567 O LYS A 36 8.704 2.952 -0.165 1.00 0.00 O ATOM 568 CB LYS A 36 9.766 0.163 -1.740 1.00 0.00 C ATOM 569 CG LYS A 36 8.307 0.272 -2.147 1.00 0.00 C ATOM 570 CD LYS A 36 8.075 1.449 -3.079 1.00 0.00 C ATOM 571 CE LYS A 36 8.876 1.309 -4.364 1.00 0.00 C ATOM 572 NZ LYS A 36 8.658 2.461 -5.282 1.00 0.00 N ATOM 0 H LYS A 36 11.883 0.199 -0.446 1.00 0.00 H new ATOM 0 HA LYS A 36 10.407 2.213 -1.848 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.364 -0.073 -2.620 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.880 -0.669 -1.045 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.996 -0.650 -2.639 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.687 0.384 -1.257 1.00 0.00 H new ATOM 0 HD2 LYS A 36 7.014 1.522 -3.317 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.353 2.374 -2.575 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.936 1.231 -4.124 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.595 0.385 -4.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.221 2.328 -6.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 7.650 2.520 -5.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 8.950 3.341 -4.811 1.00 0.00 H new ATOM 586 N ARG A 37 9.284 1.176 1.089 1.00 0.00 N ATOM 587 CA ARG A 37 8.406 1.533 2.197 1.00 0.00 C ATOM 588 C ARG A 37 8.641 2.976 2.634 1.00 0.00 C ATOM 589 O ARG A 37 7.705 3.682 3.009 1.00 0.00 O ATOM 590 CB ARG A 37 8.631 0.588 3.379 1.00 0.00 C ATOM 591 CG ARG A 37 7.343 0.083 4.008 1.00 0.00 C ATOM 592 CD ARG A 37 7.596 -1.114 4.912 1.00 0.00 C ATOM 593 NE ARG A 37 8.310 -2.182 4.218 1.00 0.00 N ATOM 594 CZ ARG A 37 8.786 -3.263 4.825 1.00 0.00 C ATOM 595 NH1 ARG A 37 8.625 -3.418 6.132 1.00 0.00 N ATOM 596 NH2 ARG A 37 9.425 -4.192 4.125 1.00 0.00 N ATOM 0 H ARG A 37 9.820 0.321 1.234 1.00 0.00 H new ATOM 0 HA ARG A 37 7.375 1.438 1.856 1.00 0.00 H new ATOM 0 HB2 ARG A 37 9.221 -0.265 3.044 1.00 0.00 H new ATOM 0 HB3 ARG A 37 9.219 1.103 4.139 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.880 0.884 4.584 1.00 0.00 H new ATOM 0 HG3 ARG A 37 6.638 -0.194 3.224 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.173 -0.797 5.781 1.00 0.00 H new ATOM 0 HD3 ARG A 37 6.645 -1.495 5.283 1.00 0.00 H new ATOM 0 HE ARG A 37 8.451 -2.093 3.212 1.00 0.00 H new ATOM 0 HH11 ARG A 37 8.135 -2.706 6.673 1.00 0.00 H new ATOM 0 HH12 ARG A 37 8.991 -4.249 6.596 1.00 0.00 H new ATOM 0 HH21 ARG A 37 9.551 -4.076 3.119 1.00 0.00 H new ATOM 0 HH22 ARG A 37 9.790 -5.022 4.593 1.00 0.00 H new ATOM 610 N ARG A 38 9.897 3.407 2.584 1.00 0.00 N ATOM 611 CA ARG A 38 10.256 4.764 2.976 1.00 0.00 C ATOM 612 C ARG A 38 9.510 5.790 2.127 1.00 0.00 C ATOM 613 O ARG A 38 9.027 6.801 2.638 1.00 0.00 O ATOM 614 CB ARG A 38 11.765 4.975 2.841 1.00 0.00 C ATOM 615 CG ARG A 38 12.548 4.586 4.084 1.00 0.00 C ATOM 616 CD ARG A 38 14.024 4.394 3.775 1.00 0.00 C ATOM 617 NE ARG A 38 14.863 5.350 4.494 1.00 0.00 N ATOM 618 CZ ARG A 38 15.046 6.606 4.102 1.00 0.00 C ATOM 619 NH1 ARG A 38 14.454 7.055 3.004 1.00 0.00 N ATOM 620 NH2 ARG A 38 15.824 7.416 4.810 1.00 0.00 N ATOM 0 H ARG A 38 10.683 2.835 2.276 1.00 0.00 H new ATOM 0 HA ARG A 38 9.969 4.902 4.018 1.00 0.00 H new ATOM 0 HB2 ARG A 38 12.130 4.393 1.995 1.00 0.00 H new ATOM 0 HB3 ARG A 38 11.958 6.023 2.614 1.00 0.00 H new ATOM 0 HG2 ARG A 38 12.432 5.358 4.845 1.00 0.00 H new ATOM 0 HG3 ARG A 38 12.139 3.665 4.499 1.00 0.00 H new ATOM 0 HD2 ARG A 38 14.321 3.379 4.041 1.00 0.00 H new ATOM 0 HD3 ARG A 38 14.187 4.503 2.703 1.00 0.00 H new ATOM 0 HE ARG A 38 15.334 5.036 5.343 1.00 0.00 H new ATOM 0 HH11 ARG A 38 13.856 6.435 2.457 1.00 0.00 H new ATOM 0 HH12 ARG A 38 14.597 8.020 2.706 1.00 0.00 H new ATOM 0 HH21 ARG A 38 16.281 7.074 5.655 1.00 0.00 H new ATOM 0 HH22 ARG A 38 15.964 8.380 4.509 1.00 0.00 H new ATOM 634 N LYS A 39 9.420 5.523 0.829 1.00 0.00 N ATOM 635 CA LYS A 39 8.733 6.421 -0.092 1.00 0.00 C ATOM 636 C LYS A 39 7.221 6.330 0.086 1.00 0.00 C ATOM 637 O LYS A 39 6.543 7.346 0.244 1.00 0.00 O ATOM 638 CB LYS A 39 9.109 6.088 -1.537 1.00 0.00 C ATOM 639 CG LYS A 39 10.605 6.106 -1.797 1.00 0.00 C ATOM 640 CD LYS A 39 11.110 7.516 -2.050 1.00 0.00 C ATOM 641 CE LYS A 39 12.596 7.639 -1.749 1.00 0.00 C ATOM 642 NZ LYS A 39 13.428 6.946 -2.770 1.00 0.00 N ATOM 0 H LYS A 39 9.815 4.691 0.390 1.00 0.00 H new ATOM 0 HA LYS A 39 9.046 7.441 0.132 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.717 5.102 -1.787 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.625 6.802 -2.203 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.129 5.679 -0.942 1.00 0.00 H new ATOM 0 HG3 LYS A 39 10.833 5.477 -2.657 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.924 7.789 -3.089 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.553 8.219 -1.431 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.872 8.693 -1.710 1.00 0.00 H new ATOM 0 HE3 LYS A 39 12.803 7.218 -0.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 14.434 7.053 -2.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.183 5.936 -2.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 13.250 7.364 -3.705 1.00 0.00 H new ATOM 656 N ILE A 40 6.700 5.108 0.061 1.00 0.00 N ATOM 657 CA ILE A 40 5.268 4.886 0.222 1.00 0.00 C ATOM 658 C ILE A 40 4.741 5.579 1.474 1.00 0.00 C ATOM 659 O ILE A 40 3.601 6.042 1.506 1.00 0.00 O ATOM 660 CB ILE A 40 4.938 3.384 0.303 1.00 0.00 C ATOM 661 CG1 ILE A 40 5.420 2.664 -0.958 1.00 0.00 C ATOM 662 CG2 ILE A 40 3.442 3.180 0.497 1.00 0.00 C ATOM 663 CD1 ILE A 40 5.197 1.168 -0.923 1.00 0.00 C ATOM 0 H ILE A 40 7.247 4.257 -0.069 1.00 0.00 H new ATOM 0 HA ILE A 40 4.782 5.310 -0.656 1.00 0.00 H new ATOM 0 HB ILE A 40 5.458 2.959 1.162 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.904 3.080 -1.823 1.00 0.00 H new ATOM 0 HG13 ILE A 40 6.483 2.862 -1.095 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.224 2.113 0.552 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.126 3.663 1.421 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.903 3.617 -0.344 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.563 0.724 -1.849 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.735 0.740 -0.078 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.132 0.961 -0.817 1.00 0.00 H new ATOM 675 N SER A 41 5.580 5.649 2.502 1.00 0.00 N ATOM 676 CA SER A 41 5.199 6.284 3.758 1.00 0.00 C ATOM 677 C SER A 41 4.960 7.778 3.560 1.00 0.00 C ATOM 678 O SER A 41 4.096 8.370 4.207 1.00 0.00 O ATOM 679 CB SER A 41 6.283 6.065 4.815 1.00 0.00 C ATOM 680 OG SER A 41 6.349 7.159 5.713 1.00 0.00 O ATOM 0 H SER A 41 6.528 5.274 2.490 1.00 0.00 H new ATOM 0 HA SER A 41 4.271 5.827 4.101 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.076 5.149 5.368 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.249 5.932 4.328 1.00 0.00 H new ATOM 0 HG SER A 41 5.525 7.198 6.242 1.00 0.00 H new ATOM 686 N ALA A 42 5.732 8.380 2.662 1.00 0.00 N ATOM 687 CA ALA A 42 5.604 9.804 2.376 1.00 0.00 C ATOM 688 C ALA A 42 4.584 10.053 1.270 1.00 0.00 C ATOM 689 O ALA A 42 3.979 11.122 1.200 1.00 0.00 O ATOM 690 CB ALA A 42 6.955 10.389 1.993 1.00 0.00 C ATOM 0 H ALA A 42 6.453 7.904 2.120 1.00 0.00 H new ATOM 0 HA ALA A 42 5.249 10.300 3.279 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.844 11.453 1.782 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.657 10.253 2.816 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.333 9.881 1.106 1.00 0.00 H new ATOM 696 N ALA A 43 4.400 9.059 0.407 1.00 0.00 N ATOM 697 CA ALA A 43 3.453 9.170 -0.695 1.00 0.00 C ATOM 698 C ALA A 43 2.021 8.967 -0.211 1.00 0.00 C ATOM 699 O ALA A 43 1.077 9.509 -0.786 1.00 0.00 O ATOM 700 CB ALA A 43 3.791 8.163 -1.785 1.00 0.00 C ATOM 0 H ALA A 43 4.894 8.168 0.450 1.00 0.00 H new ATOM 0 HA ALA A 43 3.530 10.176 -1.108 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.075 8.257 -2.602 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.796 8.356 -2.159 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.743 7.154 -1.376 1.00 0.00 H new ATOM 706 N THR A 44 1.865 8.181 0.850 1.00 0.00 N ATOM 707 CA THR A 44 0.549 7.905 1.410 1.00 0.00 C ATOM 708 C THR A 44 0.452 8.391 2.852 1.00 0.00 C ATOM 709 O THR A 44 -0.499 8.066 3.564 1.00 0.00 O ATOM 710 CB THR A 44 0.223 6.401 1.364 1.00 0.00 C ATOM 711 OG1 THR A 44 1.059 5.690 2.284 1.00 0.00 O ATOM 712 CG2 THR A 44 0.418 5.847 -0.039 1.00 0.00 C ATOM 0 H THR A 44 2.635 7.724 1.339 1.00 0.00 H new ATOM 0 HA THR A 44 -0.174 8.445 0.798 1.00 0.00 H new ATOM 0 HB THR A 44 -0.821 6.270 1.647 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.961 5.608 1.910 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.182 4.783 -0.046 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.242 6.370 -0.732 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.454 5.991 -0.346 1.00 0.00 H new ATOM 720 N SER A 45 1.441 9.171 3.277 1.00 0.00 N ATOM 721 CA SER A 45 1.468 9.699 4.636 1.00 0.00 C ATOM 722 C SER A 45 1.289 8.579 5.657 1.00 0.00 C ATOM 723 O SER A 45 0.747 8.794 6.742 1.00 0.00 O ATOM 724 CB SER A 45 0.373 10.751 4.819 1.00 0.00 C ATOM 725 OG SER A 45 0.719 11.675 5.836 1.00 0.00 O ATOM 0 H SER A 45 2.234 9.451 2.700 1.00 0.00 H new ATOM 0 HA SER A 45 2.440 10.165 4.799 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.213 11.281 3.880 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.567 10.262 5.072 1.00 0.00 H new ATOM 0 HG SER A 45 0.004 12.338 5.933 1.00 0.00 H new ATOM 731 N LEU A 46 1.748 7.384 5.302 1.00 0.00 N ATOM 732 CA LEU A 46 1.640 6.229 6.187 1.00 0.00 C ATOM 733 C LEU A 46 2.977 5.929 6.856 1.00 0.00 C ATOM 734 O LEU A 46 3.972 6.612 6.613 1.00 0.00 O ATOM 735 CB LEU A 46 1.162 5.005 5.403 1.00 0.00 C ATOM 736 CG LEU A 46 -0.304 5.017 4.969 1.00 0.00 C ATOM 737 CD1 LEU A 46 -0.561 3.936 3.930 1.00 0.00 C ATOM 738 CD2 LEU A 46 -1.218 4.832 6.171 1.00 0.00 C ATOM 0 H LEU A 46 2.198 7.189 4.408 1.00 0.00 H new ATOM 0 HA LEU A 46 0.911 6.463 6.963 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.783 4.903 4.513 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.332 4.118 6.013 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.522 5.985 4.518 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.609 3.959 3.633 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.068 4.113 3.057 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.326 2.960 4.355 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.257 4.843 5.843 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.999 3.878 6.651 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.053 5.642 6.882 1.00 0.00 H new ATOM 750 N SER A 47 2.994 4.900 7.698 1.00 0.00 N ATOM 751 CA SER A 47 4.208 4.510 8.404 1.00 0.00 C ATOM 752 C SER A 47 4.765 3.204 7.845 1.00 0.00 C ATOM 753 O SER A 47 4.032 2.401 7.270 1.00 0.00 O ATOM 754 CB SER A 47 3.928 4.359 9.900 1.00 0.00 C ATOM 755 OG SER A 47 4.248 5.548 10.601 1.00 0.00 O ATOM 0 H SER A 47 2.180 4.322 7.907 1.00 0.00 H new ATOM 0 HA SER A 47 4.951 5.294 8.259 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.877 4.114 10.054 1.00 0.00 H new ATOM 0 HB3 SER A 47 4.510 3.529 10.300 1.00 0.00 H new ATOM 0 HG SER A 47 4.059 5.426 11.555 1.00 0.00 H new ATOM 761 N GLU A 48 6.067 3.001 8.020 1.00 0.00 N ATOM 762 CA GLU A 48 6.723 1.793 7.532 1.00 0.00 C ATOM 763 C GLU A 48 6.003 0.543 8.031 1.00 0.00 C ATOM 764 O GLU A 48 5.907 -0.457 7.320 1.00 0.00 O ATOM 765 CB GLU A 48 8.186 1.764 7.979 1.00 0.00 C ATOM 766 CG GLU A 48 8.959 3.020 7.613 1.00 0.00 C ATOM 767 CD GLU A 48 10.422 2.940 8.002 1.00 0.00 C ATOM 768 OE1 GLU A 48 10.932 1.810 8.160 1.00 0.00 O ATOM 769 OE2 GLU A 48 11.058 4.004 8.149 1.00 0.00 O ATOM 0 H GLU A 48 6.688 3.656 8.495 1.00 0.00 H new ATOM 0 HA GLU A 48 6.683 1.804 6.443 1.00 0.00 H new ATOM 0 HB2 GLU A 48 8.224 1.626 9.060 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.677 0.901 7.530 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.881 3.190 6.539 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.503 3.879 8.105 1.00 0.00 H new ATOM 776 N ARG A 49 5.500 0.609 9.259 1.00 0.00 N ATOM 777 CA ARG A 49 4.790 -0.517 9.855 1.00 0.00 C ATOM 778 C ARG A 49 3.393 -0.656 9.259 1.00 0.00 C ATOM 779 O ARG A 49 2.993 -1.741 8.837 1.00 0.00 O ATOM 780 CB ARG A 49 4.694 -0.341 11.372 1.00 0.00 C ATOM 781 CG ARG A 49 3.942 -1.463 12.069 1.00 0.00 C ATOM 782 CD ARG A 49 4.578 -2.816 11.791 1.00 0.00 C ATOM 783 NE ARG A 49 3.951 -3.885 12.564 1.00 0.00 N ATOM 784 CZ ARG A 49 4.181 -5.176 12.354 1.00 0.00 C ATOM 785 NH1 ARG A 49 5.019 -5.557 11.399 1.00 0.00 N ATOM 786 NH2 ARG A 49 3.573 -6.090 13.099 1.00 0.00 N ATOM 0 H ARG A 49 5.571 1.430 9.861 1.00 0.00 H new ATOM 0 HA ARG A 49 5.351 -1.425 9.636 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.700 -0.277 11.786 1.00 0.00 H new ATOM 0 HB3 ARG A 49 4.200 0.606 11.589 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.928 -1.280 13.143 1.00 0.00 H new ATOM 0 HG3 ARG A 49 2.905 -1.471 11.733 1.00 0.00 H new ATOM 0 HD2 ARG A 49 4.498 -3.043 10.728 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.641 -2.773 12.028 1.00 0.00 H new ATOM 0 HE ARG A 49 3.301 -3.626 13.306 1.00 0.00 H new ATOM 0 HH11 ARG A 49 5.489 -4.858 10.824 1.00 0.00 H new ATOM 0 HH12 ARG A 49 5.194 -6.549 11.240 1.00 0.00 H new ATOM 0 HH21 ARG A 49 2.928 -5.802 13.834 1.00 0.00 H new ATOM 0 HH22 ARG A 49 3.751 -7.081 12.936 1.00 0.00 H new ATOM 800 N GLN A 50 2.655 0.450 9.228 1.00 0.00 N ATOM 801 CA GLN A 50 1.302 0.450 8.685 1.00 0.00 C ATOM 802 C GLN A 50 1.277 -0.162 7.288 1.00 0.00 C ATOM 803 O GLN A 50 0.492 -1.070 7.012 1.00 0.00 O ATOM 804 CB GLN A 50 0.748 1.875 8.640 1.00 0.00 C ATOM 805 CG GLN A 50 0.445 2.453 10.013 1.00 0.00 C ATOM 806 CD GLN A 50 -0.581 3.568 9.964 1.00 0.00 C ATOM 807 OE1 GLN A 50 -0.304 4.700 10.360 1.00 0.00 O ATOM 808 NE2 GLN A 50 -1.775 3.252 9.476 1.00 0.00 N ATOM 0 H GLN A 50 2.972 1.356 9.572 1.00 0.00 H new ATOM 0 HA GLN A 50 0.675 -0.156 9.339 1.00 0.00 H new ATOM 0 HB2 GLN A 50 1.467 2.520 8.134 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -0.163 1.883 8.042 1.00 0.00 H new ATOM 0 HG2 GLN A 50 0.082 1.659 10.665 1.00 0.00 H new ATOM 0 HG3 GLN A 50 1.367 2.832 10.455 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -1.961 2.300 9.159 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -2.506 3.961 9.418 1.00 0.00 H new ATOM 817 N ILE A 51 2.138 0.342 6.411 1.00 0.00 N ATOM 818 CA ILE A 51 2.214 -0.156 5.043 1.00 0.00 C ATOM 819 C ILE A 51 2.403 -1.669 5.019 1.00 0.00 C ATOM 820 O ILE A 51 1.751 -2.375 4.248 1.00 0.00 O ATOM 821 CB ILE A 51 3.368 0.506 4.266 1.00 0.00 C ATOM 822 CG1 ILE A 51 3.189 2.025 4.241 1.00 0.00 C ATOM 823 CG2 ILE A 51 3.440 -0.048 2.851 1.00 0.00 C ATOM 824 CD1 ILE A 51 4.428 2.773 3.801 1.00 0.00 C ATOM 0 H ILE A 51 2.793 1.095 6.623 1.00 0.00 H new ATOM 0 HA ILE A 51 1.270 0.098 4.562 1.00 0.00 H new ATOM 0 HB ILE A 51 4.306 0.278 4.772 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.367 2.275 3.571 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.903 2.365 5.236 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.260 0.429 2.315 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.609 -1.124 2.890 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.502 0.153 2.333 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.228 3.844 3.807 1.00 0.00 H new ATOM 0 HD12 ILE A 51 5.248 2.553 4.485 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.703 2.461 2.793 1.00 0.00 H new ATOM 836 N THR A 52 3.298 -2.163 5.869 1.00 0.00 N ATOM 837 CA THR A 52 3.572 -3.592 5.945 1.00 0.00 C ATOM 838 C THR A 52 2.313 -4.375 6.303 1.00 0.00 C ATOM 839 O THR A 52 1.995 -5.381 5.668 1.00 0.00 O ATOM 840 CB THR A 52 4.666 -3.899 6.985 1.00 0.00 C ATOM 841 OG1 THR A 52 5.876 -3.215 6.640 1.00 0.00 O ATOM 842 CG2 THR A 52 4.930 -5.395 7.067 1.00 0.00 C ATOM 0 H THR A 52 3.845 -1.594 6.515 1.00 0.00 H new ATOM 0 HA THR A 52 3.921 -3.900 4.959 1.00 0.00 H new ATOM 0 HB THR A 52 4.318 -3.553 7.958 1.00 0.00 H new ATOM 0 HG1 THR A 52 5.839 -2.295 6.975 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.706 -5.587 7.808 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.015 -5.911 7.358 1.00 0.00 H new ATOM 0 HG23 THR A 52 5.259 -5.760 6.094 1.00 0.00 H new ATOM 850 N ILE A 53 1.601 -3.907 7.322 1.00 0.00 N ATOM 851 CA ILE A 53 0.376 -4.563 7.762 1.00 0.00 C ATOM 852 C ILE A 53 -0.578 -4.787 6.593 1.00 0.00 C ATOM 853 O ILE A 53 -1.110 -5.883 6.415 1.00 0.00 O ATOM 854 CB ILE A 53 -0.345 -3.740 8.847 1.00 0.00 C ATOM 855 CG1 ILE A 53 0.568 -3.544 10.059 1.00 0.00 C ATOM 856 CG2 ILE A 53 -1.640 -4.425 9.258 1.00 0.00 C ATOM 857 CD1 ILE A 53 0.190 -2.354 10.913 1.00 0.00 C ATOM 0 H ILE A 53 1.851 -3.076 7.858 1.00 0.00 H new ATOM 0 HA ILE A 53 0.667 -5.526 8.181 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.589 -2.760 8.437 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.542 -4.444 10.673 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.595 -3.422 9.714 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.138 -3.832 10.025 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.293 -4.519 8.391 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.418 -5.416 9.653 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.879 -2.276 11.754 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.243 -1.445 10.314 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.826 -2.483 11.287 1.00 0.00 H new ATOM 869 N TRP A 54 -0.787 -3.744 5.799 1.00 0.00 N ATOM 870 CA TRP A 54 -1.676 -3.828 4.646 1.00 0.00 C ATOM 871 C TRP A 54 -1.175 -4.865 3.647 1.00 0.00 C ATOM 872 O TRP A 54 -1.942 -5.698 3.164 1.00 0.00 O ATOM 873 CB TRP A 54 -1.793 -2.463 3.966 1.00 0.00 C ATOM 874 CG TRP A 54 -2.823 -2.428 2.877 1.00 0.00 C ATOM 875 CD1 TRP A 54 -4.136 -2.075 3.003 1.00 0.00 C ATOM 876 CD2 TRP A 54 -2.624 -2.760 1.499 1.00 0.00 C ATOM 877 NE1 TRP A 54 -4.766 -2.168 1.785 1.00 0.00 N ATOM 878 CE2 TRP A 54 -3.860 -2.585 0.846 1.00 0.00 C ATOM 879 CE3 TRP A 54 -1.522 -3.186 0.752 1.00 0.00 C ATOM 880 CZ2 TRP A 54 -4.022 -2.823 -0.516 1.00 0.00 C ATOM 881 CZ3 TRP A 54 -1.685 -3.423 -0.599 1.00 0.00 C ATOM 882 CH2 TRP A 54 -2.927 -3.240 -1.223 1.00 0.00 C ATOM 0 H TRP A 54 -0.353 -2.830 5.932 1.00 0.00 H new ATOM 0 HA TRP A 54 -2.660 -4.136 4.999 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -2.042 -1.712 4.716 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.824 -2.189 3.549 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.610 -1.768 3.924 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -5.749 -1.960 1.609 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.560 -3.327 1.223 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -4.978 -2.683 -0.998 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.841 -3.755 -1.185 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -3.021 -3.432 -2.282 1.00 0.00 H new ATOM 893 N PHE A 55 0.118 -4.810 3.341 1.00 0.00 N ATOM 894 CA PHE A 55 0.721 -5.745 2.399 1.00 0.00 C ATOM 895 C PHE A 55 0.573 -7.183 2.889 1.00 0.00 C ATOM 896 O PHE A 55 0.440 -8.110 2.091 1.00 0.00 O ATOM 897 CB PHE A 55 2.201 -5.413 2.195 1.00 0.00 C ATOM 898 CG PHE A 55 2.460 -4.541 1.000 1.00 0.00 C ATOM 899 CD1 PHE A 55 2.160 -3.189 1.035 1.00 0.00 C ATOM 900 CD2 PHE A 55 3.006 -5.073 -0.157 1.00 0.00 C ATOM 901 CE1 PHE A 55 2.397 -2.384 -0.064 1.00 0.00 C ATOM 902 CE2 PHE A 55 3.246 -4.273 -1.258 1.00 0.00 C ATOM 903 CZ PHE A 55 2.942 -2.927 -1.211 1.00 0.00 C ATOM 0 H PHE A 55 0.768 -4.128 3.732 1.00 0.00 H new ATOM 0 HA PHE A 55 0.200 -5.649 1.447 1.00 0.00 H new ATOM 0 HB2 PHE A 55 2.580 -4.915 3.087 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.762 -6.341 2.086 1.00 0.00 H new ATOM 0 HD1 PHE A 55 1.736 -2.759 1.931 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.247 -6.125 -0.199 1.00 0.00 H new ATOM 0 HE1 PHE A 55 2.156 -1.332 -0.025 1.00 0.00 H new ATOM 0 HE2 PHE A 55 3.671 -4.700 -2.154 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.130 -2.300 -2.070 1.00 0.00 H new ATOM 913 N GLN A 56 0.599 -7.358 4.206 1.00 0.00 N ATOM 914 CA GLN A 56 0.469 -8.682 4.803 1.00 0.00 C ATOM 915 C GLN A 56 -0.968 -9.185 4.705 1.00 0.00 C ATOM 916 O GLN A 56 -1.220 -10.275 4.194 1.00 0.00 O ATOM 917 CB GLN A 56 0.912 -8.650 6.267 1.00 0.00 C ATOM 918 CG GLN A 56 2.401 -8.885 6.457 1.00 0.00 C ATOM 919 CD GLN A 56 2.728 -10.329 6.783 1.00 0.00 C ATOM 920 OE1 GLN A 56 1.882 -11.214 6.649 1.00 0.00 O ATOM 921 NE2 GLN A 56 3.959 -10.575 7.215 1.00 0.00 N ATOM 0 H GLN A 56 0.709 -6.600 4.880 1.00 0.00 H new ATOM 0 HA GLN A 56 1.113 -9.367 4.251 1.00 0.00 H new ATOM 0 HB2 GLN A 56 0.647 -7.684 6.697 1.00 0.00 H new ATOM 0 HB3 GLN A 56 0.359 -9.408 6.822 1.00 0.00 H new ATOM 0 HG2 GLN A 56 2.930 -8.593 5.550 1.00 0.00 H new ATOM 0 HG3 GLN A 56 2.767 -8.244 7.259 1.00 0.00 H new ATOM 0 HE21 GLN A 56 4.628 -9.811 7.311 1.00 0.00 H new ATOM 0 HE22 GLN A 56 4.236 -11.528 7.451 1.00 0.00 H new ATOM 930 N ASN A 57 -1.905 -8.382 5.198 1.00 0.00 N ATOM 931 CA ASN A 57 -3.317 -8.747 5.167 1.00 0.00 C ATOM 932 C ASN A 57 -3.766 -9.062 3.743 1.00 0.00 C ATOM 933 O ASN A 57 -4.718 -9.815 3.533 1.00 0.00 O ATOM 934 CB ASN A 57 -4.171 -7.616 5.744 1.00 0.00 C ATOM 935 CG ASN A 57 -4.419 -7.780 7.231 1.00 0.00 C ATOM 936 OD1 ASN A 57 -5.550 -8.006 7.661 1.00 0.00 O ATOM 937 ND2 ASN A 57 -3.360 -7.666 8.024 1.00 0.00 N ATOM 0 H ASN A 57 -1.713 -7.475 5.623 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.449 -9.640 5.777 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -3.675 -6.662 5.564 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.126 -7.582 5.221 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -3.466 -7.766 9.034 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -2.441 -7.478 7.624 1.00 0.00 H new ATOM 944 N ARG A 58 -3.074 -8.481 2.768 1.00 0.00 N ATOM 945 CA ARG A 58 -3.402 -8.699 1.364 1.00 0.00 C ATOM 946 C ARG A 58 -3.038 -10.118 0.935 1.00 0.00 C ATOM 947 O ARG A 58 -3.742 -10.734 0.134 1.00 0.00 O ATOM 948 CB ARG A 58 -2.668 -7.685 0.484 1.00 0.00 C ATOM 949 CG ARG A 58 -3.598 -6.816 -0.347 1.00 0.00 C ATOM 950 CD ARG A 58 -4.465 -7.654 -1.273 1.00 0.00 C ATOM 951 NE ARG A 58 -3.680 -8.300 -2.322 1.00 0.00 N ATOM 952 CZ ARG A 58 -4.217 -8.875 -3.393 1.00 0.00 C ATOM 953 NH1 ARG A 58 -5.533 -8.883 -3.555 1.00 0.00 N ATOM 954 NH2 ARG A 58 -3.437 -9.442 -4.304 1.00 0.00 N ATOM 0 H ARG A 58 -2.283 -7.856 2.924 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.477 -8.565 1.242 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -2.054 -7.044 1.117 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -1.990 -8.218 -0.183 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -4.234 -6.226 0.314 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.010 -6.112 -0.936 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -4.988 -8.414 -0.692 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.227 -7.021 -1.728 1.00 0.00 H new ATOM 0 HE ARG A 58 -2.664 -8.310 -2.227 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -6.135 -8.447 -2.857 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -5.943 -9.325 -4.378 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -2.424 -9.437 -4.183 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -3.850 -9.883 -5.126 1.00 0.00 H new ATOM 968 N ARG A 59 -1.936 -10.629 1.473 1.00 0.00 N ATOM 969 CA ARG A 59 -1.479 -11.974 1.145 1.00 0.00 C ATOM 970 C ARG A 59 -2.171 -13.013 2.022 1.00 0.00 C ATOM 971 O ARG A 59 -2.716 -13.998 1.524 1.00 0.00 O ATOM 972 CB ARG A 59 0.038 -12.076 1.316 1.00 0.00 C ATOM 973 CG ARG A 59 0.823 -11.496 0.151 1.00 0.00 C ATOM 974 CD ARG A 59 2.307 -11.402 0.470 1.00 0.00 C ATOM 975 NE ARG A 59 3.078 -12.442 -0.205 1.00 0.00 N ATOM 976 CZ ARG A 59 3.246 -13.666 0.282 1.00 0.00 C ATOM 977 NH1 ARG A 59 2.698 -14.003 1.441 1.00 0.00 N ATOM 978 NH2 ARG A 59 3.962 -14.557 -0.392 1.00 0.00 N ATOM 0 H ARG A 59 -1.343 -10.132 2.138 1.00 0.00 H new ATOM 0 HA ARG A 59 -1.735 -12.174 0.105 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.327 -11.559 2.231 1.00 0.00 H new ATOM 0 HB3 ARG A 59 0.311 -13.124 1.441 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.678 -12.118 -0.732 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.438 -10.505 -0.091 1.00 0.00 H new ATOM 0 HD2 ARG A 59 2.681 -10.422 0.172 1.00 0.00 H new ATOM 0 HD3 ARG A 59 2.452 -11.484 1.547 1.00 0.00 H new ATOM 0 HE ARG A 59 3.512 -12.216 -1.100 1.00 0.00 H new ATOM 0 HH11 ARG A 59 2.146 -13.321 1.961 1.00 0.00 H new ATOM 0 HH12 ARG A 59 2.829 -14.944 1.813 1.00 0.00 H new ATOM 0 HH21 ARG A 59 4.384 -14.302 -1.285 1.00 0.00 H new ATOM 0 HH22 ARG A 59 4.090 -15.497 -0.017 1.00 0.00 H new ATOM 992 N VAL A 60 -2.145 -12.787 3.332 1.00 0.00 N ATOM 993 CA VAL A 60 -2.771 -13.702 4.279 1.00 0.00 C ATOM 994 C VAL A 60 -4.215 -13.995 3.888 1.00 0.00 C ATOM 995 O VAL A 60 -4.736 -15.078 4.157 1.00 0.00 O ATOM 996 CB VAL A 60 -2.742 -13.135 5.710 1.00 0.00 C ATOM 997 CG1 VAL A 60 -3.373 -14.116 6.686 1.00 0.00 C ATOM 998 CG2 VAL A 60 -1.317 -12.802 6.123 1.00 0.00 C ATOM 0 H VAL A 60 -1.697 -11.978 3.761 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.196 -14.628 4.252 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.325 -12.214 5.729 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.343 -13.698 7.692 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.409 -14.299 6.399 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.820 -15.055 6.667 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.316 -12.402 7.137 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.708 -13.705 6.088 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.904 -12.059 5.440 1.00 0.00 H new