USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 605 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 18 ASN : amide:sc= 1.25 K(o=2.6,f=-7.9!) USER MOD Set 1.2: A 79 LYS NZ :NH3+ 145:sc= 1.3 (180deg=-0.328) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.0649 USER MOD Single : A 21 THR OG1 : rot -170:sc= -0.142 USER MOD Single : A 22 ASN : amide:sc= -0.648 K(o=-0.65,f=-2.7) USER MOD Single : A 24 LYS NZ :NH3+ -163:sc= -0.0215 (180deg=-0.215) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot -25:sc= 1.18 USER MOD Single : A 42 MET CE :methyl -167:sc= -0.0557 (180deg=-0.412) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 170:sc= -0.025 USER MOD Single : A 57 THR OG1 : rot -42:sc= 0.841 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00431) USER MOD Single : A 71 MET CE :methyl 147:sc= -0.189 (180deg=-1.13) USER MOD Single : A 72 ASN : amide:sc= -0.144 X(o=-0.14,f=-0.14) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.0285 X(o=-0.029,f=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 133 N GLY A 10 -1.959 10.078 1.431 1.00 0.00 N ATOM 134 CA GLY A 10 -1.384 9.139 0.475 1.00 0.00 C ATOM 135 C GLY A 10 -1.187 7.743 1.058 1.00 0.00 C ATOM 136 O GLY A 10 -0.255 7.051 0.670 1.00 0.00 O ATOM 0 HA2 GLY A 10 -2.033 9.074 -0.398 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.424 9.522 0.130 1.00 0.00 H new ATOM 140 N LYS A 11 -2.018 7.314 2.007 1.00 0.00 N ATOM 141 CA LYS A 11 -1.901 6.008 2.644 1.00 0.00 C ATOM 142 C LYS A 11 -2.909 5.052 2.015 1.00 0.00 C ATOM 143 O LYS A 11 -4.056 5.449 1.778 1.00 0.00 O ATOM 144 CB LYS A 11 -2.169 6.162 4.142 1.00 0.00 C ATOM 145 CG LYS A 11 -0.982 6.738 4.926 1.00 0.00 C ATOM 146 CD LYS A 11 -1.141 6.493 6.433 1.00 0.00 C ATOM 147 CE LYS A 11 0.047 7.047 7.228 1.00 0.00 C ATOM 148 NZ LYS A 11 -0.063 8.486 7.551 1.00 0.00 N ATOM 0 H LYS A 11 -2.798 7.870 2.357 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.899 5.604 2.502 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.034 6.810 4.282 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.429 5.188 4.557 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -0.056 6.282 4.576 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.902 7.808 4.735 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.062 6.960 6.782 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -1.236 5.423 6.619 1.00 0.00 H new ATOM 0 HE2 LYS A 11 0.144 6.483 8.156 1.00 0.00 H new ATOM 0 HE3 LYS A 11 0.961 6.882 6.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 0.775 8.786 8.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.125 9.036 6.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -0.917 8.649 8.122 1.00 0.00 H new ATOM 162 N LEU A 12 -2.495 3.801 1.798 1.00 0.00 N ATOM 163 CA LEU A 12 -3.324 2.711 1.281 1.00 0.00 C ATOM 164 C LEU A 12 -3.293 1.520 2.243 1.00 0.00 C ATOM 165 O LEU A 12 -2.903 1.670 3.404 1.00 0.00 O ATOM 166 CB LEU A 12 -2.876 2.325 -0.146 1.00 0.00 C ATOM 167 CG LEU A 12 -3.126 3.400 -1.217 1.00 0.00 C ATOM 168 CD1 LEU A 12 -2.782 2.821 -2.586 1.00 0.00 C ATOM 169 CD2 LEU A 12 -4.579 3.890 -1.265 1.00 0.00 C ATOM 0 H LEU A 12 -1.536 3.509 1.985 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.359 3.045 1.213 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.811 2.093 -0.126 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.395 1.413 -0.440 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.498 4.252 -0.956 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.956 3.575 -3.354 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.734 2.522 -2.602 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.410 1.952 -2.782 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.682 4.647 -2.043 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.239 3.051 -1.485 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.850 4.321 -0.301 1.00 0.00 H new ATOM 181 N PHE A 13 -3.772 0.359 1.790 1.00 0.00 N ATOM 182 CA PHE A 13 -3.845 -0.902 2.514 1.00 0.00 C ATOM 183 C PHE A 13 -3.899 -2.012 1.457 1.00 0.00 C ATOM 184 O PHE A 13 -4.782 -1.962 0.596 1.00 0.00 O ATOM 185 CB PHE A 13 -5.126 -0.848 3.354 1.00 0.00 C ATOM 186 CG PHE A 13 -5.352 -1.987 4.324 1.00 0.00 C ATOM 187 CD1 PHE A 13 -6.083 -3.122 3.924 1.00 0.00 C ATOM 188 CD2 PHE A 13 -4.935 -1.857 5.664 1.00 0.00 C ATOM 189 CE1 PHE A 13 -6.397 -4.117 4.867 1.00 0.00 C ATOM 190 CE2 PHE A 13 -5.270 -2.842 6.608 1.00 0.00 C ATOM 191 CZ PHE A 13 -5.999 -3.975 6.208 1.00 0.00 C ATOM 0 H PHE A 13 -4.143 0.275 0.844 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.997 -1.086 3.174 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.123 0.084 3.919 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -5.977 -0.806 2.674 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -6.401 -3.228 2.897 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -4.356 -0.997 5.966 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -6.947 -4.994 4.560 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.968 -2.729 7.639 1.00 0.00 H new ATOM 0 HZ PHE A 13 -6.253 -4.736 6.930 1.00 0.00 H new ATOM 201 N ILE A 14 -2.965 -2.973 1.455 1.00 0.00 N ATOM 202 CA ILE A 14 -2.901 -4.032 0.444 1.00 0.00 C ATOM 203 C ILE A 14 -2.973 -5.391 1.148 1.00 0.00 C ATOM 204 O ILE A 14 -2.381 -5.564 2.212 1.00 0.00 O ATOM 205 CB ILE A 14 -1.665 -3.883 -0.474 1.00 0.00 C ATOM 206 CG1 ILE A 14 -1.567 -2.487 -1.134 1.00 0.00 C ATOM 207 CG2 ILE A 14 -1.741 -4.902 -1.632 1.00 0.00 C ATOM 208 CD1 ILE A 14 -0.769 -1.450 -0.343 1.00 0.00 C ATOM 0 H ILE A 14 -2.230 -3.036 2.159 1.00 0.00 H new ATOM 0 HA ILE A 14 -3.756 -3.950 -0.227 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.800 -4.044 0.169 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.112 -2.599 -2.118 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -2.576 -2.105 -1.290 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.867 -4.790 -2.273 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -1.766 -5.913 -1.226 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.644 -4.723 -2.215 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.758 -0.506 -0.888 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.232 -1.301 0.632 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.254 -1.803 -0.209 1.00 0.00 H new ATOM 220 N GLY A 15 -3.687 -6.368 0.573 1.00 0.00 N ATOM 221 CA GLY A 15 -4.139 -7.539 1.321 1.00 0.00 C ATOM 222 C GLY A 15 -4.168 -8.878 0.591 1.00 0.00 C ATOM 223 O GLY A 15 -4.885 -9.766 1.047 1.00 0.00 O ATOM 0 H GLY A 15 -3.962 -6.366 -0.409 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -3.497 -7.647 2.195 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -5.145 -7.335 1.688 1.00 0.00 H new ATOM 227 N GLY A 16 -3.368 -9.059 -0.464 1.00 0.00 N ATOM 228 CA GLY A 16 -3.212 -10.364 -1.123 1.00 0.00 C ATOM 229 C GLY A 16 -1.820 -10.602 -1.713 1.00 0.00 C ATOM 230 O GLY A 16 -1.710 -11.124 -2.819 1.00 0.00 O ATOM 0 H GLY A 16 -2.813 -8.313 -0.884 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.429 -11.152 -0.402 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.952 -10.448 -1.919 1.00 0.00 H new ATOM 234 N LEU A 17 -0.753 -10.159 -1.044 1.00 0.00 N ATOM 235 CA LEU A 17 0.619 -10.214 -1.558 1.00 0.00 C ATOM 236 C LEU A 17 1.143 -11.651 -1.648 1.00 0.00 C ATOM 237 O LEU A 17 0.527 -12.593 -1.139 1.00 0.00 O ATOM 238 CB LEU A 17 1.579 -9.347 -0.714 1.00 0.00 C ATOM 239 CG LEU A 17 1.302 -7.831 -0.696 1.00 0.00 C ATOM 240 CD1 LEU A 17 0.920 -7.284 -2.069 1.00 0.00 C ATOM 241 CD2 LEU A 17 0.234 -7.430 0.316 1.00 0.00 C ATOM 0 H LEU A 17 -0.818 -9.745 -0.114 1.00 0.00 H new ATOM 0 HA LEU A 17 0.586 -9.806 -2.568 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.553 -9.711 0.313 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.593 -9.504 -1.082 1.00 0.00 H new ATOM 0 HG LEU A 17 2.249 -7.386 -0.392 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.737 -6.212 -1.995 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.733 -7.466 -2.772 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.017 -7.783 -2.421 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.085 -6.351 0.280 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.702 -7.934 0.076 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.555 -7.719 1.317 1.00 0.00 H new ATOM 253 N ASN A 18 2.296 -11.821 -2.302 1.00 0.00 N ATOM 254 CA ASN A 18 2.979 -13.104 -2.384 1.00 0.00 C ATOM 255 C ASN A 18 3.713 -13.387 -1.066 1.00 0.00 C ATOM 256 O ASN A 18 3.863 -12.503 -0.219 1.00 0.00 O ATOM 257 CB ASN A 18 3.936 -13.112 -3.595 1.00 0.00 C ATOM 258 CG ASN A 18 4.345 -14.510 -4.041 1.00 0.00 C ATOM 259 OD1 ASN A 18 3.760 -15.508 -3.624 1.00 0.00 O ATOM 260 ND2 ASN A 18 5.336 -14.610 -4.904 1.00 0.00 N ATOM 0 H ASN A 18 2.779 -11.066 -2.789 1.00 0.00 H new ATOM 0 HA ASN A 18 2.253 -13.903 -2.535 1.00 0.00 H new ATOM 0 HB2 ASN A 18 3.457 -12.599 -4.429 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.831 -12.544 -3.343 1.00 0.00 H new ATOM 0 HD21 ASN A 18 5.631 -15.528 -5.238 1.00 0.00 H new ATOM 0 HD22 ASN A 18 5.808 -13.770 -5.238 1.00 0.00 H new ATOM 267 N THR A 19 4.185 -14.621 -0.912 1.00 0.00 N ATOM 268 CA THR A 19 4.847 -15.180 0.266 1.00 0.00 C ATOM 269 C THR A 19 6.377 -15.098 0.177 1.00 0.00 C ATOM 270 O THR A 19 7.085 -15.825 0.877 1.00 0.00 O ATOM 271 CB THR A 19 4.363 -16.630 0.455 1.00 0.00 C ATOM 272 OG1 THR A 19 4.158 -17.265 -0.800 1.00 0.00 O ATOM 273 CG2 THR A 19 3.055 -16.671 1.242 1.00 0.00 C ATOM 0 H THR A 19 4.110 -15.308 -1.662 1.00 0.00 H new ATOM 0 HA THR A 19 4.576 -14.585 1.138 1.00 0.00 H new ATOM 0 HB THR A 19 5.139 -17.159 1.009 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.852 -18.185 -0.655 1.00 0.00 H new ATOM 0 HG21 THR A 19 2.735 -17.706 1.362 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.207 -16.222 2.224 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.289 -16.114 0.703 1.00 0.00 H new ATOM 281 N GLU A 20 6.906 -14.276 -0.728 1.00 0.00 N ATOM 282 CA GLU A 20 8.307 -13.884 -0.714 1.00 0.00 C ATOM 283 C GLU A 20 8.425 -12.461 -1.294 1.00 0.00 C ATOM 284 O GLU A 20 9.372 -12.129 -2.021 1.00 0.00 O ATOM 285 CB GLU A 20 9.138 -14.962 -1.438 1.00 0.00 C ATOM 286 CG GLU A 20 10.577 -15.067 -0.912 1.00 0.00 C ATOM 287 CD GLU A 20 10.642 -15.793 0.440 1.00 0.00 C ATOM 288 OE1 GLU A 20 10.317 -15.181 1.481 1.00 0.00 O ATOM 289 OE2 GLU A 20 11.025 -16.985 0.484 1.00 0.00 O ATOM 0 H GLU A 20 6.370 -13.864 -1.492 1.00 0.00 H new ATOM 0 HA GLU A 20 8.717 -13.831 0.295 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.645 -15.928 -1.327 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.163 -14.738 -2.504 1.00 0.00 H new ATOM 0 HG2 GLU A 20 11.191 -15.598 -1.639 1.00 0.00 H new ATOM 0 HG3 GLU A 20 10.999 -14.067 -0.808 1.00 0.00 H new ATOM 296 N THR A 21 7.405 -11.635 -1.031 1.00 0.00 N ATOM 297 CA THR A 21 7.403 -10.209 -1.308 1.00 0.00 C ATOM 298 C THR A 21 8.159 -9.533 -0.162 1.00 0.00 C ATOM 299 O THR A 21 7.763 -9.647 0.996 1.00 0.00 O ATOM 300 CB THR A 21 5.954 -9.695 -1.402 1.00 0.00 C ATOM 301 OG1 THR A 21 5.275 -10.291 -2.495 1.00 0.00 O ATOM 302 CG2 THR A 21 5.872 -8.174 -1.554 1.00 0.00 C ATOM 0 H THR A 21 6.536 -11.959 -0.607 1.00 0.00 H new ATOM 0 HA THR A 21 7.885 -9.986 -2.260 1.00 0.00 H new ATOM 0 HB THR A 21 5.479 -9.974 -0.461 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.417 -9.839 -2.633 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.827 -7.870 -1.615 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.339 -7.697 -0.692 1.00 0.00 H new ATOM 0 HG23 THR A 21 6.392 -7.871 -2.463 1.00 0.00 H new ATOM 310 N ASN A 22 9.221 -8.806 -0.499 1.00 0.00 N ATOM 311 CA ASN A 22 9.950 -7.893 0.379 1.00 0.00 C ATOM 312 C ASN A 22 9.674 -6.457 -0.084 1.00 0.00 C ATOM 313 O ASN A 22 8.995 -6.245 -1.086 1.00 0.00 O ATOM 314 CB ASN A 22 11.441 -8.254 0.459 1.00 0.00 C ATOM 315 CG ASN A 22 11.974 -8.823 -0.836 1.00 0.00 C ATOM 316 OD1 ASN A 22 11.895 -8.200 -1.881 1.00 0.00 O ATOM 317 ND2 ASN A 22 12.464 -10.041 -0.826 1.00 0.00 N ATOM 0 H ASN A 22 9.617 -8.839 -1.439 1.00 0.00 H new ATOM 0 HA ASN A 22 9.598 -7.985 1.406 1.00 0.00 H new ATOM 0 HB2 ASN A 22 12.012 -7.364 0.722 1.00 0.00 H new ATOM 0 HB3 ASN A 22 11.593 -8.979 1.259 1.00 0.00 H new ATOM 0 HD21 ASN A 22 12.781 -10.470 -1.695 1.00 0.00 H new ATOM 0 HD22 ASN A 22 12.528 -10.558 0.051 1.00 0.00 H new ATOM 324 N GLU A 23 10.140 -5.446 0.651 1.00 0.00 N ATOM 325 CA GLU A 23 9.693 -4.056 0.451 1.00 0.00 C ATOM 326 C GLU A 23 10.230 -3.518 -0.868 1.00 0.00 C ATOM 327 O GLU A 23 9.484 -2.949 -1.649 1.00 0.00 O ATOM 328 CB GLU A 23 10.125 -3.163 1.620 1.00 0.00 C ATOM 329 CG GLU A 23 9.478 -3.656 2.919 1.00 0.00 C ATOM 330 CD GLU A 23 10.240 -3.211 4.159 1.00 0.00 C ATOM 331 OE1 GLU A 23 11.418 -3.624 4.300 1.00 0.00 O ATOM 332 OE2 GLU A 23 9.669 -2.496 5.012 1.00 0.00 O ATOM 0 H GLU A 23 10.829 -5.559 1.394 1.00 0.00 H new ATOM 0 HA GLU A 23 8.604 -4.047 0.414 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.211 -3.175 1.717 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.834 -2.130 1.427 1.00 0.00 H new ATOM 0 HG2 GLU A 23 8.454 -3.286 2.974 1.00 0.00 H new ATOM 0 HG3 GLU A 23 9.423 -4.744 2.902 1.00 0.00 H new ATOM 339 N LYS A 24 11.485 -3.817 -1.191 1.00 0.00 N ATOM 340 CA LYS A 24 12.058 -3.580 -2.524 1.00 0.00 C ATOM 341 C LYS A 24 11.169 -4.131 -3.650 1.00 0.00 C ATOM 342 O LYS A 24 11.082 -3.545 -4.727 1.00 0.00 O ATOM 343 CB LYS A 24 13.464 -4.194 -2.585 1.00 0.00 C ATOM 344 CG LYS A 24 13.407 -5.729 -2.490 1.00 0.00 C ATOM 345 CD LYS A 24 14.760 -6.403 -2.273 1.00 0.00 C ATOM 346 CE LYS A 24 15.572 -6.393 -3.564 1.00 0.00 C ATOM 347 NZ LYS A 24 15.026 -7.325 -4.579 1.00 0.00 N ATOM 0 H LYS A 24 12.143 -4.234 -0.533 1.00 0.00 H new ATOM 0 HA LYS A 24 12.119 -2.503 -2.681 1.00 0.00 H new ATOM 0 HB2 LYS A 24 13.951 -3.903 -3.516 1.00 0.00 H new ATOM 0 HB3 LYS A 24 14.072 -3.799 -1.771 1.00 0.00 H new ATOM 0 HG2 LYS A 24 12.743 -6.005 -1.671 1.00 0.00 H new ATOM 0 HG3 LYS A 24 12.963 -6.120 -3.406 1.00 0.00 H new ATOM 0 HD2 LYS A 24 15.309 -5.886 -1.486 1.00 0.00 H new ATOM 0 HD3 LYS A 24 14.612 -7.429 -1.937 1.00 0.00 H new ATOM 0 HE2 LYS A 24 15.588 -5.383 -3.973 1.00 0.00 H new ATOM 0 HE3 LYS A 24 16.605 -6.664 -3.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 15.746 -7.505 -5.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 14.765 -8.222 -4.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 14.184 -6.903 -5.020 1.00 0.00 H new ATOM 361 N ALA A 25 10.515 -5.269 -3.415 1.00 0.00 N ATOM 362 CA ALA A 25 9.668 -5.954 -4.375 1.00 0.00 C ATOM 363 C ALA A 25 8.229 -5.432 -4.334 1.00 0.00 C ATOM 364 O ALA A 25 7.380 -5.936 -5.072 1.00 0.00 O ATOM 365 CB ALA A 25 9.741 -7.453 -4.096 1.00 0.00 C ATOM 0 H ALA A 25 10.566 -5.751 -2.518 1.00 0.00 H new ATOM 0 HA ALA A 25 10.026 -5.757 -5.386 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.111 -7.987 -4.807 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.772 -7.792 -4.199 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.393 -7.652 -3.082 1.00 0.00 H new ATOM 371 N LEU A 26 7.952 -4.431 -3.495 1.00 0.00 N ATOM 372 CA LEU A 26 6.811 -3.534 -3.556 1.00 0.00 C ATOM 373 C LEU A 26 7.216 -2.217 -4.210 1.00 0.00 C ATOM 374 O LEU A 26 6.417 -1.667 -4.959 1.00 0.00 O ATOM 375 CB LEU A 26 6.266 -3.278 -2.139 1.00 0.00 C ATOM 376 CG LEU A 26 5.459 -4.453 -1.575 1.00 0.00 C ATOM 377 CD1 LEU A 26 4.954 -4.118 -0.166 1.00 0.00 C ATOM 378 CD2 LEU A 26 4.277 -4.760 -2.498 1.00 0.00 C ATOM 0 H LEU A 26 8.563 -4.217 -2.706 1.00 0.00 H new ATOM 0 HA LEU A 26 6.028 -3.997 -4.156 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.100 -3.065 -1.470 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.636 -2.389 -2.155 1.00 0.00 H new ATOM 0 HG LEU A 26 6.102 -5.331 -1.517 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.382 -4.959 0.225 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.804 -3.922 0.488 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.317 -3.235 -0.208 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.707 -5.596 -2.093 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.634 -3.883 -2.570 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.648 -5.020 -3.489 1.00 0.00 H new ATOM 390 N GLU A 27 8.455 -1.758 -4.016 1.00 0.00 N ATOM 391 CA GLU A 27 9.032 -0.576 -4.662 1.00 0.00 C ATOM 392 C GLU A 27 9.245 -0.796 -6.168 1.00 0.00 C ATOM 393 O GLU A 27 9.588 0.136 -6.898 1.00 0.00 O ATOM 394 CB GLU A 27 10.390 -0.219 -4.031 1.00 0.00 C ATOM 395 CG GLU A 27 10.313 0.160 -2.546 1.00 0.00 C ATOM 396 CD GLU A 27 11.669 0.131 -1.824 1.00 0.00 C ATOM 397 OE1 GLU A 27 12.721 -0.018 -2.487 1.00 0.00 O ATOM 398 OE2 GLU A 27 11.673 0.206 -0.572 1.00 0.00 O ATOM 0 H GLU A 27 9.108 -2.216 -3.381 1.00 0.00 H new ATOM 0 HA GLU A 27 8.321 0.238 -4.516 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.065 -1.068 -4.143 1.00 0.00 H new ATOM 0 HB3 GLU A 27 10.828 0.612 -4.584 1.00 0.00 H new ATOM 0 HG2 GLU A 27 9.887 1.159 -2.458 1.00 0.00 H new ATOM 0 HG3 GLU A 27 9.630 -0.523 -2.042 1.00 0.00 H new ATOM 405 N ALA A 28 8.972 -1.995 -6.683 1.00 0.00 N ATOM 406 CA ALA A 28 8.863 -2.237 -8.113 1.00 0.00 C ATOM 407 C ALA A 28 7.423 -2.185 -8.637 1.00 0.00 C ATOM 408 O ALA A 28 7.233 -2.126 -9.853 1.00 0.00 O ATOM 409 CB ALA A 28 9.489 -3.598 -8.413 1.00 0.00 C ATOM 0 H ALA A 28 8.820 -2.827 -6.113 1.00 0.00 H new ATOM 0 HA ALA A 28 9.391 -1.435 -8.630 1.00 0.00 H new ATOM 0 HB1 ALA A 28 9.419 -3.803 -9.481 1.00 0.00 H new ATOM 0 HB2 ALA A 28 10.537 -3.591 -8.112 1.00 0.00 H new ATOM 0 HB3 ALA A 28 8.958 -4.373 -7.860 1.00 0.00 H new ATOM 415 N VAL A 29 6.410 -2.233 -7.772 1.00 0.00 N ATOM 416 CA VAL A 29 5.040 -2.513 -8.184 1.00 0.00 C ATOM 417 C VAL A 29 4.280 -1.237 -8.519 1.00 0.00 C ATOM 418 O VAL A 29 3.407 -1.278 -9.391 1.00 0.00 O ATOM 419 CB VAL A 29 4.330 -3.332 -7.085 1.00 0.00 C ATOM 420 CG1 VAL A 29 2.858 -3.612 -7.406 1.00 0.00 C ATOM 421 CG2 VAL A 29 5.049 -4.672 -6.885 1.00 0.00 C ATOM 0 H VAL A 29 6.518 -2.079 -6.770 1.00 0.00 H new ATOM 0 HA VAL A 29 5.063 -3.104 -9.100 1.00 0.00 H new ATOM 0 HB VAL A 29 4.367 -2.729 -6.178 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.413 -4.191 -6.597 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.323 -2.668 -7.514 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.789 -4.176 -8.336 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.542 -5.244 -6.108 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.035 -5.235 -7.818 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.081 -4.490 -6.587 1.00 0.00 H new ATOM 431 N PHE A 30 4.573 -0.126 -7.840 1.00 0.00 N ATOM 432 CA PHE A 30 3.644 0.989 -7.742 1.00 0.00 C ATOM 433 C PHE A 30 4.255 2.335 -8.128 1.00 0.00 C ATOM 434 O PHE A 30 3.503 3.273 -8.385 1.00 0.00 O ATOM 435 CB PHE A 30 3.099 1.060 -6.318 1.00 0.00 C ATOM 436 CG PHE A 30 2.238 -0.098 -5.848 1.00 0.00 C ATOM 437 CD1 PHE A 30 0.921 -0.226 -6.338 1.00 0.00 C ATOM 438 CD2 PHE A 30 2.712 -0.996 -4.868 1.00 0.00 C ATOM 439 CE1 PHE A 30 0.076 -1.234 -5.843 1.00 0.00 C ATOM 440 CE2 PHE A 30 1.848 -1.974 -4.361 1.00 0.00 C ATOM 441 CZ PHE A 30 0.534 -2.101 -4.839 1.00 0.00 C ATOM 0 H PHE A 30 5.455 0.021 -7.348 1.00 0.00 H new ATOM 0 HA PHE A 30 2.846 0.800 -8.460 1.00 0.00 H new ATOM 0 HB2 PHE A 30 3.945 1.151 -5.636 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.515 1.975 -6.225 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.561 0.453 -7.096 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.730 -0.930 -4.513 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.925 -1.341 -6.235 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.198 -2.643 -3.589 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.120 -2.861 -4.437 1.00 0.00 H new ATOM 451 N GLY A 31 5.581 2.455 -8.244 1.00 0.00 N ATOM 452 CA GLY A 31 6.230 3.682 -8.695 1.00 0.00 C ATOM 453 C GLY A 31 5.802 4.090 -10.107 1.00 0.00 C ATOM 454 O GLY A 31 6.045 5.215 -10.537 1.00 0.00 O ATOM 0 H GLY A 31 6.232 1.701 -8.027 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.995 4.489 -8.001 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.311 3.546 -8.672 1.00 0.00 H new ATOM 458 N LYS A 32 5.113 3.206 -10.835 1.00 0.00 N ATOM 459 CA LYS A 32 4.518 3.479 -12.135 1.00 0.00 C ATOM 460 C LYS A 32 3.246 4.344 -12.040 1.00 0.00 C ATOM 461 O LYS A 32 2.704 4.708 -13.088 1.00 0.00 O ATOM 462 CB LYS A 32 4.315 2.142 -12.869 1.00 0.00 C ATOM 463 CG LYS A 32 3.198 1.284 -12.256 1.00 0.00 C ATOM 464 CD LYS A 32 3.448 -0.225 -12.340 1.00 0.00 C ATOM 465 CE LYS A 32 3.541 -0.814 -13.752 1.00 0.00 C ATOM 466 NZ LYS A 32 3.843 -2.264 -13.693 1.00 0.00 N ATOM 0 H LYS A 32 4.952 2.250 -10.519 1.00 0.00 H new ATOM 0 HA LYS A 32 5.197 4.092 -12.727 1.00 0.00 H new ATOM 0 HB2 LYS A 32 4.081 2.340 -13.915 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.248 1.579 -12.852 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.074 1.563 -11.210 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.260 1.514 -12.761 1.00 0.00 H new ATOM 0 HD2 LYS A 32 4.375 -0.449 -11.813 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.646 -0.736 -11.807 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.602 -0.654 -14.281 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.317 -0.298 -14.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.902 -2.646 -14.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 4.751 -2.410 -13.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.088 -2.755 -13.172 1.00 0.00 H new ATOM 480 N TYR A 33 2.797 4.706 -10.830 1.00 0.00 N ATOM 481 CA TYR A 33 1.609 5.522 -10.565 1.00 0.00 C ATOM 482 C TYR A 33 1.917 6.844 -9.855 1.00 0.00 C ATOM 483 O TYR A 33 1.010 7.669 -9.720 1.00 0.00 O ATOM 484 CB TYR A 33 0.604 4.711 -9.733 1.00 0.00 C ATOM 485 CG TYR A 33 0.224 3.390 -10.367 1.00 0.00 C ATOM 486 CD1 TYR A 33 -0.514 3.376 -11.563 1.00 0.00 C ATOM 487 CD2 TYR A 33 0.676 2.184 -9.804 1.00 0.00 C ATOM 488 CE1 TYR A 33 -0.764 2.162 -12.220 1.00 0.00 C ATOM 489 CE2 TYR A 33 0.405 0.959 -10.438 1.00 0.00 C ATOM 490 CZ TYR A 33 -0.302 0.951 -11.660 1.00 0.00 C ATOM 491 OH TYR A 33 -0.535 -0.222 -12.296 1.00 0.00 O ATOM 0 H TYR A 33 3.274 4.425 -9.974 1.00 0.00 H new ATOM 0 HA TYR A 33 1.188 5.783 -11.536 1.00 0.00 H new ATOM 0 HB2 TYR A 33 1.028 4.523 -8.747 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -0.297 5.306 -9.584 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -0.889 4.301 -11.977 1.00 0.00 H new ATOM 0 HD2 TYR A 33 1.234 2.199 -8.880 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.309 2.154 -13.152 1.00 0.00 H new ATOM 0 HE2 TYR A 33 0.735 0.031 -9.994 1.00 0.00 H new ATOM 0 HH TYR A 33 -1.328 -0.134 -12.865 1.00 0.00 H new ATOM 501 N GLY A 34 3.151 7.055 -9.393 1.00 0.00 N ATOM 502 CA GLY A 34 3.513 8.194 -8.569 1.00 0.00 C ATOM 503 C GLY A 34 4.778 7.890 -7.777 1.00 0.00 C ATOM 504 O GLY A 34 5.532 6.981 -8.143 1.00 0.00 O ATOM 0 H GLY A 34 3.932 6.428 -9.587 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.670 9.071 -9.197 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.697 8.433 -7.887 1.00 0.00 H new ATOM 508 N ARG A 35 5.055 8.651 -6.717 1.00 0.00 N ATOM 509 CA ARG A 35 6.337 8.622 -6.025 1.00 0.00 C ATOM 510 C ARG A 35 6.158 8.038 -4.633 1.00 0.00 C ATOM 511 O ARG A 35 5.722 8.717 -3.707 1.00 0.00 O ATOM 512 CB ARG A 35 6.955 10.028 -6.040 1.00 0.00 C ATOM 513 CG ARG A 35 8.423 9.977 -5.606 1.00 0.00 C ATOM 514 CD ARG A 35 9.152 11.274 -5.968 1.00 0.00 C ATOM 515 NE ARG A 35 10.607 11.073 -5.958 1.00 0.00 N ATOM 516 CZ ARG A 35 11.409 10.986 -4.895 1.00 0.00 C ATOM 517 NH1 ARG A 35 11.003 11.233 -3.653 1.00 0.00 N ATOM 518 NH2 ARG A 35 12.670 10.650 -5.098 1.00 0.00 N ATOM 0 H ARG A 35 4.388 9.309 -6.314 1.00 0.00 H new ATOM 0 HA ARG A 35 7.043 7.968 -6.536 1.00 0.00 H new ATOM 0 HB2 ARG A 35 6.881 10.453 -7.041 1.00 0.00 H new ATOM 0 HB3 ARG A 35 6.396 10.684 -5.373 1.00 0.00 H new ATOM 0 HG2 ARG A 35 8.482 9.812 -4.530 1.00 0.00 H new ATOM 0 HG3 ARG A 35 8.918 9.132 -6.086 1.00 0.00 H new ATOM 0 HD2 ARG A 35 8.834 11.613 -6.954 1.00 0.00 H new ATOM 0 HD3 ARG A 35 8.883 12.058 -5.260 1.00 0.00 H new ATOM 0 HE ARG A 35 11.057 10.990 -6.870 1.00 0.00 H new ATOM 0 HH11 ARG A 35 10.036 11.504 -3.477 1.00 0.00 H new ATOM 0 HH12 ARG A 35 11.659 11.151 -2.876 1.00 0.00 H new ATOM 0 HH21 ARG A 35 13.003 10.466 -6.045 1.00 0.00 H new ATOM 0 HH22 ARG A 35 13.311 10.574 -4.308 1.00 0.00 H new ATOM 532 N ILE A 36 6.484 6.758 -4.471 1.00 0.00 N ATOM 533 CA ILE A 36 6.608 6.162 -3.145 1.00 0.00 C ATOM 534 C ILE A 36 7.771 6.839 -2.435 1.00 0.00 C ATOM 535 O ILE A 36 8.769 7.210 -3.054 1.00 0.00 O ATOM 536 CB ILE A 36 6.805 4.640 -3.279 1.00 0.00 C ATOM 537 CG1 ILE A 36 5.429 4.063 -3.671 1.00 0.00 C ATOM 538 CG2 ILE A 36 7.343 3.881 -2.047 1.00 0.00 C ATOM 539 CD1 ILE A 36 5.379 2.564 -3.946 1.00 0.00 C ATOM 0 H ILE A 36 6.667 6.115 -5.241 1.00 0.00 H new ATOM 0 HA ILE A 36 5.705 6.312 -2.553 1.00 0.00 H new ATOM 0 HB ILE A 36 7.592 4.497 -4.019 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.723 4.288 -2.871 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.080 4.586 -4.561 1.00 0.00 H new ATOM 0 HG21 ILE A 36 7.432 2.821 -2.283 1.00 0.00 H new ATOM 0 HG22 ILE A 36 8.322 4.276 -1.776 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.655 4.010 -1.211 1.00 0.00 H new ATOM 0 HD11 ILE A 36 4.362 2.276 -4.211 1.00 0.00 H new ATOM 0 HD12 ILE A 36 6.051 2.323 -4.770 1.00 0.00 H new ATOM 0 HD13 ILE A 36 5.689 2.020 -3.054 1.00 0.00 H new ATOM 551 N VAL A 37 7.637 6.957 -1.123 1.00 0.00 N ATOM 552 CA VAL A 37 8.578 7.567 -0.210 1.00 0.00 C ATOM 553 C VAL A 37 8.643 6.808 1.137 1.00 0.00 C ATOM 554 O VAL A 37 9.390 7.204 2.035 1.00 0.00 O ATOM 555 CB VAL A 37 8.115 9.032 -0.129 1.00 0.00 C ATOM 556 CG1 VAL A 37 6.792 9.216 0.635 1.00 0.00 C ATOM 557 CG2 VAL A 37 9.139 10.013 0.401 1.00 0.00 C ATOM 0 H VAL A 37 6.811 6.604 -0.640 1.00 0.00 H new ATOM 0 HA VAL A 37 9.615 7.522 -0.543 1.00 0.00 H new ATOM 0 HB VAL A 37 7.959 9.276 -1.180 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.526 10.273 0.653 1.00 0.00 H new ATOM 0 HG12 VAL A 37 6.003 8.652 0.138 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.908 8.854 1.656 1.00 0.00 H new ATOM 0 HG21 VAL A 37 8.709 11.015 0.416 1.00 0.00 H new ATOM 0 HG22 VAL A 37 9.428 9.727 1.412 1.00 0.00 H new ATOM 0 HG23 VAL A 37 10.018 10.005 -0.243 1.00 0.00 H new ATOM 567 N GLU A 38 7.853 5.736 1.274 1.00 0.00 N ATOM 568 CA GLU A 38 7.671 4.878 2.437 1.00 0.00 C ATOM 569 C GLU A 38 7.088 3.528 2.009 1.00 0.00 C ATOM 570 O GLU A 38 6.206 3.476 1.147 1.00 0.00 O ATOM 571 CB GLU A 38 6.636 5.488 3.393 1.00 0.00 C ATOM 572 CG GLU A 38 7.224 5.689 4.784 1.00 0.00 C ATOM 573 CD GLU A 38 6.184 6.234 5.777 1.00 0.00 C ATOM 574 OE1 GLU A 38 4.981 6.353 5.444 1.00 0.00 O ATOM 575 OE2 GLU A 38 6.550 6.487 6.946 1.00 0.00 O ATOM 0 H GLU A 38 7.273 5.423 0.496 1.00 0.00 H new ATOM 0 HA GLU A 38 8.645 4.768 2.914 1.00 0.00 H new ATOM 0 HB2 GLU A 38 6.292 6.444 2.999 1.00 0.00 H new ATOM 0 HB3 GLU A 38 5.765 4.836 3.454 1.00 0.00 H new ATOM 0 HG2 GLU A 38 7.615 4.741 5.153 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.066 6.379 4.725 1.00 0.00 H new ATOM 582 N VAL A 39 7.460 2.457 2.705 1.00 0.00 N ATOM 583 CA VAL A 39 6.898 1.119 2.586 1.00 0.00 C ATOM 584 C VAL A 39 6.826 0.555 4.020 1.00 0.00 C ATOM 585 O VAL A 39 7.461 1.116 4.925 1.00 0.00 O ATOM 586 CB VAL A 39 7.779 0.289 1.610 1.00 0.00 C ATOM 587 CG1 VAL A 39 7.051 -0.990 1.206 1.00 0.00 C ATOM 588 CG2 VAL A 39 8.118 1.060 0.318 1.00 0.00 C ATOM 0 H VAL A 39 8.201 2.504 3.404 1.00 0.00 H new ATOM 0 HA VAL A 39 5.894 1.097 2.161 1.00 0.00 H new ATOM 0 HB VAL A 39 8.704 0.069 2.143 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.676 -1.564 0.522 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.842 -1.586 2.094 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.113 -0.735 0.712 1.00 0.00 H new ATOM 0 HG21 VAL A 39 8.735 0.435 -0.328 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.196 1.321 -0.202 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.663 1.970 0.570 1.00 0.00 H new ATOM 598 N LEU A 40 6.056 -0.506 4.284 1.00 0.00 N ATOM 599 CA LEU A 40 6.120 -1.245 5.546 1.00 0.00 C ATOM 600 C LEU A 40 5.711 -2.693 5.277 1.00 0.00 C ATOM 601 O LEU A 40 4.689 -2.936 4.626 1.00 0.00 O ATOM 602 CB LEU A 40 5.193 -0.598 6.600 1.00 0.00 C ATOM 603 CG LEU A 40 5.710 -0.589 8.054 1.00 0.00 C ATOM 604 CD1 LEU A 40 6.039 -1.984 8.593 1.00 0.00 C ATOM 605 CD2 LEU A 40 6.924 0.331 8.239 1.00 0.00 C ATOM 0 H LEU A 40 5.370 -0.876 3.626 1.00 0.00 H new ATOM 0 HA LEU A 40 7.135 -1.218 5.943 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.000 0.432 6.299 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.236 -1.120 6.581 1.00 0.00 H new ATOM 0 HG LEU A 40 4.877 -0.195 8.637 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.397 -1.902 9.619 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.143 -2.604 8.569 1.00 0.00 H new ATOM 0 HD13 LEU A 40 6.812 -2.440 7.975 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.248 0.301 9.279 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.737 -0.006 7.596 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.650 1.352 7.974 1.00 0.00 H new ATOM 617 N LEU A 41 6.481 -3.659 5.785 1.00 0.00 N ATOM 618 CA LEU A 41 6.231 -5.078 5.591 1.00 0.00 C ATOM 619 C LEU A 41 6.198 -5.795 6.931 1.00 0.00 C ATOM 620 O LEU A 41 7.188 -5.861 7.660 1.00 0.00 O ATOM 621 CB LEU A 41 7.305 -5.678 4.683 1.00 0.00 C ATOM 622 CG LEU A 41 7.135 -7.186 4.438 1.00 0.00 C ATOM 623 CD1 LEU A 41 5.792 -7.512 3.767 1.00 0.00 C ATOM 624 CD2 LEU A 41 8.252 -7.648 3.519 1.00 0.00 C ATOM 0 H LEU A 41 7.308 -3.467 6.351 1.00 0.00 H new ATOM 0 HA LEU A 41 5.260 -5.205 5.112 1.00 0.00 H new ATOM 0 HB2 LEU A 41 7.289 -5.159 3.725 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.285 -5.499 5.126 1.00 0.00 H new ATOM 0 HG LEU A 41 7.166 -7.693 5.402 1.00 0.00 H new ATOM 0 HD11 LEU A 41 5.714 -8.588 3.613 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.975 -7.177 4.406 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.733 -7.002 2.805 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.150 -8.717 3.332 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.193 -7.107 2.575 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.215 -7.452 3.990 1.00 0.00 H new ATOM 636 N MET A 42 5.034 -6.357 7.226 1.00 0.00 N ATOM 637 CA MET A 42 4.784 -7.227 8.365 1.00 0.00 C ATOM 638 C MET A 42 5.398 -8.606 8.057 1.00 0.00 C ATOM 639 O MET A 42 5.687 -8.914 6.901 1.00 0.00 O ATOM 640 CB MET A 42 3.261 -7.304 8.603 1.00 0.00 C ATOM 641 CG MET A 42 2.483 -6.031 8.224 1.00 0.00 C ATOM 642 SD MET A 42 3.001 -4.490 9.023 1.00 0.00 S ATOM 643 CE MET A 42 2.787 -5.004 10.744 1.00 0.00 C ATOM 0 H MET A 42 4.203 -6.212 6.653 1.00 0.00 H new ATOM 0 HA MET A 42 5.242 -6.845 9.277 1.00 0.00 H new ATOM 0 HB2 MET A 42 2.860 -8.141 8.032 1.00 0.00 H new ATOM 0 HB3 MET A 42 3.083 -7.522 9.656 1.00 0.00 H new ATOM 0 HG2 MET A 42 2.557 -5.896 7.145 1.00 0.00 H new ATOM 0 HG3 MET A 42 1.430 -6.195 8.453 1.00 0.00 H new ATOM 0 HE1 MET A 42 2.832 -4.130 11.393 1.00 0.00 H new ATOM 0 HE2 MET A 42 1.820 -5.493 10.860 1.00 0.00 H new ATOM 0 HE3 MET A 42 3.580 -5.700 11.017 1.00 0.00 H new ATOM 653 N LYS A 43 5.526 -9.508 9.027 1.00 0.00 N ATOM 654 CA LYS A 43 6.122 -10.829 8.908 1.00 0.00 C ATOM 655 C LYS A 43 5.321 -11.775 9.783 1.00 0.00 C ATOM 656 O LYS A 43 4.601 -11.337 10.686 1.00 0.00 O ATOM 657 CB LYS A 43 7.586 -10.774 9.354 1.00 0.00 C ATOM 658 CG LYS A 43 8.443 -10.205 8.218 1.00 0.00 C ATOM 659 CD LYS A 43 9.785 -9.674 8.723 1.00 0.00 C ATOM 660 CE LYS A 43 10.505 -8.893 7.612 1.00 0.00 C ATOM 661 NZ LYS A 43 11.890 -8.528 7.979 1.00 0.00 N ATOM 0 H LYS A 43 5.195 -9.321 9.974 1.00 0.00 H new ATOM 0 HA LYS A 43 6.102 -11.178 7.876 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.683 -10.153 10.244 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.934 -11.772 9.622 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.618 -10.981 7.472 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.899 -9.402 7.721 1.00 0.00 H new ATOM 0 HD2 LYS A 43 9.626 -9.028 9.586 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.409 -10.503 9.056 1.00 0.00 H new ATOM 0 HE2 LYS A 43 10.520 -9.493 6.702 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.942 -7.987 7.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 12.330 -8.004 7.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 11.878 -7.932 8.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 12.438 -9.391 8.168 1.00 0.00 H new ATOM 675 N ASP A 44 5.325 -13.050 9.429 1.00 0.00 N ATOM 676 CA ASP A 44 4.592 -14.064 10.169 1.00 0.00 C ATOM 677 C ASP A 44 5.352 -14.373 11.452 1.00 0.00 C ATOM 678 O ASP A 44 6.551 -14.644 11.389 1.00 0.00 O ATOM 679 CB ASP A 44 4.430 -15.342 9.342 1.00 0.00 C ATOM 680 CG ASP A 44 3.329 -16.260 9.877 1.00 0.00 C ATOM 681 OD1 ASP A 44 2.875 -16.040 11.025 1.00 0.00 O ATOM 682 OD2 ASP A 44 2.953 -17.197 9.137 1.00 0.00 O ATOM 0 H ASP A 44 5.835 -13.410 8.623 1.00 0.00 H new ATOM 0 HA ASP A 44 3.596 -13.686 10.399 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.204 -15.075 8.310 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.375 -15.884 9.331 1.00 0.00 H new ATOM 687 N ARG A 45 4.673 -14.372 12.602 1.00 0.00 N ATOM 688 CA ARG A 45 5.259 -14.815 13.868 1.00 0.00 C ATOM 689 C ARG A 45 5.718 -16.266 13.800 1.00 0.00 C ATOM 690 O ARG A 45 6.596 -16.643 14.573 1.00 0.00 O ATOM 691 CB ARG A 45 4.277 -14.632 15.043 1.00 0.00 C ATOM 692 CG ARG A 45 2.930 -15.358 14.890 1.00 0.00 C ATOM 693 CD ARG A 45 2.093 -15.219 16.168 1.00 0.00 C ATOM 694 NE ARG A 45 0.667 -15.493 15.930 1.00 0.00 N ATOM 695 CZ ARG A 45 0.120 -16.692 15.707 1.00 0.00 C ATOM 696 NH1 ARG A 45 0.836 -17.801 15.719 1.00 0.00 N ATOM 697 NH2 ARG A 45 -1.169 -16.808 15.433 1.00 0.00 N ATOM 0 H ARG A 45 3.704 -14.065 12.681 1.00 0.00 H new ATOM 0 HA ARG A 45 6.131 -14.185 14.043 1.00 0.00 H new ATOM 0 HB2 ARG A 45 4.759 -14.982 15.956 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.085 -13.567 15.172 1.00 0.00 H new ATOM 0 HG2 ARG A 45 2.382 -14.944 14.043 1.00 0.00 H new ATOM 0 HG3 ARG A 45 3.102 -16.413 14.674 1.00 0.00 H new ATOM 0 HD2 ARG A 45 2.472 -15.906 16.925 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.206 -14.211 16.567 1.00 0.00 H new ATOM 0 HE ARG A 45 0.036 -14.692 15.936 1.00 0.00 H new ATOM 0 HH11 ARG A 45 1.838 -17.759 15.902 1.00 0.00 H new ATOM 0 HH12 ARG A 45 0.387 -18.700 15.545 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -1.758 -15.976 15.390 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -1.574 -17.729 15.265 1.00 0.00 H new ATOM 711 N GLU A 46 5.148 -17.064 12.894 1.00 0.00 N ATOM 712 CA GLU A 46 5.320 -18.492 12.859 1.00 0.00 C ATOM 713 C GLU A 46 6.788 -18.812 12.650 1.00 0.00 C ATOM 714 O GLU A 46 7.372 -19.561 13.434 1.00 0.00 O ATOM 715 CB GLU A 46 4.389 -19.025 11.760 1.00 0.00 C ATOM 716 CG GLU A 46 4.536 -20.517 11.468 1.00 0.00 C ATOM 717 CD GLU A 46 4.445 -21.378 12.728 1.00 0.00 C ATOM 718 OE1 GLU A 46 3.595 -21.095 13.605 1.00 0.00 O ATOM 719 OE2 GLU A 46 5.294 -22.284 12.881 1.00 0.00 O ATOM 0 H GLU A 46 4.542 -16.712 12.153 1.00 0.00 H new ATOM 0 HA GLU A 46 5.047 -18.982 13.794 1.00 0.00 H new ATOM 0 HB2 GLU A 46 3.357 -18.825 12.048 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.577 -18.469 10.842 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.760 -20.824 10.767 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.494 -20.695 10.980 1.00 0.00 H new ATOM 726 N THR A 47 7.386 -18.225 11.615 1.00 0.00 N ATOM 727 CA THR A 47 8.766 -18.496 11.252 1.00 0.00 C ATOM 728 C THR A 47 9.233 -17.393 10.286 1.00 0.00 C ATOM 729 O THR A 47 9.674 -17.646 9.166 1.00 0.00 O ATOM 730 CB THR A 47 8.876 -19.975 10.777 1.00 0.00 C ATOM 731 OG1 THR A 47 10.200 -20.436 10.630 1.00 0.00 O ATOM 732 CG2 THR A 47 8.070 -20.302 9.536 1.00 0.00 C ATOM 0 H THR A 47 6.923 -17.549 11.008 1.00 0.00 H new ATOM 0 HA THR A 47 9.468 -18.440 12.084 1.00 0.00 H new ATOM 0 HB THR A 47 8.425 -20.521 11.606 1.00 0.00 H new ATOM 0 HG1 THR A 47 10.190 -21.369 10.332 1.00 0.00 H new ATOM 0 HG21 THR A 47 8.207 -21.352 9.279 1.00 0.00 H new ATOM 0 HG22 THR A 47 7.014 -20.110 9.727 1.00 0.00 H new ATOM 0 HG23 THR A 47 8.408 -19.679 8.708 1.00 0.00 H new ATOM 740 N ASN A 48 9.068 -16.127 10.697 1.00 0.00 N ATOM 741 CA ASN A 48 9.543 -14.917 10.006 1.00 0.00 C ATOM 742 C ASN A 48 8.982 -14.749 8.583 1.00 0.00 C ATOM 743 O ASN A 48 9.525 -13.971 7.790 1.00 0.00 O ATOM 744 CB ASN A 48 11.084 -14.867 10.026 1.00 0.00 C ATOM 745 CG ASN A 48 11.683 -15.163 11.396 1.00 0.00 C ATOM 746 OD1 ASN A 48 12.205 -16.247 11.641 1.00 0.00 O ATOM 747 ND2 ASN A 48 11.631 -14.230 12.328 1.00 0.00 N ATOM 0 H ASN A 48 8.576 -15.907 11.563 1.00 0.00 H new ATOM 0 HA ASN A 48 9.152 -14.064 10.561 1.00 0.00 H new ATOM 0 HB2 ASN A 48 11.473 -15.586 9.305 1.00 0.00 H new ATOM 0 HB3 ASN A 48 11.412 -13.880 9.700 1.00 0.00 H new ATOM 0 HD21 ASN A 48 12.024 -14.409 13.252 1.00 0.00 H new ATOM 0 HD22 ASN A 48 11.197 -13.329 12.124 1.00 0.00 H new ATOM 754 N LYS A 49 7.918 -15.487 8.243 1.00 0.00 N ATOM 755 CA LYS A 49 7.387 -15.604 6.883 1.00 0.00 C ATOM 756 C LYS A 49 6.773 -14.289 6.388 1.00 0.00 C ATOM 757 O LYS A 49 6.730 -13.288 7.096 1.00 0.00 O ATOM 758 CB LYS A 49 6.383 -16.774 6.764 1.00 0.00 C ATOM 759 CG LYS A 49 6.603 -17.955 7.714 1.00 0.00 C ATOM 760 CD LYS A 49 5.578 -19.079 7.511 1.00 0.00 C ATOM 761 CE LYS A 49 6.086 -20.073 6.468 1.00 0.00 C ATOM 762 NZ LYS A 49 5.189 -21.237 6.335 1.00 0.00 N ATOM 0 H LYS A 49 7.391 -16.032 8.925 1.00 0.00 H new ATOM 0 HA LYS A 49 8.233 -15.827 6.232 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.380 -16.382 6.931 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.413 -17.148 5.741 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.607 -18.353 7.565 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.550 -17.602 8.744 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.398 -19.592 8.456 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.625 -18.659 7.190 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.177 -19.573 5.504 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.083 -20.413 6.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 5.569 -21.888 5.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.122 -21.730 7.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.244 -20.915 6.045 1.00 0.00 H new ATOM 776 N SER A 50 6.201 -14.301 5.200 1.00 0.00 N ATOM 777 CA SER A 50 5.704 -13.172 4.441 1.00 0.00 C ATOM 778 C SER A 50 4.199 -13.423 4.280 1.00 0.00 C ATOM 779 O SER A 50 3.775 -14.199 3.425 1.00 0.00 O ATOM 780 CB SER A 50 6.573 -13.194 3.172 1.00 0.00 C ATOM 781 OG SER A 50 6.092 -12.640 1.968 1.00 0.00 O ATOM 0 H SER A 50 6.060 -15.178 4.698 1.00 0.00 H new ATOM 0 HA SER A 50 5.780 -12.171 4.865 1.00 0.00 H new ATOM 0 HB2 SER A 50 7.506 -12.684 3.411 1.00 0.00 H new ATOM 0 HB3 SER A 50 6.822 -14.236 2.970 1.00 0.00 H new ATOM 0 HG SER A 50 6.821 -12.593 1.315 1.00 0.00 H new ATOM 787 N ARG A 51 3.371 -12.871 5.182 1.00 0.00 N ATOM 788 CA ARG A 51 1.909 -13.056 5.074 1.00 0.00 C ATOM 789 C ARG A 51 1.393 -12.157 3.937 1.00 0.00 C ATOM 790 O ARG A 51 2.044 -11.191 3.548 1.00 0.00 O ATOM 791 CB ARG A 51 1.111 -12.754 6.368 1.00 0.00 C ATOM 792 CG ARG A 51 1.850 -12.842 7.717 1.00 0.00 C ATOM 793 CD ARG A 51 2.268 -11.453 8.234 1.00 0.00 C ATOM 794 NE ARG A 51 3.184 -10.746 7.311 1.00 0.00 N ATOM 795 CZ ARG A 51 2.816 -9.988 6.268 1.00 0.00 C ATOM 796 NH1 ARG A 51 1.580 -9.523 6.182 1.00 0.00 N ATOM 797 NH2 ARG A 51 3.678 -9.691 5.308 1.00 0.00 N ATOM 0 H ARG A 51 3.675 -12.307 5.975 1.00 0.00 H new ATOM 0 HA ARG A 51 1.746 -14.115 4.876 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.700 -11.748 6.279 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.266 -13.441 6.406 1.00 0.00 H new ATOM 0 HG2 ARG A 51 1.207 -13.325 8.453 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.734 -13.470 7.606 1.00 0.00 H new ATOM 0 HD2 ARG A 51 1.376 -10.845 8.389 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.752 -11.563 9.205 1.00 0.00 H new ATOM 0 HE ARG A 51 4.184 -10.844 7.484 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.901 -9.741 6.912 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.306 -8.947 5.386 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.635 -10.040 5.356 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.385 -9.113 4.520 1.00 0.00 H new ATOM 811 N GLY A 52 0.156 -12.354 3.498 1.00 0.00 N ATOM 812 CA GLY A 52 -0.365 -11.745 2.283 1.00 0.00 C ATOM 813 C GLY A 52 -0.854 -10.301 2.415 1.00 0.00 C ATOM 814 O GLY A 52 -1.668 -9.907 1.598 1.00 0.00 O ATOM 0 H GLY A 52 -0.519 -12.947 3.981 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.414 -11.776 1.521 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.191 -12.356 1.919 1.00 0.00 H new ATOM 818 N PHE A 53 -0.429 -9.475 3.375 1.00 0.00 N ATOM 819 CA PHE A 53 -0.927 -8.102 3.521 1.00 0.00 C ATOM 820 C PHE A 53 0.257 -7.163 3.798 1.00 0.00 C ATOM 821 O PHE A 53 1.290 -7.590 4.315 1.00 0.00 O ATOM 822 CB PHE A 53 -2.008 -8.065 4.599 1.00 0.00 C ATOM 823 CG PHE A 53 -1.525 -8.375 6.003 1.00 0.00 C ATOM 824 CD1 PHE A 53 -1.508 -9.693 6.508 1.00 0.00 C ATOM 825 CD2 PHE A 53 -1.090 -7.318 6.822 1.00 0.00 C ATOM 826 CE1 PHE A 53 -1.050 -9.934 7.817 1.00 0.00 C ATOM 827 CE2 PHE A 53 -0.678 -7.561 8.137 1.00 0.00 C ATOM 828 CZ PHE A 53 -0.625 -8.867 8.627 1.00 0.00 C ATOM 0 H PHE A 53 0.268 -9.737 4.072 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.397 -7.752 2.602 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -2.466 -7.076 4.599 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.789 -8.778 4.334 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.845 -10.514 5.892 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.074 -6.311 6.433 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.025 -10.943 8.201 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -0.400 -6.735 8.775 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.259 -9.057 9.625 1.00 0.00 H new ATOM 838 N ALA A 54 0.167 -5.903 3.412 1.00 0.00 N ATOM 839 CA ALA A 54 1.213 -4.882 3.524 1.00 0.00 C ATOM 840 C ALA A 54 0.579 -3.490 3.558 1.00 0.00 C ATOM 841 O ALA A 54 -0.616 -3.327 3.295 1.00 0.00 O ATOM 842 CB ALA A 54 2.167 -4.966 2.322 1.00 0.00 C ATOM 0 H ALA A 54 -0.684 -5.536 2.986 1.00 0.00 H new ATOM 0 HA ALA A 54 1.771 -5.057 4.444 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.939 -4.203 2.417 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.632 -5.951 2.295 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.607 -4.803 1.401 1.00 0.00 H new ATOM 848 N PHE A 55 1.406 -2.477 3.800 1.00 0.00 N ATOM 849 CA PHE A 55 1.027 -1.080 3.717 1.00 0.00 C ATOM 850 C PHE A 55 2.088 -0.372 2.878 1.00 0.00 C ATOM 851 O PHE A 55 3.270 -0.722 2.930 1.00 0.00 O ATOM 852 CB PHE A 55 0.896 -0.513 5.141 1.00 0.00 C ATOM 853 CG PHE A 55 1.039 0.992 5.259 1.00 0.00 C ATOM 854 CD1 PHE A 55 0.193 1.857 4.538 1.00 0.00 C ATOM 855 CD2 PHE A 55 2.061 1.534 6.058 1.00 0.00 C ATOM 856 CE1 PHE A 55 0.372 3.250 4.599 1.00 0.00 C ATOM 857 CE2 PHE A 55 2.230 2.924 6.135 1.00 0.00 C ATOM 858 CZ PHE A 55 1.379 3.779 5.420 1.00 0.00 C ATOM 0 H PHE A 55 2.381 -2.614 4.065 1.00 0.00 H new ATOM 0 HA PHE A 55 0.060 -0.934 3.236 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -0.077 -0.801 5.540 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.651 -0.983 5.772 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.601 1.446 3.932 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.717 0.879 6.613 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.260 3.907 4.019 1.00 0.00 H new ATOM 0 HE2 PHE A 55 3.018 3.337 6.747 1.00 0.00 H new ATOM 0 HZ PHE A 55 1.499 4.849 5.502 1.00 0.00 H new ATOM 868 N VAL A 56 1.652 0.589 2.069 1.00 0.00 N ATOM 869 CA VAL A 56 2.491 1.415 1.227 1.00 0.00 C ATOM 870 C VAL A 56 1.885 2.818 1.329 1.00 0.00 C ATOM 871 O VAL A 56 0.658 2.975 1.280 1.00 0.00 O ATOM 872 CB VAL A 56 2.506 0.853 -0.214 1.00 0.00 C ATOM 873 CG1 VAL A 56 3.442 1.648 -1.132 1.00 0.00 C ATOM 874 CG2 VAL A 56 2.953 -0.619 -0.306 1.00 0.00 C ATOM 0 H VAL A 56 0.662 0.818 1.984 1.00 0.00 H new ATOM 0 HA VAL A 56 3.537 1.434 1.534 1.00 0.00 H new ATOM 0 HB VAL A 56 1.467 0.938 -0.533 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.421 1.218 -2.133 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.113 2.686 -1.176 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.458 1.605 -0.740 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.937 -0.940 -1.348 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.964 -0.718 0.089 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.274 -1.242 0.276 1.00 0.00 H new ATOM 884 N THR A 57 2.740 3.816 1.522 1.00 0.00 N ATOM 885 CA THR A 57 2.378 5.229 1.500 1.00 0.00 C ATOM 886 C THR A 57 2.591 5.755 0.067 1.00 0.00 C ATOM 887 O THR A 57 3.058 5.001 -0.791 1.00 0.00 O ATOM 888 CB THR A 57 3.208 5.969 2.571 1.00 0.00 C ATOM 889 OG1 THR A 57 3.401 5.161 3.715 1.00 0.00 O ATOM 890 CG2 THR A 57 2.480 7.215 3.069 1.00 0.00 C ATOM 0 H THR A 57 3.732 3.660 1.703 1.00 0.00 H new ATOM 0 HA THR A 57 1.331 5.397 1.750 1.00 0.00 H new ATOM 0 HB THR A 57 4.155 6.222 2.095 1.00 0.00 H new ATOM 0 HG1 THR A 57 2.564 4.702 3.936 1.00 0.00 H new ATOM 0 HG21 THR A 57 3.089 7.715 3.822 1.00 0.00 H new ATOM 0 HG22 THR A 57 2.306 7.893 2.234 1.00 0.00 H new ATOM 0 HG23 THR A 57 1.524 6.927 3.507 1.00 0.00 H new ATOM 898 N PHE A 58 2.368 7.040 -0.214 1.00 0.00 N ATOM 899 CA PHE A 58 2.916 7.740 -1.370 1.00 0.00 C ATOM 900 C PHE A 58 3.188 9.194 -0.979 1.00 0.00 C ATOM 901 O PHE A 58 2.466 9.763 -0.147 1.00 0.00 O ATOM 902 CB PHE A 58 1.968 7.687 -2.572 1.00 0.00 C ATOM 903 CG PHE A 58 1.750 6.318 -3.201 1.00 0.00 C ATOM 904 CD1 PHE A 58 0.783 5.446 -2.669 1.00 0.00 C ATOM 905 CD2 PHE A 58 2.502 5.910 -4.324 1.00 0.00 C ATOM 906 CE1 PHE A 58 0.565 4.190 -3.249 1.00 0.00 C ATOM 907 CE2 PHE A 58 2.274 4.651 -4.915 1.00 0.00 C ATOM 908 CZ PHE A 58 1.290 3.802 -4.385 1.00 0.00 C ATOM 0 H PHE A 58 1.785 7.636 0.374 1.00 0.00 H new ATOM 0 HA PHE A 58 3.841 7.247 -1.668 1.00 0.00 H new ATOM 0 HB2 PHE A 58 0.999 8.078 -2.261 1.00 0.00 H new ATOM 0 HB3 PHE A 58 2.352 8.359 -3.340 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.205 5.747 -1.808 1.00 0.00 H new ATOM 0 HD2 PHE A 58 3.256 6.566 -4.732 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.164 3.518 -2.820 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.854 4.341 -5.772 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.091 2.849 -4.852 1.00 0.00 H new ATOM 918 N GLU A 59 4.218 9.796 -1.579 1.00 0.00 N ATOM 919 CA GLU A 59 4.610 11.179 -1.392 1.00 0.00 C ATOM 920 C GLU A 59 3.502 12.138 -1.826 1.00 0.00 C ATOM 921 O GLU A 59 3.256 13.122 -1.117 1.00 0.00 O ATOM 922 CB GLU A 59 5.891 11.448 -2.185 1.00 0.00 C ATOM 923 CG GLU A 59 6.577 12.745 -1.739 1.00 0.00 C ATOM 924 CD GLU A 59 7.686 13.169 -2.700 1.00 0.00 C ATOM 925 OE1 GLU A 59 8.659 12.411 -2.891 1.00 0.00 O ATOM 926 OE2 GLU A 59 7.577 14.287 -3.263 1.00 0.00 O ATOM 0 H GLU A 59 4.823 9.303 -2.236 1.00 0.00 H new ATOM 0 HA GLU A 59 4.790 11.351 -0.331 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.579 10.612 -2.059 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.655 11.509 -3.247 1.00 0.00 H new ATOM 0 HG2 GLU A 59 5.836 13.541 -1.668 1.00 0.00 H new ATOM 0 HG3 GLU A 59 6.995 12.609 -0.741 1.00 0.00 H new ATOM 933 N SER A 60 2.806 11.861 -2.934 1.00 0.00 N ATOM 934 CA SER A 60 1.667 12.650 -3.386 1.00 0.00 C ATOM 935 C SER A 60 0.354 11.906 -3.109 1.00 0.00 C ATOM 936 O SER A 60 0.302 10.676 -3.178 1.00 0.00 O ATOM 937 CB SER A 60 1.814 12.964 -4.876 1.00 0.00 C ATOM 938 OG SER A 60 1.918 14.353 -5.082 1.00 0.00 O ATOM 0 H SER A 60 3.024 11.074 -3.545 1.00 0.00 H new ATOM 0 HA SER A 60 1.642 13.589 -2.833 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.698 12.465 -5.273 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.955 12.573 -5.422 1.00 0.00 H new ATOM 0 HG SER A 60 2.013 14.535 -6.040 1.00 0.00 H new ATOM 944 N PRO A 61 -0.738 12.628 -2.803 1.00 0.00 N ATOM 945 CA PRO A 61 -1.997 11.999 -2.443 1.00 0.00 C ATOM 946 C PRO A 61 -2.686 11.361 -3.652 1.00 0.00 C ATOM 947 O PRO A 61 -3.397 10.366 -3.474 1.00 0.00 O ATOM 948 CB PRO A 61 -2.833 13.118 -1.820 1.00 0.00 C ATOM 949 CG PRO A 61 -2.302 14.389 -2.482 1.00 0.00 C ATOM 950 CD PRO A 61 -0.817 14.072 -2.644 1.00 0.00 C ATOM 0 HA PRO A 61 -1.853 11.173 -1.747 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.896 12.979 -2.018 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -2.712 13.151 -0.737 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.784 14.581 -3.440 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -2.465 15.270 -1.861 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -0.399 14.585 -3.510 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -0.249 14.402 -1.774 1.00 0.00 H new ATOM 958 N ALA A 62 -2.501 11.917 -4.857 1.00 0.00 N ATOM 959 CA ALA A 62 -3.116 11.394 -6.072 1.00 0.00 C ATOM 960 C ALA A 62 -2.429 10.127 -6.575 1.00 0.00 C ATOM 961 O ALA A 62 -3.093 9.295 -7.187 1.00 0.00 O ATOM 962 CB ALA A 62 -3.111 12.460 -7.164 1.00 0.00 C ATOM 0 H ALA A 62 -1.920 12.741 -5.011 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.143 11.127 -5.823 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.572 12.059 -8.066 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.673 13.330 -6.825 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.084 12.753 -7.381 1.00 0.00 H new ATOM 968 N ASP A 63 -1.149 9.938 -6.249 1.00 0.00 N ATOM 969 CA ASP A 63 -0.394 8.717 -6.527 1.00 0.00 C ATOM 970 C ASP A 63 -1.153 7.537 -5.929 1.00 0.00 C ATOM 971 O ASP A 63 -1.412 6.533 -6.588 1.00 0.00 O ATOM 972 CB ASP A 63 0.982 8.736 -5.833 1.00 0.00 C ATOM 973 CG ASP A 63 1.906 9.909 -6.095 1.00 0.00 C ATOM 974 OD1 ASP A 63 1.591 10.736 -6.972 1.00 0.00 O ATOM 975 OD2 ASP A 63 2.949 9.988 -5.408 1.00 0.00 O ATOM 0 H ASP A 63 -0.595 10.649 -5.772 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.267 8.640 -7.607 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.812 8.681 -4.758 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.511 7.827 -6.119 1.00 0.00 H new ATOM 980 N ALA A 64 -1.541 7.693 -4.658 1.00 0.00 N ATOM 981 CA ALA A 64 -2.243 6.679 -3.897 1.00 0.00 C ATOM 982 C ALA A 64 -3.623 6.434 -4.501 1.00 0.00 C ATOM 983 O ALA A 64 -4.090 5.298 -4.534 1.00 0.00 O ATOM 984 CB ALA A 64 -2.338 7.135 -2.437 1.00 0.00 C ATOM 0 H ALA A 64 -1.368 8.548 -4.129 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.699 5.735 -3.933 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.865 6.380 -1.853 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.335 7.272 -2.033 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.882 8.078 -2.385 1.00 0.00 H new ATOM 990 N LYS A 65 -4.285 7.486 -4.988 1.00 0.00 N ATOM 991 CA LYS A 65 -5.573 7.338 -5.647 1.00 0.00 C ATOM 992 C LYS A 65 -5.419 6.545 -6.939 1.00 0.00 C ATOM 993 O LYS A 65 -6.234 5.657 -7.138 1.00 0.00 O ATOM 994 CB LYS A 65 -6.237 8.699 -5.880 1.00 0.00 C ATOM 995 CG LYS A 65 -6.749 9.303 -4.564 1.00 0.00 C ATOM 996 CD LYS A 65 -7.364 10.699 -4.743 1.00 0.00 C ATOM 997 CE LYS A 65 -8.645 10.732 -5.588 1.00 0.00 C ATOM 998 NZ LYS A 65 -9.748 9.941 -5.005 1.00 0.00 N ATOM 0 H LYS A 65 -3.946 8.447 -4.936 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.237 6.775 -4.991 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.522 9.380 -6.342 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -7.067 8.587 -6.578 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -7.495 8.636 -4.131 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.925 9.364 -3.854 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -7.583 11.113 -3.759 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -6.623 11.351 -5.205 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.970 11.766 -5.703 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -8.424 10.354 -6.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -10.589 10.017 -5.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -9.461 8.944 -4.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -9.972 10.304 -4.057 1.00 0.00 H new ATOM 1012 N ASP A 66 -4.426 6.814 -7.793 1.00 0.00 N ATOM 1013 CA ASP A 66 -4.298 6.075 -9.057 1.00 0.00 C ATOM 1014 C ASP A 66 -3.889 4.635 -8.791 1.00 0.00 C ATOM 1015 O ASP A 66 -4.399 3.715 -9.428 1.00 0.00 O ATOM 1016 CB ASP A 66 -3.269 6.682 -10.018 1.00 0.00 C ATOM 1017 CG ASP A 66 -3.823 6.690 -11.443 1.00 0.00 C ATOM 1018 OD1 ASP A 66 -4.538 7.663 -11.767 1.00 0.00 O ATOM 1019 OD2 ASP A 66 -3.582 5.757 -12.244 1.00 0.00 O ATOM 0 H ASP A 66 -3.710 7.524 -7.638 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.280 6.131 -9.527 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.026 7.698 -9.708 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.343 6.108 -9.982 1.00 0.00 H new ATOM 1024 N ALA A 67 -2.996 4.418 -7.820 1.00 0.00 N ATOM 1025 CA ALA A 67 -2.610 3.084 -7.393 1.00 0.00 C ATOM 1026 C ALA A 67 -3.857 2.301 -6.955 1.00 0.00 C ATOM 1027 O ALA A 67 -4.065 1.167 -7.396 1.00 0.00 O ATOM 1028 CB ALA A 67 -1.557 3.177 -6.283 1.00 0.00 C ATOM 0 H ALA A 67 -2.525 5.167 -7.313 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.157 2.540 -8.222 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -1.272 2.174 -5.967 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -0.679 3.703 -6.658 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.971 3.721 -5.434 1.00 0.00 H new ATOM 1034 N ALA A 68 -4.721 2.921 -6.148 1.00 0.00 N ATOM 1035 CA ALA A 68 -6.011 2.373 -5.754 1.00 0.00 C ATOM 1036 C ALA A 68 -7.024 2.282 -6.908 1.00 0.00 C ATOM 1037 O ALA A 68 -8.111 1.754 -6.679 1.00 0.00 O ATOM 1038 CB ALA A 68 -6.578 3.207 -4.598 1.00 0.00 C ATOM 0 H ALA A 68 -4.534 3.839 -5.744 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.841 1.345 -5.435 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.544 2.802 -4.297 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.891 3.172 -3.753 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -6.702 4.240 -4.922 1.00 0.00 H new ATOM 1044 N ARG A 69 -6.726 2.765 -8.122 1.00 0.00 N ATOM 1045 CA ARG A 69 -7.693 2.865 -9.221 1.00 0.00 C ATOM 1046 C ARG A 69 -7.259 2.149 -10.496 1.00 0.00 C ATOM 1047 O ARG A 69 -8.095 1.981 -11.383 1.00 0.00 O ATOM 1048 CB ARG A 69 -7.958 4.344 -9.527 1.00 0.00 C ATOM 1049 CG ARG A 69 -8.803 5.065 -8.471 1.00 0.00 C ATOM 1050 CD ARG A 69 -10.289 4.776 -8.657 1.00 0.00 C ATOM 1051 NE ARG A 69 -11.037 5.947 -9.142 1.00 0.00 N ATOM 1052 CZ ARG A 69 -12.366 6.071 -9.115 1.00 0.00 C ATOM 1053 NH1 ARG A 69 -13.121 5.050 -8.735 1.00 0.00 N ATOM 1054 NH2 ARG A 69 -12.950 7.212 -9.452 1.00 0.00 N ATOM 0 H ARG A 69 -5.795 3.101 -8.370 1.00 0.00 H new ATOM 0 HA ARG A 69 -8.600 2.363 -8.884 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -7.003 4.860 -9.625 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -8.461 4.419 -10.491 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -8.491 4.750 -7.475 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -8.629 6.139 -8.534 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -10.410 3.954 -9.363 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -10.713 4.446 -7.708 1.00 0.00 H new ATOM 0 HE ARG A 69 -10.499 6.723 -9.528 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -12.687 4.168 -8.463 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -14.136 5.146 -8.715 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -12.383 8.010 -9.737 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -13.967 7.292 -9.426 1.00 0.00 H new ATOM 1068 N ASP A 70 -6.008 1.699 -10.614 1.00 0.00 N ATOM 1069 CA ASP A 70 -5.530 0.965 -11.788 1.00 0.00 C ATOM 1070 C ASP A 70 -5.330 -0.504 -11.419 1.00 0.00 C ATOM 1071 O ASP A 70 -6.275 -1.286 -11.551 1.00 0.00 O ATOM 1072 CB ASP A 70 -4.274 1.618 -12.379 1.00 0.00 C ATOM 1073 CG ASP A 70 -3.808 0.834 -13.608 1.00 0.00 C ATOM 1074 OD1 ASP A 70 -4.417 1.010 -14.690 1.00 0.00 O ATOM 1075 OD2 ASP A 70 -2.867 0.020 -13.487 1.00 0.00 O ATOM 0 H ASP A 70 -5.296 1.834 -9.896 1.00 0.00 H new ATOM 0 HA ASP A 70 -6.279 1.007 -12.579 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.486 2.651 -12.655 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -3.481 1.644 -11.631 1.00 0.00 H new ATOM 1080 N MET A 71 -4.170 -0.877 -10.867 1.00 0.00 N ATOM 1081 CA MET A 71 -3.814 -2.267 -10.570 1.00 0.00 C ATOM 1082 C MET A 71 -4.562 -2.854 -9.363 1.00 0.00 C ATOM 1083 O MET A 71 -4.414 -4.040 -9.067 1.00 0.00 O ATOM 1084 CB MET A 71 -2.298 -2.408 -10.346 1.00 0.00 C ATOM 1085 CG MET A 71 -1.686 -3.522 -11.198 1.00 0.00 C ATOM 1086 SD MET A 71 -0.291 -4.397 -10.438 1.00 0.00 S ATOM 1087 CE MET A 71 -1.149 -5.132 -9.019 1.00 0.00 C ATOM 0 H MET A 71 -3.442 -0.211 -10.611 1.00 0.00 H new ATOM 0 HA MET A 71 -4.121 -2.838 -11.446 1.00 0.00 H new ATOM 0 HB2 MET A 71 -1.809 -1.463 -10.582 1.00 0.00 H new ATOM 0 HB3 MET A 71 -2.106 -2.612 -9.293 1.00 0.00 H new ATOM 0 HG2 MET A 71 -2.465 -4.248 -11.433 1.00 0.00 H new ATOM 0 HG3 MET A 71 -1.354 -3.094 -12.144 1.00 0.00 H new ATOM 0 HE1 MET A 71 -0.702 -6.098 -8.784 1.00 0.00 H new ATOM 0 HE2 MET A 71 -1.059 -4.471 -8.157 1.00 0.00 H new ATOM 0 HE3 MET A 71 -2.202 -5.270 -9.262 1.00 0.00 H new ATOM 1097 N ASN A 72 -5.372 -2.066 -8.650 1.00 0.00 N ATOM 1098 CA ASN A 72 -6.210 -2.576 -7.572 1.00 0.00 C ATOM 1099 C ASN A 72 -7.023 -3.792 -8.034 1.00 0.00 C ATOM 1100 O ASN A 72 -7.747 -3.729 -9.027 1.00 0.00 O ATOM 1101 CB ASN A 72 -7.109 -1.481 -6.987 1.00 0.00 C ATOM 1102 CG ASN A 72 -8.348 -1.182 -7.811 1.00 0.00 C ATOM 1103 OD1 ASN A 72 -9.453 -1.506 -7.393 1.00 0.00 O ATOM 1104 ND2 ASN A 72 -8.196 -0.609 -8.988 1.00 0.00 N ATOM 0 H ASN A 72 -5.462 -1.062 -8.806 1.00 0.00 H new ATOM 0 HA ASN A 72 -5.551 -2.907 -6.770 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -7.417 -1.778 -5.984 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -6.526 -0.566 -6.884 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -9.010 -0.425 -9.575 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -7.264 -0.349 -9.312 1.00 0.00 H new ATOM 1111 N GLY A 73 -6.873 -4.911 -7.323 1.00 0.00 N ATOM 1112 CA GLY A 73 -7.643 -6.126 -7.552 1.00 0.00 C ATOM 1113 C GLY A 73 -7.028 -7.070 -8.586 1.00 0.00 C ATOM 1114 O GLY A 73 -7.539 -8.181 -8.751 1.00 0.00 O ATOM 0 H GLY A 73 -6.201 -4.996 -6.560 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -7.750 -6.659 -6.607 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -8.646 -5.851 -7.878 1.00 0.00 H new ATOM 1118 N LYS A 74 -5.972 -6.671 -9.299 1.00 0.00 N ATOM 1119 CA LYS A 74 -5.333 -7.483 -10.322 1.00 0.00 C ATOM 1120 C LYS A 74 -4.458 -8.540 -9.688 1.00 0.00 C ATOM 1121 O LYS A 74 -4.316 -8.621 -8.465 1.00 0.00 O ATOM 1122 CB LYS A 74 -4.509 -6.572 -11.249 1.00 0.00 C ATOM 1123 CG LYS A 74 -5.394 -5.909 -12.300 1.00 0.00 C ATOM 1124 CD LYS A 74 -6.462 -4.945 -11.751 1.00 0.00 C ATOM 1125 CE LYS A 74 -7.316 -4.292 -12.827 1.00 0.00 C ATOM 1126 NZ LYS A 74 -8.331 -5.221 -13.353 1.00 0.00 N ATOM 0 H LYS A 74 -5.534 -5.758 -9.175 1.00 0.00 H new ATOM 0 HA LYS A 74 -6.096 -7.993 -10.910 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.006 -5.807 -10.658 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -3.732 -7.157 -11.741 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.757 -5.361 -12.994 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -5.894 -6.689 -12.874 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -7.112 -5.490 -11.067 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -5.969 -4.166 -11.170 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -7.807 -3.410 -12.416 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -6.677 -3.951 -13.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -8.894 -4.742 -14.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -7.861 -6.051 -13.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -8.956 -5.527 -12.580 1.00 0.00 H new ATOM 1140 N SER A 75 -3.864 -9.371 -10.533 1.00 0.00 N ATOM 1141 CA SER A 75 -2.784 -10.213 -10.080 1.00 0.00 C ATOM 1142 C SER A 75 -1.506 -9.397 -9.900 1.00 0.00 C ATOM 1143 O SER A 75 -1.376 -8.267 -10.380 1.00 0.00 O ATOM 1144 CB SER A 75 -2.672 -11.422 -11.008 1.00 0.00 C ATOM 1145 OG SER A 75 -2.013 -11.201 -12.238 1.00 0.00 O ATOM 0 H SER A 75 -4.111 -9.475 -11.517 1.00 0.00 H new ATOM 0 HA SER A 75 -2.984 -10.617 -9.087 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.148 -12.216 -10.476 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.677 -11.788 -11.218 1.00 0.00 H new ATOM 0 HG SER A 75 -1.994 -12.034 -12.753 1.00 0.00 H new ATOM 1151 N LEU A 76 -0.546 -10.002 -9.218 1.00 0.00 N ATOM 1152 CA LEU A 76 0.837 -9.594 -9.099 1.00 0.00 C ATOM 1153 C LEU A 76 1.580 -10.910 -8.970 1.00 0.00 C ATOM 1154 O LEU A 76 1.319 -11.662 -8.034 1.00 0.00 O ATOM 1155 CB LEU A 76 1.022 -8.696 -7.864 1.00 0.00 C ATOM 1156 CG LEU A 76 2.344 -7.900 -7.804 1.00 0.00 C ATOM 1157 CD1 LEU A 76 3.605 -8.772 -7.812 1.00 0.00 C ATOM 1158 CD2 LEU A 76 2.435 -6.869 -8.932 1.00 0.00 C ATOM 0 H LEU A 76 -0.733 -10.857 -8.694 1.00 0.00 H new ATOM 0 HA LEU A 76 1.198 -9.003 -9.941 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.193 -7.990 -7.824 1.00 0.00 H new ATOM 0 HB3 LEU A 76 0.954 -9.319 -6.972 1.00 0.00 H new ATOM 0 HG LEU A 76 2.312 -7.393 -6.840 1.00 0.00 H new ATOM 0 HD11 LEU A 76 4.488 -8.135 -7.768 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.593 -9.437 -6.948 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.631 -9.365 -8.726 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.379 -6.329 -8.856 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.384 -7.378 -9.895 1.00 0.00 H new ATOM 0 HD23 LEU A 76 1.607 -6.165 -8.849 1.00 0.00 H new ATOM 1170 N ASP A 77 2.408 -11.256 -9.953 1.00 0.00 N ATOM 1171 CA ASP A 77 3.100 -12.548 -10.014 1.00 0.00 C ATOM 1172 C ASP A 77 2.109 -13.715 -10.161 1.00 0.00 C ATOM 1173 O ASP A 77 2.394 -14.868 -9.832 1.00 0.00 O ATOM 1174 CB ASP A 77 4.042 -12.710 -8.803 1.00 0.00 C ATOM 1175 CG ASP A 77 5.288 -13.513 -9.135 1.00 0.00 C ATOM 1176 OD1 ASP A 77 5.841 -13.362 -10.250 1.00 0.00 O ATOM 1177 OD2 ASP A 77 5.843 -14.157 -8.222 1.00 0.00 O ATOM 0 H ASP A 77 2.622 -10.643 -10.740 1.00 0.00 H new ATOM 0 HA ASP A 77 3.720 -12.569 -10.910 1.00 0.00 H new ATOM 0 HB2 ASP A 77 4.335 -11.724 -8.441 1.00 0.00 H new ATOM 0 HB3 ASP A 77 3.504 -13.200 -7.992 1.00 0.00 H new ATOM 1182 N GLY A 78 0.901 -13.417 -10.647 1.00 0.00 N ATOM 1183 CA GLY A 78 -0.223 -14.338 -10.744 1.00 0.00 C ATOM 1184 C GLY A 78 -1.017 -14.446 -9.441 1.00 0.00 C ATOM 1185 O GLY A 78 -2.048 -15.111 -9.414 1.00 0.00 O ATOM 0 H GLY A 78 0.675 -12.486 -10.997 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.888 -14.009 -11.543 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.146 -15.325 -11.022 1.00 0.00 H new ATOM 1189 N LYS A 79 -0.594 -13.785 -8.359 1.00 0.00 N ATOM 1190 CA LYS A 79 -1.287 -13.778 -7.076 1.00 0.00 C ATOM 1191 C LYS A 79 -2.285 -12.637 -7.085 1.00 0.00 C ATOM 1192 O LYS A 79 -1.884 -11.489 -7.244 1.00 0.00 O ATOM 1193 CB LYS A 79 -0.281 -13.598 -5.930 1.00 0.00 C ATOM 1194 CG LYS A 79 0.818 -14.668 -5.863 1.00 0.00 C ATOM 1195 CD LYS A 79 0.212 -16.082 -5.848 1.00 0.00 C ATOM 1196 CE LYS A 79 1.115 -17.146 -5.222 1.00 0.00 C ATOM 1197 NZ LYS A 79 1.359 -16.884 -3.791 1.00 0.00 N ATOM 0 H LYS A 79 0.261 -13.228 -8.356 1.00 0.00 H new ATOM 0 HA LYS A 79 -1.804 -14.725 -6.923 1.00 0.00 H new ATOM 0 HB2 LYS A 79 0.190 -12.620 -6.029 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -0.825 -13.596 -4.985 1.00 0.00 H new ATOM 0 HG2 LYS A 79 1.485 -14.563 -6.719 1.00 0.00 H new ATOM 0 HG3 LYS A 79 1.422 -14.518 -4.968 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -0.731 -16.055 -5.302 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -0.021 -16.376 -6.871 1.00 0.00 H new ATOM 0 HE2 LYS A 79 0.655 -18.127 -5.339 1.00 0.00 H new ATOM 0 HE3 LYS A 79 2.066 -17.174 -5.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 1.421 -17.787 -3.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 2.251 -16.361 -3.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 0.577 -16.319 -3.403 1.00 0.00 H new ATOM 1211 N ALA A 80 -3.574 -12.936 -6.985 1.00 0.00 N ATOM 1212 CA ALA A 80 -4.634 -11.945 -6.908 1.00 0.00 C ATOM 1213 C ALA A 80 -4.431 -11.081 -5.663 1.00 0.00 C ATOM 1214 O ALA A 80 -4.521 -11.593 -4.546 1.00 0.00 O ATOM 1215 CB ALA A 80 -5.972 -12.676 -6.872 1.00 0.00 C ATOM 0 H ALA A 80 -3.917 -13.896 -6.955 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.617 -11.286 -7.776 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -6.782 -11.949 -6.814 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -6.085 -13.274 -7.777 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.007 -13.328 -6.000 1.00 0.00 H new ATOM 1221 N ILE A 81 -4.130 -9.795 -5.845 1.00 0.00 N ATOM 1222 CA ILE A 81 -3.953 -8.851 -4.748 1.00 0.00 C ATOM 1223 C ILE A 81 -5.258 -8.080 -4.505 1.00 0.00 C ATOM 1224 O ILE A 81 -6.210 -8.154 -5.286 1.00 0.00 O ATOM 1225 CB ILE A 81 -2.745 -7.919 -5.010 1.00 0.00 C ATOM 1226 CG1 ILE A 81 -2.996 -6.897 -6.143 1.00 0.00 C ATOM 1227 CG2 ILE A 81 -1.457 -8.702 -5.309 1.00 0.00 C ATOM 1228 CD1 ILE A 81 -3.013 -5.471 -5.612 1.00 0.00 C ATOM 0 H ILE A 81 -4.002 -9.378 -6.767 1.00 0.00 H new ATOM 0 HA ILE A 81 -3.724 -9.398 -3.834 1.00 0.00 H new ATOM 0 HB ILE A 81 -2.617 -7.366 -4.080 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -2.220 -6.995 -6.902 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -3.946 -7.117 -6.629 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -0.639 -8.003 -5.486 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -1.213 -9.339 -4.459 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -1.604 -9.320 -6.195 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -3.192 -4.779 -6.435 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -3.807 -5.368 -4.872 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -2.053 -5.244 -5.149 1.00 0.00 H new ATOM 1240 N LYS A 82 -5.282 -7.269 -3.446 1.00 0.00 N ATOM 1241 CA LYS A 82 -6.394 -6.396 -3.088 1.00 0.00 C ATOM 1242 C LYS A 82 -5.795 -5.085 -2.618 1.00 0.00 C ATOM 1243 O LYS A 82 -5.095 -5.127 -1.609 1.00 0.00 O ATOM 1244 CB LYS A 82 -7.217 -7.086 -1.979 1.00 0.00 C ATOM 1245 CG LYS A 82 -8.577 -6.392 -1.783 1.00 0.00 C ATOM 1246 CD LYS A 82 -9.527 -7.237 -0.922 1.00 0.00 C ATOM 1247 CE LYS A 82 -10.937 -6.629 -0.933 1.00 0.00 C ATOM 1248 NZ LYS A 82 -11.866 -7.371 -0.052 1.00 0.00 N ATOM 0 H LYS A 82 -4.500 -7.202 -2.794 1.00 0.00 H new ATOM 0 HA LYS A 82 -7.063 -6.202 -3.927 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -7.374 -8.133 -2.237 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -6.658 -7.068 -1.043 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -8.425 -5.421 -1.312 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -9.034 -6.207 -2.755 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -9.561 -8.259 -1.301 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -9.153 -7.288 0.101 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -10.886 -5.589 -0.612 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -11.325 -6.630 -1.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -12.807 -6.929 -0.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -11.935 -8.358 -0.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -11.510 -7.349 0.925 1.00 0.00 H new ATOM 1262 N VAL A 83 -5.988 -3.962 -3.312 1.00 0.00 N ATOM 1263 CA VAL A 83 -5.658 -2.637 -2.783 1.00 0.00 C ATOM 1264 C VAL A 83 -6.985 -2.039 -2.348 1.00 0.00 C ATOM 1265 O VAL A 83 -7.951 -2.148 -3.102 1.00 0.00 O ATOM 1266 CB VAL A 83 -5.024 -1.732 -3.860 1.00 0.00 C ATOM 1267 CG1 VAL A 83 -4.674 -0.344 -3.316 1.00 0.00 C ATOM 1268 CG2 VAL A 83 -3.781 -2.354 -4.494 1.00 0.00 C ATOM 0 H VAL A 83 -6.377 -3.945 -4.255 1.00 0.00 H new ATOM 0 HA VAL A 83 -4.935 -2.716 -1.971 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.787 -1.627 -4.631 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -4.231 0.257 -4.110 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.579 0.144 -2.954 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.963 -0.443 -2.496 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.376 -1.675 -5.244 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.031 -2.533 -3.724 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -4.048 -3.299 -4.967 1.00 0.00 H new ATOM 1278 N GLU A 84 -7.033 -1.390 -1.191 1.00 0.00 N ATOM 1279 CA GLU A 84 -8.129 -0.549 -0.749 1.00 0.00 C ATOM 1280 C GLU A 84 -7.526 0.703 -0.117 1.00 0.00 C ATOM 1281 O GLU A 84 -6.305 0.858 0.004 1.00 0.00 O ATOM 1282 CB GLU A 84 -8.993 -1.302 0.275 1.00 0.00 C ATOM 1283 CG GLU A 84 -9.750 -2.499 -0.303 1.00 0.00 C ATOM 1284 CD GLU A 84 -11.106 -2.077 -0.877 1.00 0.00 C ATOM 1285 OE1 GLU A 84 -11.212 -1.573 -2.019 1.00 0.00 O ATOM 1286 OE2 GLU A 84 -12.125 -2.241 -0.171 1.00 0.00 O ATOM 0 H GLU A 84 -6.276 -1.440 -0.510 1.00 0.00 H new ATOM 0 HA GLU A 84 -8.767 -0.278 -1.590 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -8.354 -1.648 1.088 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.712 -0.607 0.708 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -9.152 -2.967 -1.085 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -9.899 -3.247 0.475 1.00 0.00 H new ATOM 1293 N GLN A 85 -8.409 1.593 0.314 1.00 0.00 N ATOM 1294 CA GLN A 85 -8.074 2.817 0.994 1.00 0.00 C ATOM 1295 C GLN A 85 -8.577 2.642 2.412 1.00 0.00 C ATOM 1296 O GLN A 85 -9.789 2.640 2.648 1.00 0.00 O ATOM 1297 CB GLN A 85 -8.754 4.002 0.320 1.00 0.00 C ATOM 1298 CG GLN A 85 -8.318 4.241 -1.131 1.00 0.00 C ATOM 1299 CD GLN A 85 -9.181 5.357 -1.699 1.00 0.00 C ATOM 1300 OE1 GLN A 85 -9.943 5.174 -2.647 1.00 0.00 O ATOM 1301 NE2 GLN A 85 -9.123 6.523 -1.079 1.00 0.00 N ATOM 0 H GLN A 85 -9.414 1.469 0.190 1.00 0.00 H new ATOM 0 HA GLN A 85 -7.003 3.016 0.971 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -9.833 3.847 0.342 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.550 4.901 0.901 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -7.264 4.515 -1.173 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.435 3.331 -1.720 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -8.484 6.652 -0.295 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -9.718 7.293 -1.385 1.00 0.00 H new ATOM 1310 N ALA A 86 -7.653 2.466 3.350 1.00 0.00 N ATOM 1311 CA ALA A 86 -7.966 2.422 4.767 1.00 0.00 C ATOM 1312 C ALA A 86 -8.366 3.836 5.183 1.00 0.00 C ATOM 1313 O ALA A 86 -7.492 4.664 5.474 1.00 0.00 O ATOM 1314 CB ALA A 86 -6.764 1.897 5.553 1.00 0.00 C ATOM 0 H ALA A 86 -6.661 2.350 3.144 1.00 0.00 H new ATOM 0 HA ALA A 86 -8.789 1.740 4.978 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -7.008 1.868 6.615 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.515 0.893 5.210 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.910 2.556 5.395 1.00 0.00 H new ATOM 1320 N THR A 87 -9.667 4.124 5.139 1.00 0.00 N ATOM 1321 CA THR A 87 -10.209 5.439 5.430 1.00 0.00 C ATOM 1322 C THR A 87 -11.539 5.339 6.179 1.00 0.00 C ATOM 1323 O THR A 87 -12.396 4.514 5.867 1.00 0.00 O ATOM 1324 CB THR A 87 -10.353 6.301 4.156 1.00 0.00 C ATOM 1325 OG1 THR A 87 -10.059 5.639 2.940 1.00 0.00 O ATOM 1326 CG2 THR A 87 -9.390 7.488 4.229 1.00 0.00 C ATOM 0 H THR A 87 -10.379 3.436 4.896 1.00 0.00 H new ATOM 0 HA THR A 87 -9.493 5.941 6.081 1.00 0.00 H new ATOM 0 HB THR A 87 -11.406 6.584 4.141 1.00 0.00 H new ATOM 0 HG1 THR A 87 -10.179 6.261 2.192 1.00 0.00 H new ATOM 0 HG21 THR A 87 -9.492 8.095 3.330 1.00 0.00 H new ATOM 0 HG22 THR A 87 -9.624 8.093 5.105 1.00 0.00 H new ATOM 0 HG23 THR A 87 -8.366 7.122 4.305 1.00 0.00 H new