USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 538 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 64 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN :FLIP amide:sc= -2.18! C(o=-4.3!,f=-2.2!) USER MOD Single : A 15 ASN : amide:sc= -0.192 K(o=-0.19,f=-5.5!) USER MOD Single : A 17 LYS NZ :NH3+ 145:sc= -3.01! (180deg=-5.45!) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 SER OG : rot 180:sc= -0.586! USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot 180:sc= -0.97 USER MOD Single : A 36 GLN : amide:sc= -0.0084 X(o=-0.0084,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -134:sc= -3.42! (180deg=-6.12!) USER MOD Single : A 43 THR OG1 : rot -77:sc= -4.31! USER MOD Single : A 44 LYS NZ :NH3+ 154:sc= -1.55! (180deg=-2.24!) USER MOD Single : A 47 LYS NZ :NH3+ -165:sc=-0.00377 (180deg=-0.128) USER MOD Single : A 50 CYS SG : rot 176:sc= -0.842 USER MOD Single : A 54 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.115) USER MOD Single : A 55 LYS NZ :NH3+ 162:sc= -1.22 (180deg=-1.81) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot -136:sc= 0.419! USER MOD Single : A 62 MET CE :methyl -148:sc= -0.924 (180deg=-1.13) USER MOD Single : A 63 LYS NZ :NH3+ -152:sc= -0.242 (180deg=-1.4!) USER MOD Single : A 67 GLN : amide:sc= -0.102 X(o=-0.1,f=-0.1) USER MOD Single : A 69 SER OG : rot -23:sc= 0.768 USER MOD ----------------------------------------------------------------- ATOM 143 N ASN A 12 -6.757 -2.148 5.999 1.00 0.00 N ATOM 144 CA ASN A 12 -7.683 -1.263 5.294 1.00 0.00 C ATOM 145 C ASN A 12 -6.923 -0.135 4.604 1.00 0.00 C ATOM 146 O ASN A 12 -6.365 -0.328 3.526 1.00 0.00 O ATOM 147 CB ASN A 12 -8.703 -0.682 6.276 1.00 0.00 C ATOM 148 CG ASN A 12 -8.007 -0.264 7.567 1.00 0.00 C ATOM 149 OD1 ASN A 12 -8.279 0.895 8.100 1.00 0.00 O flip ATOM 150 ND2 ASN A 12 -7.192 -1.015 8.104 1.00 0.00 N flip ATOM 0 HA ASN A 12 -8.208 -1.843 4.536 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -9.202 0.177 5.828 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -9.474 -1.422 6.492 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -6.981 -1.921 7.686 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -6.728 -0.731 8.967 1.00 0.00 H new ATOM 157 N LEU A 13 -6.907 1.043 5.232 1.00 0.00 N ATOM 158 CA LEU A 13 -6.214 2.211 4.674 1.00 0.00 C ATOM 159 C LEU A 13 -5.119 2.682 5.630 1.00 0.00 C ATOM 160 O LEU A 13 -4.564 1.888 6.389 1.00 0.00 O ATOM 161 CB LEU A 13 -7.212 3.350 4.436 1.00 0.00 C ATOM 162 CG LEU A 13 -8.463 2.812 3.731 1.00 0.00 C ATOM 163 CD1 LEU A 13 -9.489 3.937 3.581 1.00 0.00 C ATOM 164 CD2 LEU A 13 -8.085 2.283 2.343 1.00 0.00 C ATOM 0 H LEU A 13 -7.365 1.215 6.127 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.760 1.926 3.725 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.488 3.807 5.386 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.750 4.129 3.830 1.00 0.00 H new ATOM 0 HG LEU A 13 -8.890 2.004 4.324 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -10.378 3.554 3.080 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.762 4.314 4.567 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.059 4.745 2.990 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -8.976 1.901 1.844 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.655 3.091 1.750 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.355 1.480 2.446 1.00 0.00 H new ATOM 176 N ALA A 14 -4.812 3.978 5.587 1.00 0.00 N ATOM 177 CA ALA A 14 -3.778 4.543 6.456 1.00 0.00 C ATOM 178 C ALA A 14 -4.067 6.012 6.749 1.00 0.00 C ATOM 179 O ALA A 14 -4.694 6.705 5.948 1.00 0.00 O ATOM 180 CB ALA A 14 -2.407 4.417 5.790 1.00 0.00 C ATOM 0 H ALA A 14 -5.259 4.652 4.966 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.779 3.988 7.394 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.645 4.840 6.444 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -2.186 3.365 5.608 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.412 4.956 4.843 1.00 0.00 H new ATOM 186 N ASN A 15 -3.604 6.481 7.906 1.00 0.00 N ATOM 187 CA ASN A 15 -3.813 7.872 8.309 1.00 0.00 C ATOM 188 C ASN A 15 -2.639 8.743 7.871 1.00 0.00 C ATOM 189 O ASN A 15 -1.727 8.279 7.189 1.00 0.00 O ATOM 190 CB ASN A 15 -3.964 7.952 9.830 1.00 0.00 C ATOM 191 CG ASN A 15 -2.828 7.194 10.507 1.00 0.00 C ATOM 192 OD1 ASN A 15 -1.856 6.817 9.853 1.00 0.00 O ATOM 193 ND2 ASN A 15 -2.892 6.948 11.787 1.00 0.00 N ATOM 0 H ASN A 15 -3.083 5.921 8.580 1.00 0.00 H new ATOM 0 HA ASN A 15 -4.720 8.237 7.828 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -3.958 8.994 10.150 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.923 7.531 10.131 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -2.135 6.442 12.248 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -3.699 7.262 12.327 1.00 0.00 H new ATOM 200 N ARG A 16 -2.673 10.012 8.272 1.00 0.00 N ATOM 201 CA ARG A 16 -1.610 10.949 7.922 1.00 0.00 C ATOM 202 C ARG A 16 -1.212 10.797 6.456 1.00 0.00 C ATOM 203 O ARG A 16 -2.071 10.764 5.575 1.00 0.00 O ATOM 204 CB ARG A 16 -0.395 10.719 8.826 1.00 0.00 C ATOM 205 CG ARG A 16 -0.856 10.645 10.290 1.00 0.00 C ATOM 206 CD ARG A 16 0.329 10.909 11.223 1.00 0.00 C ATOM 207 NE ARG A 16 -0.051 10.648 12.607 1.00 0.00 N ATOM 208 CZ ARG A 16 -0.222 9.407 13.049 1.00 0.00 C ATOM 209 NH1 ARG A 16 -0.050 8.396 12.240 1.00 0.00 N ATOM 210 NH2 ARG A 16 -0.562 9.197 14.291 1.00 0.00 N ATOM 0 H ARG A 16 -3.422 10.413 8.837 1.00 0.00 H new ATOM 0 HA ARG A 16 -1.980 11.963 8.070 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.111 9.796 8.545 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.324 11.528 8.700 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.642 11.378 10.470 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.282 9.663 10.497 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.170 10.274 10.943 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.661 11.942 11.118 1.00 0.00 H new ATOM 0 HE ARG A 16 -0.188 11.431 13.246 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.216 8.559 11.269 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -0.181 7.443 12.579 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -0.697 9.986 14.923 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -0.693 8.244 14.630 1.00 0.00 H new ATOM 224 N LYS A 17 0.091 10.714 6.193 1.00 0.00 N ATOM 225 CA LYS A 17 0.570 10.576 4.820 1.00 0.00 C ATOM 226 C LYS A 17 1.969 9.971 4.776 1.00 0.00 C ATOM 227 O LYS A 17 2.834 10.315 5.582 1.00 0.00 O ATOM 228 CB LYS A 17 0.592 11.944 4.138 1.00 0.00 C ATOM 229 CG LYS A 17 1.349 12.942 5.018 1.00 0.00 C ATOM 230 CD LYS A 17 1.366 14.321 4.342 1.00 0.00 C ATOM 231 CE LYS A 17 2.234 14.291 3.071 1.00 0.00 C ATOM 232 NZ LYS A 17 1.402 13.867 1.910 1.00 0.00 N ATOM 0 H LYS A 17 0.824 10.739 6.902 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.112 9.907 4.295 1.00 0.00 H new ATOM 0 HB2 LYS A 17 1.071 11.868 3.162 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -0.426 12.293 3.967 1.00 0.00 H new ATOM 0 HG2 LYS A 17 0.874 13.012 5.996 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.369 12.595 5.183 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.349 14.620 4.087 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.753 15.067 5.036 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.660 15.277 2.886 1.00 0.00 H new ATOM 0 HE3 LYS A 17 3.069 13.603 3.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.716 14.370 1.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.504 12.842 1.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 0.404 14.093 2.097 1.00 0.00 H new ATOM 246 N ILE A 18 2.185 9.075 3.819 1.00 0.00 N ATOM 247 CA ILE A 18 3.480 8.427 3.660 1.00 0.00 C ATOM 248 C ILE A 18 4.492 9.444 3.095 1.00 0.00 C ATOM 249 O ILE A 18 4.171 10.146 2.136 1.00 0.00 O ATOM 250 CB ILE A 18 3.322 7.228 2.695 1.00 0.00 C ATOM 251 CG1 ILE A 18 2.750 6.015 3.461 1.00 0.00 C ATOM 252 CG2 ILE A 18 4.657 6.847 2.030 1.00 0.00 C ATOM 253 CD1 ILE A 18 3.839 5.292 4.273 1.00 0.00 C ATOM 0 H ILE A 18 1.480 8.782 3.143 1.00 0.00 H new ATOM 0 HA ILE A 18 3.845 8.067 4.622 1.00 0.00 H new ATOM 0 HB ILE A 18 2.633 7.525 1.904 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.957 6.348 4.131 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.299 5.318 2.755 1.00 0.00 H new ATOM 0 HG21 ILE A 18 4.502 6.001 1.361 1.00 0.00 H new ATOM 0 HG22 ILE A 18 5.035 7.696 1.460 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.381 6.574 2.798 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.399 4.444 4.798 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.619 4.936 3.600 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.272 5.982 4.997 1.00 0.00 H new ATOM 265 N PRO A 19 5.693 9.553 3.638 1.00 0.00 N ATOM 266 CA PRO A 19 6.697 10.527 3.109 1.00 0.00 C ATOM 267 C PRO A 19 6.963 10.300 1.618 1.00 0.00 C ATOM 268 O PRO A 19 7.063 9.161 1.160 1.00 0.00 O ATOM 269 CB PRO A 19 7.956 10.280 3.971 1.00 0.00 C ATOM 270 CG PRO A 19 7.742 8.942 4.607 1.00 0.00 C ATOM 271 CD PRO A 19 6.239 8.797 4.783 1.00 0.00 C ATOM 0 HA PRO A 19 6.356 11.560 3.176 1.00 0.00 H new ATOM 0 HB2 PRO A 19 8.859 10.285 3.360 1.00 0.00 H new ATOM 0 HB3 PRO A 19 8.076 11.059 4.724 1.00 0.00 H new ATOM 0 HG2 PRO A 19 8.140 8.144 3.980 1.00 0.00 H new ATOM 0 HG3 PRO A 19 8.255 8.880 5.567 1.00 0.00 H new ATOM 0 HD2 PRO A 19 5.930 7.752 4.761 1.00 0.00 H new ATOM 0 HD3 PRO A 19 5.903 9.209 5.735 1.00 0.00 H new ATOM 279 N LEU A 20 7.051 11.393 0.865 1.00 0.00 N ATOM 280 CA LEU A 20 7.276 11.312 -0.577 1.00 0.00 C ATOM 281 C LEU A 20 8.699 10.837 -0.900 1.00 0.00 C ATOM 282 O LEU A 20 8.949 10.300 -1.979 1.00 0.00 O ATOM 283 CB LEU A 20 7.018 12.692 -1.222 1.00 0.00 C ATOM 284 CG LEU A 20 5.550 12.804 -1.652 1.00 0.00 C ATOM 285 CD1 LEU A 20 4.643 12.621 -0.437 1.00 0.00 C ATOM 286 CD2 LEU A 20 5.299 14.179 -2.276 1.00 0.00 C ATOM 0 H LEU A 20 6.970 12.343 1.227 1.00 0.00 H new ATOM 0 HA LEU A 20 6.581 10.580 -0.988 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.259 13.484 -0.514 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.670 12.827 -2.085 1.00 0.00 H new ATOM 0 HG LEU A 20 5.331 12.029 -2.386 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.601 12.701 -0.746 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.817 11.639 0.002 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.863 13.392 0.301 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.255 14.255 -2.580 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.522 14.956 -1.545 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.941 14.306 -3.147 1.00 0.00 H new ATOM 298 N GLN A 21 9.627 11.060 0.021 1.00 0.00 N ATOM 299 CA GLN A 21 11.022 10.673 -0.199 1.00 0.00 C ATOM 300 C GLN A 21 11.204 9.151 -0.233 1.00 0.00 C ATOM 301 O GLN A 21 11.962 8.632 -1.052 1.00 0.00 O ATOM 302 CB GLN A 21 11.909 11.274 0.899 1.00 0.00 C ATOM 303 CG GLN A 21 11.240 11.094 2.263 1.00 0.00 C ATOM 304 CD GLN A 21 12.211 11.485 3.373 1.00 0.00 C ATOM 305 OE1 GLN A 21 13.006 10.659 3.821 1.00 0.00 O ATOM 306 NE2 GLN A 21 12.192 12.701 3.845 1.00 0.00 N ATOM 0 H GLN A 21 9.446 11.503 0.922 1.00 0.00 H new ATOM 0 HA GLN A 21 11.317 11.062 -1.174 1.00 0.00 H new ATOM 0 HB2 GLN A 21 12.885 10.790 0.896 1.00 0.00 H new ATOM 0 HB3 GLN A 21 12.078 12.333 0.704 1.00 0.00 H new ATOM 0 HG2 GLN A 21 10.341 11.708 2.321 1.00 0.00 H new ATOM 0 HG3 GLN A 21 10.927 10.058 2.390 1.00 0.00 H new ATOM 0 HE21 GLN A 21 11.532 13.383 3.471 1.00 0.00 H new ATOM 0 HE22 GLN A 21 12.837 12.970 4.588 1.00 0.00 H new ATOM 315 N ARG A 22 10.527 8.441 0.665 1.00 0.00 N ATOM 316 CA ARG A 22 10.649 6.981 0.733 1.00 0.00 C ATOM 317 C ARG A 22 9.671 6.297 -0.220 1.00 0.00 C ATOM 318 O ARG A 22 9.846 5.132 -0.576 1.00 0.00 O ATOM 319 CB ARG A 22 10.383 6.521 2.172 1.00 0.00 C ATOM 320 CG ARG A 22 11.506 7.037 3.107 1.00 0.00 C ATOM 321 CD ARG A 22 10.930 7.421 4.478 1.00 0.00 C ATOM 322 NE ARG A 22 11.976 7.377 5.494 1.00 0.00 N ATOM 323 CZ ARG A 22 12.494 6.222 5.897 1.00 0.00 C ATOM 324 NH1 ARG A 22 12.068 5.100 5.383 1.00 0.00 N ATOM 325 NH2 ARG A 22 13.429 6.208 6.807 1.00 0.00 N ATOM 0 H ARG A 22 9.892 8.846 1.353 1.00 0.00 H new ATOM 0 HA ARG A 22 11.659 6.702 0.432 1.00 0.00 H new ATOM 0 HB2 ARG A 22 9.416 6.895 2.510 1.00 0.00 H new ATOM 0 HB3 ARG A 22 10.336 5.433 2.212 1.00 0.00 H new ATOM 0 HG2 ARG A 22 12.268 6.267 3.229 1.00 0.00 H new ATOM 0 HG3 ARG A 22 11.994 7.901 2.656 1.00 0.00 H new ATOM 0 HD2 ARG A 22 10.499 8.421 4.432 1.00 0.00 H new ATOM 0 HD3 ARG A 22 10.124 6.738 4.746 1.00 0.00 H new ATOM 0 HE ARG A 22 12.315 8.248 5.902 1.00 0.00 H new ATOM 0 HH11 ARG A 22 11.337 5.110 4.672 1.00 0.00 H new ATOM 0 HH12 ARG A 22 12.466 4.213 5.693 1.00 0.00 H new ATOM 0 HH21 ARG A 22 13.762 7.084 7.209 1.00 0.00 H new ATOM 0 HH22 ARG A 22 13.826 5.321 7.116 1.00 0.00 H new ATOM 339 N LEU A 23 8.646 7.030 -0.625 1.00 0.00 N ATOM 340 CA LEU A 23 7.633 6.504 -1.536 1.00 0.00 C ATOM 341 C LEU A 23 8.263 6.122 -2.876 1.00 0.00 C ATOM 342 O LEU A 23 9.010 6.900 -3.469 1.00 0.00 O ATOM 343 CB LEU A 23 6.546 7.584 -1.697 1.00 0.00 C ATOM 344 CG LEU A 23 5.643 7.379 -2.935 1.00 0.00 C ATOM 345 CD1 LEU A 23 6.381 7.751 -4.245 1.00 0.00 C ATOM 346 CD2 LEU A 23 5.102 5.933 -2.996 1.00 0.00 C ATOM 0 H LEU A 23 8.490 7.996 -0.337 1.00 0.00 H new ATOM 0 HA LEU A 23 7.185 5.595 -1.136 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.923 7.596 -0.802 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.025 8.561 -1.765 1.00 0.00 H new ATOM 0 HG LEU A 23 4.792 8.053 -2.834 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.716 7.594 -5.094 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.682 8.798 -4.208 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.265 7.123 -4.356 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.470 5.818 -3.877 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.937 5.234 -3.054 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.517 5.725 -2.100 1.00 0.00 H new ATOM 358 N GLU A 24 7.959 4.910 -3.343 1.00 0.00 N ATOM 359 CA GLU A 24 8.488 4.412 -4.615 1.00 0.00 C ATOM 360 C GLU A 24 7.415 4.481 -5.704 1.00 0.00 C ATOM 361 O GLU A 24 7.569 5.199 -6.693 1.00 0.00 O ATOM 362 CB GLU A 24 8.954 2.964 -4.450 1.00 0.00 C ATOM 363 CG GLU A 24 9.381 2.401 -5.807 1.00 0.00 C ATOM 364 CD GLU A 24 10.172 1.112 -5.611 1.00 0.00 C ATOM 365 OE1 GLU A 24 9.731 0.283 -4.832 1.00 0.00 O ATOM 366 OE2 GLU A 24 11.207 0.973 -6.243 1.00 0.00 O ATOM 0 H GLU A 24 7.348 4.253 -2.858 1.00 0.00 H new ATOM 0 HA GLU A 24 9.331 5.037 -4.909 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.787 2.918 -3.748 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.150 2.359 -4.031 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.502 2.208 -6.423 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.989 3.133 -6.339 1.00 0.00 H new ATOM 373 N SER A 25 6.330 3.728 -5.518 1.00 0.00 N ATOM 374 CA SER A 25 5.239 3.709 -6.493 1.00 0.00 C ATOM 375 C SER A 25 3.923 3.316 -5.821 1.00 0.00 C ATOM 376 O SER A 25 3.897 3.010 -4.629 1.00 0.00 O ATOM 377 CB SER A 25 5.556 2.716 -7.611 1.00 0.00 C ATOM 378 OG SER A 25 4.373 2.447 -8.352 1.00 0.00 O ATOM 0 H SER A 25 6.184 3.127 -4.707 1.00 0.00 H new ATOM 0 HA SER A 25 5.136 4.710 -6.912 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.325 3.124 -8.267 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.953 1.792 -7.190 1.00 0.00 H new ATOM 0 HG SER A 25 4.574 1.812 -9.070 1.00 0.00 H new ATOM 384 N TYR A 26 2.828 3.324 -6.594 1.00 0.00 N ATOM 385 CA TYR A 26 1.506 2.963 -6.063 1.00 0.00 C ATOM 386 C TYR A 26 0.956 1.722 -6.773 1.00 0.00 C ATOM 387 O TYR A 26 1.432 1.349 -7.846 1.00 0.00 O ATOM 388 CB TYR A 26 0.530 4.135 -6.220 1.00 0.00 C ATOM 389 CG TYR A 26 0.157 4.316 -7.671 1.00 0.00 C ATOM 390 CD1 TYR A 26 1.005 5.026 -8.527 1.00 0.00 C ATOM 391 CD2 TYR A 26 -1.039 3.776 -8.158 1.00 0.00 C ATOM 392 CE1 TYR A 26 0.662 5.199 -9.870 1.00 0.00 C ATOM 393 CE2 TYR A 26 -1.385 3.947 -9.504 1.00 0.00 C ATOM 394 CZ TYR A 26 -0.535 4.661 -10.360 1.00 0.00 C ATOM 395 OH TYR A 26 -0.876 4.830 -11.687 1.00 0.00 O ATOM 0 H TYR A 26 2.831 3.575 -7.583 1.00 0.00 H new ATOM 0 HA TYR A 26 1.616 2.734 -5.003 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.366 3.952 -5.627 1.00 0.00 H new ATOM 0 HB3 TYR A 26 0.984 5.049 -5.838 1.00 0.00 H new ATOM 0 HD1 TYR A 26 1.927 5.442 -8.149 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.694 3.228 -7.497 1.00 0.00 H new ATOM 0 HE1 TYR A 26 1.319 5.747 -10.530 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -2.306 3.529 -9.882 1.00 0.00 H new ATOM 0 HH TYR A 26 -1.736 4.394 -11.862 1.00 0.00 H new ATOM 405 N ARG A 27 -0.041 1.083 -6.160 1.00 0.00 N ATOM 406 CA ARG A 27 -0.644 -0.122 -6.732 1.00 0.00 C ATOM 407 C ARG A 27 -2.072 -0.302 -6.203 1.00 0.00 C ATOM 408 O ARG A 27 -2.319 -0.182 -5.006 1.00 0.00 O ATOM 409 CB ARG A 27 0.226 -1.340 -6.371 1.00 0.00 C ATOM 410 CG ARG A 27 -0.469 -2.651 -6.766 1.00 0.00 C ATOM 411 CD ARG A 27 -0.810 -2.637 -8.258 1.00 0.00 C ATOM 412 NE ARG A 27 -0.980 -4.000 -8.749 1.00 0.00 N ATOM 413 CZ ARG A 27 0.054 -4.828 -8.855 1.00 0.00 C ATOM 414 NH1 ARG A 27 1.248 -4.426 -8.517 1.00 0.00 N ATOM 415 NH2 ARG A 27 -0.125 -6.042 -9.298 1.00 0.00 N ATOM 0 H ARG A 27 -0.447 1.378 -5.272 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.695 -0.027 -7.817 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.188 -1.267 -6.879 1.00 0.00 H new ATOM 0 HB3 ARG A 27 0.430 -1.341 -5.300 1.00 0.00 H new ATOM 0 HG2 ARG A 27 0.180 -3.498 -6.541 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.378 -2.781 -6.179 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -1.724 -2.066 -8.424 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -0.017 -2.138 -8.815 1.00 0.00 H new ATOM 0 HE ARG A 27 -1.910 -4.324 -9.016 1.00 0.00 H new ATOM 0 HH11 ARG A 27 1.388 -3.477 -8.172 1.00 0.00 H new ATOM 0 HH12 ARG A 27 2.042 -5.061 -8.598 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -1.059 -6.356 -9.563 1.00 0.00 H new ATOM 0 HH22 ARG A 27 0.669 -6.677 -9.379 1.00 0.00 H new ATOM 429 N ARG A 28 -3.011 -0.576 -7.108 1.00 0.00 N ATOM 430 CA ARG A 28 -4.414 -0.752 -6.725 1.00 0.00 C ATOM 431 C ARG A 28 -4.698 -2.196 -6.294 1.00 0.00 C ATOM 432 O ARG A 28 -4.045 -3.134 -6.752 1.00 0.00 O ATOM 433 CB ARG A 28 -5.319 -0.362 -7.914 1.00 0.00 C ATOM 434 CG ARG A 28 -6.606 0.305 -7.407 1.00 0.00 C ATOM 435 CD ARG A 28 -7.665 0.295 -8.511 1.00 0.00 C ATOM 436 NE ARG A 28 -7.206 1.067 -9.660 1.00 0.00 N ATOM 437 CZ ARG A 28 -7.976 1.228 -10.732 1.00 0.00 C ATOM 438 NH1 ARG A 28 -9.165 0.691 -10.767 1.00 0.00 N ATOM 439 NH2 ARG A 28 -7.542 1.923 -11.748 1.00 0.00 N ATOM 0 H ARG A 28 -2.829 -0.681 -8.106 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.626 -0.106 -5.873 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.786 0.318 -8.578 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.566 -1.249 -8.498 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.978 -0.223 -6.529 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.398 1.330 -7.099 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -7.875 -0.731 -8.814 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -8.598 0.713 -8.133 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.278 1.491 -9.641 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -9.503 0.148 -9.972 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -9.756 0.814 -11.589 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -6.613 2.342 -11.719 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.132 2.047 -12.571 1.00 0.00 H new ATOM 453 N ILE A 29 -5.691 -2.356 -5.411 1.00 0.00 N ATOM 454 CA ILE A 29 -6.088 -3.682 -4.910 1.00 0.00 C ATOM 455 C ILE A 29 -7.490 -4.019 -5.421 1.00 0.00 C ATOM 456 O ILE A 29 -8.476 -3.410 -5.007 1.00 0.00 O ATOM 457 CB ILE A 29 -6.059 -3.713 -3.345 1.00 0.00 C ATOM 458 CG1 ILE A 29 -5.733 -2.304 -2.819 1.00 0.00 C ATOM 459 CG2 ILE A 29 -4.999 -4.716 -2.854 1.00 0.00 C ATOM 460 CD1 ILE A 29 -5.782 -2.261 -1.285 1.00 0.00 C ATOM 0 H ILE A 29 -6.236 -1.584 -5.027 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.381 -4.426 -5.276 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.033 -4.027 -2.970 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.743 -2.004 -3.163 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.444 -1.586 -3.229 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -4.988 -4.729 -1.764 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.240 -5.712 -3.226 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -4.018 -4.418 -3.223 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.548 -1.253 -0.942 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -6.780 -2.537 -0.945 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.053 -2.962 -0.878 1.00 0.00 H new ATOM 472 N THR A 30 -7.567 -4.995 -6.325 1.00 0.00 N ATOM 473 CA THR A 30 -8.849 -5.413 -6.895 1.00 0.00 C ATOM 474 C THR A 30 -8.902 -6.930 -7.017 1.00 0.00 C ATOM 475 O THR A 30 -9.787 -7.579 -6.457 1.00 0.00 O ATOM 476 CB THR A 30 -9.036 -4.779 -8.277 1.00 0.00 C ATOM 477 OG1 THR A 30 -8.332 -5.544 -9.244 1.00 0.00 O ATOM 478 CG2 THR A 30 -8.496 -3.347 -8.264 1.00 0.00 C ATOM 0 H THR A 30 -6.760 -5.510 -6.678 1.00 0.00 H new ATOM 0 HA THR A 30 -9.650 -5.082 -6.234 1.00 0.00 H new ATOM 0 HB THR A 30 -10.097 -4.760 -8.528 1.00 0.00 H new ATOM 0 HG1 THR A 30 -8.451 -5.142 -10.130 1.00 0.00 H new ATOM 0 HG21 THR A 30 -8.630 -2.899 -9.248 1.00 0.00 H new ATOM 0 HG22 THR A 30 -9.037 -2.761 -7.521 1.00 0.00 H new ATOM 0 HG23 THR A 30 -7.435 -3.360 -8.013 1.00 0.00 H new ATOM 526 N CYS A 34 -10.086 -7.296 -0.648 1.00 0.00 N ATOM 527 CA CYS A 34 -9.851 -6.124 0.193 1.00 0.00 C ATOM 528 C CYS A 34 -11.145 -5.302 0.307 1.00 0.00 C ATOM 529 O CYS A 34 -12.022 -5.404 -0.552 1.00 0.00 O ATOM 530 CB CYS A 34 -8.706 -5.275 -0.412 1.00 0.00 C ATOM 531 SG CYS A 34 -7.339 -5.122 0.775 1.00 0.00 S ATOM 0 HA CYS A 34 -9.556 -6.439 1.194 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -8.348 -5.738 -1.332 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -9.079 -4.286 -0.677 1.00 0.00 H new ATOM 0 HG CYS A 34 -6.387 -4.409 0.251 1.00 0.00 H new ATOM 536 N PRO A 35 -11.287 -4.502 1.338 1.00 0.00 N ATOM 537 CA PRO A 35 -12.505 -3.666 1.541 1.00 0.00 C ATOM 538 C PRO A 35 -13.026 -3.061 0.236 1.00 0.00 C ATOM 539 O PRO A 35 -14.099 -3.426 -0.243 1.00 0.00 O ATOM 540 CB PRO A 35 -12.026 -2.579 2.504 1.00 0.00 C ATOM 541 CG PRO A 35 -10.972 -3.243 3.330 1.00 0.00 C ATOM 542 CD PRO A 35 -10.308 -4.296 2.426 1.00 0.00 C ATOM 0 HA PRO A 35 -13.345 -4.246 1.923 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -11.625 -1.721 1.965 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -12.843 -2.212 3.125 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -10.240 -2.516 3.682 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -11.408 -3.709 4.213 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -9.351 -3.945 2.040 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -10.113 -5.221 2.968 1.00 0.00 H new ATOM 550 N GLN A 36 -12.261 -2.129 -0.328 1.00 0.00 N ATOM 551 CA GLN A 36 -12.656 -1.473 -1.573 1.00 0.00 C ATOM 552 C GLN A 36 -11.430 -1.010 -2.351 1.00 0.00 C ATOM 553 O GLN A 36 -10.328 -0.935 -1.806 1.00 0.00 O ATOM 554 CB GLN A 36 -13.548 -0.268 -1.264 1.00 0.00 C ATOM 555 CG GLN A 36 -12.842 0.651 -0.263 1.00 0.00 C ATOM 556 CD GLN A 36 -13.703 1.879 0.012 1.00 0.00 C ATOM 557 OE1 GLN A 36 -14.713 1.787 0.710 1.00 0.00 O ATOM 558 NE2 GLN A 36 -13.362 3.031 -0.498 1.00 0.00 N ATOM 0 H GLN A 36 -11.370 -1.812 0.054 1.00 0.00 H new ATOM 0 HA GLN A 36 -13.206 -2.191 -2.181 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -13.769 0.278 -2.181 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -14.501 -0.604 -0.855 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -12.653 0.114 0.666 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -11.873 0.957 -0.658 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -12.525 3.105 -1.076 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -13.933 3.857 -0.319 1.00 0.00 H new ATOM 567 N LYS A 37 -11.629 -0.696 -3.627 1.00 0.00 N ATOM 568 CA LYS A 37 -10.531 -0.237 -4.472 1.00 0.00 C ATOM 569 C LYS A 37 -9.729 0.840 -3.746 1.00 0.00 C ATOM 570 O LYS A 37 -10.298 1.765 -3.166 1.00 0.00 O ATOM 571 CB LYS A 37 -11.083 0.327 -5.789 1.00 0.00 C ATOM 572 CG LYS A 37 -11.472 -0.819 -6.729 1.00 0.00 C ATOM 573 CD LYS A 37 -12.560 -1.679 -6.078 1.00 0.00 C ATOM 574 CE LYS A 37 -13.238 -2.543 -7.144 1.00 0.00 C ATOM 575 NZ LYS A 37 -14.039 -3.612 -6.482 1.00 0.00 N ATOM 0 H LYS A 37 -12.533 -0.750 -4.096 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.878 -1.082 -4.691 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.951 0.955 -5.589 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.334 0.960 -6.265 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.831 -0.418 -7.677 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.598 -1.430 -6.953 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.123 -2.312 -5.306 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -13.297 -1.042 -5.589 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.882 -1.927 -7.771 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.488 -2.988 -7.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -14.500 -4.199 -7.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -13.413 -4.206 -5.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -14.764 -3.178 -5.876 1.00 0.00 H new ATOM 589 N ALA A 38 -8.406 0.714 -3.778 1.00 0.00 N ATOM 590 CA ALA A 38 -7.544 1.684 -3.112 1.00 0.00 C ATOM 591 C ALA A 38 -6.101 1.543 -3.599 1.00 0.00 C ATOM 592 O ALA A 38 -5.624 0.438 -3.835 1.00 0.00 O ATOM 593 CB ALA A 38 -7.615 1.473 -1.591 1.00 0.00 C ATOM 0 H ALA A 38 -7.912 -0.042 -4.252 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.888 2.690 -3.353 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.971 2.198 -1.093 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.642 1.608 -1.253 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -7.282 0.464 -1.348 1.00 0.00 H new ATOM 599 N VAL A 39 -5.406 2.667 -3.742 1.00 0.00 N ATOM 600 CA VAL A 39 -4.020 2.633 -4.196 1.00 0.00 C ATOM 601 C VAL A 39 -3.096 2.283 -3.032 1.00 0.00 C ATOM 602 O VAL A 39 -3.354 2.656 -1.888 1.00 0.00 O ATOM 603 CB VAL A 39 -3.636 3.978 -4.806 1.00 0.00 C ATOM 604 CG1 VAL A 39 -4.684 4.377 -5.850 1.00 0.00 C ATOM 605 CG2 VAL A 39 -3.572 5.042 -3.712 1.00 0.00 C ATOM 0 H VAL A 39 -5.773 3.600 -3.553 1.00 0.00 H new ATOM 0 HA VAL A 39 -3.914 1.865 -4.962 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.659 3.895 -5.281 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.413 5.338 -6.288 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.725 3.619 -6.633 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.661 4.458 -5.373 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.297 6.001 -4.152 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.547 5.129 -3.232 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.826 4.757 -2.970 1.00 0.00 H new ATOM 615 N ILE A 40 -2.033 1.530 -3.327 1.00 0.00 N ATOM 616 CA ILE A 40 -1.086 1.089 -2.296 1.00 0.00 C ATOM 617 C ILE A 40 0.290 1.722 -2.490 1.00 0.00 C ATOM 618 O ILE A 40 1.062 1.277 -3.336 1.00 0.00 O ATOM 619 CB ILE A 40 -0.954 -0.438 -2.382 1.00 0.00 C ATOM 620 CG1 ILE A 40 -2.278 -1.087 -1.977 1.00 0.00 C ATOM 621 CG2 ILE A 40 0.161 -0.946 -1.463 1.00 0.00 C ATOM 622 CD1 ILE A 40 -2.292 -2.550 -2.429 1.00 0.00 C ATOM 0 H ILE A 40 -1.806 1.213 -4.269 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.463 1.397 -1.321 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.704 -0.704 -3.409 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.408 -1.028 -0.896 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.112 -0.548 -2.428 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.233 -2.031 -1.543 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.109 -0.497 -1.758 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.064 -0.673 -0.432 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.236 -3.011 -2.140 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.182 -2.597 -3.512 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.468 -3.085 -1.957 1.00 0.00 H new ATOM 634 N PHE A 41 0.610 2.731 -1.680 1.00 0.00 N ATOM 635 CA PHE A 41 1.918 3.374 -1.776 1.00 0.00 C ATOM 636 C PHE A 41 2.964 2.521 -1.070 1.00 0.00 C ATOM 637 O PHE A 41 2.867 2.273 0.131 1.00 0.00 O ATOM 638 CB PHE A 41 1.891 4.765 -1.139 1.00 0.00 C ATOM 639 CG PHE A 41 0.832 5.612 -1.807 1.00 0.00 C ATOM 640 CD1 PHE A 41 0.985 6.012 -3.143 1.00 0.00 C ATOM 641 CD2 PHE A 41 -0.295 6.012 -1.086 1.00 0.00 C ATOM 642 CE1 PHE A 41 0.010 6.808 -3.752 1.00 0.00 C ATOM 643 CE2 PHE A 41 -1.265 6.810 -1.692 1.00 0.00 C ATOM 644 CZ PHE A 41 -1.115 7.210 -3.026 1.00 0.00 C ATOM 0 H PHE A 41 -0.006 3.114 -0.963 1.00 0.00 H new ATOM 0 HA PHE A 41 2.171 3.476 -2.831 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.685 4.683 -0.072 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.867 5.240 -1.239 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.857 5.705 -3.702 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.416 5.703 -0.058 1.00 0.00 H new ATOM 0 HE1 PHE A 41 0.126 7.112 -4.782 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.134 7.120 -1.131 1.00 0.00 H new ATOM 0 HZ PHE A 41 -1.867 7.828 -3.493 1.00 0.00 H new ATOM 654 N LYS A 42 3.967 2.072 -1.821 1.00 0.00 N ATOM 655 CA LYS A 42 5.032 1.243 -1.257 1.00 0.00 C ATOM 656 C LYS A 42 6.281 2.080 -1.014 1.00 0.00 C ATOM 657 O LYS A 42 6.552 3.038 -1.739 1.00 0.00 O ATOM 658 CB LYS A 42 5.358 0.091 -2.213 1.00 0.00 C ATOM 659 CG LYS A 42 5.387 0.610 -3.652 1.00 0.00 C ATOM 660 CD LYS A 42 6.041 -0.433 -4.563 1.00 0.00 C ATOM 661 CE LYS A 42 5.364 -1.793 -4.370 1.00 0.00 C ATOM 662 NZ LYS A 42 5.896 -2.441 -3.137 1.00 0.00 N ATOM 0 H LYS A 42 4.066 2.267 -2.817 1.00 0.00 H new ATOM 0 HA LYS A 42 4.691 0.835 -0.306 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.322 -0.348 -1.955 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.612 -0.698 -2.115 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.374 0.821 -3.993 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.941 1.547 -3.700 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.959 -0.121 -5.604 1.00 0.00 H new ATOM 0 HD3 LYS A 42 7.104 -0.511 -4.336 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.284 -1.666 -4.290 1.00 0.00 H new ATOM 0 HE3 LYS A 42 5.547 -2.429 -5.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 6.123 -3.436 -3.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 6.756 -1.945 -2.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.180 -2.395 -2.384 1.00 0.00 H new ATOM 676 N THR A 43 7.039 1.711 0.013 1.00 0.00 N ATOM 677 CA THR A 43 8.264 2.431 0.355 1.00 0.00 C ATOM 678 C THR A 43 9.270 1.471 0.988 1.00 0.00 C ATOM 679 O THR A 43 8.966 0.302 1.221 1.00 0.00 O ATOM 680 CB THR A 43 7.957 3.599 1.324 1.00 0.00 C ATOM 681 OG1 THR A 43 8.897 3.596 2.389 1.00 0.00 O ATOM 682 CG2 THR A 43 6.541 3.458 1.897 1.00 0.00 C ATOM 0 H THR A 43 6.829 0.920 0.622 1.00 0.00 H new ATOM 0 HA THR A 43 8.692 2.846 -0.558 1.00 0.00 H new ATOM 0 HB THR A 43 8.027 4.537 0.774 1.00 0.00 H new ATOM 0 HG1 THR A 43 8.663 2.892 3.029 1.00 0.00 H new ATOM 0 HG21 THR A 43 6.339 4.286 2.576 1.00 0.00 H new ATOM 0 HG22 THR A 43 5.816 3.472 1.083 1.00 0.00 H new ATOM 0 HG23 THR A 43 6.460 2.516 2.439 1.00 0.00 H new ATOM 690 N LYS A 44 10.473 1.972 1.251 1.00 0.00 N ATOM 691 CA LYS A 44 11.524 1.150 1.845 1.00 0.00 C ATOM 692 C LYS A 44 11.353 1.043 3.357 1.00 0.00 C ATOM 693 O LYS A 44 12.335 0.946 4.092 1.00 0.00 O ATOM 694 CB LYS A 44 12.894 1.754 1.531 1.00 0.00 C ATOM 695 CG LYS A 44 13.159 1.669 0.026 1.00 0.00 C ATOM 696 CD LYS A 44 14.333 2.579 -0.338 1.00 0.00 C ATOM 697 CE LYS A 44 15.547 2.218 0.518 1.00 0.00 C ATOM 698 NZ LYS A 44 15.654 0.735 0.627 1.00 0.00 N ATOM 0 H LYS A 44 10.744 2.937 1.064 1.00 0.00 H new ATOM 0 HA LYS A 44 11.452 0.150 1.418 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.928 2.793 1.859 1.00 0.00 H new ATOM 0 HB3 LYS A 44 13.672 1.221 2.078 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.381 0.640 -0.257 1.00 0.00 H new ATOM 0 HG3 LYS A 44 12.269 1.967 -0.528 1.00 0.00 H new ATOM 0 HD2 LYS A 44 14.576 2.471 -1.395 1.00 0.00 H new ATOM 0 HD3 LYS A 44 14.060 3.622 -0.179 1.00 0.00 H new ATOM 0 HE2 LYS A 44 16.454 2.627 0.073 1.00 0.00 H new ATOM 0 HE3 LYS A 44 15.451 2.660 1.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 16.645 0.470 0.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 15.063 0.401 1.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 15.329 0.297 -0.259 1.00 0.00 H new ATOM 712 N LEU A 45 10.104 1.056 3.821 1.00 0.00 N ATOM 713 CA LEU A 45 9.840 0.953 5.256 1.00 0.00 C ATOM 714 C LEU A 45 9.994 -0.502 5.708 1.00 0.00 C ATOM 715 O LEU A 45 11.058 -0.906 6.174 1.00 0.00 O ATOM 716 CB LEU A 45 8.412 1.475 5.574 1.00 0.00 C ATOM 717 CG LEU A 45 8.438 2.887 6.211 1.00 0.00 C ATOM 718 CD1 LEU A 45 9.271 2.898 7.512 1.00 0.00 C ATOM 719 CD2 LEU A 45 9.002 3.907 5.206 1.00 0.00 C ATOM 0 H LEU A 45 9.272 1.135 3.236 1.00 0.00 H new ATOM 0 HA LEU A 45 10.560 1.566 5.799 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.823 1.502 4.657 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.915 0.781 6.252 1.00 0.00 H new ATOM 0 HG LEU A 45 7.415 3.165 6.466 1.00 0.00 H new ATOM 0 HD11 LEU A 45 9.271 3.902 7.936 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.836 2.202 8.229 1.00 0.00 H new ATOM 0 HD13 LEU A 45 10.295 2.598 7.291 1.00 0.00 H new ATOM 0 HD21 LEU A 45 9.017 4.897 5.662 1.00 0.00 H new ATOM 0 HD22 LEU A 45 10.016 3.621 4.927 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.373 3.927 4.316 1.00 0.00 H new ATOM 731 N ALA A 46 8.924 -1.281 5.569 1.00 0.00 N ATOM 732 CA ALA A 46 8.961 -2.682 5.971 1.00 0.00 C ATOM 733 C ALA A 46 7.734 -3.431 5.455 1.00 0.00 C ATOM 734 O ALA A 46 7.681 -4.660 5.507 1.00 0.00 O ATOM 735 CB ALA A 46 9.016 -2.785 7.496 1.00 0.00 C ATOM 0 H ALA A 46 8.031 -0.970 5.186 1.00 0.00 H new ATOM 0 HA ALA A 46 9.853 -3.136 5.539 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.043 -3.835 7.789 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.911 -2.282 7.863 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.133 -2.312 7.925 1.00 0.00 H new ATOM 741 N LYS A 47 6.749 -2.687 4.959 1.00 0.00 N ATOM 742 CA LYS A 47 5.531 -3.305 4.440 1.00 0.00 C ATOM 743 C LYS A 47 4.795 -2.351 3.501 1.00 0.00 C ATOM 744 O LYS A 47 5.221 -1.214 3.291 1.00 0.00 O ATOM 745 CB LYS A 47 4.614 -3.712 5.605 1.00 0.00 C ATOM 746 CG LYS A 47 4.705 -2.673 6.729 1.00 0.00 C ATOM 747 CD LYS A 47 4.361 -1.284 6.182 1.00 0.00 C ATOM 748 CE LYS A 47 4.042 -0.336 7.342 1.00 0.00 C ATOM 749 NZ LYS A 47 2.667 -0.613 7.844 1.00 0.00 N ATOM 0 H LYS A 47 6.768 -1.669 4.905 1.00 0.00 H new ATOM 0 HA LYS A 47 5.809 -4.194 3.874 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.584 -3.795 5.257 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.903 -4.693 5.981 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.021 -2.936 7.536 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.710 -2.669 7.152 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.197 -0.894 5.601 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.507 -1.349 5.508 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.768 -0.469 8.145 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.118 0.700 7.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.351 0.175 8.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.017 -0.716 7.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.671 -1.492 8.400 1.00 0.00 H new ATOM 763 N ASP A 48 3.688 -2.827 2.937 1.00 0.00 N ATOM 764 CA ASP A 48 2.890 -2.022 2.016 1.00 0.00 C ATOM 765 C ASP A 48 1.884 -1.166 2.783 1.00 0.00 C ATOM 766 O ASP A 48 1.428 -1.544 3.862 1.00 0.00 O ATOM 767 CB ASP A 48 2.143 -2.937 1.044 1.00 0.00 C ATOM 768 CG ASP A 48 3.119 -3.533 0.035 1.00 0.00 C ATOM 769 OD1 ASP A 48 3.859 -2.771 -0.565 1.00 0.00 O ATOM 770 OD2 ASP A 48 3.113 -4.743 -0.123 1.00 0.00 O ATOM 0 H ASP A 48 3.323 -3.765 3.101 1.00 0.00 H new ATOM 0 HA ASP A 48 3.560 -1.365 1.461 1.00 0.00 H new ATOM 0 HB2 ASP A 48 1.643 -3.735 1.594 1.00 0.00 H new ATOM 0 HB3 ASP A 48 1.368 -2.374 0.524 1.00 0.00 H new ATOM 775 N ILE A 49 1.541 -0.009 2.213 1.00 0.00 N ATOM 776 CA ILE A 49 0.585 0.908 2.837 1.00 0.00 C ATOM 777 C ILE A 49 -0.595 1.138 1.899 1.00 0.00 C ATOM 778 O ILE A 49 -0.405 1.401 0.717 1.00 0.00 O ATOM 779 CB ILE A 49 1.271 2.245 3.144 1.00 0.00 C ATOM 780 CG1 ILE A 49 2.513 2.011 4.043 1.00 0.00 C ATOM 781 CG2 ILE A 49 0.275 3.158 3.866 1.00 0.00 C ATOM 782 CD1 ILE A 49 3.768 1.760 3.190 1.00 0.00 C ATOM 0 H ILE A 49 1.911 0.315 1.320 1.00 0.00 H new ATOM 0 HA ILE A 49 0.224 0.470 3.767 1.00 0.00 H new ATOM 0 HB ILE A 49 1.595 2.711 2.214 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.672 2.878 4.684 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.337 1.158 4.698 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.752 4.112 4.090 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.593 3.327 3.228 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -0.044 2.686 4.795 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.626 1.599 3.843 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.615 0.878 2.568 1.00 0.00 H new ATOM 0 HD13 ILE A 49 3.954 2.625 2.554 1.00 0.00 H new ATOM 794 N CYS A 50 -1.811 1.024 2.431 1.00 0.00 N ATOM 795 CA CYS A 50 -3.025 1.195 1.623 1.00 0.00 C ATOM 796 C CYS A 50 -3.620 2.588 1.807 1.00 0.00 C ATOM 797 O CYS A 50 -3.370 3.257 2.809 1.00 0.00 O ATOM 798 CB CYS A 50 -4.058 0.156 2.048 1.00 0.00 C ATOM 799 SG CYS A 50 -3.532 -1.484 1.490 1.00 0.00 S ATOM 0 H CYS A 50 -1.985 0.815 3.414 1.00 0.00 H new ATOM 0 HA CYS A 50 -2.759 1.067 0.574 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -4.172 0.164 3.132 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -5.032 0.401 1.623 1.00 0.00 H new ATOM 0 HG CYS A 50 -4.362 -2.380 1.934 1.00 0.00 H new ATOM 804 N ALA A 51 -4.412 3.017 0.824 1.00 0.00 N ATOM 805 CA ALA A 51 -5.045 4.332 0.877 1.00 0.00 C ATOM 806 C ALA A 51 -6.047 4.492 -0.271 1.00 0.00 C ATOM 807 O ALA A 51 -5.785 4.067 -1.394 1.00 0.00 O ATOM 808 CB ALA A 51 -3.971 5.426 0.799 1.00 0.00 C ATOM 0 H ALA A 51 -4.629 2.476 -0.013 1.00 0.00 H new ATOM 0 HA ALA A 51 -5.585 4.426 1.819 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.446 6.406 0.839 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.284 5.322 1.639 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.419 5.328 -0.136 1.00 0.00 H new ATOM 814 N ASP A 52 -7.200 5.099 0.022 1.00 0.00 N ATOM 815 CA ASP A 52 -8.242 5.298 -0.992 1.00 0.00 C ATOM 816 C ASP A 52 -8.066 6.651 -1.711 1.00 0.00 C ATOM 817 O ASP A 52 -7.689 7.641 -1.083 1.00 0.00 O ATOM 818 CB ASP A 52 -9.623 5.255 -0.314 1.00 0.00 C ATOM 819 CG ASP A 52 -10.116 3.817 -0.172 1.00 0.00 C ATOM 820 OD1 ASP A 52 -9.924 3.050 -1.101 1.00 0.00 O ATOM 821 OD2 ASP A 52 -10.688 3.507 0.859 1.00 0.00 O ATOM 0 H ASP A 52 -7.436 5.460 0.947 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.161 4.503 -1.733 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -9.565 5.722 0.669 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -10.338 5.833 -0.900 1.00 0.00 H new ATOM 826 N PRO A 53 -8.347 6.718 -3.001 1.00 0.00 N ATOM 827 CA PRO A 53 -8.226 7.986 -3.791 1.00 0.00 C ATOM 828 C PRO A 53 -9.304 9.003 -3.418 1.00 0.00 C ATOM 829 O PRO A 53 -10.214 9.278 -4.200 1.00 0.00 O ATOM 830 CB PRO A 53 -8.373 7.519 -5.247 1.00 0.00 C ATOM 831 CG PRO A 53 -9.200 6.280 -5.165 1.00 0.00 C ATOM 832 CD PRO A 53 -8.806 5.602 -3.853 1.00 0.00 C ATOM 0 HA PRO A 53 -7.285 8.503 -3.602 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -8.858 8.279 -5.860 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -7.402 7.318 -5.698 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -10.264 6.518 -5.178 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -9.010 5.626 -6.016 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -9.650 5.078 -3.405 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -8.018 4.865 -4.005 1.00 0.00 H new ATOM 840 N LYS A 54 -9.182 9.563 -2.219 1.00 0.00 N ATOM 841 CA LYS A 54 -10.134 10.560 -1.735 1.00 0.00 C ATOM 842 C LYS A 54 -9.422 11.537 -0.810 1.00 0.00 C ATOM 843 O LYS A 54 -9.712 12.733 -0.803 1.00 0.00 O ATOM 844 CB LYS A 54 -11.278 9.878 -0.983 1.00 0.00 C ATOM 845 CG LYS A 54 -11.914 8.808 -1.875 1.00 0.00 C ATOM 846 CD LYS A 54 -13.207 8.304 -1.231 1.00 0.00 C ATOM 847 CE LYS A 54 -13.904 7.325 -2.179 1.00 0.00 C ATOM 848 NZ LYS A 54 -14.561 8.083 -3.280 1.00 0.00 N ATOM 0 H LYS A 54 -8.433 9.344 -1.563 1.00 0.00 H new ATOM 0 HA LYS A 54 -10.546 11.100 -2.587 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.904 9.425 -0.065 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -12.026 10.615 -0.693 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -12.124 9.221 -2.862 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -11.220 7.980 -2.017 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -12.986 7.813 -0.283 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -13.866 9.143 -1.009 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -13.180 6.621 -2.589 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -14.644 6.739 -1.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -15.211 7.455 -3.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -15.095 8.882 -2.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -13.837 8.442 -3.934 1.00 0.00 H new ATOM 862 N LYS A 55 -8.473 11.013 -0.041 1.00 0.00 N ATOM 863 CA LYS A 55 -7.699 11.839 0.880 1.00 0.00 C ATOM 864 C LYS A 55 -6.649 12.620 0.080 1.00 0.00 C ATOM 865 O LYS A 55 -6.058 12.097 -0.862 1.00 0.00 O ATOM 866 CB LYS A 55 -7.041 10.965 1.984 1.00 0.00 C ATOM 867 CG LYS A 55 -7.480 9.500 1.824 1.00 0.00 C ATOM 868 CD LYS A 55 -6.845 8.629 2.917 1.00 0.00 C ATOM 869 CE LYS A 55 -7.310 9.088 4.308 1.00 0.00 C ATOM 870 NZ LYS A 55 -8.711 9.593 4.239 1.00 0.00 N ATOM 0 H LYS A 55 -8.222 10.024 -0.037 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.358 12.545 1.385 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -5.955 11.037 1.918 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.326 11.333 2.969 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.566 9.431 1.880 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.188 9.131 0.841 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -7.117 7.585 2.762 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.759 8.688 2.852 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.248 8.259 5.013 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.650 9.872 4.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.120 9.613 5.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -8.714 10.554 3.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.277 8.965 3.633 1.00 0.00 H new ATOM 884 N LYS A 56 -6.458 13.880 0.439 1.00 0.00 N ATOM 885 CA LYS A 56 -5.520 14.746 -0.273 1.00 0.00 C ATOM 886 C LYS A 56 -4.163 14.084 -0.538 1.00 0.00 C ATOM 887 O LYS A 56 -3.721 14.021 -1.685 1.00 0.00 O ATOM 888 CB LYS A 56 -5.305 16.035 0.526 1.00 0.00 C ATOM 889 CG LYS A 56 -4.654 17.093 -0.370 1.00 0.00 C ATOM 890 CD LYS A 56 -4.115 18.235 0.495 1.00 0.00 C ATOM 891 CE LYS A 56 -5.276 18.947 1.194 1.00 0.00 C ATOM 892 NZ LYS A 56 -4.815 20.270 1.702 1.00 0.00 N ATOM 0 H LYS A 56 -6.938 14.329 1.219 1.00 0.00 H new ATOM 0 HA LYS A 56 -5.966 14.958 -1.245 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.258 16.402 0.906 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -4.672 15.837 1.391 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -3.844 16.647 -0.948 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.382 17.477 -1.085 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -3.417 17.845 1.235 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -3.562 18.942 -0.123 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.105 19.081 0.499 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -5.646 18.338 2.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -5.604 20.754 2.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -4.037 20.130 2.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -4.482 20.851 0.906 1.00 0.00 H new ATOM 906 N TRP A 57 -3.484 13.632 0.512 1.00 0.00 N ATOM 907 CA TRP A 57 -2.160 13.031 0.337 1.00 0.00 C ATOM 908 C TRP A 57 -2.179 11.858 -0.638 1.00 0.00 C ATOM 909 O TRP A 57 -1.172 11.576 -1.288 1.00 0.00 O ATOM 910 CB TRP A 57 -1.575 12.596 1.684 1.00 0.00 C ATOM 911 CG TRP A 57 -2.205 11.325 2.167 1.00 0.00 C ATOM 912 CD1 TRP A 57 -3.366 11.251 2.856 1.00 0.00 C ATOM 913 CD2 TRP A 57 -1.721 9.953 2.031 1.00 0.00 C ATOM 914 NE1 TRP A 57 -3.626 9.926 3.154 1.00 0.00 N ATOM 915 CE2 TRP A 57 -2.643 9.088 2.668 1.00 0.00 C ATOM 916 CE3 TRP A 57 -0.584 9.376 1.424 1.00 0.00 C ATOM 917 CZ2 TRP A 57 -2.446 7.707 2.706 1.00 0.00 C ATOM 918 CZ3 TRP A 57 -0.385 7.986 1.460 1.00 0.00 C ATOM 919 CH2 TRP A 57 -1.314 7.154 2.101 1.00 0.00 C ATOM 0 H TRP A 57 -3.817 13.667 1.475 1.00 0.00 H new ATOM 0 HA TRP A 57 -1.520 13.801 -0.094 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -0.498 12.457 1.587 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -1.729 13.384 2.421 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -3.989 12.090 3.129 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -4.445 9.607 3.671 1.00 0.00 H new ATOM 0 HE3 TRP A 57 0.138 10.008 0.928 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -3.164 7.069 3.200 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 0.488 7.556 0.992 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -1.155 6.086 2.127 1.00 0.00 H new ATOM 930 N VAL A 58 -3.310 11.174 -0.747 1.00 0.00 N ATOM 931 CA VAL A 58 -3.394 10.044 -1.664 1.00 0.00 C ATOM 932 C VAL A 58 -3.345 10.531 -3.104 1.00 0.00 C ATOM 933 O VAL A 58 -2.515 10.080 -3.889 1.00 0.00 O ATOM 934 CB VAL A 58 -4.687 9.256 -1.430 1.00 0.00 C ATOM 935 CG1 VAL A 58 -4.814 8.137 -2.471 1.00 0.00 C ATOM 936 CG2 VAL A 58 -4.662 8.642 -0.028 1.00 0.00 C ATOM 0 H VAL A 58 -4.164 11.374 -0.226 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.543 9.388 -1.478 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.538 9.931 -1.522 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -5.736 7.582 -2.298 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.834 8.571 -3.471 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -3.962 7.462 -2.386 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.581 8.081 0.140 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.807 7.972 0.061 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.580 9.435 0.715 1.00 0.00 H new ATOM 946 N GLN A 59 -4.240 11.451 -3.443 1.00 0.00 N ATOM 947 CA GLN A 59 -4.294 11.987 -4.798 1.00 0.00 C ATOM 948 C GLN A 59 -3.013 12.751 -5.136 1.00 0.00 C ATOM 949 O GLN A 59 -2.571 12.764 -6.285 1.00 0.00 O ATOM 950 CB GLN A 59 -5.518 12.911 -4.950 1.00 0.00 C ATOM 951 CG GLN A 59 -6.661 12.429 -4.038 1.00 0.00 C ATOM 952 CD GLN A 59 -8.006 12.910 -4.576 1.00 0.00 C ATOM 953 OE1 GLN A 59 -8.517 12.366 -5.555 1.00 0.00 O ATOM 954 NE2 GLN A 59 -8.615 13.905 -3.989 1.00 0.00 N ATOM 0 H GLN A 59 -4.934 11.839 -2.804 1.00 0.00 H new ATOM 0 HA GLN A 59 -4.386 11.153 -5.493 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -5.245 13.935 -4.694 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -5.850 12.920 -5.988 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -6.654 11.341 -3.978 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -6.511 12.805 -3.026 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -8.191 14.355 -3.178 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -9.515 14.232 -4.342 1.00 0.00 H new ATOM 963 N ASP A 60 -2.430 13.398 -4.131 1.00 0.00 N ATOM 964 CA ASP A 60 -1.212 14.176 -4.337 1.00 0.00 C ATOM 965 C ASP A 60 0.014 13.275 -4.479 1.00 0.00 C ATOM 966 O ASP A 60 0.994 13.649 -5.123 1.00 0.00 O ATOM 967 CB ASP A 60 -1.006 15.131 -3.158 1.00 0.00 C ATOM 968 CG ASP A 60 0.001 16.216 -3.532 1.00 0.00 C ATOM 969 OD1 ASP A 60 -0.295 16.985 -4.432 1.00 0.00 O ATOM 970 OD2 ASP A 60 1.050 16.262 -2.912 1.00 0.00 O ATOM 0 H ASP A 60 -2.778 13.400 -3.172 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.328 14.740 -5.262 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.956 15.586 -2.878 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.650 14.577 -2.289 1.00 0.00 H new ATOM 975 N SER A 61 -0.034 12.095 -3.867 1.00 0.00 N ATOM 976 CA SER A 61 1.096 11.171 -3.932 1.00 0.00 C ATOM 977 C SER A 61 1.274 10.605 -5.342 1.00 0.00 C ATOM 978 O SER A 61 2.372 10.649 -5.897 1.00 0.00 O ATOM 979 CB SER A 61 0.889 10.021 -2.941 1.00 0.00 C ATOM 980 OG SER A 61 1.590 8.873 -3.402 1.00 0.00 O ATOM 0 H SER A 61 -0.831 11.758 -3.327 1.00 0.00 H new ATOM 0 HA SER A 61 1.997 11.726 -3.670 1.00 0.00 H new ATOM 0 HB2 SER A 61 1.248 10.308 -1.953 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.173 9.797 -2.842 1.00 0.00 H new ATOM 0 HG SER A 61 1.021 8.081 -3.305 1.00 0.00 H new ATOM 986 N MET A 62 0.199 10.073 -5.918 1.00 0.00 N ATOM 987 CA MET A 62 0.275 9.503 -7.262 1.00 0.00 C ATOM 988 C MET A 62 0.557 10.596 -8.290 1.00 0.00 C ATOM 989 O MET A 62 1.333 10.396 -9.225 1.00 0.00 O ATOM 990 CB MET A 62 -1.032 8.780 -7.616 1.00 0.00 C ATOM 991 CG MET A 62 -2.231 9.601 -7.133 1.00 0.00 C ATOM 992 SD MET A 62 -3.701 9.138 -8.081 1.00 0.00 S ATOM 993 CE MET A 62 -4.259 7.808 -6.992 1.00 0.00 C ATOM 0 H MET A 62 -0.723 10.024 -5.484 1.00 0.00 H new ATOM 0 HA MET A 62 1.092 8.782 -7.280 1.00 0.00 H new ATOM 0 HB2 MET A 62 -1.094 8.630 -8.694 1.00 0.00 H new ATOM 0 HB3 MET A 62 -1.047 7.792 -7.155 1.00 0.00 H new ATOM 0 HG2 MET A 62 -2.401 9.426 -6.071 1.00 0.00 H new ATOM 0 HG3 MET A 62 -2.028 10.665 -7.253 1.00 0.00 H new ATOM 0 HE1 MET A 62 -4.755 7.038 -7.583 1.00 0.00 H new ATOM 0 HE2 MET A 62 -3.401 7.375 -6.478 1.00 0.00 H new ATOM 0 HE3 MET A 62 -4.958 8.208 -6.258 1.00 0.00 H new ATOM 1003 N LYS A 63 -0.074 11.753 -8.111 1.00 0.00 N ATOM 1004 CA LYS A 63 0.126 12.867 -9.030 1.00 0.00 C ATOM 1005 C LYS A 63 1.608 13.211 -9.102 1.00 0.00 C ATOM 1006 O LYS A 63 2.161 13.415 -10.182 1.00 0.00 O ATOM 1007 CB LYS A 63 -0.676 14.086 -8.551 1.00 0.00 C ATOM 1008 CG LYS A 63 -0.339 15.322 -9.398 1.00 0.00 C ATOM 1009 CD LYS A 63 -0.510 15.004 -10.891 1.00 0.00 C ATOM 1010 CE LYS A 63 -0.662 16.305 -11.683 1.00 0.00 C ATOM 1011 NZ LYS A 63 -1.851 17.055 -11.186 1.00 0.00 N ATOM 0 H LYS A 63 -0.722 11.942 -7.346 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.222 12.583 -10.023 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.743 13.874 -8.616 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.454 14.285 -7.503 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.989 16.152 -9.119 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.685 15.639 -9.201 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.352 14.445 -11.254 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.386 14.372 -11.040 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.236 16.914 -11.577 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.775 16.086 -12.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.240 17.638 -11.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.575 16.382 -10.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.569 17.668 -10.395 1.00 0.00 H new ATOM 1025 N TYR A 64 2.245 13.262 -7.939 1.00 0.00 N ATOM 1026 CA TYR A 64 3.666 13.567 -7.865 1.00 0.00 C ATOM 1027 C TYR A 64 4.460 12.495 -8.622 1.00 0.00 C ATOM 1028 O TYR A 64 5.484 12.787 -9.239 1.00 0.00 O ATOM 1029 CB TYR A 64 4.078 13.662 -6.372 1.00 0.00 C ATOM 1030 CG TYR A 64 5.414 12.989 -6.107 1.00 0.00 C ATOM 1031 CD1 TYR A 64 6.547 13.368 -6.836 1.00 0.00 C ATOM 1032 CD2 TYR A 64 5.513 11.989 -5.130 1.00 0.00 C ATOM 1033 CE1 TYR A 64 7.778 12.749 -6.589 1.00 0.00 C ATOM 1034 CE2 TYR A 64 6.744 11.371 -4.883 1.00 0.00 C ATOM 1035 CZ TYR A 64 7.876 11.751 -5.612 1.00 0.00 C ATOM 1036 OH TYR A 64 9.090 11.140 -5.368 1.00 0.00 O ATOM 0 H TYR A 64 1.800 13.096 -7.036 1.00 0.00 H new ATOM 0 HA TYR A 64 3.885 14.525 -8.337 1.00 0.00 H new ATOM 0 HB2 TYR A 64 4.135 14.710 -6.078 1.00 0.00 H new ATOM 0 HB3 TYR A 64 3.309 13.199 -5.753 1.00 0.00 H new ATOM 0 HD1 TYR A 64 6.472 14.138 -7.589 1.00 0.00 H new ATOM 0 HD2 TYR A 64 4.639 11.695 -4.568 1.00 0.00 H new ATOM 0 HE1 TYR A 64 8.652 13.041 -7.152 1.00 0.00 H new ATOM 0 HE2 TYR A 64 6.820 10.601 -4.130 1.00 0.00 H new ATOM 0 HH TYR A 64 8.983 10.472 -4.659 1.00 0.00 H new ATOM 1046 N LEU A 65 3.972 11.260 -8.572 1.00 0.00 N ATOM 1047 CA LEU A 65 4.637 10.157 -9.261 1.00 0.00 C ATOM 1048 C LEU A 65 4.400 10.252 -10.764 1.00 0.00 C ATOM 1049 O LEU A 65 5.134 9.666 -11.559 1.00 0.00 O ATOM 1050 CB LEU A 65 4.111 8.811 -8.729 1.00 0.00 C ATOM 1051 CG LEU A 65 4.810 8.460 -7.390 1.00 0.00 C ATOM 1052 CD1 LEU A 65 3.897 7.564 -6.515 1.00 0.00 C ATOM 1053 CD2 LEU A 65 6.149 7.743 -7.677 1.00 0.00 C ATOM 0 H LEU A 65 3.126 10.998 -8.067 1.00 0.00 H new ATOM 0 HA LEU A 65 5.708 10.221 -9.071 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.032 8.865 -8.582 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.294 8.025 -9.461 1.00 0.00 H new ATOM 0 HG LEU A 65 5.006 9.382 -6.842 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.406 7.329 -5.580 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.968 8.092 -6.300 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.674 6.640 -7.049 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.639 7.497 -6.735 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.959 6.827 -8.237 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.795 8.398 -8.262 1.00 0.00 H new ATOM 1065 N ASP A 66 3.368 10.992 -11.145 1.00 0.00 N ATOM 1066 CA ASP A 66 3.037 11.159 -12.554 1.00 0.00 C ATOM 1067 C ASP A 66 4.078 12.030 -13.251 1.00 0.00 C ATOM 1068 O ASP A 66 4.370 11.843 -14.432 1.00 0.00 O ATOM 1069 CB ASP A 66 1.652 11.799 -12.678 1.00 0.00 C ATOM 1070 CG ASP A 66 1.070 11.540 -14.064 1.00 0.00 C ATOM 1071 OD1 ASP A 66 0.820 10.387 -14.375 1.00 0.00 O ATOM 1072 OD2 ASP A 66 0.882 12.499 -14.796 1.00 0.00 O ATOM 0 H ASP A 66 2.748 11.484 -10.502 1.00 0.00 H new ATOM 0 HA ASP A 66 3.032 10.181 -13.034 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.987 11.393 -11.916 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.723 12.872 -12.501 1.00 0.00 H new ATOM 1077 N GLN A 67 4.629 12.986 -12.512 1.00 0.00 N ATOM 1078 CA GLN A 67 5.631 13.888 -13.066 1.00 0.00 C ATOM 1079 C GLN A 67 6.889 13.123 -13.472 1.00 0.00 C ATOM 1080 O GLN A 67 7.347 13.226 -14.609 1.00 0.00 O ATOM 1081 CB GLN A 67 5.991 14.959 -12.035 1.00 0.00 C ATOM 1082 CG GLN A 67 4.728 15.726 -11.641 1.00 0.00 C ATOM 1083 CD GLN A 67 4.284 16.623 -12.792 1.00 0.00 C ATOM 1084 OE1 GLN A 67 4.868 17.682 -13.017 1.00 0.00 O ATOM 1085 NE2 GLN A 67 3.276 16.259 -13.539 1.00 0.00 N ATOM 0 H GLN A 67 4.400 13.156 -11.533 1.00 0.00 H new ATOM 0 HA GLN A 67 5.212 14.361 -13.954 1.00 0.00 H new ATOM 0 HB2 GLN A 67 6.439 14.497 -11.155 1.00 0.00 H new ATOM 0 HB3 GLN A 67 6.732 15.643 -12.448 1.00 0.00 H new ATOM 0 HG2 GLN A 67 3.932 15.026 -11.386 1.00 0.00 H new ATOM 0 HG3 GLN A 67 4.920 16.328 -10.753 1.00 0.00 H new ATOM 0 HE21 GLN A 67 2.793 15.381 -13.351 1.00 0.00 H new ATOM 0 HE22 GLN A 67 2.972 16.853 -14.310 1.00 0.00 H new ATOM 1094 N LYS A 68 7.444 12.359 -12.536 1.00 0.00 N ATOM 1095 CA LYS A 68 8.651 11.587 -12.815 1.00 0.00 C ATOM 1096 C LYS A 68 8.324 10.354 -13.653 1.00 0.00 C ATOM 1097 O LYS A 68 9.124 9.931 -14.486 1.00 0.00 O ATOM 1098 CB LYS A 68 9.322 11.163 -11.505 1.00 0.00 C ATOM 1099 CG LYS A 68 8.330 10.365 -10.651 1.00 0.00 C ATOM 1100 CD LYS A 68 8.905 10.137 -9.243 1.00 0.00 C ATOM 1101 CE LYS A 68 9.908 8.980 -9.266 1.00 0.00 C ATOM 1102 NZ LYS A 68 10.368 8.696 -7.877 1.00 0.00 N ATOM 0 H LYS A 68 7.082 12.258 -11.588 1.00 0.00 H new ATOM 0 HA LYS A 68 9.336 12.219 -13.380 1.00 0.00 H new ATOM 0 HB2 LYS A 68 10.204 10.558 -11.716 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.662 12.042 -10.958 1.00 0.00 H new ATOM 0 HG2 LYS A 68 7.384 10.902 -10.583 1.00 0.00 H new ATOM 0 HG3 LYS A 68 8.119 9.407 -11.125 1.00 0.00 H new ATOM 0 HD2 LYS A 68 9.393 11.045 -8.890 1.00 0.00 H new ATOM 0 HD3 LYS A 68 8.099 9.916 -8.544 1.00 0.00 H new ATOM 0 HE2 LYS A 68 9.446 8.092 -9.696 1.00 0.00 H new ATOM 0 HE3 LYS A 68 10.759 9.234 -9.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 11.049 7.910 -7.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 10.824 9.543 -7.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 9.552 8.436 -7.287 1.00 0.00 H new ATOM 1116 N SER A 69 7.142 9.784 -13.434 1.00 0.00 N ATOM 1117 CA SER A 69 6.726 8.605 -14.187 1.00 0.00 C ATOM 1118 C SER A 69 7.721 7.459 -13.992 1.00 0.00 C ATOM 1119 O SER A 69 8.638 7.290 -14.795 1.00 0.00 O ATOM 1120 CB SER A 69 6.640 8.950 -15.673 1.00 0.00 C ATOM 1121 OG SER A 69 5.955 10.186 -15.830 1.00 0.00 O ATOM 0 H SER A 69 6.462 10.115 -12.749 1.00 0.00 H new ATOM 0 HA SER A 69 5.749 8.289 -13.821 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.640 9.019 -16.101 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.117 8.160 -16.212 1.00 0.00 H new ATOM 0 HG SER A 69 5.390 10.349 -15.046 1.00 0.00 H new ATOM 1127 N PRO A 70 7.569 6.674 -12.951 1.00 0.00 N ATOM 1128 CA PRO A 70 8.484 5.534 -12.667 1.00 0.00 C ATOM 1129 C PRO A 70 8.090 4.271 -13.434 1.00 0.00 C ATOM 1130 O PRO A 70 8.867 3.320 -13.519 1.00 0.00 O ATOM 1131 CB PRO A 70 8.326 5.341 -11.158 1.00 0.00 C ATOM 1132 CG PRO A 70 6.903 5.719 -10.876 1.00 0.00 C ATOM 1133 CD PRO A 70 6.514 6.779 -11.923 1.00 0.00 C ATOM 0 HA PRO A 70 9.510 5.730 -12.977 1.00 0.00 H new ATOM 0 HB2 PRO A 70 8.528 4.310 -10.867 1.00 0.00 H new ATOM 0 HB3 PRO A 70 9.021 5.971 -10.603 1.00 0.00 H new ATOM 0 HG2 PRO A 70 6.250 4.849 -10.944 1.00 0.00 H new ATOM 0 HG3 PRO A 70 6.800 6.116 -9.866 1.00 0.00 H new ATOM 0 HD2 PRO A 70 5.528 6.582 -12.343 1.00 0.00 H new ATOM 0 HD3 PRO A 70 6.481 7.777 -11.486 1.00 0.00 H new ATOM 1368 N ASP B 218 7.969 11.076 11.867 1.00 0.00 N ATOM 1369 CA ASP B 218 8.756 12.145 12.472 1.00 0.00 C ATOM 1370 C ASP B 218 9.550 11.621 13.665 1.00 0.00 C ATOM 1371 O ASP B 218 9.599 12.258 14.718 1.00 0.00 O ATOM 1372 CB ASP B 218 7.833 13.278 12.930 1.00 0.00 C ATOM 1373 CG ASP B 218 8.658 14.410 13.532 1.00 0.00 C ATOM 1374 OD1 ASP B 218 9.417 15.019 12.798 1.00 0.00 O ATOM 1375 OD2 ASP B 218 8.517 14.652 14.720 1.00 0.00 O ATOM 0 HA ASP B 218 9.454 12.522 11.724 1.00 0.00 H new ATOM 0 HB2 ASP B 218 7.252 13.649 12.086 1.00 0.00 H new ATOM 0 HB3 ASP B 218 7.122 12.904 13.666 1.00 0.00 H new ATOM 1380 N ASP B 219 10.169 10.460 13.490 1.00 0.00 N ATOM 1381 CA ASP B 219 10.961 9.858 14.555 1.00 0.00 C ATOM 1382 C ASP B 219 11.922 8.823 13.983 1.00 0.00 C ATOM 1383 O ASP B 219 12.981 8.562 14.552 1.00 0.00 O ATOM 1384 CB ASP B 219 10.039 9.193 15.579 1.00 0.00 C ATOM 1385 CG ASP B 219 9.308 10.255 16.392 1.00 0.00 C ATOM 1386 OD1 ASP B 219 9.957 11.195 16.820 1.00 0.00 O ATOM 1387 OD2 ASP B 219 8.111 10.113 16.576 1.00 0.00 O ATOM 0 H ASP B 219 10.138 9.919 12.626 1.00 0.00 H new ATOM 0 HA ASP B 219 11.538 10.643 15.044 1.00 0.00 H new ATOM 0 HB2 ASP B 219 9.318 8.553 15.070 1.00 0.00 H new ATOM 0 HB3 ASP B 219 10.621 8.553 16.242 1.00 0.00 H new ATOM 1392 N VAL B 220 11.544 8.238 12.851 1.00 0.00 N ATOM 1393 CA VAL B 220 12.379 7.232 12.207 1.00 0.00 C ATOM 1394 C VAL B 220 12.657 6.079 13.166 1.00 0.00 C ATOM 1395 O VAL B 220 12.570 6.238 14.383 1.00 0.00 O ATOM 1396 CB VAL B 220 13.698 7.862 11.757 1.00 0.00 C ATOM 1397 CG1 VAL B 220 14.403 6.931 10.768 1.00 0.00 C ATOM 1398 CG2 VAL B 220 13.412 9.203 11.077 1.00 0.00 C ATOM 0 H VAL B 220 10.671 8.442 12.364 1.00 0.00 H new ATOM 0 HA VAL B 220 11.850 6.844 11.337 1.00 0.00 H new ATOM 0 HB VAL B 220 14.339 8.019 12.624 1.00 0.00 H new ATOM 0 HG11 VAL B 220 15.342 7.383 10.449 1.00 0.00 H new ATOM 0 HG12 VAL B 220 14.605 5.974 11.250 1.00 0.00 H new ATOM 0 HG13 VAL B 220 13.764 6.772 9.899 1.00 0.00 H new ATOM 0 HG21 VAL B 220 14.350 9.655 10.755 1.00 0.00 H new ATOM 0 HG22 VAL B 220 12.770 9.042 10.211 1.00 0.00 H new ATOM 0 HG23 VAL B 220 12.911 9.868 11.781 1.00 0.00 H new ATOM 1408 N GLY B 221 12.982 4.917 12.611 1.00 0.00 N ATOM 1409 CA GLY B 221 13.259 3.744 13.433 1.00 0.00 C ATOM 1410 C GLY B 221 11.963 3.160 13.985 1.00 0.00 C ATOM 1411 O GLY B 221 11.848 1.951 14.181 1.00 0.00 O ATOM 0 H GLY B 221 13.060 4.762 11.606 1.00 0.00 H new ATOM 0 HA2 GLY B 221 13.780 2.992 12.840 1.00 0.00 H new ATOM 0 HA3 GLY B 221 13.921 4.017 14.255 1.00 0.00 H new ATOM 1415 N LEU B 222 10.988 4.031 14.228 1.00 0.00 N ATOM 1416 CA LEU B 222 9.698 3.600 14.751 1.00 0.00 C ATOM 1417 C LEU B 222 9.196 2.382 13.981 1.00 0.00 C ATOM 1418 O LEU B 222 8.480 1.542 14.525 1.00 0.00 O ATOM 1419 CB LEU B 222 8.687 4.756 14.641 1.00 0.00 C ATOM 1420 CG LEU B 222 7.237 4.258 14.913 1.00 0.00 C ATOM 1421 CD1 LEU B 222 6.469 5.297 15.738 1.00 0.00 C ATOM 1422 CD2 LEU B 222 6.488 4.042 13.587 1.00 0.00 C ATOM 0 H LEU B 222 11.067 5.036 14.071 1.00 0.00 H new ATOM 0 HA LEU B 222 9.810 3.322 15.799 1.00 0.00 H new ATOM 0 HB2 LEU B 222 8.946 5.539 15.354 1.00 0.00 H new ATOM 0 HB3 LEU B 222 8.743 5.199 13.647 1.00 0.00 H new ATOM 0 HG LEU B 222 7.299 3.317 15.460 1.00 0.00 H new ATOM 0 HD11 LEU B 222 5.456 4.939 15.922 1.00 0.00 H new ATOM 0 HD12 LEU B 222 6.977 5.454 16.689 1.00 0.00 H new ATOM 0 HD13 LEU B 222 6.427 6.238 15.190 1.00 0.00 H new ATOM 0 HD21 LEU B 222 5.476 3.694 13.793 1.00 0.00 H new ATOM 0 HD22 LEU B 222 6.443 4.982 13.037 1.00 0.00 H new ATOM 0 HD23 LEU B 222 7.013 3.297 12.990 1.00 0.00 H new ATOM 1434 N LEU B 223 9.581 2.294 12.713 1.00 0.00 N ATOM 1435 CA LEU B 223 9.168 1.177 11.875 1.00 0.00 C ATOM 1436 C LEU B 223 9.377 -0.146 12.604 1.00 0.00 C ATOM 1437 O LEU B 223 10.182 -0.174 13.520 1.00 0.00 O ATOM 1438 CB LEU B 223 9.966 1.192 10.560 1.00 0.00 C ATOM 1439 CG LEU B 223 11.431 0.721 10.798 1.00 0.00 C ATOM 1440 CD1 LEU B 223 11.597 -0.748 10.380 1.00 0.00 C ATOM 1441 CD2 LEU B 223 12.398 1.576 9.967 1.00 0.00 C ATOM 1442 OXT LEU B 223 8.730 -1.112 12.237 1.00 0.00 O ATOM 0 H LEU B 223 10.175 2.979 12.246 1.00 0.00 H new ATOM 0 HA LEU B 223 8.106 1.280 11.650 1.00 0.00 H new ATOM 0 HB2 LEU B 223 9.484 0.542 9.829 1.00 0.00 H new ATOM 0 HB3 LEU B 223 9.966 2.198 10.141 1.00 0.00 H new ATOM 0 HG LEU B 223 11.654 0.827 11.860 1.00 0.00 H new ATOM 0 HD11 LEU B 223 12.627 -1.061 10.553 1.00 0.00 H new ATOM 0 HD12 LEU B 223 10.924 -1.372 10.968 1.00 0.00 H new ATOM 0 HD13 LEU B 223 11.358 -0.854 9.322 1.00 0.00 H new ATOM 0 HD21 LEU B 223 13.421 1.240 10.139 1.00 0.00 H new ATOM 0 HD22 LEU B 223 12.156 1.475 8.909 1.00 0.00 H new ATOM 0 HD23 LEU B 223 12.305 2.621 10.262 1.00 0.00 H new