USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 517 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 41 MET CE :methyl 169:sc= 0 (180deg=-0.14) USER MOD Single : A 46 SER OG : rot -60:sc= 0.33 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0.0984 X(o=0.098,f=-0.078) USER MOD Single : A 61 GLN : amide:sc= -0.0964 X(o=-0.096,f=-0.096) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot -170:sc= 0.0556 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.579 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 36:sc= 0.32 USER MOD Single : A 87 LYS NZ :NH3+ -156:sc= 0.756 (180deg=0.487) USER MOD Single : A 91 LYS NZ :NH3+ 170:sc= 1.21 (180deg=1.16) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 101 N LEU A 38 -7.505 7.177 -4.668 1.00 0.00 N ATOM 102 CA LEU A 38 -8.353 7.844 -3.695 1.00 0.00 C ATOM 103 C LEU A 38 -8.145 7.152 -2.342 1.00 0.00 C ATOM 104 O LEU A 38 -7.912 7.834 -1.346 1.00 0.00 O ATOM 105 CB LEU A 38 -9.805 7.763 -4.214 1.00 0.00 C ATOM 106 CG LEU A 38 -10.890 8.397 -3.320 1.00 0.00 C ATOM 107 CD1 LEU A 38 -12.096 8.761 -4.187 1.00 0.00 C ATOM 108 CD2 LEU A 38 -11.407 7.464 -2.220 1.00 0.00 C ATOM 0 HA LEU A 38 -8.111 8.898 -3.559 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -9.845 8.243 -5.192 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -10.056 6.713 -4.363 1.00 0.00 H new ATOM 0 HG LEU A 38 -10.423 9.261 -2.846 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -12.870 9.210 -3.564 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -11.791 9.471 -4.955 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -12.489 7.861 -4.660 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -12.167 7.980 -1.633 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -11.841 6.573 -2.673 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -10.581 7.175 -1.570 1.00 0.00 H new ATOM 120 N ILE A 39 -8.203 5.811 -2.340 1.00 0.00 N ATOM 121 CA ILE A 39 -7.941 4.915 -1.202 1.00 0.00 C ATOM 122 C ILE A 39 -6.434 4.754 -0.923 1.00 0.00 C ATOM 123 O ILE A 39 -5.896 5.313 0.034 1.00 0.00 O ATOM 124 CB ILE A 39 -8.660 3.557 -1.406 1.00 0.00 C ATOM 125 CG1 ILE A 39 -10.165 3.811 -1.673 1.00 0.00 C ATOM 126 CG2 ILE A 39 -8.450 2.649 -0.175 1.00 0.00 C ATOM 127 CD1 ILE A 39 -11.026 2.550 -1.711 1.00 0.00 C ATOM 0 H ILE A 39 -8.449 5.292 -3.183 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.357 5.375 -0.306 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.237 3.042 -2.268 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -10.551 4.475 -0.900 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -10.269 4.335 -2.623 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -8.960 1.699 -0.332 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -7.384 2.469 -0.033 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -8.857 3.137 0.711 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -12.064 2.823 -1.903 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -10.672 1.891 -2.504 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -10.958 2.034 -0.753 1.00 0.00 H new ATOM 139 N VAL A 40 -5.729 3.969 -1.752 1.00 0.00 N ATOM 140 CA VAL A 40 -4.345 3.527 -1.487 1.00 0.00 C ATOM 141 C VAL A 40 -3.328 4.669 -1.530 1.00 0.00 C ATOM 142 O VAL A 40 -2.499 4.755 -0.627 1.00 0.00 O ATOM 143 CB VAL A 40 -3.928 2.356 -2.399 1.00 0.00 C ATOM 144 CG1 VAL A 40 -4.690 1.083 -2.002 1.00 0.00 C ATOM 145 CG2 VAL A 40 -4.161 2.612 -3.892 1.00 0.00 C ATOM 0 H VAL A 40 -6.104 3.618 -2.633 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.343 3.159 -0.461 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.854 2.242 -2.254 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -4.389 0.261 -2.652 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.461 0.830 -0.967 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -5.762 1.253 -2.105 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.842 1.741 -4.465 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -5.221 2.794 -4.069 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.586 3.483 -4.206 1.00 0.00 H new ATOM 155 N MET A 41 -3.462 5.610 -2.474 1.00 0.00 N ATOM 156 CA MET A 41 -2.702 6.874 -2.481 1.00 0.00 C ATOM 157 C MET A 41 -2.784 7.631 -1.146 1.00 0.00 C ATOM 158 O MET A 41 -1.893 8.402 -0.798 1.00 0.00 O ATOM 159 CB MET A 41 -3.240 7.792 -3.594 1.00 0.00 C ATOM 160 CG MET A 41 -2.237 8.875 -4.016 1.00 0.00 C ATOM 161 SD MET A 41 -2.889 10.129 -5.153 1.00 0.00 S ATOM 162 CE MET A 41 -4.010 11.034 -4.051 1.00 0.00 C ATOM 0 H MET A 41 -4.104 5.518 -3.261 1.00 0.00 H new ATOM 0 HA MET A 41 -1.658 6.611 -2.652 1.00 0.00 H new ATOM 0 HB2 MET A 41 -3.500 7.187 -4.463 1.00 0.00 H new ATOM 0 HB3 MET A 41 -4.158 8.269 -3.252 1.00 0.00 H new ATOM 0 HG2 MET A 41 -1.869 9.376 -3.121 1.00 0.00 H new ATOM 0 HG3 MET A 41 -1.381 8.391 -4.486 1.00 0.00 H new ATOM 0 HE1 MET A 41 -4.339 11.951 -4.540 1.00 0.00 H new ATOM 0 HE2 MET A 41 -4.876 10.413 -3.823 1.00 0.00 H new ATOM 0 HE3 MET A 41 -3.489 11.283 -3.127 1.00 0.00 H new ATOM 172 N ARG A 42 -3.866 7.429 -0.377 1.00 0.00 N ATOM 173 CA ARG A 42 -4.181 8.228 0.811 1.00 0.00 C ATOM 174 C ARG A 42 -3.844 7.554 2.139 1.00 0.00 C ATOM 175 O ARG A 42 -3.285 8.250 2.981 1.00 0.00 O ATOM 176 CB ARG A 42 -5.661 8.620 0.749 1.00 0.00 C ATOM 177 CG ARG A 42 -6.014 9.740 1.736 1.00 0.00 C ATOM 178 CD ARG A 42 -7.514 10.030 1.717 1.00 0.00 C ATOM 179 NE ARG A 42 -7.981 10.427 0.376 1.00 0.00 N ATOM 180 CZ ARG A 42 -9.132 11.016 0.107 1.00 0.00 C ATOM 181 NH1 ARG A 42 -9.994 11.275 1.036 1.00 0.00 N ATOM 182 NH2 ARG A 42 -9.425 11.365 -1.113 1.00 0.00 N ATOM 0 H ARG A 42 -4.552 6.698 -0.567 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.541 9.110 0.788 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -5.906 8.942 -0.263 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -6.275 7.745 0.963 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.708 9.454 2.742 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.461 10.644 1.480 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -8.059 9.144 2.044 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -7.739 10.824 2.429 1.00 0.00 H new ATOM 0 HE ARG A 42 -7.363 10.230 -0.411 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -9.792 11.023 2.004 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -10.876 11.731 0.801 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -8.764 11.184 -1.868 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -10.316 11.820 -1.313 1.00 0.00 H new ATOM 196 N VAL A 43 -4.147 6.267 2.353 1.00 0.00 N ATOM 197 CA VAL A 43 -3.938 5.675 3.695 1.00 0.00 C ATOM 198 C VAL A 43 -2.467 5.717 4.121 1.00 0.00 C ATOM 199 O VAL A 43 -2.162 6.045 5.260 1.00 0.00 O ATOM 200 CB VAL A 43 -4.549 4.268 3.904 1.00 0.00 C ATOM 201 CG1 VAL A 43 -5.983 4.172 3.370 1.00 0.00 C ATOM 202 CG2 VAL A 43 -3.727 3.081 3.365 1.00 0.00 C ATOM 0 H VAL A 43 -4.523 5.631 1.650 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.510 6.324 4.359 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.540 4.169 4.989 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.368 3.166 3.540 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.613 4.894 3.889 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.988 4.387 2.301 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.255 2.150 3.570 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.590 3.192 2.289 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.753 3.061 3.854 1.00 0.00 H new ATOM 212 N ILE A 44 -1.546 5.439 3.193 1.00 0.00 N ATOM 213 CA ILE A 44 -0.100 5.398 3.463 1.00 0.00 C ATOM 214 C ILE A 44 0.432 6.766 3.865 1.00 0.00 C ATOM 215 O ILE A 44 1.221 6.891 4.801 1.00 0.00 O ATOM 216 CB ILE A 44 0.633 4.894 2.201 1.00 0.00 C ATOM 217 CG1 ILE A 44 0.239 3.428 1.974 1.00 0.00 C ATOM 218 CG2 ILE A 44 2.160 5.027 2.354 1.00 0.00 C ATOM 219 CD1 ILE A 44 0.503 2.916 0.554 1.00 0.00 C ATOM 0 H ILE A 44 -1.783 5.234 2.222 1.00 0.00 H new ATOM 0 HA ILE A 44 0.079 4.719 4.296 1.00 0.00 H new ATOM 0 HB ILE A 44 0.343 5.500 1.342 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.786 2.804 2.680 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.821 3.310 2.199 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.649 4.664 1.450 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.420 6.074 2.512 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.493 4.437 3.208 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.196 1.873 0.481 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.066 3.513 -0.159 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.566 2.998 0.329 1.00 0.00 H new ATOM 231 N TRP A 45 -0.008 7.782 3.122 1.00 0.00 N ATOM 232 CA TRP A 45 0.475 9.154 3.238 1.00 0.00 C ATOM 233 C TRP A 45 0.219 9.744 4.634 1.00 0.00 C ATOM 234 O TRP A 45 0.952 10.624 5.074 1.00 0.00 O ATOM 235 CB TRP A 45 -0.211 9.993 2.143 1.00 0.00 C ATOM 236 CG TRP A 45 0.107 11.453 2.199 1.00 0.00 C ATOM 237 CD1 TRP A 45 -0.499 12.341 3.018 1.00 0.00 C ATOM 238 CD2 TRP A 45 1.180 12.191 1.537 1.00 0.00 C ATOM 239 NE1 TRP A 45 0.177 13.540 2.982 1.00 0.00 N ATOM 240 CE2 TRP A 45 1.217 13.510 2.078 1.00 0.00 C ATOM 241 CE3 TRP A 45 2.148 11.867 0.563 1.00 0.00 C ATOM 242 CZ2 TRP A 45 2.196 14.443 1.705 1.00 0.00 C ATOM 243 CZ3 TRP A 45 3.123 12.803 0.165 1.00 0.00 C ATOM 244 CH2 TRP A 45 3.151 14.085 0.740 1.00 0.00 C ATOM 0 H TRP A 45 -0.727 7.669 2.407 1.00 0.00 H new ATOM 0 HA TRP A 45 1.556 9.168 3.103 1.00 0.00 H new ATOM 0 HB2 TRP A 45 0.083 9.606 1.167 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -1.290 9.864 2.225 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -1.379 12.141 3.611 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -0.062 14.350 3.554 1.00 0.00 H new ATOM 0 HE3 TRP A 45 2.141 10.884 0.115 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 2.215 15.425 2.155 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 3.852 12.534 -0.585 1.00 0.00 H new ATOM 0 HH2 TRP A 45 3.907 14.795 0.440 1.00 0.00 H new ATOM 255 N SER A 46 -0.828 9.280 5.316 1.00 0.00 N ATOM 256 CA SER A 46 -1.299 9.928 6.555 1.00 0.00 C ATOM 257 C SER A 46 -0.457 9.576 7.783 1.00 0.00 C ATOM 258 O SER A 46 -0.242 10.420 8.659 1.00 0.00 O ATOM 259 CB SER A 46 -2.784 9.648 6.765 1.00 0.00 C ATOM 260 OG SER A 46 -3.013 8.302 7.107 1.00 0.00 O ATOM 0 H SER A 46 -1.369 8.461 5.038 1.00 0.00 H new ATOM 0 HA SER A 46 -1.168 11.003 6.428 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.169 10.295 7.553 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.333 9.892 5.856 1.00 0.00 H new ATOM 0 HG SER A 46 -2.689 7.722 6.387 1.00 0.00 H new ATOM 266 N LEU A 47 0.045 8.334 7.828 1.00 0.00 N ATOM 267 CA LEU A 47 1.045 7.859 8.783 1.00 0.00 C ATOM 268 C LEU A 47 2.409 8.505 8.478 1.00 0.00 C ATOM 269 O LEU A 47 2.879 9.386 9.204 1.00 0.00 O ATOM 270 CB LEU A 47 1.168 6.327 8.687 1.00 0.00 C ATOM 271 CG LEU A 47 0.029 5.493 9.295 1.00 0.00 C ATOM 272 CD1 LEU A 47 -1.191 5.334 8.387 1.00 0.00 C ATOM 273 CD2 LEU A 47 0.599 4.103 9.508 1.00 0.00 C ATOM 0 H LEU A 47 -0.248 7.608 7.174 1.00 0.00 H new ATOM 0 HA LEU A 47 0.734 8.135 9.791 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.257 6.060 7.634 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.099 6.032 9.171 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.310 6.001 10.198 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.946 4.732 8.894 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.604 6.316 8.157 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.894 4.840 7.462 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.166 3.458 9.941 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.922 3.692 8.552 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.451 4.159 10.185 1.00 0.00 H new ATOM 285 N GLY A 48 3.022 8.040 7.386 1.00 0.00 N ATOM 286 CA GLY A 48 4.342 8.446 6.877 1.00 0.00 C ATOM 287 C GLY A 48 5.132 7.248 6.336 1.00 0.00 C ATOM 288 O GLY A 48 5.851 7.347 5.345 1.00 0.00 O ATOM 0 H GLY A 48 2.588 7.329 6.797 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.216 9.186 6.087 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.909 8.926 7.675 1.00 0.00 H new ATOM 292 N GLU A 49 4.921 6.081 6.941 1.00 0.00 N ATOM 293 CA GLU A 49 5.349 4.761 6.524 1.00 0.00 C ATOM 294 C GLU A 49 4.180 3.819 6.817 1.00 0.00 C ATOM 295 O GLU A 49 3.456 4.019 7.792 1.00 0.00 O ATOM 296 CB GLU A 49 6.615 4.388 7.327 1.00 0.00 C ATOM 297 CG GLU A 49 6.762 2.903 7.673 1.00 0.00 C ATOM 298 CD GLU A 49 5.954 2.412 8.889 1.00 0.00 C ATOM 299 OE1 GLU A 49 6.094 3.014 9.981 1.00 0.00 O ATOM 300 OE2 GLU A 49 5.247 1.387 8.742 1.00 0.00 O ATOM 0 H GLU A 49 4.397 6.039 7.815 1.00 0.00 H new ATOM 0 HA GLU A 49 5.603 4.704 5.466 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.490 4.699 6.757 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.618 4.961 8.254 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.466 2.316 6.803 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.817 2.695 7.854 1.00 0.00 H new ATOM 307 N ALA A 50 4.024 2.782 5.997 1.00 0.00 N ATOM 308 CA ALA A 50 3.150 1.655 6.279 1.00 0.00 C ATOM 309 C ALA A 50 3.761 0.382 5.676 1.00 0.00 C ATOM 310 O ALA A 50 4.077 0.311 4.483 1.00 0.00 O ATOM 311 CB ALA A 50 1.751 1.945 5.728 1.00 0.00 C ATOM 0 H ALA A 50 4.511 2.704 5.104 1.00 0.00 H new ATOM 0 HA ALA A 50 3.053 1.501 7.354 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.095 1.101 5.939 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.352 2.842 6.202 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.809 2.099 4.651 1.00 0.00 H new ATOM 317 N ARG A 51 3.955 -0.653 6.494 1.00 0.00 N ATOM 318 CA ARG A 51 4.376 -1.987 6.027 1.00 0.00 C ATOM 319 C ARG A 51 3.269 -2.641 5.176 1.00 0.00 C ATOM 320 O ARG A 51 2.108 -2.261 5.287 1.00 0.00 O ATOM 321 CB ARG A 51 4.776 -2.863 7.227 1.00 0.00 C ATOM 322 CG ARG A 51 5.914 -2.204 8.028 1.00 0.00 C ATOM 323 CD ARG A 51 6.876 -3.202 8.690 1.00 0.00 C ATOM 324 NE ARG A 51 6.610 -3.431 10.122 1.00 0.00 N ATOM 325 CZ ARG A 51 5.576 -4.005 10.714 1.00 0.00 C ATOM 326 NH1 ARG A 51 4.583 -4.582 10.092 1.00 0.00 N ATOM 327 NH2 ARG A 51 5.526 -4.012 12.012 1.00 0.00 N ATOM 0 H ARG A 51 3.826 -0.596 7.504 1.00 0.00 H new ATOM 0 HA ARG A 51 5.251 -1.882 5.386 1.00 0.00 H new ATOM 0 HB2 ARG A 51 3.912 -3.019 7.874 1.00 0.00 H new ATOM 0 HB3 ARG A 51 5.093 -3.845 6.877 1.00 0.00 H new ATOM 0 HG2 ARG A 51 6.483 -1.554 7.363 1.00 0.00 H new ATOM 0 HG3 ARG A 51 5.480 -1.568 8.800 1.00 0.00 H new ATOM 0 HD2 ARG A 51 6.815 -4.154 8.163 1.00 0.00 H new ATOM 0 HD3 ARG A 51 7.897 -2.838 8.574 1.00 0.00 H new ATOM 0 HE ARG A 51 7.336 -3.094 10.754 1.00 0.00 H new ATOM 0 HH11 ARG A 51 4.568 -4.612 9.073 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.822 -5.002 10.626 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.275 -3.580 12.554 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.738 -4.449 12.490 1.00 0.00 H new ATOM 341 N VAL A 52 3.587 -3.650 4.360 1.00 0.00 N ATOM 342 CA VAL A 52 2.625 -4.349 3.483 1.00 0.00 C ATOM 343 C VAL A 52 1.384 -4.887 4.182 1.00 0.00 C ATOM 344 O VAL A 52 0.264 -4.884 3.667 1.00 0.00 O ATOM 345 CB VAL A 52 3.288 -5.425 2.608 1.00 0.00 C ATOM 346 CG1 VAL A 52 4.665 -5.838 3.129 1.00 0.00 C ATOM 347 CG2 VAL A 52 2.422 -6.667 2.422 1.00 0.00 C ATOM 0 H VAL A 52 4.536 -4.016 4.284 1.00 0.00 H new ATOM 0 HA VAL A 52 2.261 -3.560 2.825 1.00 0.00 H new ATOM 0 HB VAL A 52 3.410 -4.950 1.634 1.00 0.00 H new ATOM 0 HG11 VAL A 52 5.088 -6.600 2.474 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.323 -4.969 3.147 1.00 0.00 H new ATOM 0 HG13 VAL A 52 4.567 -6.240 4.137 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.948 -7.387 1.795 1.00 0.00 H new ATOM 0 HG22 VAL A 52 2.215 -7.115 3.394 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.483 -6.388 1.944 1.00 0.00 H new ATOM 357 N ASP A 53 1.635 -5.471 5.330 1.00 0.00 N ATOM 358 CA ASP A 53 0.644 -6.064 6.188 1.00 0.00 C ATOM 359 C ASP A 53 -0.196 -5.006 6.919 1.00 0.00 C ATOM 360 O ASP A 53 -1.331 -5.276 7.293 1.00 0.00 O ATOM 361 CB ASP A 53 1.392 -7.115 7.014 1.00 0.00 C ATOM 362 CG ASP A 53 2.525 -6.602 7.921 1.00 0.00 C ATOM 363 OD1 ASP A 53 3.328 -5.735 7.498 1.00 0.00 O ATOM 364 OD2 ASP A 53 2.726 -7.194 9.003 1.00 0.00 O ATOM 0 H ASP A 53 2.580 -5.548 5.706 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.152 -6.588 5.659 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.667 -7.637 7.638 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.812 -7.851 6.329 1.00 0.00 H new ATOM 369 N GLU A 54 0.329 -3.783 7.053 1.00 0.00 N ATOM 370 CA GLU A 54 -0.392 -2.600 7.542 1.00 0.00 C ATOM 371 C GLU A 54 -1.295 -1.908 6.505 1.00 0.00 C ATOM 372 O GLU A 54 -2.426 -1.519 6.787 1.00 0.00 O ATOM 373 CB GLU A 54 0.628 -1.575 8.045 1.00 0.00 C ATOM 374 CG GLU A 54 0.508 -1.275 9.549 1.00 0.00 C ATOM 375 CD GLU A 54 -0.870 -0.792 10.044 1.00 0.00 C ATOM 376 OE1 GLU A 54 -1.772 -1.637 10.263 1.00 0.00 O ATOM 377 OE2 GLU A 54 -0.965 0.414 10.354 1.00 0.00 O ATOM 0 H GLU A 54 1.300 -3.582 6.816 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.053 -2.964 8.328 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.633 -1.941 7.835 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.504 -0.647 7.487 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.771 -2.178 10.100 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.248 -0.517 9.806 1.00 0.00 H new ATOM 384 N ILE A 55 -0.794 -1.728 5.278 1.00 0.00 N ATOM 385 CA ILE A 55 -1.560 -1.123 4.170 1.00 0.00 C ATOM 386 C ILE A 55 -2.792 -1.950 3.821 1.00 0.00 C ATOM 387 O ILE A 55 -3.879 -1.398 3.684 1.00 0.00 O ATOM 388 CB ILE A 55 -0.711 -0.869 2.914 1.00 0.00 C ATOM 389 CG1 ILE A 55 0.084 -2.111 2.523 1.00 0.00 C ATOM 390 CG2 ILE A 55 0.259 0.268 3.170 1.00 0.00 C ATOM 391 CD1 ILE A 55 1.281 -1.872 1.614 1.00 0.00 C ATOM 0 H ILE A 55 0.155 -1.997 5.019 1.00 0.00 H new ATOM 0 HA ILE A 55 -1.885 -0.149 4.536 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.390 -0.613 2.100 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.434 -2.597 3.434 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.590 -2.810 2.028 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.858 0.443 2.276 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.297 1.172 3.417 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.915 0.007 4.001 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.771 -2.822 1.401 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.945 -1.420 0.681 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.985 -1.203 2.108 1.00 0.00 H new ATOM 403 N TYR A 56 -2.643 -3.271 3.753 1.00 0.00 N ATOM 404 CA TYR A 56 -3.770 -4.189 3.686 1.00 0.00 C ATOM 405 C TYR A 56 -4.720 -4.095 4.887 1.00 0.00 C ATOM 406 O TYR A 56 -5.937 -4.142 4.731 1.00 0.00 O ATOM 407 CB TYR A 56 -3.180 -5.585 3.578 1.00 0.00 C ATOM 408 CG TYR A 56 -4.219 -6.675 3.680 1.00 0.00 C ATOM 409 CD1 TYR A 56 -5.318 -6.688 2.803 1.00 0.00 C ATOM 410 CD2 TYR A 56 -4.098 -7.645 4.686 1.00 0.00 C ATOM 411 CE1 TYR A 56 -6.326 -7.661 2.948 1.00 0.00 C ATOM 412 CE2 TYR A 56 -5.128 -8.596 4.873 1.00 0.00 C ATOM 413 CZ TYR A 56 -6.244 -8.606 3.996 1.00 0.00 C ATOM 414 OH TYR A 56 -7.222 -9.541 4.130 1.00 0.00 O ATOM 0 H TYR A 56 -1.734 -3.733 3.743 1.00 0.00 H new ATOM 0 HA TYR A 56 -4.387 -3.932 2.825 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -2.655 -5.679 2.627 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -2.439 -5.722 4.366 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -5.389 -5.951 2.017 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -3.221 -7.666 5.316 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -7.159 -7.685 2.261 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -5.066 -9.311 5.680 1.00 0.00 H new ATOM 0 HH TYR A 56 -7.021 -10.118 4.896 1.00 0.00 H new ATOM 424 N ALA A 57 -4.176 -3.905 6.092 1.00 0.00 N ATOM 425 CA ALA A 57 -4.983 -3.770 7.307 1.00 0.00 C ATOM 426 C ALA A 57 -5.864 -2.507 7.313 1.00 0.00 C ATOM 427 O ALA A 57 -6.770 -2.397 8.139 1.00 0.00 O ATOM 428 CB ALA A 57 -4.078 -3.762 8.536 1.00 0.00 C ATOM 0 H ALA A 57 -3.171 -3.841 6.252 1.00 0.00 H new ATOM 0 HA ALA A 57 -5.653 -4.629 7.331 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -4.686 -3.661 9.435 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.516 -4.695 8.580 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.384 -2.924 8.472 1.00 0.00 H new ATOM 434 N GLN A 58 -5.613 -1.569 6.399 1.00 0.00 N ATOM 435 CA GLN A 58 -6.398 -0.355 6.263 1.00 0.00 C ATOM 436 C GLN A 58 -7.621 -0.513 5.334 1.00 0.00 C ATOM 437 O GLN A 58 -8.385 0.438 5.161 1.00 0.00 O ATOM 438 CB GLN A 58 -5.402 0.689 5.735 1.00 0.00 C ATOM 439 CG GLN A 58 -5.191 1.869 6.665 1.00 0.00 C ATOM 440 CD GLN A 58 -4.835 1.527 8.101 1.00 0.00 C ATOM 441 OE1 GLN A 58 -5.475 2.005 9.030 1.00 0.00 O ATOM 442 NE2 GLN A 58 -3.830 0.708 8.318 1.00 0.00 N ATOM 0 H GLN A 58 -4.848 -1.638 5.727 1.00 0.00 H new ATOM 0 HA GLN A 58 -6.842 -0.065 7.216 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -4.442 0.203 5.558 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -5.755 1.058 4.772 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.398 2.494 6.254 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -6.100 2.470 6.670 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -3.309 0.320 7.531 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -3.571 0.460 9.273 1.00 0.00 H new ATOM 451 N ILE A 59 -7.801 -1.684 4.710 1.00 0.00 N ATOM 452 CA ILE A 59 -8.756 -1.935 3.618 1.00 0.00 C ATOM 453 C ILE A 59 -10.029 -2.676 4.114 1.00 0.00 C ATOM 454 O ILE A 59 -9.941 -3.843 4.494 1.00 0.00 O ATOM 455 CB ILE A 59 -7.992 -2.685 2.506 1.00 0.00 C ATOM 456 CG1 ILE A 59 -6.867 -1.739 2.017 1.00 0.00 C ATOM 457 CG2 ILE A 59 -8.869 -3.129 1.332 1.00 0.00 C ATOM 458 CD1 ILE A 59 -5.991 -2.292 0.911 1.00 0.00 C ATOM 0 H ILE A 59 -7.266 -2.516 4.960 1.00 0.00 H new ATOM 0 HA ILE A 59 -9.140 -0.998 3.215 1.00 0.00 H new ATOM 0 HB ILE A 59 -7.599 -3.613 2.922 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -7.321 -0.811 1.669 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.234 -1.485 2.867 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -8.256 -3.648 0.595 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -9.648 -3.800 1.693 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -9.329 -2.255 0.870 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -5.236 -1.553 0.641 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.501 -3.203 1.256 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -6.605 -2.518 0.039 1.00 0.00 H new ATOM 470 N PRO A 60 -11.206 -2.012 4.155 1.00 0.00 N ATOM 471 CA PRO A 60 -12.446 -2.579 4.701 1.00 0.00 C ATOM 472 C PRO A 60 -13.243 -3.459 3.713 1.00 0.00 C ATOM 473 O PRO A 60 -13.103 -3.384 2.490 1.00 0.00 O ATOM 474 CB PRO A 60 -13.278 -1.355 5.112 1.00 0.00 C ATOM 475 CG PRO A 60 -12.887 -0.309 4.072 1.00 0.00 C ATOM 476 CD PRO A 60 -11.400 -0.592 3.876 1.00 0.00 C ATOM 0 HA PRO A 60 -12.210 -3.256 5.522 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -14.347 -1.567 5.089 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -13.040 -1.027 6.124 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -13.449 -0.425 3.146 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -13.065 0.706 4.428 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -11.090 -0.351 2.859 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -10.797 0.021 4.546 1.00 0.00 H new ATOM 484 N GLN A 61 -14.165 -4.253 4.280 1.00 0.00 N ATOM 485 CA GLN A 61 -15.006 -5.230 3.570 1.00 0.00 C ATOM 486 C GLN A 61 -15.790 -4.631 2.383 1.00 0.00 C ATOM 487 O GLN A 61 -15.866 -5.256 1.341 1.00 0.00 O ATOM 488 CB GLN A 61 -15.956 -5.932 4.570 1.00 0.00 C ATOM 489 CG GLN A 61 -16.145 -7.441 4.321 1.00 0.00 C ATOM 490 CD GLN A 61 -16.629 -7.782 2.914 1.00 0.00 C ATOM 491 OE1 GLN A 61 -17.680 -7.348 2.458 1.00 0.00 O ATOM 492 NE2 GLN A 61 -15.867 -8.548 2.162 1.00 0.00 N ATOM 0 H GLN A 61 -14.352 -4.231 5.282 1.00 0.00 H new ATOM 0 HA GLN A 61 -14.331 -5.964 3.129 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -15.570 -5.789 5.579 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -16.930 -5.445 4.529 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -15.198 -7.950 4.502 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -16.860 -7.832 5.045 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -14.990 -8.915 2.532 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -16.154 -8.775 1.210 1.00 0.00 H new ATOM 501 N GLU A 62 -16.319 -3.406 2.498 1.00 0.00 N ATOM 502 CA GLU A 62 -17.182 -2.754 1.481 1.00 0.00 C ATOM 503 C GLU A 62 -16.607 -2.682 0.045 1.00 0.00 C ATOM 504 O GLU A 62 -17.307 -2.268 -0.884 1.00 0.00 O ATOM 505 CB GLU A 62 -17.529 -1.321 1.925 1.00 0.00 C ATOM 506 CG GLU A 62 -18.308 -1.248 3.242 1.00 0.00 C ATOM 507 CD GLU A 62 -18.973 0.129 3.415 1.00 0.00 C ATOM 508 OE1 GLU A 62 -18.320 1.171 3.171 1.00 0.00 O ATOM 509 OE2 GLU A 62 -20.155 0.171 3.828 1.00 0.00 O ATOM 0 H GLU A 62 -16.160 -2.819 3.317 1.00 0.00 H new ATOM 0 HA GLU A 62 -18.057 -3.401 1.426 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -16.606 -0.750 2.029 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -18.115 -0.841 1.141 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -19.069 -2.028 3.262 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -17.635 -1.438 4.078 1.00 0.00 H new ATOM 516 N LEU A 63 -15.294 -2.918 -0.092 1.00 0.00 N ATOM 517 CA LEU A 63 -14.519 -2.847 -1.326 1.00 0.00 C ATOM 518 C LEU A 63 -14.511 -4.183 -2.038 1.00 0.00 C ATOM 519 O LEU A 63 -14.286 -4.237 -3.239 1.00 0.00 O ATOM 520 CB LEU A 63 -13.087 -2.403 -1.016 1.00 0.00 C ATOM 521 CG LEU A 63 -13.032 -1.134 -0.133 1.00 0.00 C ATOM 522 CD1 LEU A 63 -11.574 -0.866 0.141 1.00 0.00 C ATOM 523 CD2 LEU A 63 -13.650 0.032 -0.875 1.00 0.00 C ATOM 0 H LEU A 63 -14.716 -3.179 0.707 1.00 0.00 H new ATOM 0 HA LEU A 63 -14.986 -2.116 -1.985 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -12.561 -3.214 -0.512 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -12.560 -2.213 -1.951 1.00 0.00 H new ATOM 0 HG LEU A 63 -13.585 -1.269 0.796 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.478 0.024 0.763 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -11.138 -1.720 0.659 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.050 -0.707 -0.801 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -13.609 0.924 -0.250 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -13.098 0.210 -1.798 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -14.689 -0.197 -1.113 1.00 0.00 H new ATOM 535 N GLU A 64 -14.696 -5.229 -1.257 1.00 0.00 N ATOM 536 CA GLU A 64 -14.587 -6.659 -1.656 1.00 0.00 C ATOM 537 C GLU A 64 -13.199 -7.138 -2.193 1.00 0.00 C ATOM 538 O GLU A 64 -13.056 -8.128 -2.926 1.00 0.00 O ATOM 539 CB GLU A 64 -15.718 -7.064 -2.628 1.00 0.00 C ATOM 540 CG GLU A 64 -17.110 -6.712 -2.102 1.00 0.00 C ATOM 541 CD GLU A 64 -18.230 -7.299 -2.961 1.00 0.00 C ATOM 542 OE1 GLU A 64 -17.997 -7.712 -4.125 1.00 0.00 O ATOM 543 OE2 GLU A 64 -19.372 -7.370 -2.440 1.00 0.00 O ATOM 0 H GLU A 64 -14.940 -5.122 -0.272 1.00 0.00 H new ATOM 0 HA GLU A 64 -14.698 -7.186 -0.709 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -15.561 -6.569 -3.586 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -15.665 -8.137 -2.812 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -17.211 -7.078 -1.080 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -17.216 -5.628 -2.064 1.00 0.00 H new ATOM 550 N TRP A 65 -12.127 -6.436 -1.830 1.00 0.00 N ATOM 551 CA TRP A 65 -10.755 -6.723 -2.251 1.00 0.00 C ATOM 552 C TRP A 65 -10.225 -8.009 -1.601 1.00 0.00 C ATOM 553 O TRP A 65 -10.736 -8.499 -0.596 1.00 0.00 O ATOM 554 CB TRP A 65 -9.839 -5.530 -1.917 1.00 0.00 C ATOM 555 CG TRP A 65 -9.971 -4.288 -2.758 1.00 0.00 C ATOM 556 CD1 TRP A 65 -11.028 -3.933 -3.522 1.00 0.00 C ATOM 557 CD2 TRP A 65 -8.998 -3.208 -2.930 1.00 0.00 C ATOM 558 NE1 TRP A 65 -10.802 -2.705 -4.113 1.00 0.00 N ATOM 559 CE2 TRP A 65 -9.564 -2.210 -3.781 1.00 0.00 C ATOM 560 CE3 TRP A 65 -7.692 -2.964 -2.446 1.00 0.00 C ATOM 561 CZ2 TRP A 65 -8.886 -1.029 -4.114 1.00 0.00 C ATOM 562 CZ3 TRP A 65 -6.996 -1.785 -2.785 1.00 0.00 C ATOM 563 CH2 TRP A 65 -7.598 -0.813 -3.603 1.00 0.00 C ATOM 0 H TRP A 65 -12.191 -5.625 -1.215 1.00 0.00 H new ATOM 0 HA TRP A 65 -10.758 -6.877 -3.330 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -10.016 -5.252 -0.878 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -8.806 -5.872 -1.984 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -11.922 -4.525 -3.652 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -11.469 -2.227 -4.719 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -7.219 -3.693 -1.805 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -9.350 -0.295 -4.756 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -5.994 -1.628 -2.414 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -7.069 0.099 -3.838 1.00 0.00 H new ATOM 574 N SER A 66 -9.138 -8.513 -2.177 1.00 0.00 N ATOM 575 CA SER A 66 -8.318 -9.597 -1.643 1.00 0.00 C ATOM 576 C SER A 66 -6.949 -9.019 -1.279 1.00 0.00 C ATOM 577 O SER A 66 -6.540 -8.002 -1.844 1.00 0.00 O ATOM 578 CB SER A 66 -8.189 -10.691 -2.716 1.00 0.00 C ATOM 579 OG SER A 66 -7.312 -11.729 -2.315 1.00 0.00 O ATOM 0 H SER A 66 -8.789 -8.162 -3.069 1.00 0.00 H new ATOM 0 HA SER A 66 -8.768 -10.038 -0.753 1.00 0.00 H new ATOM 0 HB2 SER A 66 -9.173 -11.109 -2.927 1.00 0.00 H new ATOM 0 HB3 SER A 66 -7.826 -10.248 -3.643 1.00 0.00 H new ATOM 0 HG SER A 66 -7.259 -12.404 -3.023 1.00 0.00 H new ATOM 585 N LEU A 67 -6.182 -9.662 -0.391 1.00 0.00 N ATOM 586 CA LEU A 67 -4.801 -9.289 -0.124 1.00 0.00 C ATOM 587 C LEU A 67 -3.949 -9.234 -1.401 1.00 0.00 C ATOM 588 O LEU A 67 -3.108 -8.350 -1.570 1.00 0.00 O ATOM 589 CB LEU A 67 -4.236 -10.300 0.873 1.00 0.00 C ATOM 590 CG LEU A 67 -3.316 -9.707 1.946 1.00 0.00 C ATOM 591 CD1 LEU A 67 -2.301 -10.773 2.311 1.00 0.00 C ATOM 592 CD2 LEU A 67 -2.567 -8.446 1.534 1.00 0.00 C ATOM 0 H LEU A 67 -6.508 -10.456 0.160 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.773 -8.281 0.290 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.067 -10.804 1.366 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.683 -11.061 0.322 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.955 -9.408 2.777 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.626 -10.387 3.075 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.819 -11.652 2.695 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.728 -11.048 1.426 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.944 -8.106 2.361 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.937 -8.662 0.671 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.283 -7.666 1.274 1.00 0.00 H new ATOM 604 N ALA A 68 -4.226 -10.141 -2.345 1.00 0.00 N ATOM 605 CA ALA A 68 -3.607 -10.153 -3.664 1.00 0.00 C ATOM 606 C ALA A 68 -3.789 -8.810 -4.397 1.00 0.00 C ATOM 607 O ALA A 68 -2.832 -8.317 -5.002 1.00 0.00 O ATOM 608 CB ALA A 68 -4.194 -11.327 -4.459 1.00 0.00 C ATOM 0 H ALA A 68 -4.897 -10.896 -2.206 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.530 -10.287 -3.561 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -3.744 -11.355 -5.451 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.983 -12.261 -3.938 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.272 -11.200 -4.553 1.00 0.00 H new ATOM 614 N THR A 69 -4.970 -8.185 -4.289 1.00 0.00 N ATOM 615 CA THR A 69 -5.313 -6.920 -4.956 1.00 0.00 C ATOM 616 C THR A 69 -4.428 -5.770 -4.515 1.00 0.00 C ATOM 617 O THR A 69 -3.804 -5.122 -5.353 1.00 0.00 O ATOM 618 CB THR A 69 -6.765 -6.491 -4.690 1.00 0.00 C ATOM 619 OG1 THR A 69 -7.664 -7.543 -4.944 1.00 0.00 O ATOM 620 CG2 THR A 69 -7.103 -5.337 -5.632 1.00 0.00 C ATOM 0 H THR A 69 -5.733 -8.554 -3.721 1.00 0.00 H new ATOM 0 HA THR A 69 -5.165 -7.125 -6.016 1.00 0.00 H new ATOM 0 HB THR A 69 -6.856 -6.198 -3.644 1.00 0.00 H new ATOM 0 HG1 THR A 69 -8.582 -7.201 -4.921 1.00 0.00 H new ATOM 0 HG21 THR A 69 -8.130 -5.016 -5.460 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.426 -4.504 -5.444 1.00 0.00 H new ATOM 0 HG23 THR A 69 -6.994 -5.667 -6.665 1.00 0.00 H new ATOM 628 N VAL A 70 -4.323 -5.495 -3.211 1.00 0.00 N ATOM 629 CA VAL A 70 -3.545 -4.346 -2.778 1.00 0.00 C ATOM 630 C VAL A 70 -2.078 -4.477 -3.160 1.00 0.00 C ATOM 631 O VAL A 70 -1.505 -3.549 -3.725 1.00 0.00 O ATOM 632 CB VAL A 70 -3.741 -4.056 -1.282 1.00 0.00 C ATOM 633 CG1 VAL A 70 -3.224 -5.128 -0.326 1.00 0.00 C ATOM 634 CG2 VAL A 70 -3.042 -2.743 -0.966 1.00 0.00 C ATOM 0 H VAL A 70 -4.755 -6.037 -2.463 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.926 -3.477 -3.315 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.818 -4.024 -1.120 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.414 -4.821 0.702 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.736 -6.070 -0.524 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.152 -5.260 -0.473 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.165 -2.511 0.092 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.981 -2.831 -1.198 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.479 -1.945 -1.566 1.00 0.00 H new ATOM 644 N LYS A 71 -1.488 -5.647 -2.927 1.00 0.00 N ATOM 645 CA LYS A 71 -0.074 -5.910 -3.226 1.00 0.00 C ATOM 646 C LYS A 71 0.237 -5.731 -4.701 1.00 0.00 C ATOM 647 O LYS A 71 1.249 -5.133 -5.071 1.00 0.00 O ATOM 648 CB LYS A 71 0.287 -7.326 -2.771 1.00 0.00 C ATOM 649 CG LYS A 71 0.201 -7.469 -1.253 1.00 0.00 C ATOM 650 CD LYS A 71 0.740 -8.849 -0.874 1.00 0.00 C ATOM 651 CE LYS A 71 0.646 -9.130 0.634 1.00 0.00 C ATOM 652 NZ LYS A 71 1.604 -10.188 1.041 1.00 0.00 N ATOM 0 H LYS A 71 -1.976 -6.446 -2.523 1.00 0.00 H new ATOM 0 HA LYS A 71 0.529 -5.184 -2.682 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -0.385 -8.043 -3.243 1.00 0.00 H new ATOM 0 HB3 LYS A 71 1.296 -7.569 -3.103 1.00 0.00 H new ATOM 0 HG2 LYS A 71 0.781 -6.686 -0.764 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -0.830 -7.358 -0.918 1.00 0.00 H new ATOM 0 HD2 LYS A 71 0.184 -9.613 -1.417 1.00 0.00 H new ATOM 0 HD3 LYS A 71 1.780 -8.927 -1.190 1.00 0.00 H new ATOM 0 HE2 LYS A 71 0.851 -8.216 1.191 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -0.369 -9.437 0.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 1.520 -10.358 2.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 1.391 -11.066 0.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 2.573 -9.883 0.820 1.00 0.00 H new ATOM 666 N THR A 72 -0.666 -6.218 -5.552 1.00 0.00 N ATOM 667 CA THR A 72 -0.513 -6.064 -7.006 1.00 0.00 C ATOM 668 C THR A 72 -0.735 -4.622 -7.490 1.00 0.00 C ATOM 669 O THR A 72 -0.007 -4.190 -8.379 1.00 0.00 O ATOM 670 CB THR A 72 -1.338 -7.094 -7.796 1.00 0.00 C ATOM 671 OG1 THR A 72 -0.810 -7.245 -9.099 1.00 0.00 O ATOM 672 CG2 THR A 72 -2.817 -6.762 -7.921 1.00 0.00 C ATOM 0 H THR A 72 -1.507 -6.720 -5.266 1.00 0.00 H new ATOM 0 HA THR A 72 0.533 -6.282 -7.220 1.00 0.00 H new ATOM 0 HB THR A 72 -1.264 -8.015 -7.218 1.00 0.00 H new ATOM 0 HG1 THR A 72 -1.341 -7.904 -9.593 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.318 -7.543 -8.493 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.261 -6.698 -6.927 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.933 -5.806 -8.432 1.00 0.00 H new ATOM 680 N LEU A 73 -1.636 -3.850 -6.869 1.00 0.00 N ATOM 681 CA LEU A 73 -1.974 -2.472 -7.239 1.00 0.00 C ATOM 682 C LEU A 73 -0.856 -1.513 -6.801 1.00 0.00 C ATOM 683 O LEU A 73 -0.380 -0.682 -7.580 1.00 0.00 O ATOM 684 CB LEU A 73 -3.318 -2.209 -6.535 1.00 0.00 C ATOM 685 CG LEU A 73 -4.133 -0.976 -6.930 1.00 0.00 C ATOM 686 CD1 LEU A 73 -5.282 -0.863 -5.934 1.00 0.00 C ATOM 687 CD2 LEU A 73 -3.321 0.305 -6.875 1.00 0.00 C ATOM 0 H LEU A 73 -2.169 -4.182 -6.065 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.066 -2.315 -8.314 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.948 -3.084 -6.692 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.122 -2.145 -5.465 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.474 -1.098 -7.958 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.892 0.007 -6.179 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.896 -1.762 -5.983 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.881 -0.753 -4.927 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.950 1.147 -7.165 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.953 0.459 -5.861 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.476 0.230 -7.560 1.00 0.00 H new ATOM 699 N LEU A 74 -0.332 -1.701 -5.585 1.00 0.00 N ATOM 700 CA LEU A 74 0.869 -1.018 -5.099 1.00 0.00 C ATOM 701 C LEU A 74 1.996 -1.113 -6.100 1.00 0.00 C ATOM 702 O LEU A 74 2.553 -0.112 -6.514 1.00 0.00 O ATOM 703 CB LEU A 74 1.366 -1.729 -3.847 1.00 0.00 C ATOM 704 CG LEU A 74 0.578 -1.352 -2.612 1.00 0.00 C ATOM 705 CD1 LEU A 74 1.077 -2.250 -1.507 1.00 0.00 C ATOM 706 CD2 LEU A 74 0.848 0.092 -2.230 1.00 0.00 C ATOM 0 H LEU A 74 -0.737 -2.341 -4.902 1.00 0.00 H new ATOM 0 HA LEU A 74 0.605 0.024 -4.918 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.305 -2.807 -3.997 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.417 -1.488 -3.690 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.492 -1.463 -2.786 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.542 -2.024 -0.585 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.906 -3.291 -1.779 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.144 -2.085 -1.358 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.273 0.346 -1.340 1.00 0.00 H new ATOM 0 HD22 LEU A 74 1.911 0.222 -2.025 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.554 0.746 -3.051 1.00 0.00 H new ATOM 718 N GLY A 75 2.215 -2.337 -6.557 1.00 0.00 N ATOM 719 CA GLY A 75 3.184 -2.698 -7.590 1.00 0.00 C ATOM 720 C GLY A 75 3.049 -1.876 -8.878 1.00 0.00 C ATOM 721 O GLY A 75 4.033 -1.731 -9.596 1.00 0.00 O ATOM 0 H GLY A 75 1.701 -3.144 -6.204 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.191 -2.570 -7.192 1.00 0.00 H new ATOM 0 HA3 GLY A 75 3.068 -3.755 -7.830 1.00 0.00 H new ATOM 725 N ARG A 76 1.856 -1.340 -9.160 1.00 0.00 N ATOM 726 CA ARG A 76 1.571 -0.360 -10.220 1.00 0.00 C ATOM 727 C ARG A 76 1.952 1.053 -9.793 1.00 0.00 C ATOM 728 O ARG A 76 2.646 1.715 -10.559 1.00 0.00 O ATOM 729 CB ARG A 76 0.085 -0.354 -10.628 1.00 0.00 C ATOM 730 CG ARG A 76 -0.536 -1.742 -10.856 1.00 0.00 C ATOM 731 CD ARG A 76 -0.246 -2.345 -12.246 1.00 0.00 C ATOM 732 NE ARG A 76 0.237 -3.741 -12.175 1.00 0.00 N ATOM 733 CZ ARG A 76 -0.319 -4.754 -11.526 1.00 0.00 C ATOM 734 NH1 ARG A 76 -1.546 -4.759 -11.087 1.00 0.00 N ATOM 735 NH2 ARG A 76 0.360 -5.839 -11.298 1.00 0.00 N ATOM 0 H ARG A 76 1.021 -1.589 -8.630 1.00 0.00 H new ATOM 0 HA ARG A 76 2.175 -0.667 -11.074 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -0.486 0.159 -9.854 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -0.022 0.229 -11.543 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -0.163 -2.424 -10.092 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.615 -1.671 -10.721 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.153 -2.309 -12.849 1.00 0.00 H new ATOM 0 HD3 ARG A 76 0.499 -1.733 -12.754 1.00 0.00 H new ATOM 0 HE ARG A 76 1.096 -3.948 -12.684 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -2.144 -3.946 -11.236 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -1.908 -5.576 -10.595 1.00 0.00 H new ATOM 0 HH21 ARG A 76 1.325 -5.913 -11.619 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -0.073 -6.616 -10.798 1.00 0.00 H new ATOM 749 N LEU A 77 1.549 1.492 -8.585 1.00 0.00 N ATOM 750 CA LEU A 77 1.917 2.835 -8.092 1.00 0.00 C ATOM 751 C LEU A 77 3.436 3.024 -8.094 1.00 0.00 C ATOM 752 O LEU A 77 3.967 3.950 -8.697 1.00 0.00 O ATOM 753 CB LEU A 77 1.418 3.060 -6.650 1.00 0.00 C ATOM 754 CG LEU A 77 0.034 2.515 -6.302 1.00 0.00 C ATOM 755 CD1 LEU A 77 -0.271 2.829 -4.851 1.00 0.00 C ATOM 756 CD2 LEU A 77 -1.028 3.047 -7.236 1.00 0.00 C ATOM 0 H LEU A 77 0.977 0.946 -7.940 1.00 0.00 H new ATOM 0 HA LEU A 77 1.446 3.552 -8.764 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.140 2.611 -5.968 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.419 4.132 -6.455 1.00 0.00 H new ATOM 0 HG LEU A 77 0.032 1.433 -6.434 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.258 2.443 -4.595 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.479 2.362 -4.212 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.253 3.908 -4.701 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.998 2.636 -6.956 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.061 4.134 -7.168 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.792 2.755 -8.259 1.00 0.00 H new ATOM 768 N VAL A 78 4.112 2.068 -7.456 1.00 0.00 N ATOM 769 CA VAL A 78 5.576 2.073 -7.269 1.00 0.00 C ATOM 770 C VAL A 78 6.382 1.935 -8.575 1.00 0.00 C ATOM 771 O VAL A 78 7.544 2.329 -8.613 1.00 0.00 O ATOM 772 CB VAL A 78 6.116 1.208 -6.090 1.00 0.00 C ATOM 773 CG1 VAL A 78 5.086 0.625 -5.104 1.00 0.00 C ATOM 774 CG2 VAL A 78 6.996 0.020 -6.506 1.00 0.00 C ATOM 0 H VAL A 78 3.657 1.253 -7.046 1.00 0.00 H new ATOM 0 HA VAL A 78 5.768 3.090 -6.927 1.00 0.00 H new ATOM 0 HB VAL A 78 6.691 1.985 -5.586 1.00 0.00 H new ATOM 0 HG11 VAL A 78 5.603 0.047 -4.338 1.00 0.00 H new ATOM 0 HG12 VAL A 78 4.532 1.437 -4.634 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.394 -0.023 -5.642 1.00 0.00 H new ATOM 0 HG21 VAL A 78 7.323 -0.520 -5.617 1.00 0.00 H new ATOM 0 HG22 VAL A 78 6.423 -0.650 -7.147 1.00 0.00 H new ATOM 0 HG23 VAL A 78 7.868 0.385 -7.049 1.00 0.00 H new ATOM 784 N LYS A 79 5.822 1.320 -9.633 1.00 0.00 N ATOM 785 CA LYS A 79 6.453 1.298 -10.973 1.00 0.00 C ATOM 786 C LYS A 79 6.321 2.597 -11.768 1.00 0.00 C ATOM 787 O LYS A 79 7.162 2.862 -12.623 1.00 0.00 O ATOM 788 CB LYS A 79 5.920 0.130 -11.816 1.00 0.00 C ATOM 789 CG LYS A 79 7.014 -0.881 -12.081 1.00 0.00 C ATOM 790 CD LYS A 79 7.514 -1.629 -10.835 1.00 0.00 C ATOM 791 CE LYS A 79 6.647 -2.875 -10.641 1.00 0.00 C ATOM 792 NZ LYS A 79 6.880 -3.538 -9.333 1.00 0.00 N ATOM 0 H LYS A 79 4.929 0.828 -9.589 1.00 0.00 H new ATOM 0 HA LYS A 79 7.516 1.169 -10.770 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.091 -0.351 -11.297 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.529 0.506 -12.761 1.00 0.00 H new ATOM 0 HG2 LYS A 79 6.648 -1.611 -12.803 1.00 0.00 H new ATOM 0 HG3 LYS A 79 7.858 -0.370 -12.544 1.00 0.00 H new ATOM 0 HD2 LYS A 79 8.560 -1.910 -10.955 1.00 0.00 H new ATOM 0 HD3 LYS A 79 7.456 -0.986 -9.957 1.00 0.00 H new ATOM 0 HE2 LYS A 79 5.596 -2.597 -10.721 1.00 0.00 H new ATOM 0 HE3 LYS A 79 6.851 -3.583 -11.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 6.268 -4.375 -9.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 7.876 -3.830 -9.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 6.660 -2.874 -8.563 1.00 0.00 H new ATOM 806 N LYS A 80 5.255 3.356 -11.514 1.00 0.00 N ATOM 807 CA LYS A 80 5.130 4.745 -11.987 1.00 0.00 C ATOM 808 C LYS A 80 5.930 5.661 -11.050 1.00 0.00 C ATOM 809 O LYS A 80 7.155 5.556 -11.044 1.00 0.00 O ATOM 810 CB LYS A 80 3.662 5.155 -12.251 1.00 0.00 C ATOM 811 CG LYS A 80 3.130 4.541 -13.561 1.00 0.00 C ATOM 812 CD LYS A 80 1.842 5.225 -14.055 1.00 0.00 C ATOM 813 CE LYS A 80 1.405 4.620 -15.397 1.00 0.00 C ATOM 814 NZ LYS A 80 0.260 5.336 -16.019 1.00 0.00 N ATOM 0 H LYS A 80 4.452 3.031 -10.976 1.00 0.00 H new ATOM 0 HA LYS A 80 5.576 4.851 -12.976 1.00 0.00 H new ATOM 0 HB2 LYS A 80 3.038 4.833 -11.417 1.00 0.00 H new ATOM 0 HB3 LYS A 80 3.590 6.241 -12.302 1.00 0.00 H new ATOM 0 HG2 LYS A 80 3.897 4.618 -14.332 1.00 0.00 H new ATOM 0 HG3 LYS A 80 2.938 3.479 -13.408 1.00 0.00 H new ATOM 0 HD2 LYS A 80 1.050 5.102 -13.317 1.00 0.00 H new ATOM 0 HD3 LYS A 80 2.010 6.296 -14.167 1.00 0.00 H new ATOM 0 HE2 LYS A 80 2.250 4.632 -16.086 1.00 0.00 H new ATOM 0 HE3 LYS A 80 1.133 3.576 -15.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 0.014 4.880 -16.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -0.559 5.303 -15.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 0.523 6.327 -16.193 1.00 0.00 H new ATOM 828 N GLU A 81 5.301 6.556 -10.281 1.00 0.00 N ATOM 829 CA GLU A 81 6.047 7.596 -9.553 1.00 0.00 C ATOM 830 C GLU A 81 5.382 8.125 -8.263 1.00 0.00 C ATOM 831 O GLU A 81 5.951 8.982 -7.598 1.00 0.00 O ATOM 832 CB GLU A 81 6.308 8.745 -10.545 1.00 0.00 C ATOM 833 CG GLU A 81 7.631 9.477 -10.297 1.00 0.00 C ATOM 834 CD GLU A 81 7.949 10.452 -11.432 1.00 0.00 C ATOM 835 OE1 GLU A 81 7.032 10.887 -12.184 1.00 0.00 O ATOM 836 OE2 GLU A 81 9.122 10.850 -11.597 1.00 0.00 O ATOM 0 H GLU A 81 4.290 6.585 -10.145 1.00 0.00 H new ATOM 0 HA GLU A 81 6.967 7.138 -9.189 1.00 0.00 H new ATOM 0 HB2 GLU A 81 6.307 8.346 -11.559 1.00 0.00 H new ATOM 0 HB3 GLU A 81 5.488 9.461 -10.483 1.00 0.00 H new ATOM 0 HG2 GLU A 81 7.577 10.020 -9.353 1.00 0.00 H new ATOM 0 HG3 GLU A 81 8.438 8.751 -10.202 1.00 0.00 H new ATOM 843 N MET A 82 4.184 7.652 -7.904 1.00 0.00 N ATOM 844 CA MET A 82 3.355 8.198 -6.829 1.00 0.00 C ATOM 845 C MET A 82 3.964 7.892 -5.472 1.00 0.00 C ATOM 846 O MET A 82 4.250 8.777 -4.671 1.00 0.00 O ATOM 847 CB MET A 82 1.963 7.533 -6.893 1.00 0.00 C ATOM 848 CG MET A 82 1.224 7.752 -8.202 1.00 0.00 C ATOM 849 SD MET A 82 1.777 6.814 -9.661 1.00 0.00 S ATOM 850 CE MET A 82 0.621 7.506 -10.873 1.00 0.00 C ATOM 0 H MET A 82 3.753 6.853 -8.369 1.00 0.00 H new ATOM 0 HA MET A 82 3.284 9.278 -6.955 1.00 0.00 H new ATOM 0 HB2 MET A 82 2.078 6.462 -6.729 1.00 0.00 H new ATOM 0 HB3 MET A 82 1.352 7.917 -6.076 1.00 0.00 H new ATOM 0 HG2 MET A 82 0.172 7.520 -8.035 1.00 0.00 H new ATOM 0 HG3 MET A 82 1.282 8.813 -8.445 1.00 0.00 H new ATOM 0 HE1 MET A 82 0.801 7.052 -11.848 1.00 0.00 H new ATOM 0 HE2 MET A 82 -0.402 7.299 -10.559 1.00 0.00 H new ATOM 0 HE3 MET A 82 0.768 8.584 -10.942 1.00 0.00 H new ATOM 860 N LEU A 83 4.090 6.588 -5.220 1.00 0.00 N ATOM 861 CA LEU A 83 4.525 5.995 -3.960 1.00 0.00 C ATOM 862 C LEU A 83 5.813 5.196 -4.143 1.00 0.00 C ATOM 863 O LEU A 83 6.096 4.711 -5.234 1.00 0.00 O ATOM 864 CB LEU A 83 3.438 5.064 -3.378 1.00 0.00 C ATOM 865 CG LEU A 83 2.019 5.650 -3.226 1.00 0.00 C ATOM 866 CD1 LEU A 83 1.231 4.850 -2.189 1.00 0.00 C ATOM 867 CD2 LEU A 83 2.058 7.098 -2.762 1.00 0.00 C ATOM 0 H LEU A 83 3.880 5.883 -5.927 1.00 0.00 H new ATOM 0 HA LEU A 83 4.706 6.817 -3.267 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.373 4.181 -4.014 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.772 4.726 -2.397 1.00 0.00 H new ATOM 0 HG LEU A 83 1.543 5.596 -4.205 1.00 0.00 H new ATOM 0 HD11 LEU A 83 0.231 5.271 -2.088 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.157 3.811 -2.510 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.743 4.897 -1.228 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.040 7.477 -2.666 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.560 7.157 -1.796 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.602 7.699 -3.491 1.00 0.00 H new ATOM 879 N SER A 84 6.559 4.989 -3.060 1.00 0.00 N ATOM 880 CA SER A 84 7.772 4.149 -3.104 1.00 0.00 C ATOM 881 C SER A 84 7.828 3.140 -1.973 1.00 0.00 C ATOM 882 O SER A 84 6.976 3.101 -1.082 1.00 0.00 O ATOM 883 CB SER A 84 9.053 4.979 -3.105 1.00 0.00 C ATOM 884 OG SER A 84 9.110 5.870 -4.201 1.00 0.00 O ATOM 0 H SER A 84 6.354 5.385 -2.143 1.00 0.00 H new ATOM 0 HA SER A 84 7.706 3.605 -4.046 1.00 0.00 H new ATOM 0 HB2 SER A 84 9.119 5.544 -2.175 1.00 0.00 H new ATOM 0 HB3 SER A 84 9.916 4.313 -3.135 1.00 0.00 H new ATOM 0 HG SER A 84 9.944 6.383 -4.163 1.00 0.00 H new ATOM 890 N THR A 85 8.822 2.255 -2.021 1.00 0.00 N ATOM 891 CA THR A 85 8.975 1.175 -1.048 1.00 0.00 C ATOM 892 C THR A 85 10.418 0.692 -0.916 1.00 0.00 C ATOM 893 O THR A 85 11.196 0.764 -1.868 1.00 0.00 O ATOM 894 CB THR A 85 8.012 0.037 -1.420 1.00 0.00 C ATOM 895 OG1 THR A 85 8.009 -1.047 -0.520 1.00 0.00 O ATOM 896 CG2 THR A 85 8.294 -0.502 -2.821 1.00 0.00 C ATOM 0 H THR A 85 9.547 2.267 -2.739 1.00 0.00 H new ATOM 0 HA THR A 85 8.718 1.557 -0.060 1.00 0.00 H new ATOM 0 HB THR A 85 7.027 0.502 -1.376 1.00 0.00 H new ATOM 0 HG1 THR A 85 8.138 -0.715 0.393 1.00 0.00 H new ATOM 0 HG21 THR A 85 7.594 -1.305 -3.050 1.00 0.00 H new ATOM 0 HG22 THR A 85 8.177 0.300 -3.550 1.00 0.00 H new ATOM 0 HG23 THR A 85 9.313 -0.886 -2.865 1.00 0.00 H new ATOM 904 N GLU A 86 10.756 0.213 0.277 1.00 0.00 N ATOM 905 CA GLU A 86 12.071 -0.301 0.677 1.00 0.00 C ATOM 906 C GLU A 86 11.917 -1.581 1.517 1.00 0.00 C ATOM 907 O GLU A 86 10.849 -1.864 2.064 1.00 0.00 O ATOM 908 CB GLU A 86 12.850 0.795 1.434 1.00 0.00 C ATOM 909 CG GLU A 86 12.223 1.196 2.783 1.00 0.00 C ATOM 910 CD GLU A 86 12.968 2.339 3.483 1.00 0.00 C ATOM 911 OE1 GLU A 86 14.161 2.568 3.176 1.00 0.00 O ATOM 912 OE2 GLU A 86 12.358 2.993 4.365 1.00 0.00 O ATOM 0 H GLU A 86 10.081 0.169 1.040 1.00 0.00 H new ATOM 0 HA GLU A 86 12.643 -0.567 -0.212 1.00 0.00 H new ATOM 0 HB2 GLU A 86 13.868 0.447 1.608 1.00 0.00 H new ATOM 0 HB3 GLU A 86 12.919 1.679 0.801 1.00 0.00 H new ATOM 0 HG2 GLU A 86 11.187 1.493 2.620 1.00 0.00 H new ATOM 0 HG3 GLU A 86 12.206 0.327 3.440 1.00 0.00 H new ATOM 919 N LYS A 87 12.979 -2.378 1.647 1.00 0.00 N ATOM 920 CA LYS A 87 12.968 -3.666 2.366 1.00 0.00 C ATOM 921 C LYS A 87 13.689 -3.548 3.721 1.00 0.00 C ATOM 922 O LYS A 87 14.820 -3.070 3.779 1.00 0.00 O ATOM 923 CB LYS A 87 13.620 -4.736 1.460 1.00 0.00 C ATOM 924 CG LYS A 87 12.863 -6.076 1.406 1.00 0.00 C ATOM 925 CD LYS A 87 13.601 -7.260 2.048 1.00 0.00 C ATOM 926 CE LYS A 87 13.714 -7.122 3.566 1.00 0.00 C ATOM 927 NZ LYS A 87 14.311 -8.334 4.174 1.00 0.00 N ATOM 0 H LYS A 87 13.890 -2.148 1.251 1.00 0.00 H new ATOM 0 HA LYS A 87 11.942 -3.961 2.587 1.00 0.00 H new ATOM 0 HB2 LYS A 87 13.700 -4.338 0.449 1.00 0.00 H new ATOM 0 HB3 LYS A 87 14.635 -4.921 1.811 1.00 0.00 H new ATOM 0 HG2 LYS A 87 11.901 -5.954 1.903 1.00 0.00 H new ATOM 0 HG3 LYS A 87 12.655 -6.318 0.364 1.00 0.00 H new ATOM 0 HD2 LYS A 87 13.076 -8.185 1.808 1.00 0.00 H new ATOM 0 HD3 LYS A 87 14.599 -7.339 1.618 1.00 0.00 H new ATOM 0 HE2 LYS A 87 14.324 -6.252 3.810 1.00 0.00 H new ATOM 0 HE3 LYS A 87 12.726 -6.948 3.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 14.017 -8.404 5.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 13.987 -9.177 3.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 15.348 -8.273 4.122 1.00 0.00 H new ATOM 941 N GLU A 88 13.050 -4.064 4.769 1.00 0.00 N ATOM 942 CA GLU A 88 13.591 -4.163 6.136 1.00 0.00 C ATOM 943 C GLU A 88 13.357 -5.579 6.696 1.00 0.00 C ATOM 944 O GLU A 88 12.518 -6.322 6.186 1.00 0.00 O ATOM 945 CB GLU A 88 12.942 -3.066 7.015 1.00 0.00 C ATOM 946 CG GLU A 88 13.931 -1.990 7.491 1.00 0.00 C ATOM 947 CD GLU A 88 14.808 -2.435 8.673 1.00 0.00 C ATOM 948 OE1 GLU A 88 14.950 -3.652 8.928 1.00 0.00 O ATOM 949 OE2 GLU A 88 15.364 -1.557 9.374 1.00 0.00 O ATOM 0 H GLU A 88 12.105 -4.441 4.693 1.00 0.00 H new ATOM 0 HA GLU A 88 14.668 -3.998 6.132 1.00 0.00 H new ATOM 0 HB2 GLU A 88 12.142 -2.587 6.451 1.00 0.00 H new ATOM 0 HB3 GLU A 88 12.482 -3.535 7.885 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.575 -1.708 6.658 1.00 0.00 H new ATOM 0 HG3 GLU A 88 13.373 -1.099 7.779 1.00 0.00 H new ATOM 956 N GLY A 89 14.091 -5.978 7.738 1.00 0.00 N ATOM 957 CA GLY A 89 14.212 -7.317 8.333 1.00 0.00 C ATOM 958 C GLY A 89 13.405 -8.442 7.656 1.00 0.00 C ATOM 959 O GLY A 89 13.967 -9.229 6.895 1.00 0.00 O ATOM 0 H GLY A 89 14.674 -5.307 8.237 1.00 0.00 H new ATOM 0 HA2 GLY A 89 15.265 -7.600 8.327 1.00 0.00 H new ATOM 0 HA3 GLY A 89 13.904 -7.256 9.377 1.00 0.00 H new ATOM 963 N ARG A 90 12.083 -8.464 7.871 1.00 0.00 N ATOM 964 CA ARG A 90 11.172 -9.544 7.417 1.00 0.00 C ATOM 965 C ARG A 90 10.116 -9.124 6.382 1.00 0.00 C ATOM 966 O ARG A 90 9.362 -9.991 5.934 1.00 0.00 O ATOM 967 CB ARG A 90 10.519 -10.186 8.668 1.00 0.00 C ATOM 968 CG ARG A 90 10.675 -11.710 8.776 1.00 0.00 C ATOM 969 CD ARG A 90 9.970 -12.469 7.649 1.00 0.00 C ATOM 970 NE ARG A 90 9.803 -13.897 7.979 1.00 0.00 N ATOM 971 CZ ARG A 90 8.745 -14.639 7.717 1.00 0.00 C ATOM 972 NH1 ARG A 90 7.761 -14.243 6.967 1.00 0.00 N ATOM 973 NH2 ARG A 90 8.665 -15.843 8.192 1.00 0.00 N ATOM 0 H ARG A 90 11.599 -7.721 8.375 1.00 0.00 H new ATOM 0 HA ARG A 90 11.781 -10.267 6.875 1.00 0.00 H new ATOM 0 HB2 ARG A 90 10.950 -9.728 9.559 1.00 0.00 H new ATOM 0 HB3 ARG A 90 9.456 -9.944 8.668 1.00 0.00 H new ATOM 0 HG2 ARG A 90 11.735 -11.962 8.767 1.00 0.00 H new ATOM 0 HG3 ARG A 90 10.276 -12.043 9.734 1.00 0.00 H new ATOM 0 HD2 ARG A 90 8.994 -12.021 7.463 1.00 0.00 H new ATOM 0 HD3 ARG A 90 10.546 -12.372 6.729 1.00 0.00 H new ATOM 0 HE ARG A 90 10.580 -14.354 8.455 1.00 0.00 H new ATOM 0 HH11 ARG A 90 7.782 -13.314 6.546 1.00 0.00 H new ATOM 0 HH12 ARG A 90 6.967 -14.861 6.799 1.00 0.00 H new ATOM 0 HH21 ARG A 90 9.420 -16.215 8.768 1.00 0.00 H new ATOM 0 HH22 ARG A 90 7.847 -16.418 7.990 1.00 0.00 H new ATOM 987 N LYS A 91 10.013 -7.830 6.009 1.00 0.00 N ATOM 988 CA LYS A 91 8.937 -7.235 5.190 1.00 0.00 C ATOM 989 C LYS A 91 9.359 -6.064 4.277 1.00 0.00 C ATOM 990 O LYS A 91 10.514 -5.644 4.279 1.00 0.00 O ATOM 991 CB LYS A 91 7.789 -6.825 6.141 1.00 0.00 C ATOM 992 CG LYS A 91 6.750 -7.961 6.256 1.00 0.00 C ATOM 993 CD LYS A 91 6.141 -7.935 7.643 1.00 0.00 C ATOM 994 CE LYS A 91 5.221 -9.147 7.823 1.00 0.00 C ATOM 995 NZ LYS A 91 4.567 -9.168 9.153 1.00 0.00 N ATOM 0 H LYS A 91 10.712 -7.140 6.284 1.00 0.00 H new ATOM 0 HA LYS A 91 8.619 -7.998 4.480 1.00 0.00 H new ATOM 0 HB2 LYS A 91 8.191 -6.591 7.127 1.00 0.00 H new ATOM 0 HB3 LYS A 91 7.308 -5.920 5.770 1.00 0.00 H new ATOM 0 HG2 LYS A 91 5.973 -7.838 5.501 1.00 0.00 H new ATOM 0 HG3 LYS A 91 7.224 -8.925 6.071 1.00 0.00 H new ATOM 0 HD2 LYS A 91 6.928 -7.948 8.397 1.00 0.00 H new ATOM 0 HD3 LYS A 91 5.577 -7.013 7.786 1.00 0.00 H new ATOM 0 HE2 LYS A 91 4.457 -9.138 7.046 1.00 0.00 H new ATOM 0 HE3 LYS A 91 5.799 -10.061 7.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 3.832 -9.904 9.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 5.276 -9.373 9.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 4.133 -8.242 9.341 1.00 0.00 H new ATOM 1009 N PHE A 92 8.381 -5.568 3.521 1.00 0.00 N ATOM 1010 CA PHE A 92 8.466 -4.294 2.791 1.00 0.00 C ATOM 1011 C PHE A 92 7.870 -3.127 3.602 1.00 0.00 C ATOM 1012 O PHE A 92 6.909 -3.313 4.365 1.00 0.00 O ATOM 1013 CB PHE A 92 7.724 -4.383 1.461 1.00 0.00 C ATOM 1014 CG PHE A 92 8.537 -5.020 0.375 1.00 0.00 C ATOM 1015 CD1 PHE A 92 9.602 -4.299 -0.192 1.00 0.00 C ATOM 1016 CD2 PHE A 92 8.218 -6.308 -0.093 1.00 0.00 C ATOM 1017 CE1 PHE A 92 10.368 -4.868 -1.221 1.00 0.00 C ATOM 1018 CE2 PHE A 92 8.982 -6.880 -1.130 1.00 0.00 C ATOM 1019 CZ PHE A 92 10.056 -6.157 -1.688 1.00 0.00 C ATOM 0 H PHE A 92 7.489 -6.045 3.393 1.00 0.00 H new ATOM 0 HA PHE A 92 9.525 -4.104 2.619 1.00 0.00 H new ATOM 0 HB2 PHE A 92 6.806 -4.954 1.602 1.00 0.00 H new ATOM 0 HB3 PHE A 92 7.432 -3.381 1.147 1.00 0.00 H new ATOM 0 HD1 PHE A 92 9.831 -3.306 0.165 1.00 0.00 H new ATOM 0 HD2 PHE A 92 7.393 -6.855 0.340 1.00 0.00 H new ATOM 0 HE1 PHE A 92 11.192 -4.319 -1.652 1.00 0.00 H new ATOM 0 HE2 PHE A 92 8.746 -7.868 -1.496 1.00 0.00 H new ATOM 0 HZ PHE A 92 10.644 -6.597 -2.480 1.00 0.00 H new ATOM 1029 N VAL A 93 8.376 -1.916 3.352 1.00 0.00 N ATOM 1030 CA VAL A 93 7.952 -0.637 3.924 1.00 0.00 C ATOM 1031 C VAL A 93 7.581 0.287 2.779 1.00 0.00 C ATOM 1032 O VAL A 93 8.427 0.630 1.964 1.00 0.00 O ATOM 1033 CB VAL A 93 9.090 -0.013 4.750 1.00 0.00 C ATOM 1034 CG1 VAL A 93 8.823 1.472 5.052 1.00 0.00 C ATOM 1035 CG2 VAL A 93 9.252 -0.797 6.058 1.00 0.00 C ATOM 0 H VAL A 93 9.149 -1.796 2.697 1.00 0.00 H new ATOM 0 HA VAL A 93 7.099 -0.790 4.585 1.00 0.00 H new ATOM 0 HB VAL A 93 10.009 -0.068 4.167 1.00 0.00 H new ATOM 0 HG11 VAL A 93 9.648 1.878 5.637 1.00 0.00 H new ATOM 0 HG12 VAL A 93 8.735 2.024 4.116 1.00 0.00 H new ATOM 0 HG13 VAL A 93 7.896 1.567 5.617 1.00 0.00 H new ATOM 0 HG21 VAL A 93 10.057 -0.359 6.647 1.00 0.00 H new ATOM 0 HG22 VAL A 93 8.322 -0.754 6.625 1.00 0.00 H new ATOM 0 HG23 VAL A 93 9.492 -1.836 5.832 1.00 0.00 H new ATOM 1045 N TYR A 94 6.317 0.689 2.719 1.00 0.00 N ATOM 1046 CA TYR A 94 5.793 1.586 1.702 1.00 0.00 C ATOM 1047 C TYR A 94 5.715 3.001 2.292 1.00 0.00 C ATOM 1048 O TYR A 94 5.032 3.223 3.295 1.00 0.00 O ATOM 1049 CB TYR A 94 4.447 1.032 1.202 1.00 0.00 C ATOM 1050 CG TYR A 94 4.582 -0.269 0.422 1.00 0.00 C ATOM 1051 CD1 TYR A 94 4.703 -1.525 1.068 1.00 0.00 C ATOM 1052 CD2 TYR A 94 4.625 -0.204 -0.985 1.00 0.00 C ATOM 1053 CE1 TYR A 94 4.860 -2.696 0.300 1.00 0.00 C ATOM 1054 CE2 TYR A 94 4.822 -1.370 -1.751 1.00 0.00 C ATOM 1055 CZ TYR A 94 4.938 -2.619 -1.106 1.00 0.00 C ATOM 1056 OH TYR A 94 5.132 -3.751 -1.828 1.00 0.00 O ATOM 0 H TYR A 94 5.613 0.392 3.394 1.00 0.00 H new ATOM 0 HA TYR A 94 6.443 1.649 0.829 1.00 0.00 H new ATOM 0 HB2 TYR A 94 3.790 0.869 2.056 1.00 0.00 H new ATOM 0 HB3 TYR A 94 3.968 1.779 0.569 1.00 0.00 H new ATOM 0 HD1 TYR A 94 4.675 -1.584 2.146 1.00 0.00 H new ATOM 0 HD2 TYR A 94 4.506 0.748 -1.481 1.00 0.00 H new ATOM 0 HE1 TYR A 94 4.921 -3.656 0.790 1.00 0.00 H new ATOM 0 HE2 TYR A 94 4.884 -1.308 -2.827 1.00 0.00 H new ATOM 0 HH TYR A 94 5.162 -3.529 -2.782 1.00 0.00 H new ATOM 1066 N ARG A 95 6.450 3.944 1.688 1.00 0.00 N ATOM 1067 CA ARG A 95 6.500 5.366 2.083 1.00 0.00 C ATOM 1068 C ARG A 95 6.437 6.320 0.863 1.00 0.00 C ATOM 1069 O ARG A 95 6.753 5.898 -0.251 1.00 0.00 O ATOM 1070 CB ARG A 95 7.726 5.606 2.996 1.00 0.00 C ATOM 1071 CG ARG A 95 9.109 5.509 2.325 1.00 0.00 C ATOM 1072 CD ARG A 95 10.220 6.071 3.235 1.00 0.00 C ATOM 1073 NE ARG A 95 10.607 5.138 4.312 1.00 0.00 N ATOM 1074 CZ ARG A 95 10.557 5.284 5.626 1.00 0.00 C ATOM 1075 NH1 ARG A 95 10.103 6.344 6.227 1.00 0.00 N ATOM 1076 NH2 ARG A 95 10.976 4.301 6.358 1.00 0.00 N ATOM 0 H ARG A 95 7.046 3.737 0.886 1.00 0.00 H new ATOM 0 HA ARG A 95 5.607 5.605 2.661 1.00 0.00 H new ATOM 0 HB2 ARG A 95 7.631 6.596 3.442 1.00 0.00 H new ATOM 0 HB3 ARG A 95 7.691 4.884 3.812 1.00 0.00 H new ATOM 0 HG2 ARG A 95 9.326 4.468 2.085 1.00 0.00 H new ATOM 0 HG3 ARG A 95 9.097 6.057 1.383 1.00 0.00 H new ATOM 0 HD2 ARG A 95 11.096 6.303 2.629 1.00 0.00 H new ATOM 0 HD3 ARG A 95 9.881 7.008 3.677 1.00 0.00 H new ATOM 0 HE ARG A 95 10.970 4.240 3.993 1.00 0.00 H new ATOM 0 HH11 ARG A 95 9.756 7.131 5.679 1.00 0.00 H new ATOM 0 HH12 ARG A 95 10.094 6.388 7.246 1.00 0.00 H new ATOM 0 HH21 ARG A 95 11.329 3.451 5.917 1.00 0.00 H new ATOM 0 HH22 ARG A 95 10.953 4.377 7.375 1.00 0.00 H new ATOM 1090 N PRO A 96 6.048 7.602 1.030 1.00 0.00 N ATOM 1091 CA PRO A 96 5.815 8.518 -0.098 1.00 0.00 C ATOM 1092 C PRO A 96 7.070 9.164 -0.709 1.00 0.00 C ATOM 1093 O PRO A 96 6.963 9.765 -1.769 1.00 0.00 O ATOM 1094 CB PRO A 96 4.862 9.582 0.448 1.00 0.00 C ATOM 1095 CG PRO A 96 5.235 9.671 1.923 1.00 0.00 C ATOM 1096 CD PRO A 96 5.592 8.226 2.269 1.00 0.00 C ATOM 0 HA PRO A 96 5.410 7.949 -0.935 1.00 0.00 H new ATOM 0 HB2 PRO A 96 4.996 10.538 -0.058 1.00 0.00 H new ATOM 0 HB3 PRO A 96 3.819 9.294 0.314 1.00 0.00 H new ATOM 0 HG2 PRO A 96 6.075 10.346 2.088 1.00 0.00 H new ATOM 0 HG3 PRO A 96 4.407 10.039 2.528 1.00 0.00 H new ATOM 0 HD2 PRO A 96 6.371 8.191 3.030 1.00 0.00 H new ATOM 0 HD3 PRO A 96 4.728 7.699 2.673 1.00 0.00 H new