USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=10 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 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot -1:sc= 1.1 USER MOD Single : A 58 GLN : amide:sc= 0.184 X(o=0.18,f=-0.011) USER MOD Single : A 61 GLN : amide:sc= -0.671 K(o=-0.67,f=-2.4!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0128) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 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 -132:sc=-0.00711 (180deg=-0.793) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 48:sc= 1.22 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 101 N LEU A 38 -9.127 5.765 -5.111 1.00 0.00 N ATOM 102 CA LEU A 38 -8.560 6.995 -4.556 1.00 0.00 C ATOM 103 C LEU A 38 -8.077 6.818 -3.104 1.00 0.00 C ATOM 104 O LEU A 38 -7.059 7.413 -2.741 1.00 0.00 O ATOM 105 CB LEU A 38 -9.569 8.154 -4.649 1.00 0.00 C ATOM 106 CG LEU A 38 -9.938 8.591 -6.086 1.00 0.00 C ATOM 107 CD1 LEU A 38 -11.166 7.858 -6.638 1.00 0.00 C ATOM 108 CD2 LEU A 38 -10.272 10.085 -6.115 1.00 0.00 C ATOM 0 HA LEU A 38 -7.685 7.238 -5.159 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -10.482 7.863 -4.129 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.160 9.014 -4.118 1.00 0.00 H new ATOM 0 HG LEU A 38 -9.069 8.352 -6.699 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -11.375 8.208 -7.649 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -10.971 6.786 -6.658 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -12.027 8.059 -6.000 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -10.530 10.380 -7.132 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -11.116 10.282 -5.455 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -9.408 10.658 -5.779 1.00 0.00 H new ATOM 120 N ILE A 39 -8.720 5.974 -2.288 1.00 0.00 N ATOM 121 CA ILE A 39 -8.318 5.786 -0.885 1.00 0.00 C ATOM 122 C ILE A 39 -6.889 5.254 -0.767 1.00 0.00 C ATOM 123 O ILE A 39 -6.112 5.816 0.006 1.00 0.00 O ATOM 124 CB ILE A 39 -9.343 5.018 -0.039 1.00 0.00 C ATOM 125 CG1 ILE A 39 -9.523 3.523 -0.370 1.00 0.00 C ATOM 126 CG2 ILE A 39 -10.711 5.720 -0.040 1.00 0.00 C ATOM 127 CD1 ILE A 39 -9.595 2.773 0.953 1.00 0.00 C ATOM 0 H ILE A 39 -9.521 5.410 -2.573 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.309 6.779 -0.437 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.903 5.035 0.958 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -10.431 3.365 -0.952 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.691 3.160 -0.973 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -11.413 5.150 0.568 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.605 6.723 0.372 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -11.086 5.785 -1.061 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -9.723 1.708 0.761 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -8.673 2.933 1.512 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -10.441 3.141 1.534 1.00 0.00 H new ATOM 139 N VAL A 40 -6.481 4.291 -1.608 1.00 0.00 N ATOM 140 CA VAL A 40 -5.102 3.760 -1.645 1.00 0.00 C ATOM 141 C VAL A 40 -4.039 4.821 -1.953 1.00 0.00 C ATOM 142 O VAL A 40 -2.891 4.688 -1.531 1.00 0.00 O ATOM 143 CB VAL A 40 -4.968 2.561 -2.611 1.00 0.00 C ATOM 144 CG1 VAL A 40 -6.001 1.479 -2.268 1.00 0.00 C ATOM 145 CG2 VAL A 40 -5.105 2.927 -4.101 1.00 0.00 C ATOM 0 H VAL A 40 -7.101 3.853 -2.289 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.908 3.411 -0.631 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.952 2.192 -2.469 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -5.893 0.642 -2.957 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -5.839 1.132 -1.247 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.005 1.894 -2.355 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.998 2.028 -4.708 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -6.085 3.370 -4.278 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.329 3.642 -4.373 1.00 0.00 H new ATOM 155 N MET A 41 -4.435 5.907 -2.621 1.00 0.00 N ATOM 156 CA MET A 41 -3.573 7.029 -2.987 1.00 0.00 C ATOM 157 C MET A 41 -3.635 8.191 -1.978 1.00 0.00 C ATOM 158 O MET A 41 -3.024 9.223 -2.228 1.00 0.00 O ATOM 159 CB MET A 41 -3.887 7.493 -4.425 1.00 0.00 C ATOM 160 CG MET A 41 -3.632 6.384 -5.457 1.00 0.00 C ATOM 161 SD MET A 41 -3.342 6.960 -7.157 1.00 0.00 S ATOM 162 CE MET A 41 -4.996 7.574 -7.574 1.00 0.00 C ATOM 0 H MET A 41 -5.398 6.032 -2.932 1.00 0.00 H new ATOM 0 HA MET A 41 -2.543 6.674 -2.955 1.00 0.00 H new ATOM 0 HB2 MET A 41 -4.928 7.811 -4.484 1.00 0.00 H new ATOM 0 HB3 MET A 41 -3.275 8.361 -4.667 1.00 0.00 H new ATOM 0 HG2 MET A 41 -2.768 5.802 -5.135 1.00 0.00 H new ATOM 0 HG3 MET A 41 -4.488 5.709 -5.460 1.00 0.00 H new ATOM 0 HE1 MET A 41 -4.993 7.965 -8.591 1.00 0.00 H new ATOM 0 HE2 MET A 41 -5.716 6.759 -7.501 1.00 0.00 H new ATOM 0 HE3 MET A 41 -5.275 8.368 -6.881 1.00 0.00 H new ATOM 172 N ARG A 42 -4.312 8.047 -0.827 1.00 0.00 N ATOM 173 CA ARG A 42 -4.254 9.055 0.260 1.00 0.00 C ATOM 174 C ARG A 42 -4.154 8.505 1.686 1.00 0.00 C ATOM 175 O ARG A 42 -3.680 9.225 2.561 1.00 0.00 O ATOM 176 CB ARG A 42 -5.411 10.065 0.100 1.00 0.00 C ATOM 177 CG ARG A 42 -4.913 11.496 0.364 1.00 0.00 C ATOM 178 CD ARG A 42 -6.029 12.541 0.208 1.00 0.00 C ATOM 179 NE ARG A 42 -5.500 13.920 0.156 1.00 0.00 N ATOM 180 CZ ARG A 42 -5.013 14.642 1.147 1.00 0.00 C ATOM 181 NH1 ARG A 42 -4.953 14.203 2.373 1.00 0.00 N ATOM 182 NH2 ARG A 42 -4.628 15.861 0.929 1.00 0.00 N ATOM 0 H ARG A 42 -4.907 7.245 -0.619 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.298 9.563 0.135 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -5.825 9.997 -0.906 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -6.215 9.819 0.793 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.502 11.555 1.372 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -4.102 11.729 -0.326 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.592 12.335 -0.702 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -6.726 12.452 1.041 1.00 0.00 H new ATOM 0 HE ARG A 42 -5.513 14.369 -0.760 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -5.291 13.267 2.597 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -4.568 14.796 3.109 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -4.702 16.260 -0.007 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -4.251 16.421 1.694 1.00 0.00 H new ATOM 196 N VAL A 43 -4.493 7.225 1.917 1.00 0.00 N ATOM 197 CA VAL A 43 -4.294 6.526 3.207 1.00 0.00 C ATOM 198 C VAL A 43 -2.834 6.547 3.659 1.00 0.00 C ATOM 199 O VAL A 43 -2.493 7.123 4.691 1.00 0.00 O ATOM 200 CB VAL A 43 -4.803 5.049 3.167 1.00 0.00 C ATOM 201 CG1 VAL A 43 -4.489 4.231 1.897 1.00 0.00 C ATOM 202 CG2 VAL A 43 -4.262 4.185 4.322 1.00 0.00 C ATOM 0 H VAL A 43 -4.920 6.634 1.204 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.891 7.080 3.932 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.877 5.227 3.225 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.898 3.226 2.001 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.938 4.717 1.031 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.409 4.171 1.761 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.655 3.172 4.233 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.173 4.157 4.277 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.575 4.613 5.274 1.00 0.00 H new ATOM 212 N ILE A 44 -1.969 5.937 2.848 1.00 0.00 N ATOM 213 CA ILE A 44 -0.582 5.623 3.230 1.00 0.00 C ATOM 214 C ILE A 44 0.218 6.884 3.542 1.00 0.00 C ATOM 215 O ILE A 44 0.992 6.939 4.499 1.00 0.00 O ATOM 216 CB ILE A 44 0.091 4.834 2.088 1.00 0.00 C ATOM 217 CG1 ILE A 44 -0.796 3.642 1.664 1.00 0.00 C ATOM 218 CG2 ILE A 44 1.483 4.403 2.566 1.00 0.00 C ATOM 219 CD1 ILE A 44 -0.289 2.889 0.437 1.00 0.00 C ATOM 0 H ILE A 44 -2.207 5.643 1.901 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.603 5.020 4.138 1.00 0.00 H new ATOM 0 HB ILE A 44 0.208 5.453 1.198 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -0.871 2.945 2.499 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -1.803 4.007 1.462 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.982 3.842 1.776 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.073 5.286 2.812 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.385 3.774 3.451 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -0.969 2.068 0.207 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.241 3.569 -0.413 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.705 2.491 0.640 1.00 0.00 H new ATOM 231 N TRP A 45 -0.042 7.902 2.725 1.00 0.00 N ATOM 232 CA TRP A 45 0.578 9.222 2.787 1.00 0.00 C ATOM 233 C TRP A 45 0.513 9.856 4.184 1.00 0.00 C ATOM 234 O TRP A 45 1.430 10.570 4.583 1.00 0.00 O ATOM 235 CB TRP A 45 -0.127 10.109 1.748 1.00 0.00 C ATOM 236 CG TRP A 45 0.219 11.561 1.837 1.00 0.00 C ATOM 237 CD1 TRP A 45 -0.442 12.472 2.586 1.00 0.00 C ATOM 238 CD2 TRP A 45 1.356 12.266 1.254 1.00 0.00 C ATOM 239 NE1 TRP A 45 0.230 13.676 2.554 1.00 0.00 N ATOM 240 CE2 TRP A 45 1.363 13.599 1.765 1.00 0.00 C ATOM 241 CE3 TRP A 45 2.398 11.900 0.373 1.00 0.00 C ATOM 242 CZ2 TRP A 45 2.379 14.512 1.443 1.00 0.00 C ATOM 243 CZ3 TRP A 45 3.405 12.821 0.024 1.00 0.00 C ATOM 244 CH2 TRP A 45 3.406 14.118 0.568 1.00 0.00 C ATOM 0 H TRP A 45 -0.721 7.825 1.968 1.00 0.00 H new ATOM 0 HA TRP A 45 1.641 9.124 2.567 1.00 0.00 H new ATOM 0 HB2 TRP A 45 0.125 9.749 0.750 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -1.205 9.997 1.865 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -1.358 12.285 3.127 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -0.070 14.516 3.049 1.00 0.00 H new ATOM 0 HE3 TRP A 45 2.423 10.902 -0.038 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 2.372 15.507 1.863 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 4.182 12.529 -0.667 1.00 0.00 H new ATOM 0 HH2 TRP A 45 4.195 14.810 0.314 1.00 0.00 H new ATOM 255 N SER A 46 -0.555 9.585 4.942 1.00 0.00 N ATOM 256 CA SER A 46 -0.817 10.326 6.190 1.00 0.00 C ATOM 257 C SER A 46 0.076 9.884 7.349 1.00 0.00 C ATOM 258 O SER A 46 0.340 10.662 8.258 1.00 0.00 O ATOM 259 CB SER A 46 -2.270 10.166 6.636 1.00 0.00 C ATOM 260 OG SER A 46 -2.603 11.161 7.597 1.00 0.00 O ATOM 0 H SER A 46 -1.246 8.868 4.721 1.00 0.00 H new ATOM 0 HA SER A 46 -0.598 11.367 5.953 1.00 0.00 H new ATOM 0 HB2 SER A 46 -2.933 10.246 5.775 1.00 0.00 H new ATOM 0 HB3 SER A 46 -2.420 9.174 7.062 1.00 0.00 H new ATOM 0 HG SER A 46 -3.536 11.049 7.874 1.00 0.00 H new ATOM 266 N LEU A 47 0.449 8.610 7.348 1.00 0.00 N ATOM 267 CA LEU A 47 1.287 7.949 8.320 1.00 0.00 C ATOM 268 C LEU A 47 2.767 8.301 8.161 1.00 0.00 C ATOM 269 O LEU A 47 3.488 8.515 9.133 1.00 0.00 O ATOM 270 CB LEU A 47 0.986 6.462 8.075 1.00 0.00 C ATOM 271 CG LEU A 47 0.701 5.741 9.387 1.00 0.00 C ATOM 272 CD1 LEU A 47 -0.195 4.547 9.083 1.00 0.00 C ATOM 273 CD2 LEU A 47 2.045 5.354 9.967 1.00 0.00 C ATOM 0 H LEU A 47 0.148 7.973 6.611 1.00 0.00 H new ATOM 0 HA LEU A 47 1.078 8.255 9.345 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.129 6.365 7.409 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.833 5.993 7.574 1.00 0.00 H new ATOM 0 HG LEU A 47 0.175 6.353 10.119 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.415 4.012 10.007 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.126 4.895 8.635 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.313 3.878 8.389 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.897 4.832 10.912 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.568 4.700 9.269 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.640 6.251 10.138 1.00 0.00 H new ATOM 285 N GLY A 48 3.208 8.345 6.906 1.00 0.00 N ATOM 286 CA GLY A 48 4.571 8.629 6.460 1.00 0.00 C ATOM 287 C GLY A 48 5.161 7.380 5.816 1.00 0.00 C ATOM 288 O GLY A 48 5.344 7.315 4.605 1.00 0.00 O ATOM 0 H GLY A 48 2.581 8.172 6.121 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.568 9.453 5.747 1.00 0.00 H new ATOM 0 HA3 GLY A 48 5.185 8.941 7.305 1.00 0.00 H new ATOM 292 N GLU A 49 5.323 6.333 6.616 1.00 0.00 N ATOM 293 CA GLU A 49 5.667 4.987 6.161 1.00 0.00 C ATOM 294 C GLU A 49 4.765 3.916 6.776 1.00 0.00 C ATOM 295 O GLU A 49 4.449 3.935 7.970 1.00 0.00 O ATOM 296 CB GLU A 49 7.150 4.670 6.403 1.00 0.00 C ATOM 297 CG GLU A 49 7.639 4.522 7.849 1.00 0.00 C ATOM 298 CD GLU A 49 7.952 5.898 8.455 1.00 0.00 C ATOM 299 OE1 GLU A 49 7.018 6.583 8.944 1.00 0.00 O ATOM 300 OE2 GLU A 49 9.138 6.291 8.386 1.00 0.00 O ATOM 0 H GLU A 49 5.216 6.396 7.628 1.00 0.00 H new ATOM 0 HA GLU A 49 5.493 4.970 5.085 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.381 3.743 5.878 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.739 5.458 5.933 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.878 4.020 8.447 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.530 3.895 7.875 1.00 0.00 H new ATOM 307 N ALA A 50 4.387 2.930 5.956 1.00 0.00 N ATOM 308 CA ALA A 50 3.550 1.819 6.392 1.00 0.00 C ATOM 309 C ALA A 50 4.039 0.495 5.791 1.00 0.00 C ATOM 310 O ALA A 50 4.527 0.442 4.662 1.00 0.00 O ATOM 311 CB ALA A 50 2.110 2.139 5.997 1.00 0.00 C ATOM 0 H ALA A 50 4.655 2.884 4.973 1.00 0.00 H new ATOM 0 HA ALA A 50 3.607 1.695 7.473 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.457 1.324 6.310 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.796 3.063 6.483 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.047 2.258 4.915 1.00 0.00 H new ATOM 317 N ARG A 51 3.929 -0.591 6.556 1.00 0.00 N ATOM 318 CA ARG A 51 4.347 -1.932 6.118 1.00 0.00 C ATOM 319 C ARG A 51 3.296 -2.554 5.209 1.00 0.00 C ATOM 320 O ARG A 51 2.154 -2.109 5.227 1.00 0.00 O ATOM 321 CB ARG A 51 4.701 -2.821 7.312 1.00 0.00 C ATOM 322 CG ARG A 51 5.750 -2.117 8.193 1.00 0.00 C ATOM 323 CD ARG A 51 6.731 -3.113 8.775 1.00 0.00 C ATOM 324 NE ARG A 51 5.991 -4.154 9.519 1.00 0.00 N ATOM 325 CZ ARG A 51 6.315 -4.688 10.671 1.00 0.00 C ATOM 326 NH1 ARG A 51 7.475 -4.465 11.216 1.00 0.00 N ATOM 327 NH2 ARG A 51 5.417 -5.330 11.360 1.00 0.00 N ATOM 0 H ARG A 51 3.547 -0.570 7.501 1.00 0.00 H new ATOM 0 HA ARG A 51 5.259 -1.836 5.528 1.00 0.00 H new ATOM 0 HB2 ARG A 51 3.806 -3.034 7.896 1.00 0.00 H new ATOM 0 HB3 ARG A 51 5.089 -3.778 6.962 1.00 0.00 H new ATOM 0 HG2 ARG A 51 6.288 -1.376 7.602 1.00 0.00 H new ATOM 0 HG3 ARG A 51 5.251 -1.580 9.000 1.00 0.00 H new ATOM 0 HD2 ARG A 51 7.319 -3.569 7.978 1.00 0.00 H new ATOM 0 HD3 ARG A 51 7.431 -2.605 9.438 1.00 0.00 H new ATOM 0 HE ARG A 51 5.132 -4.495 9.087 1.00 0.00 H new ATOM 0 HH11 ARG A 51 8.152 -3.865 10.746 1.00 0.00 H new ATOM 0 HH12 ARG A 51 7.707 -4.891 12.113 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.465 -5.416 11.003 1.00 0.00 H new ATOM 0 HH22 ARG A 51 5.665 -5.747 12.257 1.00 0.00 H new ATOM 341 N VAL A 52 3.619 -3.594 4.422 1.00 0.00 N ATOM 342 CA VAL A 52 2.660 -4.181 3.454 1.00 0.00 C ATOM 343 C VAL A 52 1.319 -4.620 4.034 1.00 0.00 C ATOM 344 O VAL A 52 0.271 -4.483 3.417 1.00 0.00 O ATOM 345 CB VAL A 52 3.223 -5.341 2.617 1.00 0.00 C ATOM 346 CG1 VAL A 52 4.604 -5.746 3.089 1.00 0.00 C ATOM 347 CG2 VAL A 52 2.333 -6.583 2.539 1.00 0.00 C ATOM 0 H VAL A 52 4.532 -4.049 4.432 1.00 0.00 H new ATOM 0 HA VAL A 52 2.483 -3.323 2.806 1.00 0.00 H new ATOM 0 HB VAL A 52 3.268 -4.934 1.607 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.972 -6.568 2.475 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.282 -4.897 3.002 1.00 0.00 H new ATOM 0 HG13 VAL A 52 4.554 -6.065 4.130 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.820 -7.342 1.926 1.00 0.00 H new ATOM 0 HG22 VAL A 52 2.169 -6.977 3.542 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.375 -6.317 2.093 1.00 0.00 H new ATOM 357 N ASP A 53 1.394 -5.248 5.194 1.00 0.00 N ATOM 358 CA ASP A 53 0.230 -5.786 5.908 1.00 0.00 C ATOM 359 C ASP A 53 -0.566 -4.627 6.551 1.00 0.00 C ATOM 360 O ASP A 53 -1.769 -4.733 6.749 1.00 0.00 O ATOM 361 CB ASP A 53 0.727 -6.892 6.908 1.00 0.00 C ATOM 362 CG ASP A 53 2.169 -7.415 6.619 1.00 0.00 C ATOM 363 OD1 ASP A 53 3.131 -6.625 6.777 1.00 0.00 O ATOM 364 OD2 ASP A 53 2.359 -8.538 6.096 1.00 0.00 O ATOM 0 H ASP A 53 2.276 -5.405 5.681 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.475 -6.276 5.237 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.694 -6.491 7.921 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.034 -7.733 6.876 1.00 0.00 H new ATOM 369 N GLU A 54 0.106 -3.505 6.847 1.00 0.00 N ATOM 370 CA GLU A 54 -0.398 -2.269 7.451 1.00 0.00 C ATOM 371 C GLU A 54 -1.187 -1.424 6.438 1.00 0.00 C ATOM 372 O GLU A 54 -2.319 -1.017 6.688 1.00 0.00 O ATOM 373 CB GLU A 54 0.846 -1.482 7.934 1.00 0.00 C ATOM 374 CG GLU A 54 0.907 -1.195 9.443 1.00 0.00 C ATOM 375 CD GLU A 54 -0.112 -0.172 9.948 1.00 0.00 C ATOM 376 OE1 GLU A 54 -0.947 0.293 9.145 1.00 0.00 O ATOM 377 OE2 GLU A 54 -0.020 0.155 11.156 1.00 0.00 O ATOM 0 H GLU A 54 1.105 -3.436 6.651 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.080 -2.500 8.269 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.739 -2.041 7.652 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.883 -0.532 7.400 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.758 -2.131 9.982 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.908 -0.841 9.690 1.00 0.00 H new ATOM 384 N ILE A 55 -0.622 -1.237 5.238 1.00 0.00 N ATOM 385 CA ILE A 55 -1.321 -0.570 4.110 1.00 0.00 C ATOM 386 C ILE A 55 -2.593 -1.322 3.745 1.00 0.00 C ATOM 387 O ILE A 55 -3.626 -0.698 3.529 1.00 0.00 O ATOM 388 CB ILE A 55 -0.427 -0.412 2.860 1.00 0.00 C ATOM 389 CG1 ILE A 55 0.202 -1.744 2.456 1.00 0.00 C ATOM 390 CG2 ILE A 55 0.689 0.579 3.152 1.00 0.00 C ATOM 391 CD1 ILE A 55 1.419 -1.696 1.545 1.00 0.00 C ATOM 0 H ILE A 55 0.326 -1.538 5.013 1.00 0.00 H new ATOM 0 HA ILE A 55 -1.576 0.432 4.455 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.055 -0.055 2.044 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.483 -2.273 3.366 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.564 -2.343 1.963 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.318 0.689 2.269 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.258 1.546 3.413 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.291 0.214 3.984 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.760 -2.711 1.340 1.00 0.00 H new ATOM 0 HD12 ILE A 55 1.153 -1.206 0.608 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.217 -1.136 2.033 1.00 0.00 H new ATOM 403 N TYR A 56 -2.552 -2.656 3.697 1.00 0.00 N ATOM 404 CA TYR A 56 -3.746 -3.465 3.556 1.00 0.00 C ATOM 405 C TYR A 56 -4.696 -3.411 4.750 1.00 0.00 C ATOM 406 O TYR A 56 -5.906 -3.451 4.558 1.00 0.00 O ATOM 407 CB TYR A 56 -3.280 -4.893 3.375 1.00 0.00 C ATOM 408 CG TYR A 56 -4.433 -5.823 3.110 1.00 0.00 C ATOM 409 CD1 TYR A 56 -5.243 -5.619 1.984 1.00 0.00 C ATOM 410 CD2 TYR A 56 -4.696 -6.871 3.996 1.00 0.00 C ATOM 411 CE1 TYR A 56 -6.347 -6.452 1.746 1.00 0.00 C ATOM 412 CE2 TYR A 56 -5.791 -7.732 3.756 1.00 0.00 C ATOM 413 CZ TYR A 56 -6.624 -7.517 2.628 1.00 0.00 C ATOM 414 OH TYR A 56 -7.669 -8.345 2.356 1.00 0.00 O ATOM 0 H TYR A 56 -1.689 -3.196 3.755 1.00 0.00 H new ATOM 0 HA TYR A 56 -4.313 -3.075 2.711 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -2.573 -4.943 2.547 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -2.747 -5.218 4.269 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -5.016 -4.817 1.297 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -4.066 -7.022 4.860 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -6.982 -6.278 0.890 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -5.993 -8.552 4.430 1.00 0.00 H new ATOM 0 HH TYR A 56 -8.114 -8.051 1.534 1.00 0.00 H new ATOM 424 N ALA A 57 -4.169 -3.280 5.964 1.00 0.00 N ATOM 425 CA ALA A 57 -4.986 -3.200 7.175 1.00 0.00 C ATOM 426 C ALA A 57 -5.952 -2.007 7.195 1.00 0.00 C ATOM 427 O ALA A 57 -6.944 -2.047 7.926 1.00 0.00 O ATOM 428 CB ALA A 57 -4.095 -3.163 8.413 1.00 0.00 C ATOM 0 H ALA A 57 -3.165 -3.226 6.138 1.00 0.00 H new ATOM 0 HA ALA A 57 -5.603 -4.098 7.179 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -4.716 -3.103 9.307 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.489 -4.068 8.452 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.443 -2.291 8.366 1.00 0.00 H new ATOM 434 N GLN A 58 -5.699 -0.966 6.386 1.00 0.00 N ATOM 435 CA GLN A 58 -6.616 0.171 6.327 1.00 0.00 C ATOM 436 C GLN A 58 -7.794 -0.053 5.354 1.00 0.00 C ATOM 437 O GLN A 58 -8.694 0.780 5.282 1.00 0.00 O ATOM 438 CB GLN A 58 -5.846 1.439 5.935 1.00 0.00 C ATOM 439 CG GLN A 58 -4.567 1.739 6.733 1.00 0.00 C ATOM 440 CD GLN A 58 -4.721 1.640 8.237 1.00 0.00 C ATOM 441 OE1 GLN A 58 -5.710 2.057 8.837 1.00 0.00 O ATOM 442 NE2 GLN A 58 -3.734 1.074 8.877 1.00 0.00 N ATOM 0 H GLN A 58 -4.884 -0.892 5.778 1.00 0.00 H new ATOM 0 HA GLN A 58 -7.047 0.284 7.322 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -5.581 1.365 4.880 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -6.518 2.291 6.035 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -3.786 1.048 6.415 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -4.225 2.743 6.482 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.921 0.734 8.363 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -3.776 0.972 9.891 1.00 0.00 H new ATOM 451 N ILE A 59 -7.777 -1.125 4.552 1.00 0.00 N ATOM 452 CA ILE A 59 -8.713 -1.336 3.438 1.00 0.00 C ATOM 453 C ILE A 59 -9.998 -2.059 3.910 1.00 0.00 C ATOM 454 O ILE A 59 -9.910 -3.151 4.480 1.00 0.00 O ATOM 455 CB ILE A 59 -7.970 -2.072 2.308 1.00 0.00 C ATOM 456 CG1 ILE A 59 -6.830 -1.138 1.829 1.00 0.00 C ATOM 457 CG2 ILE A 59 -8.908 -2.445 1.153 1.00 0.00 C ATOM 458 CD1 ILE A 59 -5.995 -1.695 0.688 1.00 0.00 C ATOM 0 H ILE A 59 -7.102 -1.883 4.660 1.00 0.00 H new ATOM 0 HA ILE A 59 -9.058 -0.379 3.046 1.00 0.00 H new ATOM 0 HB ILE A 59 -7.567 -3.015 2.677 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -7.263 -0.188 1.515 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.173 -0.925 2.673 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -8.343 -2.962 0.378 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -9.698 -3.098 1.523 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -9.350 -1.540 0.737 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -5.222 -0.976 0.418 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.528 -2.629 1.001 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -6.635 -1.881 -0.174 1.00 0.00 H new ATOM 470 N PRO A 60 -11.198 -1.472 3.700 1.00 0.00 N ATOM 471 CA PRO A 60 -12.453 -1.976 4.261 1.00 0.00 C ATOM 472 C PRO A 60 -13.059 -3.156 3.483 1.00 0.00 C ATOM 473 O PRO A 60 -12.996 -3.257 2.258 1.00 0.00 O ATOM 474 CB PRO A 60 -13.403 -0.772 4.278 1.00 0.00 C ATOM 475 CG PRO A 60 -12.934 0.058 3.085 1.00 0.00 C ATOM 476 CD PRO A 60 -11.423 -0.166 3.088 1.00 0.00 C ATOM 0 HA PRO A 60 -12.276 -2.386 5.255 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -14.444 -1.078 4.171 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -13.329 -0.214 5.211 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -13.391 -0.278 2.154 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -13.187 1.112 3.201 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -11.025 -0.139 2.074 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -10.916 0.618 3.650 1.00 0.00 H new ATOM 484 N GLN A 61 -13.725 -4.030 4.242 1.00 0.00 N ATOM 485 CA GLN A 61 -14.235 -5.334 3.811 1.00 0.00 C ATOM 486 C GLN A 61 -15.390 -5.264 2.801 1.00 0.00 C ATOM 487 O GLN A 61 -15.524 -6.181 1.997 1.00 0.00 O ATOM 488 CB GLN A 61 -14.673 -6.139 5.052 1.00 0.00 C ATOM 489 CG GLN A 61 -13.506 -6.622 5.939 1.00 0.00 C ATOM 490 CD GLN A 61 -12.678 -5.491 6.550 1.00 0.00 C ATOM 491 OE1 GLN A 61 -13.200 -4.506 7.050 1.00 0.00 O ATOM 492 NE2 GLN A 61 -11.368 -5.521 6.437 1.00 0.00 N ATOM 0 H GLN A 61 -13.933 -3.838 5.222 1.00 0.00 H new ATOM 0 HA GLN A 61 -13.416 -5.827 3.286 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -15.340 -5.522 5.654 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -15.248 -7.005 4.725 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -13.906 -7.240 6.743 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -12.850 -7.258 5.344 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -10.910 -6.333 6.023 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -10.810 -4.732 6.764 1.00 0.00 H new ATOM 501 N GLU A 62 -16.198 -4.194 2.787 1.00 0.00 N ATOM 502 CA GLU A 62 -17.311 -4.020 1.826 1.00 0.00 C ATOM 503 C GLU A 62 -16.857 -4.143 0.350 1.00 0.00 C ATOM 504 O GLU A 62 -17.625 -4.581 -0.508 1.00 0.00 O ATOM 505 CB GLU A 62 -18.046 -2.675 2.053 1.00 0.00 C ATOM 506 CG GLU A 62 -18.658 -2.555 3.461 1.00 0.00 C ATOM 507 CD GLU A 62 -19.657 -1.390 3.623 1.00 0.00 C ATOM 508 OE1 GLU A 62 -19.337 -0.225 3.299 1.00 0.00 O ATOM 509 OE2 GLU A 62 -20.760 -1.626 4.185 1.00 0.00 O ATOM 0 H GLU A 62 -16.102 -3.418 3.442 1.00 0.00 H new ATOM 0 HA GLU A 62 -18.006 -4.838 2.018 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -17.347 -1.854 1.895 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -18.836 -2.568 1.309 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -19.165 -3.489 3.705 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -17.853 -2.431 4.185 1.00 0.00 H new ATOM 516 N LEU A 63 -15.588 -3.816 0.073 1.00 0.00 N ATOM 517 CA LEU A 63 -14.929 -3.873 -1.242 1.00 0.00 C ATOM 518 C LEU A 63 -14.599 -5.292 -1.714 1.00 0.00 C ATOM 519 O LEU A 63 -14.385 -5.525 -2.898 1.00 0.00 O ATOM 520 CB LEU A 63 -13.590 -3.127 -1.144 1.00 0.00 C ATOM 521 CG LEU A 63 -13.674 -1.691 -0.612 1.00 0.00 C ATOM 522 CD1 LEU A 63 -12.252 -1.156 -0.542 1.00 0.00 C ATOM 523 CD2 LEU A 63 -14.565 -0.850 -1.511 1.00 0.00 C ATOM 0 H LEU A 63 -14.956 -3.485 0.802 1.00 0.00 H new ATOM 0 HA LEU A 63 -15.629 -3.433 -1.952 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -12.922 -3.697 -0.498 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -13.133 -3.104 -2.133 1.00 0.00 H new ATOM 0 HG LEU A 63 -14.123 -1.656 0.381 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -12.266 -0.133 -0.167 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -11.661 -1.780 0.128 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.808 -1.171 -1.537 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -14.617 0.167 -1.123 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -14.152 -0.833 -2.520 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -15.566 -1.280 -1.536 1.00 0.00 H new ATOM 535 N GLU A 64 -14.462 -6.201 -0.752 1.00 0.00 N ATOM 536 CA GLU A 64 -14.079 -7.622 -0.920 1.00 0.00 C ATOM 537 C GLU A 64 -12.643 -7.830 -1.461 1.00 0.00 C ATOM 538 O GLU A 64 -12.304 -8.873 -2.023 1.00 0.00 O ATOM 539 CB GLU A 64 -15.131 -8.393 -1.751 1.00 0.00 C ATOM 540 CG GLU A 64 -16.551 -8.293 -1.183 1.00 0.00 C ATOM 541 CD GLU A 64 -17.544 -9.108 -2.025 1.00 0.00 C ATOM 542 OE1 GLU A 64 -17.543 -10.367 -1.952 1.00 0.00 O ATOM 543 OE2 GLU A 64 -18.322 -8.474 -2.777 1.00 0.00 O ATOM 0 H GLU A 64 -14.622 -5.963 0.227 1.00 0.00 H new ATOM 0 HA GLU A 64 -14.064 -8.046 0.084 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -15.128 -8.010 -2.771 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -14.842 -9.443 -1.804 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -16.560 -8.654 -0.154 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -16.863 -7.249 -1.158 1.00 0.00 H new ATOM 550 N TRP A 65 -11.769 -6.825 -1.339 1.00 0.00 N ATOM 551 CA TRP A 65 -10.392 -6.889 -1.830 1.00 0.00 C ATOM 552 C TRP A 65 -9.497 -7.847 -1.020 1.00 0.00 C ATOM 553 O TRP A 65 -8.944 -7.485 0.019 1.00 0.00 O ATOM 554 CB TRP A 65 -9.808 -5.471 -1.921 1.00 0.00 C ATOM 555 CG TRP A 65 -10.298 -4.627 -3.067 1.00 0.00 C ATOM 556 CD1 TRP A 65 -11.383 -4.865 -3.846 1.00 0.00 C ATOM 557 CD2 TRP A 65 -9.695 -3.412 -3.614 1.00 0.00 C ATOM 558 NE1 TRP A 65 -11.487 -3.899 -4.823 1.00 0.00 N ATOM 559 CE2 TRP A 65 -10.452 -2.996 -4.751 1.00 0.00 C ATOM 560 CE3 TRP A 65 -8.565 -2.633 -3.276 1.00 0.00 C ATOM 561 CZ2 TRP A 65 -10.090 -1.895 -5.537 1.00 0.00 C ATOM 562 CZ3 TRP A 65 -8.205 -1.511 -4.046 1.00 0.00 C ATOM 563 CH2 TRP A 65 -8.952 -1.154 -5.185 1.00 0.00 C ATOM 0 H TRP A 65 -12.001 -5.938 -0.893 1.00 0.00 H new ATOM 0 HA TRP A 65 -10.417 -7.320 -2.831 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -10.029 -4.948 -0.990 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -8.723 -5.550 -1.992 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -12.066 -5.692 -3.719 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -12.237 -3.859 -5.513 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -7.970 -2.902 -2.416 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -10.678 -1.621 -6.401 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -7.348 -0.919 -3.761 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -8.649 -0.310 -5.787 1.00 0.00 H new ATOM 574 N SER A 66 -9.323 -9.073 -1.524 1.00 0.00 N ATOM 575 CA SER A 66 -8.345 -10.062 -1.035 1.00 0.00 C ATOM 576 C SER A 66 -6.898 -9.559 -1.121 1.00 0.00 C ATOM 577 O SER A 66 -6.555 -8.846 -2.060 1.00 0.00 O ATOM 578 CB SER A 66 -8.492 -11.362 -1.838 1.00 0.00 C ATOM 579 OG SER A 66 -9.825 -11.842 -1.788 1.00 0.00 O ATOM 0 H SER A 66 -9.875 -9.420 -2.309 1.00 0.00 H new ATOM 0 HA SER A 66 -8.558 -10.238 0.019 1.00 0.00 H new ATOM 0 HB2 SER A 66 -8.203 -11.188 -2.874 1.00 0.00 H new ATOM 0 HB3 SER A 66 -7.814 -12.118 -1.441 1.00 0.00 H new ATOM 0 HG SER A 66 -9.894 -12.670 -2.308 1.00 0.00 H new ATOM 585 N LEU A 67 -6.032 -9.952 -0.170 1.00 0.00 N ATOM 586 CA LEU A 67 -4.696 -9.395 0.036 1.00 0.00 C ATOM 587 C LEU A 67 -3.824 -9.200 -1.213 1.00 0.00 C ATOM 588 O LEU A 67 -3.045 -8.254 -1.268 1.00 0.00 O ATOM 589 CB LEU A 67 -3.951 -10.238 1.081 1.00 0.00 C ATOM 590 CG LEU A 67 -3.261 -9.434 2.193 1.00 0.00 C ATOM 591 CD1 LEU A 67 -2.177 -10.289 2.802 1.00 0.00 C ATOM 592 CD2 LEU A 67 -2.623 -8.120 1.769 1.00 0.00 C ATOM 0 H LEU A 67 -6.257 -10.692 0.495 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.873 -8.377 0.383 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.658 -10.929 1.539 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.200 -10.841 0.571 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.059 -9.172 2.887 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.677 -9.732 3.594 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.619 -11.195 3.218 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.452 -10.559 2.034 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.167 -7.641 2.635 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.858 -8.313 1.017 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.386 -7.463 1.351 1.00 0.00 H new ATOM 604 N ALA A 68 -3.941 -10.060 -2.226 1.00 0.00 N ATOM 605 CA ALA A 68 -3.219 -9.864 -3.476 1.00 0.00 C ATOM 606 C ALA A 68 -3.565 -8.524 -4.167 1.00 0.00 C ATOM 607 O ALA A 68 -2.662 -7.873 -4.699 1.00 0.00 O ATOM 608 CB ALA A 68 -3.493 -11.062 -4.394 1.00 0.00 C ATOM 0 H ALA A 68 -4.527 -10.894 -2.202 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.153 -9.806 -3.254 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.959 -10.929 -5.335 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.153 -11.977 -3.909 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.563 -11.132 -4.591 1.00 0.00 H new ATOM 614 N THR A 69 -4.834 -8.078 -4.137 1.00 0.00 N ATOM 615 CA THR A 69 -5.298 -6.935 -4.956 1.00 0.00 C ATOM 616 C THR A 69 -4.583 -5.623 -4.623 1.00 0.00 C ATOM 617 O THR A 69 -4.062 -4.954 -5.517 1.00 0.00 O ATOM 618 CB THR A 69 -6.821 -6.724 -4.889 1.00 0.00 C ATOM 619 OG1 THR A 69 -7.480 -7.901 -5.288 1.00 0.00 O ATOM 620 CG2 THR A 69 -7.230 -5.614 -5.860 1.00 0.00 C ATOM 0 H THR A 69 -5.561 -8.491 -3.553 1.00 0.00 H new ATOM 0 HA THR A 69 -5.036 -7.214 -5.977 1.00 0.00 H new ATOM 0 HB THR A 69 -7.091 -6.460 -3.867 1.00 0.00 H new ATOM 0 HG1 THR A 69 -8.449 -7.765 -5.243 1.00 0.00 H new ATOM 0 HG21 THR A 69 -8.309 -5.467 -5.811 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.724 -4.688 -5.587 1.00 0.00 H new ATOM 0 HG23 THR A 69 -6.948 -5.896 -6.875 1.00 0.00 H new ATOM 628 N VAL A 70 -4.481 -5.252 -3.345 1.00 0.00 N ATOM 629 CA VAL A 70 -3.716 -4.072 -2.957 1.00 0.00 C ATOM 630 C VAL A 70 -2.272 -4.127 -3.444 1.00 0.00 C ATOM 631 O VAL A 70 -1.750 -3.126 -3.914 1.00 0.00 O ATOM 632 CB VAL A 70 -3.796 -3.840 -1.436 1.00 0.00 C ATOM 633 CG1 VAL A 70 -3.071 -4.900 -0.612 1.00 0.00 C ATOM 634 CG2 VAL A 70 -3.155 -2.499 -1.121 1.00 0.00 C ATOM 0 H VAL A 70 -4.916 -5.750 -2.568 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.173 -3.216 -3.453 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.852 -3.882 -1.169 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.172 -4.669 0.448 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.507 -5.878 -0.813 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.015 -4.911 -0.882 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.202 -2.317 -0.047 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -2.113 -2.509 -1.442 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.689 -1.708 -1.647 1.00 0.00 H new ATOM 644 N LYS A 71 -1.605 -5.279 -3.352 1.00 0.00 N ATOM 645 CA LYS A 71 -0.183 -5.442 -3.694 1.00 0.00 C ATOM 646 C LYS A 71 0.077 -5.239 -5.182 1.00 0.00 C ATOM 647 O LYS A 71 1.011 -4.529 -5.548 1.00 0.00 O ATOM 648 CB LYS A 71 0.315 -6.812 -3.225 1.00 0.00 C ATOM 649 CG LYS A 71 0.127 -6.966 -1.714 1.00 0.00 C ATOM 650 CD LYS A 71 0.793 -8.263 -1.278 1.00 0.00 C ATOM 651 CE LYS A 71 0.556 -8.576 0.205 1.00 0.00 C ATOM 652 NZ LYS A 71 1.617 -9.471 0.730 1.00 0.00 N ATOM 0 H LYS A 71 -2.042 -6.143 -3.032 1.00 0.00 H new ATOM 0 HA LYS A 71 0.378 -4.666 -3.172 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -0.228 -7.600 -3.747 1.00 0.00 H new ATOM 0 HB3 LYS A 71 1.368 -6.929 -3.479 1.00 0.00 H new ATOM 0 HG2 LYS A 71 0.567 -6.118 -1.189 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -0.934 -6.981 -1.463 1.00 0.00 H new ATOM 0 HD2 LYS A 71 0.412 -9.085 -1.885 1.00 0.00 H new ATOM 0 HD3 LYS A 71 1.865 -8.198 -1.465 1.00 0.00 H new ATOM 0 HE2 LYS A 71 0.539 -7.649 0.779 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -0.419 -9.047 0.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 1.456 -9.643 1.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 1.593 -10.376 0.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 2.546 -9.023 0.598 1.00 0.00 H new ATOM 666 N THR A 72 -0.802 -5.776 -6.023 1.00 0.00 N ATOM 667 CA THR A 72 -0.751 -5.532 -7.485 1.00 0.00 C ATOM 668 C THR A 72 -1.047 -4.069 -7.861 1.00 0.00 C ATOM 669 O THR A 72 -0.424 -3.537 -8.785 1.00 0.00 O ATOM 670 CB THR A 72 -1.601 -6.546 -8.271 1.00 0.00 C ATOM 671 OG1 THR A 72 -1.447 -6.402 -9.666 1.00 0.00 O ATOM 672 CG2 THR A 72 -3.083 -6.471 -7.963 1.00 0.00 C ATOM 0 H THR A 72 -1.565 -6.386 -5.729 1.00 0.00 H new ATOM 0 HA THR A 72 0.282 -5.700 -7.791 1.00 0.00 H new ATOM 0 HB THR A 72 -1.223 -7.514 -7.943 1.00 0.00 H new ATOM 0 HG1 THR A 72 -2.002 -7.065 -10.127 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.616 -7.215 -8.555 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.245 -6.667 -6.903 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.456 -5.477 -8.209 1.00 0.00 H new ATOM 680 N LEU A 73 -1.912 -3.364 -7.109 1.00 0.00 N ATOM 681 CA LEU A 73 -2.281 -1.970 -7.336 1.00 0.00 C ATOM 682 C LEU A 73 -1.174 -1.011 -6.823 1.00 0.00 C ATOM 683 O LEU A 73 -0.702 -0.119 -7.533 1.00 0.00 O ATOM 684 CB LEU A 73 -3.636 -1.832 -6.619 1.00 0.00 C ATOM 685 CG LEU A 73 -4.541 -0.689 -7.062 1.00 0.00 C ATOM 686 CD1 LEU A 73 -5.765 -0.712 -6.152 1.00 0.00 C ATOM 687 CD2 LEU A 73 -3.816 0.637 -6.934 1.00 0.00 C ATOM 0 H LEU A 73 -2.385 -3.770 -6.302 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.376 -1.697 -8.387 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.183 -2.766 -6.747 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.444 -1.718 -5.552 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.831 -0.806 -8.106 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -6.443 0.093 -6.434 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -6.276 -1.669 -6.254 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.451 -0.576 -5.117 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.475 1.444 -7.254 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.527 0.795 -5.895 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.924 0.626 -7.561 1.00 0.00 H new ATOM 699 N LEU A 74 -0.655 -1.276 -5.624 1.00 0.00 N ATOM 700 CA LEU A 74 0.551 -0.653 -5.064 1.00 0.00 C ATOM 701 C LEU A 74 1.690 -0.714 -6.044 1.00 0.00 C ATOM 702 O LEU A 74 2.319 0.280 -6.364 1.00 0.00 O ATOM 703 CB LEU A 74 0.998 -1.479 -3.850 1.00 0.00 C ATOM 704 CG LEU A 74 0.316 -1.026 -2.573 1.00 0.00 C ATOM 705 CD1 LEU A 74 0.592 -2.049 -1.497 1.00 0.00 C ATOM 706 CD2 LEU A 74 0.927 0.296 -2.140 1.00 0.00 C ATOM 0 H LEU A 74 -1.076 -1.955 -4.990 1.00 0.00 H new ATOM 0 HA LEU A 74 0.316 0.382 -4.814 1.00 0.00 H new ATOM 0 HB2 LEU A 74 0.776 -2.532 -4.026 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.079 -1.396 -3.733 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.756 -0.916 -2.734 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.109 -1.741 -0.570 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.199 -3.017 -1.806 1.00 0.00 H new ATOM 0 HD13 LEU A 74 1.667 -2.128 -1.337 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.447 0.635 -1.222 1.00 0.00 H new ATOM 0 HD22 LEU A 74 1.994 0.163 -1.963 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.779 1.039 -2.923 1.00 0.00 H new ATOM 718 N GLY A 75 1.858 -1.904 -6.601 1.00 0.00 N ATOM 719 CA GLY A 75 2.839 -2.249 -7.629 1.00 0.00 C ATOM 720 C GLY A 75 2.776 -1.309 -8.840 1.00 0.00 C ATOM 721 O GLY A 75 3.784 -1.149 -9.518 1.00 0.00 O ATOM 0 H GLY A 75 1.282 -2.703 -6.335 1.00 0.00 H new ATOM 0 HA2 GLY A 75 3.840 -2.215 -7.198 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.669 -3.274 -7.959 1.00 0.00 H new ATOM 725 N ARG A 76 1.618 -0.686 -9.086 1.00 0.00 N ATOM 726 CA ARG A 76 1.430 0.405 -10.053 1.00 0.00 C ATOM 727 C ARG A 76 1.825 1.749 -9.449 1.00 0.00 C ATOM 728 O ARG A 76 2.602 2.470 -10.068 1.00 0.00 O ATOM 729 CB ARG A 76 -0.018 0.463 -10.555 1.00 0.00 C ATOM 730 CG ARG A 76 -0.541 -0.859 -11.140 1.00 0.00 C ATOM 731 CD ARG A 76 -0.248 -0.975 -12.641 1.00 0.00 C ATOM 732 NE ARG A 76 -0.812 -2.222 -13.178 1.00 0.00 N ATOM 733 CZ ARG A 76 -1.333 -2.425 -14.368 1.00 0.00 C ATOM 734 NH1 ARG A 76 -1.308 -1.547 -15.323 1.00 0.00 N ATOM 735 NH2 ARG A 76 -1.885 -3.556 -14.661 1.00 0.00 N ATOM 0 H ARG A 76 0.756 -0.935 -8.602 1.00 0.00 H new ATOM 0 HA ARG A 76 2.081 0.199 -10.902 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -0.664 0.762 -9.730 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -0.095 1.239 -11.317 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -0.081 -1.696 -10.614 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.616 -0.930 -10.973 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -0.672 -0.120 -13.168 1.00 0.00 H new ATOM 0 HD3 ARG A 76 0.828 -0.952 -12.811 1.00 0.00 H new ATOM 0 HE ARG A 76 -0.797 -3.027 -12.552 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -0.866 -0.640 -15.171 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -1.730 -1.764 -16.226 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -1.920 -4.302 -13.966 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -2.286 -3.703 -15.587 1.00 0.00 H new ATOM 749 N LEU A 77 1.322 2.102 -8.252 1.00 0.00 N ATOM 750 CA LEU A 77 1.655 3.385 -7.600 1.00 0.00 C ATOM 751 C LEU A 77 3.163 3.623 -7.440 1.00 0.00 C ATOM 752 O LEU A 77 3.666 4.710 -7.735 1.00 0.00 O ATOM 753 CB LEU A 77 1.064 3.442 -6.185 1.00 0.00 C ATOM 754 CG LEU A 77 -0.361 2.923 -6.015 1.00 0.00 C ATOM 755 CD1 LEU A 77 -0.753 3.149 -4.570 1.00 0.00 C ATOM 756 CD2 LEU A 77 -1.324 3.586 -6.970 1.00 0.00 C ATOM 0 H LEU A 77 0.682 1.517 -7.715 1.00 0.00 H new ATOM 0 HA LEU A 77 1.237 4.146 -8.258 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.715 2.872 -5.521 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.091 4.478 -5.846 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.403 1.861 -6.256 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.769 2.790 -4.408 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.068 2.607 -3.918 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.704 4.214 -4.342 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.326 3.186 -6.813 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.331 4.661 -6.792 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.012 3.390 -7.996 1.00 0.00 H new ATOM 768 N VAL A 78 3.831 2.590 -6.925 1.00 0.00 N ATOM 769 CA VAL A 78 5.282 2.616 -6.607 1.00 0.00 C ATOM 770 C VAL A 78 6.161 2.741 -7.861 1.00 0.00 C ATOM 771 O VAL A 78 7.219 3.358 -7.824 1.00 0.00 O ATOM 772 CB VAL A 78 5.799 1.486 -5.655 1.00 0.00 C ATOM 773 CG1 VAL A 78 4.780 0.773 -4.748 1.00 0.00 C ATOM 774 CG2 VAL A 78 6.592 0.359 -6.331 1.00 0.00 C ATOM 0 H VAL A 78 3.387 1.697 -6.710 1.00 0.00 H new ATOM 0 HA VAL A 78 5.385 3.529 -6.021 1.00 0.00 H new ATOM 0 HB VAL A 78 6.436 2.122 -5.040 1.00 0.00 H new ATOM 0 HG11 VAL A 78 5.291 0.018 -4.150 1.00 0.00 H new ATOM 0 HG12 VAL A 78 4.308 1.501 -4.088 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.018 0.294 -5.363 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.902 -0.369 -5.581 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.965 -0.132 -7.075 1.00 0.00 H new ATOM 0 HG23 VAL A 78 7.474 0.776 -6.818 1.00 0.00 H new ATOM 784 N LYS A 79 5.742 2.138 -8.982 1.00 0.00 N ATOM 785 CA LYS A 79 6.430 2.197 -10.286 1.00 0.00 C ATOM 786 C LYS A 79 6.172 3.515 -11.004 1.00 0.00 C ATOM 787 O LYS A 79 7.074 4.062 -11.624 1.00 0.00 O ATOM 788 CB LYS A 79 5.915 1.042 -11.147 1.00 0.00 C ATOM 789 CG LYS A 79 6.968 0.094 -11.663 1.00 0.00 C ATOM 790 CD LYS A 79 7.370 -0.913 -10.588 1.00 0.00 C ATOM 791 CE LYS A 79 8.019 -0.269 -9.386 1.00 0.00 C ATOM 792 NZ LYS A 79 8.630 -1.257 -8.458 1.00 0.00 N ATOM 0 H LYS A 79 4.890 1.578 -9.011 1.00 0.00 H new ATOM 0 HA LYS A 79 7.504 2.119 -10.120 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.193 0.471 -10.563 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.378 1.459 -11.999 1.00 0.00 H new ATOM 0 HG2 LYS A 79 6.590 -0.434 -12.538 1.00 0.00 H new ATOM 0 HG3 LYS A 79 7.844 0.657 -11.985 1.00 0.00 H new ATOM 0 HD2 LYS A 79 6.486 -1.463 -10.265 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.058 -1.640 -11.019 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.787 0.427 -9.724 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.274 0.315 -8.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.060 -0.758 -7.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 7.896 -1.907 -8.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.362 -1.798 -8.960 1.00 0.00 H new ATOM 806 N LYS A 80 4.923 3.971 -10.895 1.00 0.00 N ATOM 807 CA LYS A 80 4.446 5.308 -11.312 1.00 0.00 C ATOM 808 C LYS A 80 5.265 6.433 -10.683 1.00 0.00 C ATOM 809 O LYS A 80 6.246 6.869 -11.281 1.00 0.00 O ATOM 810 CB LYS A 80 2.924 5.476 -11.099 1.00 0.00 C ATOM 811 CG LYS A 80 2.041 4.802 -12.164 1.00 0.00 C ATOM 812 CD LYS A 80 1.952 5.614 -13.468 1.00 0.00 C ATOM 813 CE LYS A 80 0.838 5.050 -14.362 1.00 0.00 C ATOM 814 NZ LYS A 80 0.675 5.839 -15.607 1.00 0.00 N ATOM 0 H LYS A 80 4.177 3.400 -10.497 1.00 0.00 H new ATOM 0 HA LYS A 80 4.609 5.383 -12.387 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.662 5.071 -10.122 1.00 0.00 H new ATOM 0 HB3 LYS A 80 2.691 6.540 -11.076 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.439 3.812 -12.385 1.00 0.00 H new ATOM 0 HG3 LYS A 80 1.038 4.660 -11.761 1.00 0.00 H new ATOM 0 HD2 LYS A 80 1.753 6.661 -13.241 1.00 0.00 H new ATOM 0 HD3 LYS A 80 2.906 5.578 -13.995 1.00 0.00 H new ATOM 0 HE2 LYS A 80 1.065 4.015 -14.616 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -0.102 5.044 -13.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -0.086 5.426 -16.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 0.433 6.821 -15.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 1.564 5.824 -16.147 1.00 0.00 H new ATOM 828 N GLU A 81 4.839 6.961 -9.529 1.00 0.00 N ATOM 829 CA GLU A 81 5.478 8.133 -8.910 1.00 0.00 C ATOM 830 C GLU A 81 4.938 8.531 -7.517 1.00 0.00 C ATOM 831 O GLU A 81 5.100 9.684 -7.125 1.00 0.00 O ATOM 832 CB GLU A 81 5.415 9.362 -9.857 1.00 0.00 C ATOM 833 CG GLU A 81 6.789 10.050 -9.868 1.00 0.00 C ATOM 834 CD GLU A 81 6.760 11.457 -10.465 1.00 0.00 C ATOM 835 OE1 GLU A 81 5.836 11.797 -11.235 1.00 0.00 O ATOM 836 OE2 GLU A 81 7.681 12.243 -10.137 1.00 0.00 O ATOM 0 H GLU A 81 4.048 6.593 -9.000 1.00 0.00 H new ATOM 0 HA GLU A 81 6.509 7.817 -8.748 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.142 9.048 -10.865 1.00 0.00 H new ATOM 0 HB3 GLU A 81 4.647 10.058 -9.521 1.00 0.00 H new ATOM 0 HG2 GLU A 81 7.168 10.104 -8.847 1.00 0.00 H new ATOM 0 HG3 GLU A 81 7.489 9.437 -10.436 1.00 0.00 H new ATOM 843 N MET A 82 4.242 7.653 -6.784 1.00 0.00 N ATOM 844 CA MET A 82 3.815 8.004 -5.430 1.00 0.00 C ATOM 845 C MET A 82 4.965 7.812 -4.445 1.00 0.00 C ATOM 846 O MET A 82 5.612 8.765 -4.021 1.00 0.00 O ATOM 847 CB MET A 82 2.610 7.160 -4.999 1.00 0.00 C ATOM 848 CG MET A 82 1.343 7.535 -5.752 1.00 0.00 C ATOM 849 SD MET A 82 -0.163 7.132 -4.831 1.00 0.00 S ATOM 850 CE MET A 82 -0.126 8.450 -3.580 1.00 0.00 C ATOM 0 H MET A 82 3.970 6.721 -7.096 1.00 0.00 H new ATOM 0 HA MET A 82 3.518 9.053 -5.431 1.00 0.00 H new ATOM 0 HB2 MET A 82 2.830 6.105 -5.165 1.00 0.00 H new ATOM 0 HB3 MET A 82 2.445 7.286 -3.929 1.00 0.00 H new ATOM 0 HG2 MET A 82 1.357 8.603 -5.968 1.00 0.00 H new ATOM 0 HG3 MET A 82 1.328 7.016 -6.710 1.00 0.00 H new ATOM 0 HE1 MET A 82 -0.297 8.020 -2.593 1.00 0.00 H new ATOM 0 HE2 MET A 82 0.847 8.942 -3.598 1.00 0.00 H new ATOM 0 HE3 MET A 82 -0.906 9.180 -3.797 1.00 0.00 H new ATOM 860 N LEU A 83 5.180 6.560 -4.048 1.00 0.00 N ATOM 861 CA LEU A 83 6.058 6.182 -2.945 1.00 0.00 C ATOM 862 C LEU A 83 7.042 5.129 -3.400 1.00 0.00 C ATOM 863 O LEU A 83 6.754 4.370 -4.319 1.00 0.00 O ATOM 864 CB LEU A 83 5.246 5.592 -1.765 1.00 0.00 C ATOM 865 CG LEU A 83 4.068 6.411 -1.207 1.00 0.00 C ATOM 866 CD1 LEU A 83 3.762 5.971 0.224 1.00 0.00 C ATOM 867 CD2 LEU A 83 4.336 7.904 -1.220 1.00 0.00 C ATOM 0 H LEU A 83 4.736 5.759 -4.497 1.00 0.00 H new ATOM 0 HA LEU A 83 6.580 7.082 -2.621 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.858 4.624 -2.080 1.00 0.00 H new ATOM 0 HB3 LEU A 83 5.939 5.406 -0.945 1.00 0.00 H new ATOM 0 HG LEU A 83 3.214 6.222 -1.858 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.928 6.554 0.613 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.500 4.913 0.231 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.640 6.132 0.850 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.472 8.432 -0.816 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.213 8.122 -0.610 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.516 8.232 -2.244 1.00 0.00 H new ATOM 879 N SER A 84 8.153 5.007 -2.686 1.00 0.00 N ATOM 880 CA SER A 84 9.059 3.867 -2.868 1.00 0.00 C ATOM 881 C SER A 84 8.823 2.824 -1.785 1.00 0.00 C ATOM 882 O SER A 84 8.048 3.009 -0.846 1.00 0.00 O ATOM 883 CB SER A 84 10.530 4.268 -2.870 1.00 0.00 C ATOM 884 OG SER A 84 10.800 5.266 -3.843 1.00 0.00 O ATOM 0 H SER A 84 8.453 5.677 -1.977 1.00 0.00 H new ATOM 0 HA SER A 84 8.833 3.450 -3.849 1.00 0.00 H new ATOM 0 HB2 SER A 84 10.808 4.637 -1.883 1.00 0.00 H new ATOM 0 HB3 SER A 84 11.146 3.391 -3.067 1.00 0.00 H new ATOM 0 HG SER A 84 11.751 5.501 -3.816 1.00 0.00 H new ATOM 890 N THR A 85 9.486 1.682 -1.908 1.00 0.00 N ATOM 891 CA THR A 85 9.359 0.611 -0.920 1.00 0.00 C ATOM 892 C THR A 85 10.656 -0.191 -0.784 1.00 0.00 C ATOM 893 O THR A 85 11.386 -0.380 -1.756 1.00 0.00 O ATOM 894 CB THR A 85 8.132 -0.237 -1.287 1.00 0.00 C ATOM 895 OG1 THR A 85 8.004 -1.349 -0.444 1.00 0.00 O ATOM 896 CG2 THR A 85 8.165 -0.720 -2.735 1.00 0.00 C ATOM 0 H THR A 85 10.118 1.470 -2.680 1.00 0.00 H new ATOM 0 HA THR A 85 9.196 1.025 0.075 1.00 0.00 H new ATOM 0 HB THR A 85 7.272 0.421 -1.160 1.00 0.00 H new ATOM 0 HG1 THR A 85 8.103 -1.066 0.489 1.00 0.00 H new ATOM 0 HG21 THR A 85 7.275 -1.314 -2.941 1.00 0.00 H new ATOM 0 HG22 THR A 85 8.190 0.140 -3.405 1.00 0.00 H new ATOM 0 HG23 THR A 85 9.054 -1.331 -2.895 1.00 0.00 H new ATOM 904 N GLU A 86 10.941 -0.629 0.438 1.00 0.00 N ATOM 905 CA GLU A 86 12.175 -1.294 0.873 1.00 0.00 C ATOM 906 C GLU A 86 11.900 -2.357 1.950 1.00 0.00 C ATOM 907 O GLU A 86 10.822 -2.406 2.557 1.00 0.00 O ATOM 908 CB GLU A 86 13.237 -0.265 1.320 1.00 0.00 C ATOM 909 CG GLU A 86 12.829 0.733 2.422 1.00 0.00 C ATOM 910 CD GLU A 86 13.896 1.834 2.601 1.00 0.00 C ATOM 911 OE1 GLU A 86 15.048 1.496 2.965 1.00 0.00 O ATOM 912 OE2 GLU A 86 13.575 3.026 2.366 1.00 0.00 O ATOM 0 H GLU A 86 10.276 -0.524 1.204 1.00 0.00 H new ATOM 0 HA GLU A 86 12.586 -1.824 0.014 1.00 0.00 H new ATOM 0 HB2 GLU A 86 14.113 -0.813 1.667 1.00 0.00 H new ATOM 0 HB3 GLU A 86 13.544 0.306 0.444 1.00 0.00 H new ATOM 0 HG2 GLU A 86 11.872 1.188 2.168 1.00 0.00 H new ATOM 0 HG3 GLU A 86 12.689 0.202 3.364 1.00 0.00 H new ATOM 919 N LYS A 87 12.863 -3.270 2.135 1.00 0.00 N ATOM 920 CA LYS A 87 12.742 -4.496 2.923 1.00 0.00 C ATOM 921 C LYS A 87 13.285 -4.313 4.352 1.00 0.00 C ATOM 922 O LYS A 87 14.363 -3.774 4.554 1.00 0.00 O ATOM 923 CB LYS A 87 13.496 -5.605 2.158 1.00 0.00 C ATOM 924 CG LYS A 87 12.854 -6.990 2.308 1.00 0.00 C ATOM 925 CD LYS A 87 13.551 -7.999 1.379 1.00 0.00 C ATOM 926 CE LYS A 87 12.630 -9.191 1.106 1.00 0.00 C ATOM 927 NZ LYS A 87 13.197 -10.106 0.076 1.00 0.00 N ATOM 0 H LYS A 87 13.788 -3.166 1.719 1.00 0.00 H new ATOM 0 HA LYS A 87 11.693 -4.767 3.044 1.00 0.00 H new ATOM 0 HB2 LYS A 87 13.537 -5.344 1.101 1.00 0.00 H new ATOM 0 HB3 LYS A 87 14.525 -5.648 2.516 1.00 0.00 H new ATOM 0 HG2 LYS A 87 12.929 -7.324 3.343 1.00 0.00 H new ATOM 0 HG3 LYS A 87 11.792 -6.935 2.067 1.00 0.00 H new ATOM 0 HD2 LYS A 87 13.819 -7.515 0.440 1.00 0.00 H new ATOM 0 HD3 LYS A 87 14.479 -8.344 1.836 1.00 0.00 H new ATOM 0 HE2 LYS A 87 12.466 -9.743 2.032 1.00 0.00 H new ATOM 0 HE3 LYS A 87 11.657 -8.829 0.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 12.544 -10.900 -0.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 13.330 -9.586 -0.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 14.114 -10.471 0.403 1.00 0.00 H new ATOM 941 N GLU A 88 12.548 -4.859 5.311 1.00 0.00 N ATOM 942 CA GLU A 88 12.821 -4.823 6.760 1.00 0.00 C ATOM 943 C GLU A 88 12.952 -6.256 7.298 1.00 0.00 C ATOM 944 O GLU A 88 11.993 -6.850 7.803 1.00 0.00 O ATOM 945 CB GLU A 88 11.704 -4.055 7.492 1.00 0.00 C ATOM 946 CG GLU A 88 11.826 -2.531 7.419 1.00 0.00 C ATOM 947 CD GLU A 88 12.705 -1.952 8.528 1.00 0.00 C ATOM 948 OE1 GLU A 88 12.245 -1.973 9.697 1.00 0.00 O ATOM 949 OE2 GLU A 88 13.822 -1.459 8.238 1.00 0.00 O ATOM 0 H GLU A 88 11.692 -5.371 5.096 1.00 0.00 H new ATOM 0 HA GLU A 88 13.761 -4.300 6.939 1.00 0.00 H new ATOM 0 HB2 GLU A 88 10.743 -4.350 7.072 1.00 0.00 H new ATOM 0 HB3 GLU A 88 11.700 -4.356 8.539 1.00 0.00 H new ATOM 0 HG2 GLU A 88 12.240 -2.250 6.450 1.00 0.00 H new ATOM 0 HG3 GLU A 88 10.832 -2.088 7.481 1.00 0.00 H new ATOM 956 N GLY A 89 14.134 -6.869 7.118 1.00 0.00 N ATOM 957 CA GLY A 89 14.544 -8.182 7.662 1.00 0.00 C ATOM 958 C GLY A 89 13.836 -9.430 7.087 1.00 0.00 C ATOM 959 O GLY A 89 14.444 -10.490 6.970 1.00 0.00 O ATOM 0 H GLY A 89 14.872 -6.441 6.559 1.00 0.00 H new ATOM 0 HA2 GLY A 89 15.616 -8.296 7.501 1.00 0.00 H new ATOM 0 HA3 GLY A 89 14.383 -8.168 8.740 1.00 0.00 H new ATOM 963 N ARG A 90 12.569 -9.285 6.695 1.00 0.00 N ATOM 964 CA ARG A 90 11.712 -10.249 5.970 1.00 0.00 C ATOM 965 C ARG A 90 10.541 -9.513 5.322 1.00 0.00 C ATOM 966 O ARG A 90 10.206 -9.759 4.164 1.00 0.00 O ATOM 967 CB ARG A 90 11.189 -11.330 6.947 1.00 0.00 C ATOM 968 CG ARG A 90 10.320 -12.373 6.222 1.00 0.00 C ATOM 969 CD ARG A 90 9.683 -13.414 7.150 1.00 0.00 C ATOM 970 NE ARG A 90 8.831 -14.327 6.356 1.00 0.00 N ATOM 971 CZ ARG A 90 7.630 -14.803 6.642 1.00 0.00 C ATOM 972 NH1 ARG A 90 7.057 -14.571 7.791 1.00 0.00 N ATOM 973 NH2 ARG A 90 6.972 -15.522 5.771 1.00 0.00 N ATOM 0 H ARG A 90 12.065 -8.420 6.889 1.00 0.00 H new ATOM 0 HA ARG A 90 12.299 -10.735 5.191 1.00 0.00 H new ATOM 0 HB2 ARG A 90 12.032 -11.827 7.426 1.00 0.00 H new ATOM 0 HB3 ARG A 90 10.607 -10.856 7.738 1.00 0.00 H new ATOM 0 HG2 ARG A 90 9.530 -11.856 5.678 1.00 0.00 H new ATOM 0 HG3 ARG A 90 10.932 -12.888 5.482 1.00 0.00 H new ATOM 0 HD2 ARG A 90 10.459 -13.980 7.666 1.00 0.00 H new ATOM 0 HD3 ARG A 90 9.087 -12.918 7.916 1.00 0.00 H new ATOM 0 HE ARG A 90 9.224 -14.631 5.465 1.00 0.00 H new ATOM 0 HH11 ARG A 90 7.536 -14.010 8.496 1.00 0.00 H new ATOM 0 HH12 ARG A 90 6.130 -14.951 7.985 1.00 0.00 H new ATOM 0 HH21 ARG A 90 7.384 -15.722 4.859 1.00 0.00 H new ATOM 0 HH22 ARG A 90 6.047 -15.884 6.003 1.00 0.00 H new ATOM 987 N LYS A 91 9.925 -8.599 6.087 1.00 0.00 N ATOM 988 CA LYS A 91 8.749 -7.816 5.738 1.00 0.00 C ATOM 989 C LYS A 91 9.135 -6.659 4.802 1.00 0.00 C ATOM 990 O LYS A 91 10.312 -6.402 4.559 1.00 0.00 O ATOM 991 CB LYS A 91 8.202 -7.323 7.094 1.00 0.00 C ATOM 992 CG LYS A 91 6.699 -7.056 7.155 1.00 0.00 C ATOM 993 CD LYS A 91 5.806 -8.313 7.032 1.00 0.00 C ATOM 994 CE LYS A 91 4.869 -8.512 8.239 1.00 0.00 C ATOM 995 NZ LYS A 91 5.520 -9.120 9.428 1.00 0.00 N ATOM 0 H LYS A 91 10.263 -8.380 7.024 1.00 0.00 H new ATOM 0 HA LYS A 91 7.996 -8.386 5.194 1.00 0.00 H new ATOM 0 HB2 LYS A 91 8.450 -8.064 7.854 1.00 0.00 H new ATOM 0 HB3 LYS A 91 8.725 -6.405 7.362 1.00 0.00 H new ATOM 0 HG2 LYS A 91 6.472 -6.558 8.098 1.00 0.00 H new ATOM 0 HG3 LYS A 91 6.436 -6.362 6.357 1.00 0.00 H new ATOM 0 HD2 LYS A 91 5.208 -8.238 6.124 1.00 0.00 H new ATOM 0 HD3 LYS A 91 6.441 -9.193 6.924 1.00 0.00 H new ATOM 0 HE2 LYS A 91 4.452 -7.546 8.523 1.00 0.00 H new ATOM 0 HE3 LYS A 91 4.034 -9.143 7.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 4.822 -9.219 10.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 5.894 -10.057 9.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 6.299 -8.510 9.747 1.00 0.00 H new ATOM 1009 N PHE A 92 8.146 -5.927 4.301 1.00 0.00 N ATOM 1010 CA PHE A 92 8.322 -4.768 3.418 1.00 0.00 C ATOM 1011 C PHE A 92 7.640 -3.534 4.016 1.00 0.00 C ATOM 1012 O PHE A 92 6.622 -3.647 4.699 1.00 0.00 O ATOM 1013 CB PHE A 92 7.735 -5.073 2.033 1.00 0.00 C ATOM 1014 CG PHE A 92 8.774 -5.407 1.007 1.00 0.00 C ATOM 1015 CD1 PHE A 92 9.465 -4.369 0.368 1.00 0.00 C ATOM 1016 CD2 PHE A 92 9.039 -6.747 0.698 1.00 0.00 C ATOM 1017 CE1 PHE A 92 10.476 -4.679 -0.554 1.00 0.00 C ATOM 1018 CE2 PHE A 92 10.018 -7.057 -0.263 1.00 0.00 C ATOM 1019 CZ PHE A 92 10.747 -6.022 -0.879 1.00 0.00 C ATOM 0 H PHE A 92 7.166 -6.126 4.502 1.00 0.00 H new ATOM 0 HA PHE A 92 9.388 -4.563 3.317 1.00 0.00 H new ATOM 0 HB2 PHE A 92 7.038 -5.906 2.118 1.00 0.00 H new ATOM 0 HB3 PHE A 92 7.162 -4.211 1.692 1.00 0.00 H new ATOM 0 HD1 PHE A 92 9.221 -3.339 0.583 1.00 0.00 H new ATOM 0 HD2 PHE A 92 8.495 -7.537 1.194 1.00 0.00 H new ATOM 0 HE1 PHE A 92 11.047 -3.887 -1.015 1.00 0.00 H new ATOM 0 HE2 PHE A 92 10.210 -8.086 -0.528 1.00 0.00 H new ATOM 0 HZ PHE A 92 11.514 -6.258 -1.601 1.00 0.00 H new ATOM 1029 N VAL A 93 8.161 -2.365 3.671 1.00 0.00 N ATOM 1030 CA VAL A 93 7.621 -1.054 4.048 1.00 0.00 C ATOM 1031 C VAL A 93 7.661 -0.122 2.854 1.00 0.00 C ATOM 1032 O VAL A 93 8.504 -0.236 1.964 1.00 0.00 O ATOM 1033 CB VAL A 93 8.297 -0.490 5.323 1.00 0.00 C ATOM 1034 CG1 VAL A 93 9.808 -0.702 5.334 1.00 0.00 C ATOM 1035 CG2 VAL A 93 7.955 0.985 5.610 1.00 0.00 C ATOM 0 H VAL A 93 9.003 -2.294 3.100 1.00 0.00 H new ATOM 0 HA VAL A 93 6.573 -1.162 4.328 1.00 0.00 H new ATOM 0 HB VAL A 93 7.868 -1.076 6.136 1.00 0.00 H new ATOM 0 HG11 VAL A 93 10.227 -0.287 6.251 1.00 0.00 H new ATOM 0 HG12 VAL A 93 10.026 -1.769 5.286 1.00 0.00 H new ATOM 0 HG13 VAL A 93 10.252 -0.202 4.473 1.00 0.00 H new ATOM 0 HG21 VAL A 93 8.465 1.307 6.518 1.00 0.00 H new ATOM 0 HG22 VAL A 93 8.279 1.603 4.773 1.00 0.00 H new ATOM 0 HG23 VAL A 93 6.878 1.090 5.743 1.00 0.00 H new ATOM 1045 N TYR A 94 6.667 0.760 2.813 1.00 0.00 N ATOM 1046 CA TYR A 94 6.279 1.650 1.735 1.00 0.00 C ATOM 1047 C TYR A 94 6.285 3.095 2.282 1.00 0.00 C ATOM 1048 O TYR A 94 5.507 3.409 3.184 1.00 0.00 O ATOM 1049 CB TYR A 94 4.884 1.204 1.241 1.00 0.00 C ATOM 1050 CG TYR A 94 4.825 -0.173 0.577 1.00 0.00 C ATOM 1051 CD1 TYR A 94 4.882 -1.374 1.330 1.00 0.00 C ATOM 1052 CD2 TYR A 94 4.707 -0.248 -0.828 1.00 0.00 C ATOM 1053 CE1 TYR A 94 4.878 -2.618 0.676 1.00 0.00 C ATOM 1054 CE2 TYR A 94 4.708 -1.497 -1.482 1.00 0.00 C ATOM 1055 CZ TYR A 94 4.818 -2.685 -0.728 1.00 0.00 C ATOM 1056 OH TYR A 94 4.858 -3.894 -1.341 1.00 0.00 O ATOM 0 H TYR A 94 6.053 0.877 3.619 1.00 0.00 H new ATOM 0 HA TYR A 94 6.966 1.614 0.889 1.00 0.00 H new ATOM 0 HB2 TYR A 94 4.200 1.208 2.090 1.00 0.00 H new ATOM 0 HB3 TYR A 94 4.516 1.945 0.532 1.00 0.00 H new ATOM 0 HD1 TYR A 94 4.929 -1.332 2.408 1.00 0.00 H new ATOM 0 HD2 TYR A 94 4.615 0.659 -1.407 1.00 0.00 H new ATOM 0 HE1 TYR A 94 4.921 -3.529 1.255 1.00 0.00 H new ATOM 0 HE2 TYR A 94 4.625 -1.545 -2.558 1.00 0.00 H new ATOM 0 HH TYR A 94 4.806 -3.770 -2.312 1.00 0.00 H new ATOM 1066 N ARG A 95 7.224 3.912 1.779 1.00 0.00 N ATOM 1067 CA ARG A 95 7.536 5.296 2.239 1.00 0.00 C ATOM 1068 C ARG A 95 7.922 6.282 1.110 1.00 0.00 C ATOM 1069 O ARG A 95 8.371 5.828 0.054 1.00 0.00 O ATOM 1070 CB ARG A 95 8.649 5.208 3.304 1.00 0.00 C ATOM 1071 CG ARG A 95 10.050 4.787 2.830 1.00 0.00 C ATOM 1072 CD ARG A 95 10.979 4.564 4.039 1.00 0.00 C ATOM 1073 NE ARG A 95 11.599 5.812 4.544 1.00 0.00 N ATOM 1074 CZ ARG A 95 12.856 6.193 4.361 1.00 0.00 C ATOM 1075 NH1 ARG A 95 13.705 5.531 3.622 1.00 0.00 N ATOM 1076 NH2 ARG A 95 13.305 7.261 4.959 1.00 0.00 N ATOM 0 H ARG A 95 7.820 3.622 1.004 1.00 0.00 H new ATOM 0 HA ARG A 95 6.620 5.714 2.657 1.00 0.00 H new ATOM 0 HB2 ARG A 95 8.734 6.183 3.783 1.00 0.00 H new ATOM 0 HB3 ARG A 95 8.327 4.503 4.071 1.00 0.00 H new ATOM 0 HG2 ARG A 95 9.982 3.872 2.241 1.00 0.00 H new ATOM 0 HG3 ARG A 95 10.467 5.555 2.179 1.00 0.00 H new ATOM 0 HD2 ARG A 95 10.410 4.098 4.844 1.00 0.00 H new ATOM 0 HD3 ARG A 95 11.766 3.864 3.759 1.00 0.00 H new ATOM 0 HE ARG A 95 11.002 6.438 5.084 1.00 0.00 H new ATOM 0 HH11 ARG A 95 13.412 4.675 3.151 1.00 0.00 H new ATOM 0 HH12 ARG A 95 14.661 5.870 3.516 1.00 0.00 H new ATOM 0 HH21 ARG A 95 12.690 7.802 5.567 1.00 0.00 H new ATOM 0 HH22 ARG A 95 14.272 7.555 4.819 1.00 0.00 H new ATOM 1090 N PRO A 96 7.762 7.614 1.269 1.00 0.00 N ATOM 1091 CA PRO A 96 8.167 8.611 0.272 1.00 0.00 C ATOM 1092 C PRO A 96 9.697 8.726 0.122 1.00 0.00 C ATOM 1093 O PRO A 96 10.454 8.101 0.860 1.00 0.00 O ATOM 1094 CB PRO A 96 7.539 9.931 0.745 1.00 0.00 C ATOM 1095 CG PRO A 96 7.496 9.769 2.260 1.00 0.00 C ATOM 1096 CD PRO A 96 7.175 8.286 2.419 1.00 0.00 C ATOM 0 HA PRO A 96 7.823 8.327 -0.723 1.00 0.00 H new ATOM 0 HB2 PRO A 96 8.138 10.792 0.448 1.00 0.00 H new ATOM 0 HB3 PRO A 96 6.543 10.077 0.327 1.00 0.00 H new ATOM 0 HG2 PRO A 96 8.447 10.031 2.724 1.00 0.00 H new ATOM 0 HG3 PRO A 96 6.734 10.401 2.715 1.00 0.00 H new ATOM 0 HD2 PRO A 96 7.588 7.897 3.349 1.00 0.00 H new ATOM 0 HD3 PRO A 96 6.098 8.123 2.456 1.00 0.00 H new