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 -22:sc= 1.25 USER MOD Single : A 58 GLN : amide:sc= -0.0685 X(o=-0.068,f=0) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) 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+ -166:sc= -0.628 (180deg=-0.809) 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 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 42:sc= 1.33 USER MOD Single : A 87 LYS NZ :NH3+ 151:sc= 1.23 (180deg=1.02) 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 -7.034 6.296 -5.215 1.00 0.00 N ATOM 102 CA LEU A 38 -7.740 7.185 -4.290 1.00 0.00 C ATOM 103 C LEU A 38 -7.461 6.818 -2.814 1.00 0.00 C ATOM 104 O LEU A 38 -6.768 7.556 -2.119 1.00 0.00 O ATOM 105 CB LEU A 38 -9.245 7.143 -4.664 1.00 0.00 C ATOM 106 CG LEU A 38 -9.994 8.477 -4.515 1.00 0.00 C ATOM 107 CD1 LEU A 38 -11.456 8.282 -4.934 1.00 0.00 C ATOM 108 CD2 LEU A 38 -9.953 9.029 -3.089 1.00 0.00 C ATOM 0 HA LEU A 38 -7.379 8.209 -4.386 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -9.337 6.806 -5.697 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.737 6.397 -4.040 1.00 0.00 H new ATOM 0 HG LEU A 38 -9.492 9.201 -5.157 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -11.993 9.225 -4.831 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -11.496 7.954 -5.973 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -11.920 7.529 -4.297 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -10.499 9.972 -3.048 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -10.414 8.313 -2.408 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.917 9.196 -2.793 1.00 0.00 H new ATOM 120 N ILE A 39 -7.938 5.662 -2.334 1.00 0.00 N ATOM 121 CA ILE A 39 -7.843 5.265 -0.906 1.00 0.00 C ATOM 122 C ILE A 39 -6.380 5.132 -0.450 1.00 0.00 C ATOM 123 O ILE A 39 -5.963 5.762 0.525 1.00 0.00 O ATOM 124 CB ILE A 39 -8.660 3.980 -0.626 1.00 0.00 C ATOM 125 CG1 ILE A 39 -10.148 4.292 -0.911 1.00 0.00 C ATOM 126 CG2 ILE A 39 -8.455 3.477 0.821 1.00 0.00 C ATOM 127 CD1 ILE A 39 -11.115 3.154 -0.590 1.00 0.00 C ATOM 0 H ILE A 39 -8.403 4.968 -2.919 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.285 6.064 -0.310 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.316 3.176 -1.276 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -10.438 5.170 -0.333 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -10.254 4.554 -1.964 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -9.044 2.574 0.979 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -7.400 3.255 0.983 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -8.776 4.247 1.523 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -12.133 3.466 -0.822 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -10.858 2.279 -1.187 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -11.044 2.904 0.469 1.00 0.00 H new ATOM 139 N VAL A 40 -5.577 4.340 -1.171 1.00 0.00 N ATOM 140 CA VAL A 40 -4.148 4.162 -0.862 1.00 0.00 C ATOM 141 C VAL A 40 -3.360 5.471 -0.941 1.00 0.00 C ATOM 142 O VAL A 40 -2.380 5.630 -0.218 1.00 0.00 O ATOM 143 CB VAL A 40 -3.497 3.091 -1.760 1.00 0.00 C ATOM 144 CG1 VAL A 40 -4.056 1.692 -1.464 1.00 0.00 C ATOM 145 CG2 VAL A 40 -3.681 3.372 -3.256 1.00 0.00 C ATOM 0 H VAL A 40 -5.894 3.807 -1.980 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.108 3.817 0.171 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.433 3.130 -1.525 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.575 0.963 -2.115 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.860 1.434 -0.423 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -5.131 1.684 -1.643 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.201 2.584 -3.836 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.745 3.401 -3.493 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.228 4.332 -3.504 1.00 0.00 H new ATOM 155 N MET A 41 -3.812 6.424 -1.768 1.00 0.00 N ATOM 156 CA MET A 41 -3.218 7.756 -1.921 1.00 0.00 C ATOM 157 C MET A 41 -3.462 8.671 -0.703 1.00 0.00 C ATOM 158 O MET A 41 -2.820 9.711 -0.610 1.00 0.00 O ATOM 159 CB MET A 41 -3.765 8.396 -3.215 1.00 0.00 C ATOM 160 CG MET A 41 -2.916 9.553 -3.752 1.00 0.00 C ATOM 161 SD MET A 41 -3.615 10.293 -5.252 1.00 0.00 S ATOM 162 CE MET A 41 -2.356 11.545 -5.605 1.00 0.00 C ATOM 0 H MET A 41 -4.626 6.283 -2.366 1.00 0.00 H new ATOM 0 HA MET A 41 -2.136 7.639 -1.987 1.00 0.00 H new ATOM 0 HB2 MET A 41 -3.839 7.627 -3.984 1.00 0.00 H new ATOM 0 HB3 MET A 41 -4.776 8.758 -3.028 1.00 0.00 H new ATOM 0 HG2 MET A 41 -2.824 10.319 -2.982 1.00 0.00 H new ATOM 0 HG3 MET A 41 -1.910 9.192 -3.964 1.00 0.00 H new ATOM 0 HE1 MET A 41 -2.633 12.096 -6.504 1.00 0.00 H new ATOM 0 HE2 MET A 41 -2.283 12.235 -4.764 1.00 0.00 H new ATOM 0 HE3 MET A 41 -1.393 11.059 -5.760 1.00 0.00 H new ATOM 172 N ARG A 42 -4.348 8.298 0.238 1.00 0.00 N ATOM 173 CA ARG A 42 -4.701 9.141 1.401 1.00 0.00 C ATOM 174 C ARG A 42 -4.581 8.456 2.758 1.00 0.00 C ATOM 175 O ARG A 42 -4.212 9.148 3.703 1.00 0.00 O ATOM 176 CB ARG A 42 -6.076 9.802 1.197 1.00 0.00 C ATOM 177 CG ARG A 42 -6.013 10.746 -0.013 1.00 0.00 C ATOM 178 CD ARG A 42 -7.207 11.692 -0.135 1.00 0.00 C ATOM 179 NE ARG A 42 -7.039 12.509 -1.351 1.00 0.00 N ATOM 180 CZ ARG A 42 -7.296 13.791 -1.517 1.00 0.00 C ATOM 181 NH1 ARG A 42 -7.889 14.530 -0.623 1.00 0.00 N ATOM 182 NH2 ARG A 42 -6.985 14.337 -2.651 1.00 0.00 N ATOM 0 H ARG A 42 -4.841 7.405 0.216 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.940 9.920 1.439 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -6.839 9.039 1.038 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -6.361 10.357 2.091 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.100 11.338 0.050 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.943 10.149 -0.922 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -8.136 11.124 -0.187 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -7.273 12.332 0.745 1.00 0.00 H new ATOM 0 HE ARG A 42 -6.677 12.019 -2.169 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -8.182 14.121 0.264 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -8.060 15.518 -0.810 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -6.553 13.776 -3.386 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -7.172 15.327 -2.809 1.00 0.00 H new ATOM 196 N VAL A 43 -4.758 7.129 2.860 1.00 0.00 N ATOM 197 CA VAL A 43 -4.434 6.452 4.134 1.00 0.00 C ATOM 198 C VAL A 43 -2.932 6.498 4.430 1.00 0.00 C ATOM 199 O VAL A 43 -2.539 6.832 5.543 1.00 0.00 O ATOM 200 CB VAL A 43 -5.016 5.031 4.309 1.00 0.00 C ATOM 201 CG1 VAL A 43 -6.504 4.978 3.950 1.00 0.00 C ATOM 202 CG2 VAL A 43 -4.274 3.881 3.605 1.00 0.00 C ATOM 0 H VAL A 43 -5.107 6.524 2.117 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.957 7.039 4.889 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.867 4.849 5.373 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.875 3.962 4.086 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.059 5.657 4.597 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -6.638 5.277 2.910 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.785 2.940 3.808 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -4.260 4.061 2.530 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.251 3.826 3.977 1.00 0.00 H new ATOM 212 N ILE A 44 -2.060 6.268 3.436 1.00 0.00 N ATOM 213 CA ILE A 44 -0.617 6.205 3.692 1.00 0.00 C ATOM 214 C ILE A 44 -0.019 7.599 3.932 1.00 0.00 C ATOM 215 O ILE A 44 0.880 7.751 4.755 1.00 0.00 O ATOM 216 CB ILE A 44 0.097 5.479 2.537 1.00 0.00 C ATOM 217 CG1 ILE A 44 -0.539 4.089 2.315 1.00 0.00 C ATOM 218 CG2 ILE A 44 1.590 5.351 2.884 1.00 0.00 C ATOM 219 CD1 ILE A 44 -0.085 3.417 1.021 1.00 0.00 C ATOM 0 H ILE A 44 -2.326 6.125 2.462 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.461 5.634 4.607 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.009 6.047 1.613 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -0.290 3.444 3.158 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -1.624 4.191 2.302 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.109 4.838 2.074 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.019 6.344 3.018 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.702 4.780 3.806 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -0.569 2.445 0.927 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.358 4.042 0.171 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.997 3.284 1.040 1.00 0.00 H new ATOM 231 N TRP A 45 -0.559 8.613 3.257 1.00 0.00 N ATOM 232 CA TRP A 45 -0.143 10.014 3.411 1.00 0.00 C ATOM 233 C TRP A 45 -0.237 10.508 4.866 1.00 0.00 C ATOM 234 O TRP A 45 0.536 11.368 5.276 1.00 0.00 O ATOM 235 CB TRP A 45 -1.006 10.884 2.480 1.00 0.00 C ATOM 236 CG TRP A 45 -0.835 12.360 2.667 1.00 0.00 C ATOM 237 CD1 TRP A 45 -1.560 13.112 3.524 1.00 0.00 C ATOM 238 CD2 TRP A 45 0.173 13.258 2.104 1.00 0.00 C ATOM 239 NE1 TRP A 45 -1.064 14.397 3.553 1.00 0.00 N ATOM 240 CE2 TRP A 45 0.018 14.543 2.709 1.00 0.00 C ATOM 241 CE3 TRP A 45 1.229 13.112 1.176 1.00 0.00 C ATOM 242 CZ2 TRP A 45 0.880 15.613 2.426 1.00 0.00 C ATOM 243 CZ3 TRP A 45 2.099 14.182 0.888 1.00 0.00 C ATOM 244 CH2 TRP A 45 1.932 15.429 1.514 1.00 0.00 C ATOM 0 H TRP A 45 -1.309 8.487 2.577 1.00 0.00 H new ATOM 0 HA TRP A 45 0.909 10.092 3.137 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -0.768 10.632 1.446 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -2.054 10.631 2.637 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -2.402 12.759 4.100 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -1.449 15.147 4.127 1.00 0.00 H new ATOM 0 HE3 TRP A 45 1.371 12.164 0.679 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 0.736 16.570 2.905 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 2.902 14.043 0.179 1.00 0.00 H new ATOM 0 HH2 TRP A 45 2.609 16.241 1.295 1.00 0.00 H new ATOM 255 N SER A 46 -1.174 9.960 5.647 1.00 0.00 N ATOM 256 CA SER A 46 -1.490 10.457 6.999 1.00 0.00 C ATOM 257 C SER A 46 -0.443 9.999 8.021 1.00 0.00 C ATOM 258 O SER A 46 0.035 10.761 8.860 1.00 0.00 O ATOM 259 CB SER A 46 -2.903 9.983 7.359 1.00 0.00 C ATOM 260 OG SER A 46 -3.333 10.450 8.623 1.00 0.00 O ATOM 0 H SER A 46 -1.738 9.159 5.363 1.00 0.00 H new ATOM 0 HA SER A 46 -1.462 11.546 7.017 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.601 10.323 6.594 1.00 0.00 H new ATOM 0 HB3 SER A 46 -2.929 8.893 7.352 1.00 0.00 H new ATOM 0 HG SER A 46 -4.239 10.121 8.803 1.00 0.00 H new ATOM 266 N LEU A 47 -0.071 8.727 7.898 1.00 0.00 N ATOM 267 CA LEU A 47 0.958 8.009 8.617 1.00 0.00 C ATOM 268 C LEU A 47 2.377 8.471 8.243 1.00 0.00 C ATOM 269 O LEU A 47 3.216 8.752 9.100 1.00 0.00 O ATOM 270 CB LEU A 47 0.711 6.533 8.215 1.00 0.00 C ATOM 271 CG LEU A 47 0.277 5.704 9.421 1.00 0.00 C ATOM 272 CD1 LEU A 47 -0.420 4.428 8.967 1.00 0.00 C ATOM 273 CD2 LEU A 47 1.551 5.404 10.197 1.00 0.00 C ATOM 0 H LEU A 47 -0.535 8.120 7.222 1.00 0.00 H new ATOM 0 HA LEU A 47 0.903 8.177 9.693 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.056 6.486 7.442 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.621 6.111 7.788 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.441 6.236 10.046 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.723 3.849 9.839 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.301 4.684 8.378 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.264 3.837 8.358 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.309 4.810 11.078 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.241 4.848 9.562 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.017 6.339 10.507 1.00 0.00 H new ATOM 285 N GLY A 48 2.619 8.492 6.937 1.00 0.00 N ATOM 286 CA GLY A 48 3.847 8.877 6.232 1.00 0.00 C ATOM 287 C GLY A 48 4.526 7.663 5.586 1.00 0.00 C ATOM 288 O GLY A 48 5.007 7.719 4.455 1.00 0.00 O ATOM 0 H GLY A 48 1.893 8.214 6.277 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.612 9.615 5.465 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.536 9.352 6.931 1.00 0.00 H new ATOM 292 N GLU A 49 4.510 6.536 6.296 1.00 0.00 N ATOM 293 CA GLU A 49 5.088 5.256 5.947 1.00 0.00 C ATOM 294 C GLU A 49 4.140 4.157 6.445 1.00 0.00 C ATOM 295 O GLU A 49 3.561 4.290 7.520 1.00 0.00 O ATOM 296 CB GLU A 49 6.442 5.155 6.672 1.00 0.00 C ATOM 297 CG GLU A 49 7.164 3.855 6.369 1.00 0.00 C ATOM 298 CD GLU A 49 7.434 3.002 7.628 1.00 0.00 C ATOM 299 OE1 GLU A 49 8.254 3.467 8.452 1.00 0.00 O ATOM 300 OE2 GLU A 49 6.865 1.879 7.733 1.00 0.00 O ATOM 0 H GLU A 49 4.051 6.501 7.206 1.00 0.00 H new ATOM 0 HA GLU A 49 5.231 5.150 4.872 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.072 5.995 6.378 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.283 5.237 7.747 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.571 3.273 5.664 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.112 4.079 5.879 1.00 0.00 H new ATOM 307 N ALA A 50 4.003 3.069 5.693 1.00 0.00 N ATOM 308 CA ALA A 50 3.235 1.910 6.137 1.00 0.00 C ATOM 309 C ALA A 50 3.854 0.589 5.654 1.00 0.00 C ATOM 310 O ALA A 50 4.430 0.492 4.568 1.00 0.00 O ATOM 311 CB ALA A 50 1.798 2.109 5.652 1.00 0.00 C ATOM 0 H ALA A 50 4.417 2.966 4.767 1.00 0.00 H new ATOM 0 HA ALA A 50 3.247 1.835 7.224 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.188 1.261 5.964 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.393 3.025 6.081 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.788 2.182 4.565 1.00 0.00 H new ATOM 317 N ARG A 51 3.704 -0.476 6.451 1.00 0.00 N ATOM 318 CA ARG A 51 4.119 -1.842 6.089 1.00 0.00 C ATOM 319 C ARG A 51 3.045 -2.449 5.181 1.00 0.00 C ATOM 320 O ARG A 51 1.899 -2.019 5.252 1.00 0.00 O ATOM 321 CB ARG A 51 4.334 -2.721 7.341 1.00 0.00 C ATOM 322 CG ARG A 51 5.311 -2.182 8.410 1.00 0.00 C ATOM 323 CD ARG A 51 4.767 -1.030 9.278 1.00 0.00 C ATOM 324 NE ARG A 51 5.557 -0.838 10.510 1.00 0.00 N ATOM 325 CZ ARG A 51 5.517 -1.580 11.608 1.00 0.00 C ATOM 326 NH1 ARG A 51 4.585 -2.461 11.842 1.00 0.00 N ATOM 327 NH2 ARG A 51 6.393 -1.419 12.545 1.00 0.00 N ATOM 0 H ARG A 51 3.285 -0.415 7.379 1.00 0.00 H new ATOM 0 HA ARG A 51 5.074 -1.799 5.565 1.00 0.00 H new ATOM 0 HB2 ARG A 51 3.365 -2.880 7.815 1.00 0.00 H new ATOM 0 HB3 ARG A 51 4.693 -3.697 7.014 1.00 0.00 H new ATOM 0 HG2 ARG A 51 5.597 -3.005 9.065 1.00 0.00 H new ATOM 0 HG3 ARG A 51 6.218 -1.842 7.911 1.00 0.00 H new ATOM 0 HD2 ARG A 51 4.772 -0.107 8.698 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.730 -1.235 9.542 1.00 0.00 H new ATOM 0 HE ARG A 51 6.204 -0.049 10.517 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.838 -2.606 11.163 1.00 0.00 H new ATOM 0 HH12 ARG A 51 4.603 -3.005 12.704 1.00 0.00 H new ATOM 0 HH21 ARG A 51 7.125 -0.715 12.444 1.00 0.00 H new ATOM 0 HH22 ARG A 51 6.353 -1.996 13.385 1.00 0.00 H new ATOM 341 N VAL A 52 3.349 -3.478 4.389 1.00 0.00 N ATOM 342 CA VAL A 52 2.342 -4.154 3.533 1.00 0.00 C ATOM 343 C VAL A 52 1.080 -4.589 4.269 1.00 0.00 C ATOM 344 O VAL A 52 -0.040 -4.542 3.761 1.00 0.00 O ATOM 345 CB VAL A 52 2.929 -5.328 2.717 1.00 0.00 C ATOM 346 CG1 VAL A 52 4.363 -5.650 3.132 1.00 0.00 C ATOM 347 CG2 VAL A 52 2.082 -6.598 2.752 1.00 0.00 C ATOM 0 H VAL A 52 4.287 -3.872 4.314 1.00 0.00 H new ATOM 0 HA VAL A 52 2.038 -3.376 2.832 1.00 0.00 H new ATOM 0 HB VAL A 52 2.923 -4.973 1.686 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.737 -6.481 2.534 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.993 -4.775 2.972 1.00 0.00 H new ATOM 0 HG13 VAL A 52 4.384 -5.924 4.187 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.563 -7.373 2.155 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.984 -6.942 3.782 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.093 -6.387 2.344 1.00 0.00 H new ATOM 357 N ASP A 53 1.278 -5.162 5.442 1.00 0.00 N ATOM 358 CA ASP A 53 0.220 -5.694 6.260 1.00 0.00 C ATOM 359 C ASP A 53 -0.532 -4.566 6.990 1.00 0.00 C ATOM 360 O ASP A 53 -1.671 -4.749 7.393 1.00 0.00 O ATOM 361 CB ASP A 53 0.781 -6.856 7.087 1.00 0.00 C ATOM 362 CG ASP A 53 1.904 -7.654 6.396 1.00 0.00 C ATOM 363 OD1 ASP A 53 3.016 -7.098 6.248 1.00 0.00 O ATOM 364 OD2 ASP A 53 1.659 -8.802 5.957 1.00 0.00 O ATOM 0 H ASP A 53 2.204 -5.270 5.856 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.583 -6.145 5.677 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.160 -6.463 8.030 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -0.034 -7.538 7.330 1.00 0.00 H new ATOM 369 N GLU A 54 0.099 -3.398 7.122 1.00 0.00 N ATOM 370 CA GLU A 54 -0.516 -2.158 7.653 1.00 0.00 C ATOM 371 C GLU A 54 -1.398 -1.463 6.612 1.00 0.00 C ATOM 372 O GLU A 54 -2.568 -1.181 6.851 1.00 0.00 O ATOM 373 CB GLU A 54 0.596 -1.199 8.113 1.00 0.00 C ATOM 374 CG GLU A 54 0.404 -0.633 9.536 1.00 0.00 C ATOM 375 CD GLU A 54 -0.925 0.106 9.778 1.00 0.00 C ATOM 376 OE1 GLU A 54 -1.318 0.896 8.893 1.00 0.00 O ATOM 377 OE2 GLU A 54 -1.528 -0.119 10.861 1.00 0.00 O ATOM 0 H GLU A 54 1.077 -3.274 6.859 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.154 -2.432 8.493 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.551 -1.723 8.070 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.656 -0.368 7.410 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.479 -1.454 10.249 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.225 0.051 9.751 1.00 0.00 H new ATOM 384 N ILE A 55 -0.883 -1.249 5.392 1.00 0.00 N ATOM 385 CA ILE A 55 -1.679 -0.687 4.288 1.00 0.00 C ATOM 386 C ILE A 55 -2.936 -1.525 4.046 1.00 0.00 C ATOM 387 O ILE A 55 -4.010 -0.958 3.880 1.00 0.00 O ATOM 388 CB ILE A 55 -0.879 -0.538 2.981 1.00 0.00 C ATOM 389 CG1 ILE A 55 -0.299 -1.892 2.601 1.00 0.00 C ATOM 390 CG2 ILE A 55 0.254 0.465 3.154 1.00 0.00 C ATOM 391 CD1 ILE A 55 0.714 -1.906 1.493 1.00 0.00 C ATOM 0 H ILE A 55 0.084 -1.457 5.144 1.00 0.00 H new ATOM 0 HA ILE A 55 -1.967 0.317 4.598 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.545 -0.177 2.197 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.162 -2.326 3.489 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.123 -2.547 2.317 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.806 0.555 2.219 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.158 1.436 3.427 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.926 0.122 3.941 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.049 -2.929 1.319 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.263 -1.512 0.582 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.567 -1.287 1.772 1.00 0.00 H new ATOM 403 N TYR A 56 -2.845 -2.859 4.061 1.00 0.00 N ATOM 404 CA TYR A 56 -4.019 -3.714 3.995 1.00 0.00 C ATOM 405 C TYR A 56 -4.946 -3.593 5.197 1.00 0.00 C ATOM 406 O TYR A 56 -6.158 -3.689 5.059 1.00 0.00 O ATOM 407 CB TYR A 56 -3.546 -5.147 3.890 1.00 0.00 C ATOM 408 CG TYR A 56 -4.679 -6.026 3.440 1.00 0.00 C ATOM 409 CD1 TYR A 56 -4.887 -6.209 2.066 1.00 0.00 C ATOM 410 CD2 TYR A 56 -5.535 -6.612 4.385 1.00 0.00 C ATOM 411 CE1 TYR A 56 -5.956 -7.006 1.627 1.00 0.00 C ATOM 412 CE2 TYR A 56 -6.622 -7.387 3.946 1.00 0.00 C ATOM 413 CZ TYR A 56 -6.848 -7.580 2.568 1.00 0.00 C ATOM 414 OH TYR A 56 -7.909 -8.339 2.186 1.00 0.00 O ATOM 0 H TYR A 56 -1.962 -3.366 4.119 1.00 0.00 H new ATOM 0 HA TYR A 56 -4.598 -3.397 3.128 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -2.718 -5.215 3.184 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -3.171 -5.487 4.855 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -4.229 -5.740 1.350 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -5.360 -6.469 5.441 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -6.099 -7.182 0.571 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -7.287 -7.837 4.668 1.00 0.00 H new ATOM 0 HH TYR A 56 -8.142 -8.132 1.257 1.00 0.00 H new ATOM 424 N ALA A 57 -4.394 -3.337 6.378 1.00 0.00 N ATOM 425 CA ALA A 57 -5.194 -3.114 7.574 1.00 0.00 C ATOM 426 C ALA A 57 -6.163 -1.923 7.424 1.00 0.00 C ATOM 427 O ALA A 57 -7.201 -1.908 8.091 1.00 0.00 O ATOM 428 CB ALA A 57 -4.273 -2.936 8.779 1.00 0.00 C ATOM 0 H ALA A 57 -3.387 -3.279 6.532 1.00 0.00 H new ATOM 0 HA ALA A 57 -5.820 -3.992 7.729 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -4.873 -2.769 9.674 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.668 -3.833 8.910 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.620 -2.079 8.615 1.00 0.00 H new ATOM 434 N GLN A 58 -5.881 -0.974 6.518 1.00 0.00 N ATOM 435 CA GLN A 58 -6.769 0.144 6.251 1.00 0.00 C ATOM 436 C GLN A 58 -7.835 -0.160 5.169 1.00 0.00 C ATOM 437 O GLN A 58 -8.663 0.685 4.833 1.00 0.00 O ATOM 438 CB GLN A 58 -5.855 1.317 5.895 1.00 0.00 C ATOM 439 CG GLN A 58 -5.731 2.337 7.025 1.00 0.00 C ATOM 440 CD GLN A 58 -5.105 1.891 8.346 1.00 0.00 C ATOM 441 OE1 GLN A 58 -5.484 2.382 9.408 1.00 0.00 O ATOM 442 NE2 GLN A 58 -4.105 1.034 8.323 1.00 0.00 N ATOM 0 H GLN A 58 -5.030 -0.969 5.956 1.00 0.00 H new ATOM 0 HA GLN A 58 -7.378 0.376 7.125 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -4.865 0.937 5.645 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -6.240 1.814 5.004 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -5.148 3.178 6.650 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -6.730 2.714 7.243 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -3.798 0.632 7.437 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -3.638 0.772 9.191 1.00 0.00 H new ATOM 451 N ILE A 59 -7.811 -1.374 4.598 1.00 0.00 N ATOM 452 CA ILE A 59 -8.653 -1.903 3.515 1.00 0.00 C ATOM 453 C ILE A 59 -9.598 -3.014 4.055 1.00 0.00 C ATOM 454 O ILE A 59 -9.230 -4.190 4.065 1.00 0.00 O ATOM 455 CB ILE A 59 -7.732 -2.417 2.388 1.00 0.00 C ATOM 456 CG1 ILE A 59 -6.797 -1.275 1.933 1.00 0.00 C ATOM 457 CG2 ILE A 59 -8.557 -2.962 1.213 1.00 0.00 C ATOM 458 CD1 ILE A 59 -5.801 -1.727 0.881 1.00 0.00 C ATOM 0 H ILE A 59 -7.139 -2.075 4.912 1.00 0.00 H new ATOM 0 HA ILE A 59 -9.294 -1.119 3.112 1.00 0.00 H new ATOM 0 HB ILE A 59 -7.126 -3.240 2.766 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -7.396 -0.456 1.534 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.258 -0.885 2.796 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -7.886 -3.318 0.431 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -9.182 -3.786 1.558 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -9.190 -2.169 0.814 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -5.168 -0.887 0.595 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.182 -2.527 1.286 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -6.337 -2.092 0.005 1.00 0.00 H new ATOM 470 N PRO A 60 -10.812 -2.662 4.520 1.00 0.00 N ATOM 471 CA PRO A 60 -11.755 -3.608 5.110 1.00 0.00 C ATOM 472 C PRO A 60 -12.456 -4.491 4.061 1.00 0.00 C ATOM 473 O PRO A 60 -12.491 -4.161 2.877 1.00 0.00 O ATOM 474 CB PRO A 60 -12.729 -2.763 5.943 1.00 0.00 C ATOM 475 CG PRO A 60 -12.750 -1.441 5.169 1.00 0.00 C ATOM 476 CD PRO A 60 -11.313 -1.308 4.663 1.00 0.00 C ATOM 0 HA PRO A 60 -11.240 -4.333 5.740 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -13.718 -3.218 5.999 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -12.380 -2.630 6.967 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -13.465 -1.467 4.347 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -13.030 -0.604 5.809 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -11.282 -0.778 3.711 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -10.703 -0.739 5.365 1.00 0.00 H new ATOM 484 N GLN A 61 -13.133 -5.559 4.518 1.00 0.00 N ATOM 485 CA GLN A 61 -14.015 -6.453 3.727 1.00 0.00 C ATOM 486 C GLN A 61 -15.088 -5.790 2.823 1.00 0.00 C ATOM 487 O GLN A 61 -15.415 -6.346 1.776 1.00 0.00 O ATOM 488 CB GLN A 61 -14.660 -7.468 4.680 1.00 0.00 C ATOM 489 CG GLN A 61 -15.483 -8.549 3.951 1.00 0.00 C ATOM 490 CD GLN A 61 -15.439 -9.881 4.689 1.00 0.00 C ATOM 491 OE1 GLN A 61 -16.088 -10.120 5.704 1.00 0.00 O ATOM 492 NE2 GLN A 61 -14.603 -10.792 4.227 1.00 0.00 N ATOM 0 H GLN A 61 -13.081 -5.841 5.497 1.00 0.00 H new ATOM 0 HA GLN A 61 -13.355 -6.923 2.998 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -13.880 -7.950 5.269 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -15.307 -6.939 5.380 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -16.517 -8.218 3.858 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -15.098 -8.680 2.940 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -14.059 -10.605 3.385 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -14.501 -11.683 4.712 1.00 0.00 H new ATOM 501 N GLU A 62 -15.474 -4.544 3.120 1.00 0.00 N ATOM 502 CA GLU A 62 -16.281 -3.690 2.259 1.00 0.00 C ATOM 503 C GLU A 62 -15.807 -3.569 0.775 1.00 0.00 C ATOM 504 O GLU A 62 -16.591 -3.352 -0.144 1.00 0.00 O ATOM 505 CB GLU A 62 -16.411 -2.299 2.932 1.00 0.00 C ATOM 506 CG GLU A 62 -17.233 -1.282 2.085 1.00 0.00 C ATOM 507 CD GLU A 62 -17.539 -0.028 2.885 1.00 0.00 C ATOM 508 OE1 GLU A 62 -18.080 -0.230 3.992 1.00 0.00 O ATOM 509 OE2 GLU A 62 -17.222 1.124 2.488 1.00 0.00 O ATOM 0 H GLU A 62 -15.221 -4.092 3.999 1.00 0.00 H new ATOM 0 HA GLU A 62 -17.252 -4.177 2.164 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -16.885 -2.417 3.907 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -15.415 -1.893 3.109 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -16.675 -1.017 1.187 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -18.164 -1.745 1.758 1.00 0.00 H new ATOM 516 N LEU A 63 -14.504 -3.756 0.549 1.00 0.00 N ATOM 517 CA LEU A 63 -13.831 -3.592 -0.735 1.00 0.00 C ATOM 518 C LEU A 63 -13.778 -4.890 -1.528 1.00 0.00 C ATOM 519 O LEU A 63 -13.403 -4.871 -2.690 1.00 0.00 O ATOM 520 CB LEU A 63 -12.393 -3.054 -0.490 1.00 0.00 C ATOM 521 CG LEU A 63 -12.254 -1.540 -0.234 1.00 0.00 C ATOM 522 CD1 LEU A 63 -12.978 -0.803 -1.361 1.00 0.00 C ATOM 523 CD2 LEU A 63 -12.829 -1.071 1.108 1.00 0.00 C ATOM 0 H LEU A 63 -13.864 -4.038 1.291 1.00 0.00 H new ATOM 0 HA LEU A 63 -14.404 -2.880 -1.329 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -11.973 -3.584 0.365 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.782 -3.310 -1.355 1.00 0.00 H new ATOM 0 HG LEU A 63 -11.187 -1.319 -0.202 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -12.895 0.273 -1.204 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -12.526 -1.066 -2.317 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -14.030 -1.089 -1.366 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -12.690 0.005 1.207 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -13.893 -1.305 1.150 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -12.314 -1.580 1.922 1.00 0.00 H new ATOM 535 N GLU A 64 -14.098 -6.016 -0.890 1.00 0.00 N ATOM 536 CA GLU A 64 -13.951 -7.387 -1.402 1.00 0.00 C ATOM 537 C GLU A 64 -12.496 -7.787 -1.766 1.00 0.00 C ATOM 538 O GLU A 64 -12.244 -8.922 -2.175 1.00 0.00 O ATOM 539 CB GLU A 64 -14.919 -7.666 -2.581 1.00 0.00 C ATOM 540 CG GLU A 64 -16.376 -7.228 -2.353 1.00 0.00 C ATOM 541 CD GLU A 64 -17.285 -7.590 -3.545 1.00 0.00 C ATOM 542 OE1 GLU A 64 -17.253 -6.860 -4.566 1.00 0.00 O ATOM 543 OE2 GLU A 64 -18.091 -8.541 -3.503 1.00 0.00 O ATOM 0 H GLU A 64 -14.489 -6.000 0.052 1.00 0.00 H new ATOM 0 HA GLU A 64 -14.227 -8.028 -0.564 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -14.539 -7.160 -3.469 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -14.907 -8.735 -2.794 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -16.759 -7.702 -1.449 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -16.408 -6.151 -2.187 1.00 0.00 H new ATOM 550 N TRP A 65 -11.516 -6.889 -1.624 1.00 0.00 N ATOM 551 CA TRP A 65 -10.151 -7.063 -2.139 1.00 0.00 C ATOM 552 C TRP A 65 -9.317 -8.098 -1.371 1.00 0.00 C ATOM 553 O TRP A 65 -9.031 -7.941 -0.183 1.00 0.00 O ATOM 554 CB TRP A 65 -9.441 -5.701 -2.116 1.00 0.00 C ATOM 555 CG TRP A 65 -9.850 -4.693 -3.155 1.00 0.00 C ATOM 556 CD1 TRP A 65 -10.801 -4.842 -4.108 1.00 0.00 C ATOM 557 CD2 TRP A 65 -9.331 -3.342 -3.337 1.00 0.00 C ATOM 558 NE1 TRP A 65 -10.923 -3.675 -4.834 1.00 0.00 N ATOM 559 CE2 TRP A 65 -10.037 -2.713 -4.406 1.00 0.00 C ATOM 560 CE3 TRP A 65 -8.336 -2.580 -2.692 1.00 0.00 C ATOM 561 CZ2 TRP A 65 -9.780 -1.394 -4.804 1.00 0.00 C ATOM 562 CZ3 TRP A 65 -8.058 -1.262 -3.090 1.00 0.00 C ATOM 563 CH2 TRP A 65 -8.778 -0.663 -4.138 1.00 0.00 C ATOM 0 H TRP A 65 -11.651 -6.002 -1.138 1.00 0.00 H new ATOM 0 HA TRP A 65 -10.241 -7.451 -3.154 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -9.597 -5.255 -1.134 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -8.370 -5.877 -2.219 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -11.378 -5.740 -4.275 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -11.589 -3.542 -5.595 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -7.778 -3.017 -1.877 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -10.342 -0.945 -5.610 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -7.283 -0.703 -2.586 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -8.563 0.354 -4.431 1.00 0.00 H new ATOM 574 N SER A 66 -8.879 -9.142 -2.072 1.00 0.00 N ATOM 575 CA SER A 66 -7.864 -10.085 -1.582 1.00 0.00 C ATOM 576 C SER A 66 -6.532 -9.358 -1.346 1.00 0.00 C ATOM 577 O SER A 66 -6.258 -8.339 -1.985 1.00 0.00 O ATOM 578 CB SER A 66 -7.674 -11.190 -2.629 1.00 0.00 C ATOM 579 OG SER A 66 -6.699 -12.120 -2.195 1.00 0.00 O ATOM 0 H SER A 66 -9.220 -9.363 -3.007 1.00 0.00 H new ATOM 0 HA SER A 66 -8.193 -10.518 -0.637 1.00 0.00 H new ATOM 0 HB2 SER A 66 -8.621 -11.701 -2.803 1.00 0.00 H new ATOM 0 HB3 SER A 66 -7.369 -10.751 -3.579 1.00 0.00 H new ATOM 0 HG SER A 66 -6.590 -12.820 -2.872 1.00 0.00 H new ATOM 585 N LEU A 67 -5.654 -9.880 -0.474 1.00 0.00 N ATOM 586 CA LEU A 67 -4.310 -9.348 -0.236 1.00 0.00 C ATOM 587 C LEU A 67 -3.530 -9.147 -1.569 1.00 0.00 C ATOM 588 O LEU A 67 -2.981 -8.068 -1.786 1.00 0.00 O ATOM 589 CB LEU A 67 -3.634 -10.248 0.827 1.00 0.00 C ATOM 590 CG LEU A 67 -2.497 -9.634 1.675 1.00 0.00 C ATOM 591 CD1 LEU A 67 -1.485 -8.975 0.768 1.00 0.00 C ATOM 592 CD2 LEU A 67 -2.876 -8.522 2.659 1.00 0.00 C ATOM 0 H LEU A 67 -5.867 -10.700 0.094 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.335 -8.339 0.175 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.408 -10.599 1.509 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.235 -11.126 0.318 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.145 -10.494 2.245 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.685 -8.543 1.369 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.068 -9.718 0.088 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.971 -8.188 0.192 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.984 -8.183 3.187 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.314 -7.686 2.113 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.600 -8.904 3.379 1.00 0.00 H new ATOM 604 N ALA A 68 -3.626 -10.085 -2.509 1.00 0.00 N ATOM 605 CA ALA A 68 -3.051 -9.943 -3.853 1.00 0.00 C ATOM 606 C ALA A 68 -3.494 -8.675 -4.609 1.00 0.00 C ATOM 607 O ALA A 68 -2.750 -8.205 -5.468 1.00 0.00 O ATOM 608 CB ALA A 68 -3.386 -11.217 -4.635 1.00 0.00 C ATOM 0 H ALA A 68 -4.107 -10.972 -2.363 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.973 -9.816 -3.750 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.973 -11.146 -5.641 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.956 -12.080 -4.126 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.468 -11.333 -4.695 1.00 0.00 H new ATOM 614 N THR A 69 -4.661 -8.068 -4.318 1.00 0.00 N ATOM 615 CA THR A 69 -5.071 -6.776 -4.874 1.00 0.00 C ATOM 616 C THR A 69 -4.216 -5.614 -4.360 1.00 0.00 C ATOM 617 O THR A 69 -3.693 -4.875 -5.191 1.00 0.00 O ATOM 618 CB THR A 69 -6.548 -6.440 -4.625 1.00 0.00 C ATOM 619 OG1 THR A 69 -7.342 -7.443 -5.207 1.00 0.00 O ATOM 620 CG2 THR A 69 -6.948 -5.107 -5.267 1.00 0.00 C ATOM 0 H THR A 69 -5.349 -8.471 -3.682 1.00 0.00 H new ATOM 0 HA THR A 69 -4.919 -6.893 -5.947 1.00 0.00 H new ATOM 0 HB THR A 69 -6.696 -6.372 -3.547 1.00 0.00 H new ATOM 0 HG1 THR A 69 -8.289 -7.241 -5.053 1.00 0.00 H new ATOM 0 HG21 THR A 69 -8.001 -4.908 -5.066 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.341 -4.305 -4.848 1.00 0.00 H new ATOM 0 HG23 THR A 69 -6.787 -5.159 -6.344 1.00 0.00 H new ATOM 628 N VAL A 70 -4.002 -5.437 -3.044 1.00 0.00 N ATOM 629 CA VAL A 70 -3.214 -4.267 -2.618 1.00 0.00 C ATOM 630 C VAL A 70 -1.794 -4.318 -3.189 1.00 0.00 C ATOM 631 O VAL A 70 -1.251 -3.324 -3.650 1.00 0.00 O ATOM 632 CB VAL A 70 -3.218 -4.081 -1.091 1.00 0.00 C ATOM 633 CG1 VAL A 70 -2.271 -5.001 -0.318 1.00 0.00 C ATOM 634 CG2 VAL A 70 -2.755 -2.656 -0.854 1.00 0.00 C ATOM 0 H VAL A 70 -4.339 -6.046 -2.298 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.701 -3.384 -3.031 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.220 -4.316 -0.733 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.349 -4.790 0.749 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.542 -6.040 -0.503 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.246 -4.828 -0.648 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.734 -2.454 0.217 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.755 -2.525 -1.268 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.443 -1.964 -1.340 1.00 0.00 H new ATOM 644 N LYS A 71 -1.239 -5.526 -3.225 1.00 0.00 N ATOM 645 CA LYS A 71 0.059 -5.890 -3.807 1.00 0.00 C ATOM 646 C LYS A 71 0.226 -5.377 -5.233 1.00 0.00 C ATOM 647 O LYS A 71 1.164 -4.630 -5.514 1.00 0.00 O ATOM 648 CB LYS A 71 0.167 -7.423 -3.794 1.00 0.00 C ATOM 649 CG LYS A 71 0.071 -8.031 -2.398 1.00 0.00 C ATOM 650 CD LYS A 71 1.476 -8.207 -1.878 1.00 0.00 C ATOM 651 CE LYS A 71 1.378 -8.498 -0.389 1.00 0.00 C ATOM 652 NZ LYS A 71 2.700 -8.828 0.177 1.00 0.00 N ATOM 0 H LYS A 71 -1.712 -6.335 -2.822 1.00 0.00 H new ATOM 0 HA LYS A 71 0.847 -5.428 -3.213 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -0.624 -7.840 -4.418 1.00 0.00 H new ATOM 0 HB3 LYS A 71 1.116 -7.716 -4.244 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -0.503 -7.382 -1.737 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -0.447 -8.989 -2.433 1.00 0.00 H new ATOM 0 HD2 LYS A 71 1.977 -9.024 -2.396 1.00 0.00 H new ATOM 0 HD3 LYS A 71 2.066 -7.308 -2.055 1.00 0.00 H new ATOM 0 HE2 LYS A 71 0.964 -7.632 0.127 1.00 0.00 H new ATOM 0 HE3 LYS A 71 0.690 -9.327 -0.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 2.579 -9.248 1.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 3.184 -9.507 -0.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 3.270 -7.962 0.254 1.00 0.00 H new ATOM 666 N THR A 72 -0.706 -5.753 -6.111 1.00 0.00 N ATOM 667 CA THR A 72 -0.702 -5.272 -7.504 1.00 0.00 C ATOM 668 C THR A 72 -0.914 -3.757 -7.578 1.00 0.00 C ATOM 669 O THR A 72 -0.206 -3.100 -8.329 1.00 0.00 O ATOM 670 CB THR A 72 -1.663 -6.028 -8.439 1.00 0.00 C ATOM 671 OG1 THR A 72 -1.623 -5.508 -9.752 1.00 0.00 O ATOM 672 CG2 THR A 72 -3.123 -5.965 -8.016 1.00 0.00 C ATOM 0 H THR A 72 -1.473 -6.387 -5.888 1.00 0.00 H new ATOM 0 HA THR A 72 0.296 -5.496 -7.881 1.00 0.00 H new ATOM 0 HB THR A 72 -1.312 -7.059 -8.389 1.00 0.00 H new ATOM 0 HG1 THR A 72 -2.243 -6.010 -10.322 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.732 -6.522 -8.728 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.233 -6.402 -7.023 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.451 -4.926 -7.994 1.00 0.00 H new ATOM 680 N LEU A 73 -1.817 -3.181 -6.781 1.00 0.00 N ATOM 681 CA LEU A 73 -2.167 -1.768 -6.805 1.00 0.00 C ATOM 682 C LEU A 73 -0.936 -0.901 -6.482 1.00 0.00 C ATOM 683 O LEU A 73 -0.531 -0.032 -7.266 1.00 0.00 O ATOM 684 CB LEU A 73 -3.312 -1.667 -5.779 1.00 0.00 C ATOM 685 CG LEU A 73 -4.209 -0.435 -5.821 1.00 0.00 C ATOM 686 CD1 LEU A 73 -5.058 -0.437 -4.546 1.00 0.00 C ATOM 687 CD2 LEU A 73 -3.396 0.839 -5.917 1.00 0.00 C ATOM 0 H LEU A 73 -2.339 -3.707 -6.080 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.490 -1.395 -7.777 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.946 -2.545 -5.900 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -2.873 -1.726 -4.783 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.844 -0.470 -6.706 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.713 0.434 -4.544 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.661 -1.345 -4.512 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.405 -0.402 -3.674 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.067 1.698 -5.945 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.741 0.919 -5.050 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.794 0.819 -6.826 1.00 0.00 H new ATOM 699 N LEU A 74 -0.248 -1.220 -5.378 1.00 0.00 N ATOM 700 CA LEU A 74 1.023 -0.597 -5.011 1.00 0.00 C ATOM 701 C LEU A 74 2.001 -0.619 -6.157 1.00 0.00 C ATOM 702 O LEU A 74 2.513 0.412 -6.557 1.00 0.00 O ATOM 703 CB LEU A 74 1.676 -1.371 -3.862 1.00 0.00 C ATOM 704 CG LEU A 74 0.979 -1.193 -2.527 1.00 0.00 C ATOM 705 CD1 LEU A 74 1.704 -2.060 -1.498 1.00 0.00 C ATOM 706 CD2 LEU A 74 0.957 0.277 -2.148 1.00 0.00 C ATOM 0 H LEU A 74 -0.564 -1.924 -4.711 1.00 0.00 H new ATOM 0 HA LEU A 74 0.799 0.431 -4.727 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.692 -2.431 -4.114 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.713 -1.051 -3.765 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.062 -1.514 -2.575 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.222 -1.951 -0.526 1.00 0.00 H new ATOM 0 HD12 LEU A 74 1.663 -3.104 -1.808 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.745 -1.744 -1.425 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.455 0.398 -1.188 1.00 0.00 H new ATOM 0 HD22 LEU A 74 1.979 0.649 -2.072 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.421 0.842 -2.911 1.00 0.00 H new ATOM 718 N GLY A 75 2.203 -1.811 -6.687 1.00 0.00 N ATOM 719 CA GLY A 75 3.103 -2.111 -7.800 1.00 0.00 C ATOM 720 C GLY A 75 2.836 -1.229 -9.025 1.00 0.00 C ATOM 721 O GLY A 75 3.756 -0.949 -9.784 1.00 0.00 O ATOM 0 H GLY A 75 1.723 -2.642 -6.340 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.135 -1.974 -7.476 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.993 -3.159 -8.080 1.00 0.00 H new ATOM 725 N ARG A 76 1.604 -0.743 -9.178 1.00 0.00 N ATOM 726 CA ARG A 76 1.238 0.251 -10.201 1.00 0.00 C ATOM 727 C ARG A 76 1.635 1.651 -9.762 1.00 0.00 C ATOM 728 O ARG A 76 2.221 2.371 -10.566 1.00 0.00 O ATOM 729 CB ARG A 76 -0.261 0.184 -10.526 1.00 0.00 C ATOM 730 CG ARG A 76 -0.734 -1.214 -10.963 1.00 0.00 C ATOM 731 CD ARG A 76 -0.452 -1.572 -12.429 1.00 0.00 C ATOM 732 NE ARG A 76 -0.766 -2.992 -12.686 1.00 0.00 N ATOM 733 CZ ARG A 76 -0.469 -3.687 -13.780 1.00 0.00 C ATOM 734 NH1 ARG A 76 -0.018 -3.132 -14.874 1.00 0.00 N ATOM 735 NH2 ARG A 76 -0.790 -4.949 -13.862 1.00 0.00 N ATOM 0 H ARG A 76 0.820 -1.028 -8.591 1.00 0.00 H new ATOM 0 HA ARG A 76 1.788 0.012 -11.111 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -0.829 0.493 -9.648 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -0.485 0.898 -11.318 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -0.255 -1.957 -10.326 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.807 -1.288 -10.788 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.048 -0.938 -13.085 1.00 0.00 H new ATOM 0 HD3 ARG A 76 0.595 -1.377 -12.662 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.262 -3.491 -11.948 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.120 -2.122 -14.914 1.00 0.00 H new ATOM 0 HH12 ARG A 76 0.196 -3.709 -15.688 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -1.270 -5.405 -13.086 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -0.561 -5.480 -14.702 1.00 0.00 H new ATOM 749 N LEU A 77 1.389 2.039 -8.496 1.00 0.00 N ATOM 750 CA LEU A 77 1.863 3.338 -7.984 1.00 0.00 C ATOM 751 C LEU A 77 3.380 3.485 -8.092 1.00 0.00 C ATOM 752 O LEU A 77 3.891 4.487 -8.581 1.00 0.00 O ATOM 753 CB LEU A 77 1.527 3.519 -6.491 1.00 0.00 C ATOM 754 CG LEU A 77 0.171 3.009 -6.033 1.00 0.00 C ATOM 755 CD1 LEU A 77 0.030 3.266 -4.548 1.00 0.00 C ATOM 756 CD2 LEU A 77 -0.946 3.616 -6.858 1.00 0.00 C ATOM 0 H LEU A 77 0.872 1.480 -7.817 1.00 0.00 H new ATOM 0 HA LEU A 77 1.357 4.083 -8.599 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.296 3.016 -5.905 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.590 4.581 -6.254 1.00 0.00 H new ATOM 0 HG LEU A 77 0.097 1.933 -6.194 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.940 2.904 -4.207 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.822 2.743 -4.011 1.00 0.00 H new ATOM 0 HD13 LEU A 77 0.106 4.336 -4.355 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.905 3.234 -6.509 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.928 4.701 -6.753 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.810 3.351 -7.906 1.00 0.00 H new ATOM 768 N VAL A 78 4.080 2.470 -7.582 1.00 0.00 N ATOM 769 CA VAL A 78 5.549 2.508 -7.439 1.00 0.00 C ATOM 770 C VAL A 78 6.269 2.390 -8.791 1.00 0.00 C ATOM 771 O VAL A 78 7.239 3.116 -9.003 1.00 0.00 O ATOM 772 CB VAL A 78 6.153 1.634 -6.293 1.00 0.00 C ATOM 773 CG1 VAL A 78 5.180 0.865 -5.381 1.00 0.00 C ATOM 774 CG2 VAL A 78 7.167 0.576 -6.737 1.00 0.00 C ATOM 0 H VAL A 78 3.655 1.602 -7.257 1.00 0.00 H new ATOM 0 HA VAL A 78 5.761 3.511 -7.070 1.00 0.00 H new ATOM 0 HB VAL A 78 6.614 2.450 -5.736 1.00 0.00 H new ATOM 0 HG11 VAL A 78 5.745 0.305 -4.636 1.00 0.00 H new ATOM 0 HG12 VAL A 78 4.517 1.570 -4.879 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.588 0.174 -5.981 1.00 0.00 H new ATOM 0 HG21 VAL A 78 7.524 0.026 -5.866 1.00 0.00 H new ATOM 0 HG22 VAL A 78 6.691 -0.115 -7.432 1.00 0.00 H new ATOM 0 HG23 VAL A 78 8.009 1.063 -7.229 1.00 0.00 H new ATOM 784 N LYS A 79 5.778 1.587 -9.752 1.00 0.00 N ATOM 785 CA LYS A 79 6.322 1.565 -11.131 1.00 0.00 C ATOM 786 C LYS A 79 5.990 2.773 -11.991 1.00 0.00 C ATOM 787 O LYS A 79 6.701 3.014 -12.962 1.00 0.00 O ATOM 788 CB LYS A 79 5.960 0.254 -11.854 1.00 0.00 C ATOM 789 CG LYS A 79 6.693 -0.971 -11.283 1.00 0.00 C ATOM 790 CD LYS A 79 8.198 -0.755 -11.079 1.00 0.00 C ATOM 791 CE LYS A 79 8.848 -0.292 -12.387 1.00 0.00 C ATOM 792 NZ LYS A 79 10.303 -0.047 -12.256 1.00 0.00 N ATOM 0 H LYS A 79 5.003 0.941 -9.603 1.00 0.00 H new ATOM 0 HA LYS A 79 7.402 1.619 -10.993 1.00 0.00 H new ATOM 0 HB2 LYS A 79 4.884 0.092 -11.783 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.199 0.352 -12.913 1.00 0.00 H new ATOM 0 HG2 LYS A 79 6.242 -1.240 -10.328 1.00 0.00 H new ATOM 0 HG3 LYS A 79 6.545 -1.817 -11.955 1.00 0.00 H new ATOM 0 HD2 LYS A 79 8.364 -0.012 -10.299 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.663 -1.681 -10.741 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.680 -1.046 -13.156 1.00 0.00 H new ATOM 0 HE3 LYS A 79 8.360 0.622 -12.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 10.687 0.263 -13.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.468 0.692 -11.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 10.778 -0.924 -11.961 1.00 0.00 H new ATOM 806 N LYS A 80 4.975 3.546 -11.610 1.00 0.00 N ATOM 807 CA LYS A 80 4.659 4.861 -12.195 1.00 0.00 C ATOM 808 C LYS A 80 5.135 6.036 -11.313 1.00 0.00 C ATOM 809 O LYS A 80 4.640 7.147 -11.449 1.00 0.00 O ATOM 810 CB LYS A 80 3.174 4.944 -12.604 1.00 0.00 C ATOM 811 CG LYS A 80 2.941 6.007 -13.703 1.00 0.00 C ATOM 812 CD LYS A 80 1.573 5.873 -14.383 1.00 0.00 C ATOM 813 CE LYS A 80 1.246 7.059 -15.306 1.00 0.00 C ATOM 814 NZ LYS A 80 2.195 7.210 -16.436 1.00 0.00 N ATOM 0 H LYS A 80 4.330 3.275 -10.868 1.00 0.00 H new ATOM 0 HA LYS A 80 5.235 4.963 -13.115 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.841 3.970 -12.963 1.00 0.00 H new ATOM 0 HB3 LYS A 80 2.569 5.186 -11.730 1.00 0.00 H new ATOM 0 HG2 LYS A 80 3.027 7.001 -13.264 1.00 0.00 H new ATOM 0 HG3 LYS A 80 3.725 5.922 -14.456 1.00 0.00 H new ATOM 0 HD2 LYS A 80 1.550 4.950 -14.963 1.00 0.00 H new ATOM 0 HD3 LYS A 80 0.800 5.789 -13.619 1.00 0.00 H new ATOM 0 HE2 LYS A 80 0.239 6.933 -15.703 1.00 0.00 H new ATOM 0 HE3 LYS A 80 1.245 7.977 -14.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 1.916 8.027 -17.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 3.155 7.360 -16.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 2.180 6.349 -17.019 1.00 0.00 H new ATOM 828 N GLU A 81 6.088 5.777 -10.424 1.00 0.00 N ATOM 829 CA GLU A 81 6.842 6.794 -9.662 1.00 0.00 C ATOM 830 C GLU A 81 6.002 7.707 -8.748 1.00 0.00 C ATOM 831 O GLU A 81 6.450 8.787 -8.366 1.00 0.00 O ATOM 832 CB GLU A 81 7.762 7.543 -10.655 1.00 0.00 C ATOM 833 CG GLU A 81 9.000 8.196 -10.025 1.00 0.00 C ATOM 834 CD GLU A 81 10.012 8.571 -11.112 1.00 0.00 C ATOM 835 OE1 GLU A 81 9.783 9.570 -11.831 1.00 0.00 O ATOM 836 OE2 GLU A 81 11.034 7.848 -11.254 1.00 0.00 O ATOM 0 H GLU A 81 6.374 4.824 -10.199 1.00 0.00 H new ATOM 0 HA GLU A 81 7.450 6.281 -8.917 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.090 6.842 -11.423 1.00 0.00 H new ATOM 0 HB3 GLU A 81 7.178 8.315 -11.157 1.00 0.00 H new ATOM 0 HG2 GLU A 81 8.707 9.086 -9.468 1.00 0.00 H new ATOM 0 HG3 GLU A 81 9.458 7.511 -9.312 1.00 0.00 H new ATOM 843 N MET A 82 4.793 7.290 -8.326 1.00 0.00 N ATOM 844 CA MET A 82 4.057 8.005 -7.290 1.00 0.00 C ATOM 845 C MET A 82 4.690 7.714 -5.923 1.00 0.00 C ATOM 846 O MET A 82 4.960 8.629 -5.147 1.00 0.00 O ATOM 847 CB MET A 82 2.580 7.570 -7.290 1.00 0.00 C ATOM 848 CG MET A 82 1.924 7.700 -8.667 1.00 0.00 C ATOM 849 SD MET A 82 1.813 9.394 -9.307 1.00 0.00 S ATOM 850 CE MET A 82 1.377 9.029 -11.027 1.00 0.00 C ATOM 0 H MET A 82 4.315 6.465 -8.690 1.00 0.00 H new ATOM 0 HA MET A 82 4.104 9.075 -7.491 1.00 0.00 H new ATOM 0 HB2 MET A 82 2.511 6.535 -6.956 1.00 0.00 H new ATOM 0 HB3 MET A 82 2.028 8.175 -6.571 1.00 0.00 H new ATOM 0 HG2 MET A 82 2.485 7.095 -9.379 1.00 0.00 H new ATOM 0 HG3 MET A 82 0.919 7.281 -8.615 1.00 0.00 H new ATOM 0 HE1 MET A 82 1.266 9.962 -11.580 1.00 0.00 H new ATOM 0 HE2 MET A 82 2.164 8.428 -11.482 1.00 0.00 H new ATOM 0 HE3 MET A 82 0.438 8.477 -11.055 1.00 0.00 H new ATOM 860 N LEU A 83 4.930 6.433 -5.631 1.00 0.00 N ATOM 861 CA LEU A 83 5.428 5.956 -4.329 1.00 0.00 C ATOM 862 C LEU A 83 6.772 5.231 -4.460 1.00 0.00 C ATOM 863 O LEU A 83 7.229 4.926 -5.566 1.00 0.00 O ATOM 864 CB LEU A 83 4.387 5.030 -3.648 1.00 0.00 C ATOM 865 CG LEU A 83 2.966 5.586 -3.430 1.00 0.00 C ATOM 866 CD1 LEU A 83 2.253 4.809 -2.320 1.00 0.00 C ATOM 867 CD2 LEU A 83 2.958 7.057 -3.054 1.00 0.00 C ATOM 0 H LEU A 83 4.782 5.680 -6.303 1.00 0.00 H new ATOM 0 HA LEU A 83 5.584 6.836 -3.704 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.304 4.123 -4.246 1.00 0.00 H new ATOM 0 HB3 LEU A 83 4.785 4.736 -2.677 1.00 0.00 H new ATOM 0 HG LEU A 83 2.449 5.471 -4.383 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.251 5.214 -2.178 1.00 0.00 H new ATOM 0 HD12 LEU A 83 2.183 3.758 -2.599 1.00 0.00 H new ATOM 0 HD13 LEU A 83 2.816 4.902 -1.391 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.930 7.391 -2.914 1.00 0.00 H new ATOM 0 HD22 LEU A 83 3.515 7.199 -2.128 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.423 7.639 -3.850 1.00 0.00 H new ATOM 879 N SER A 84 7.363 4.872 -3.321 1.00 0.00 N ATOM 880 CA SER A 84 8.537 3.990 -3.264 1.00 0.00 C ATOM 881 C SER A 84 8.440 2.984 -2.115 1.00 0.00 C ATOM 882 O SER A 84 7.501 3.005 -1.315 1.00 0.00 O ATOM 883 CB SER A 84 9.848 4.778 -3.186 1.00 0.00 C ATOM 884 OG SER A 84 9.822 5.922 -4.014 1.00 0.00 O ATOM 0 H SER A 84 7.042 5.185 -2.405 1.00 0.00 H new ATOM 0 HA SER A 84 8.545 3.430 -4.199 1.00 0.00 H new ATOM 0 HB2 SER A 84 10.030 5.080 -2.155 1.00 0.00 H new ATOM 0 HB3 SER A 84 10.677 4.135 -3.481 1.00 0.00 H new ATOM 0 HG SER A 84 10.674 6.401 -3.938 1.00 0.00 H new ATOM 890 N THR A 85 9.364 2.026 -2.071 1.00 0.00 N ATOM 891 CA THR A 85 9.248 0.876 -1.171 1.00 0.00 C ATOM 892 C THR A 85 10.580 0.172 -0.925 1.00 0.00 C ATOM 893 O THR A 85 11.415 0.077 -1.827 1.00 0.00 O ATOM 894 CB THR A 85 8.226 -0.104 -1.771 1.00 0.00 C ATOM 895 OG1 THR A 85 8.095 -1.253 -0.975 1.00 0.00 O ATOM 896 CG2 THR A 85 8.557 -0.558 -3.194 1.00 0.00 C ATOM 0 H THR A 85 10.204 2.022 -2.649 1.00 0.00 H new ATOM 0 HA THR A 85 8.917 1.238 -0.198 1.00 0.00 H new ATOM 0 HB THR A 85 7.295 0.461 -1.803 1.00 0.00 H new ATOM 0 HG1 THR A 85 8.087 -0.997 -0.029 1.00 0.00 H new ATOM 0 HG21 THR A 85 7.788 -1.247 -3.544 1.00 0.00 H new ATOM 0 HG22 THR A 85 8.595 0.309 -3.853 1.00 0.00 H new ATOM 0 HG23 THR A 85 9.524 -1.060 -3.200 1.00 0.00 H new ATOM 904 N GLU A 86 10.782 -0.341 0.297 1.00 0.00 N ATOM 905 CA GLU A 86 12.020 -1.023 0.730 1.00 0.00 C ATOM 906 C GLU A 86 11.738 -2.211 1.681 1.00 0.00 C ATOM 907 O GLU A 86 10.594 -2.412 2.084 1.00 0.00 O ATOM 908 CB GLU A 86 13.000 -0.016 1.357 1.00 0.00 C ATOM 909 CG GLU A 86 13.385 1.080 0.353 1.00 0.00 C ATOM 910 CD GLU A 86 14.609 1.867 0.808 1.00 0.00 C ATOM 911 OE1 GLU A 86 15.736 1.407 0.464 1.00 0.00 O ATOM 912 OE2 GLU A 86 14.438 2.926 1.433 1.00 0.00 O ATOM 0 H GLU A 86 10.076 -0.295 1.032 1.00 0.00 H new ATOM 0 HA GLU A 86 12.487 -1.448 -0.159 1.00 0.00 H new ATOM 0 HB2 GLU A 86 12.546 0.437 2.238 1.00 0.00 H new ATOM 0 HB3 GLU A 86 13.897 -0.537 1.693 1.00 0.00 H new ATOM 0 HG2 GLU A 86 13.585 0.628 -0.618 1.00 0.00 H new ATOM 0 HG3 GLU A 86 12.545 1.761 0.220 1.00 0.00 H new ATOM 919 N LYS A 87 12.757 -3.012 2.039 1.00 0.00 N ATOM 920 CA LYS A 87 12.591 -4.321 2.710 1.00 0.00 C ATOM 921 C LYS A 87 12.948 -4.306 4.203 1.00 0.00 C ATOM 922 O LYS A 87 14.090 -4.048 4.583 1.00 0.00 O ATOM 923 CB LYS A 87 13.415 -5.359 1.912 1.00 0.00 C ATOM 924 CG LYS A 87 12.699 -6.642 1.557 1.00 0.00 C ATOM 925 CD LYS A 87 12.739 -7.631 2.696 1.00 0.00 C ATOM 926 CE LYS A 87 11.755 -8.687 2.224 1.00 0.00 C ATOM 927 NZ LYS A 87 11.827 -9.931 3.022 1.00 0.00 N ATOM 0 H LYS A 87 13.733 -2.769 1.870 1.00 0.00 H new ATOM 0 HA LYS A 87 11.535 -4.590 2.706 1.00 0.00 H new ATOM 0 HB2 LYS A 87 13.757 -4.890 0.990 1.00 0.00 H new ATOM 0 HB3 LYS A 87 14.304 -5.610 2.491 1.00 0.00 H new ATOM 0 HG2 LYS A 87 11.663 -6.423 1.301 1.00 0.00 H new ATOM 0 HG3 LYS A 87 13.159 -7.084 0.673 1.00 0.00 H new ATOM 0 HD2 LYS A 87 13.738 -8.041 2.847 1.00 0.00 H new ATOM 0 HD3 LYS A 87 12.433 -7.180 3.640 1.00 0.00 H new ATOM 0 HE2 LYS A 87 10.743 -8.285 2.276 1.00 0.00 H new ATOM 0 HE3 LYS A 87 11.952 -8.919 1.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 10.897 -10.396 3.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 12.532 -10.571 2.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 12.103 -9.702 3.998 1.00 0.00 H new ATOM 941 N GLU A 88 11.979 -4.681 5.041 1.00 0.00 N ATOM 942 CA GLU A 88 12.064 -4.775 6.507 1.00 0.00 C ATOM 943 C GLU A 88 11.693 -6.190 6.995 1.00 0.00 C ATOM 944 O GLU A 88 10.532 -6.604 6.931 1.00 0.00 O ATOM 945 CB GLU A 88 11.133 -3.724 7.138 1.00 0.00 C ATOM 946 CG GLU A 88 11.884 -2.489 7.656 1.00 0.00 C ATOM 947 CD GLU A 88 12.729 -2.771 8.906 1.00 0.00 C ATOM 948 OE1 GLU A 88 12.645 -3.888 9.472 1.00 0.00 O ATOM 949 OE2 GLU A 88 13.468 -1.864 9.350 1.00 0.00 O ATOM 0 H GLU A 88 11.056 -4.944 4.697 1.00 0.00 H new ATOM 0 HA GLU A 88 13.092 -4.581 6.814 1.00 0.00 H new ATOM 0 HB2 GLU A 88 10.395 -3.410 6.399 1.00 0.00 H new ATOM 0 HB3 GLU A 88 10.585 -4.181 7.962 1.00 0.00 H new ATOM 0 HG2 GLU A 88 12.532 -2.109 6.866 1.00 0.00 H new ATOM 0 HG3 GLU A 88 11.164 -1.703 7.883 1.00 0.00 H new ATOM 956 N GLY A 89 12.695 -6.936 7.470 1.00 0.00 N ATOM 957 CA GLY A 89 12.575 -8.332 7.901 1.00 0.00 C ATOM 958 C GLY A 89 11.782 -9.209 6.928 1.00 0.00 C ATOM 959 O GLY A 89 12.118 -9.357 5.748 1.00 0.00 O ATOM 0 H GLY A 89 13.643 -6.573 7.568 1.00 0.00 H new ATOM 0 HA2 GLY A 89 13.573 -8.752 8.025 1.00 0.00 H new ATOM 0 HA3 GLY A 89 12.093 -8.361 8.878 1.00 0.00 H new ATOM 963 N ARG A 90 10.677 -9.785 7.413 1.00 0.00 N ATOM 964 CA ARG A 90 9.784 -10.664 6.635 1.00 0.00 C ATOM 965 C ARG A 90 8.966 -9.955 5.536 1.00 0.00 C ATOM 966 O ARG A 90 8.361 -10.635 4.709 1.00 0.00 O ATOM 967 CB ARG A 90 8.807 -11.398 7.580 1.00 0.00 C ATOM 968 CG ARG A 90 9.446 -12.147 8.770 1.00 0.00 C ATOM 969 CD ARG A 90 9.345 -11.356 10.086 1.00 0.00 C ATOM 970 NE ARG A 90 10.029 -12.054 11.190 1.00 0.00 N ATOM 971 CZ ARG A 90 9.822 -11.906 12.486 1.00 0.00 C ATOM 972 NH1 ARG A 90 8.945 -11.084 12.993 1.00 0.00 N ATOM 973 NH2 ARG A 90 10.525 -12.616 13.307 1.00 0.00 N ATOM 0 H ARG A 90 10.368 -9.653 8.376 1.00 0.00 H new ATOM 0 HA ARG A 90 10.451 -11.359 6.124 1.00 0.00 H new ATOM 0 HB2 ARG A 90 8.098 -10.669 7.974 1.00 0.00 H new ATOM 0 HB3 ARG A 90 8.234 -12.114 6.992 1.00 0.00 H new ATOM 0 HG2 ARG A 90 8.957 -13.113 8.892 1.00 0.00 H new ATOM 0 HG3 ARG A 90 10.495 -12.346 8.549 1.00 0.00 H new ATOM 0 HD2 ARG A 90 9.784 -10.367 9.952 1.00 0.00 H new ATOM 0 HD3 ARG A 90 8.296 -11.207 10.343 1.00 0.00 H new ATOM 0 HE ARG A 90 10.745 -12.729 10.922 1.00 0.00 H new ATOM 0 HH11 ARG A 90 8.370 -10.508 12.378 1.00 0.00 H new ATOM 0 HH12 ARG A 90 8.834 -11.017 14.005 1.00 0.00 H new ATOM 0 HH21 ARG A 90 11.220 -13.271 12.949 1.00 0.00 H new ATOM 0 HH22 ARG A 90 10.385 -12.521 14.313 1.00 0.00 H new ATOM 987 N LYS A 91 8.977 -8.619 5.478 1.00 0.00 N ATOM 988 CA LYS A 91 8.027 -7.819 4.684 1.00 0.00 C ATOM 989 C LYS A 91 8.617 -6.565 4.025 1.00 0.00 C ATOM 990 O LYS A 91 9.829 -6.351 3.989 1.00 0.00 O ATOM 991 CB LYS A 91 6.779 -7.561 5.535 1.00 0.00 C ATOM 992 CG LYS A 91 6.976 -6.469 6.590 1.00 0.00 C ATOM 993 CD LYS A 91 6.228 -6.871 7.854 1.00 0.00 C ATOM 994 CE LYS A 91 6.480 -5.897 9.009 1.00 0.00 C ATOM 995 NZ LYS A 91 7.743 -6.171 9.739 1.00 0.00 N ATOM 0 H LYS A 91 9.654 -8.051 5.987 1.00 0.00 H new ATOM 0 HA LYS A 91 7.744 -8.403 3.808 1.00 0.00 H new ATOM 0 HB2 LYS A 91 5.954 -7.279 4.881 1.00 0.00 H new ATOM 0 HB3 LYS A 91 6.489 -8.487 6.031 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.037 -6.337 6.804 1.00 0.00 H new ATOM 0 HG3 LYS A 91 6.605 -5.514 6.219 1.00 0.00 H new ATOM 0 HD2 LYS A 91 5.159 -6.914 7.644 1.00 0.00 H new ATOM 0 HD3 LYS A 91 6.535 -7.873 8.153 1.00 0.00 H new ATOM 0 HE2 LYS A 91 6.507 -4.880 8.619 1.00 0.00 H new ATOM 0 HE3 LYS A 91 5.645 -5.948 9.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 7.857 -5.480 10.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 7.712 -7.131 10.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 8.547 -6.095 9.083 1.00 0.00 H new ATOM 1009 N PHE A 92 7.732 -5.792 3.403 1.00 0.00 N ATOM 1010 CA PHE A 92 8.039 -4.504 2.771 1.00 0.00 C ATOM 1011 C PHE A 92 7.502 -3.318 3.580 1.00 0.00 C ATOM 1012 O PHE A 92 6.536 -3.444 4.340 1.00 0.00 O ATOM 1013 CB PHE A 92 7.440 -4.459 1.362 1.00 0.00 C ATOM 1014 CG PHE A 92 8.301 -5.202 0.386 1.00 0.00 C ATOM 1015 CD1 PHE A 92 8.180 -6.594 0.277 1.00 0.00 C ATOM 1016 CD2 PHE A 92 9.279 -4.504 -0.334 1.00 0.00 C ATOM 1017 CE1 PHE A 92 9.062 -7.300 -0.562 1.00 0.00 C ATOM 1018 CE2 PHE A 92 10.146 -5.202 -1.184 1.00 0.00 C ATOM 1019 CZ PHE A 92 10.045 -6.604 -1.297 1.00 0.00 C ATOM 0 H PHE A 92 6.748 -6.049 3.320 1.00 0.00 H new ATOM 0 HA PHE A 92 9.125 -4.419 2.727 1.00 0.00 H new ATOM 0 HB2 PHE A 92 6.440 -4.894 1.374 1.00 0.00 H new ATOM 0 HB3 PHE A 92 7.333 -3.423 1.042 1.00 0.00 H new ATOM 0 HD1 PHE A 92 7.417 -7.120 0.832 1.00 0.00 H new ATOM 0 HD2 PHE A 92 9.364 -3.432 -0.234 1.00 0.00 H new ATOM 0 HE1 PHE A 92 8.987 -8.374 -0.643 1.00 0.00 H new ATOM 0 HE2 PHE A 92 10.892 -4.667 -1.753 1.00 0.00 H new ATOM 0 HZ PHE A 92 10.719 -7.144 -1.945 1.00 0.00 H new ATOM 1029 N VAL A 93 8.085 -2.155 3.320 1.00 0.00 N ATOM 1030 CA VAL A 93 7.649 -0.828 3.754 1.00 0.00 C ATOM 1031 C VAL A 93 7.366 -0.022 2.494 1.00 0.00 C ATOM 1032 O VAL A 93 8.060 -0.167 1.488 1.00 0.00 O ATOM 1033 CB VAL A 93 8.733 -0.144 4.608 1.00 0.00 C ATOM 1034 CG1 VAL A 93 8.427 1.333 4.860 1.00 0.00 C ATOM 1035 CG2 VAL A 93 8.818 -0.840 5.967 1.00 0.00 C ATOM 0 H VAL A 93 8.936 -2.108 2.760 1.00 0.00 H new ATOM 0 HA VAL A 93 6.757 -0.900 4.377 1.00 0.00 H new ATOM 0 HB VAL A 93 9.670 -0.218 4.057 1.00 0.00 H new ATOM 0 HG11 VAL A 93 9.220 1.771 5.466 1.00 0.00 H new ATOM 0 HG12 VAL A 93 8.366 1.860 3.908 1.00 0.00 H new ATOM 0 HG13 VAL A 93 7.477 1.423 5.386 1.00 0.00 H new ATOM 0 HG21 VAL A 93 9.584 -0.359 6.575 1.00 0.00 H new ATOM 0 HG22 VAL A 93 7.855 -0.768 6.473 1.00 0.00 H new ATOM 0 HG23 VAL A 93 9.075 -1.889 5.823 1.00 0.00 H new ATOM 1045 N TYR A 94 6.353 0.826 2.563 1.00 0.00 N ATOM 1046 CA TYR A 94 5.870 1.666 1.475 1.00 0.00 C ATOM 1047 C TYR A 94 5.867 3.109 1.958 1.00 0.00 C ATOM 1048 O TYR A 94 5.175 3.456 2.922 1.00 0.00 O ATOM 1049 CB TYR A 94 4.483 1.165 1.054 1.00 0.00 C ATOM 1050 CG TYR A 94 4.551 -0.228 0.463 1.00 0.00 C ATOM 1051 CD1 TYR A 94 4.838 -0.372 -0.909 1.00 0.00 C ATOM 1052 CD2 TYR A 94 4.432 -1.374 1.280 1.00 0.00 C ATOM 1053 CE1 TYR A 94 5.027 -1.653 -1.465 1.00 0.00 C ATOM 1054 CE2 TYR A 94 4.588 -2.646 0.714 1.00 0.00 C ATOM 1055 CZ TYR A 94 4.896 -2.797 -0.647 1.00 0.00 C ATOM 1056 OH TYR A 94 5.033 -4.052 -1.154 1.00 0.00 O ATOM 0 H TYR A 94 5.817 0.955 3.421 1.00 0.00 H new ATOM 0 HA TYR A 94 6.511 1.616 0.595 1.00 0.00 H new ATOM 0 HB2 TYR A 94 3.818 1.163 1.918 1.00 0.00 H new ATOM 0 HB3 TYR A 94 4.054 1.851 0.323 1.00 0.00 H new ATOM 0 HD1 TYR A 94 4.913 0.503 -1.537 1.00 0.00 H new ATOM 0 HD2 TYR A 94 4.222 -1.270 2.334 1.00 0.00 H new ATOM 0 HE1 TYR A 94 5.271 -1.760 -2.512 1.00 0.00 H new ATOM 0 HE2 TYR A 94 4.470 -3.523 1.334 1.00 0.00 H new ATOM 0 HH TYR A 94 4.910 -4.709 -0.438 1.00 0.00 H new ATOM 1066 N ARG A 95 6.715 3.932 1.328 1.00 0.00 N ATOM 1067 CA ARG A 95 7.059 5.294 1.768 1.00 0.00 C ATOM 1068 C ARG A 95 7.295 6.272 0.596 1.00 0.00 C ATOM 1069 O ARG A 95 7.453 5.821 -0.537 1.00 0.00 O ATOM 1070 CB ARG A 95 8.332 5.199 2.644 1.00 0.00 C ATOM 1071 CG ARG A 95 9.596 4.747 1.873 1.00 0.00 C ATOM 1072 CD ARG A 95 10.875 4.875 2.712 1.00 0.00 C ATOM 1073 NE ARG A 95 11.151 6.283 3.055 1.00 0.00 N ATOM 1074 CZ ARG A 95 11.706 6.723 4.171 1.00 0.00 C ATOM 1075 NH1 ARG A 95 12.340 5.933 4.999 1.00 0.00 N ATOM 1076 NH2 ARG A 95 11.683 7.992 4.454 1.00 0.00 N ATOM 0 H ARG A 95 7.197 3.662 0.471 1.00 0.00 H new ATOM 0 HA ARG A 95 6.215 5.696 2.328 1.00 0.00 H new ATOM 0 HB2 ARG A 95 8.523 6.173 3.095 1.00 0.00 H new ATOM 0 HB3 ARG A 95 8.148 4.500 3.460 1.00 0.00 H new ATOM 0 HG2 ARG A 95 9.474 3.711 1.558 1.00 0.00 H new ATOM 0 HG3 ARG A 95 9.698 5.345 0.967 1.00 0.00 H new ATOM 0 HD2 ARG A 95 10.774 4.289 3.625 1.00 0.00 H new ATOM 0 HD3 ARG A 95 11.718 4.461 2.159 1.00 0.00 H new ATOM 0 HE ARG A 95 10.888 6.985 2.364 1.00 0.00 H new ATOM 0 HH11 ARG A 95 12.420 4.937 4.793 1.00 0.00 H new ATOM 0 HH12 ARG A 95 12.754 6.313 5.850 1.00 0.00 H new ATOM 0 HH21 ARG A 95 11.236 8.649 3.814 1.00 0.00 H new ATOM 0 HH22 ARG A 95 12.112 8.330 5.316 1.00 0.00 H new ATOM 1090 N PRO A 96 7.370 7.589 0.857 1.00 0.00 N ATOM 1091 CA PRO A 96 7.856 8.566 -0.119 1.00 0.00 C ATOM 1092 C PRO A 96 9.394 8.668 -0.117 1.00 0.00 C ATOM 1093 O PRO A 96 10.074 8.247 0.834 1.00 0.00 O ATOM 1094 CB PRO A 96 7.236 9.895 0.324 1.00 0.00 C ATOM 1095 CG PRO A 96 7.177 9.756 1.845 1.00 0.00 C ATOM 1096 CD PRO A 96 6.848 8.276 2.033 1.00 0.00 C ATOM 0 HA PRO A 96 7.579 8.283 -1.135 1.00 0.00 H new ATOM 0 HB2 PRO A 96 7.845 10.746 0.020 1.00 0.00 H new ATOM 0 HB3 PRO A 96 6.246 10.042 -0.107 1.00 0.00 H new ATOM 0 HG2 PRO A 96 8.124 10.023 2.313 1.00 0.00 H new ATOM 0 HG3 PRO A 96 6.413 10.400 2.281 1.00 0.00 H new ATOM 0 HD2 PRO A 96 7.304 7.889 2.944 1.00 0.00 H new ATOM 0 HD3 PRO A 96 5.772 8.125 2.126 1.00 0.00 H new