USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 542 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 34 GLN : amide:sc= -3.67! K(o=-3.7!,f=-2.2) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 80:sc= 0.515 USER MOD Single : A 44 CYS SG : rot 114:sc= -1.38 USER MOD Single : A 46 SER OG : rot 86:sc= 0.756 USER MOD Single : A 47 THR OG1 : rot -75:sc= 1.22 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0285 USER MOD Single : A 57 CYS SG : rot 180:sc= -2.56! USER MOD Single : A 58 GLN : amide:sc= -0.218 X(o=-0.22,f=-0.57) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 74 CYS SG : rot 180:sc= 0.184 USER MOD Single : A 76 GLN : amide:sc= -1.32 K(o=-1.3,f=-3.2) USER MOD Single : A 78 CYS SG : rot 80:sc= 0.712 USER MOD Single : A 79 GLN : amide:sc= -0.457 X(o=-0.46,f=-0.94) USER MOD Single : A 82 CYS SG : rot 80:sc= -0.334 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 LYS NZ :NH3+ 144:sc= -1.03 (180deg=-2.49) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 163:sc= -0.0758 (180deg=-0.38) USER MOD Single : A 97 ASN : amide:sc= -0.121 X(o=-0.12,f=0) USER MOD Single : A 98 LYS NZ :NH3+ -143:sc= -0.286 (180deg=-1.1) USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 142 N GLN A 34 -7.051 -5.593 8.254 1.00 0.00 N ATOM 143 CA GLN A 34 -6.752 -6.981 8.592 1.00 0.00 C ATOM 144 C GLN A 34 -5.747 -7.586 7.614 1.00 0.00 C ATOM 145 O GLN A 34 -5.438 -8.775 7.685 1.00 0.00 O ATOM 146 CB GLN A 34 -8.037 -7.818 8.619 1.00 0.00 C ATOM 147 CG GLN A 34 -8.857 -7.744 7.339 1.00 0.00 C ATOM 148 CD GLN A 34 -8.307 -8.621 6.227 1.00 0.00 C ATOM 149 OE1 GLN A 34 -8.435 -8.295 5.047 1.00 0.00 O ATOM 150 NE2 GLN A 34 -7.701 -9.743 6.598 1.00 0.00 N ATOM 0 HA GLN A 34 -6.305 -6.992 9.586 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -7.775 -8.859 8.810 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -8.656 -7.487 9.453 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -9.883 -8.042 7.554 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -8.890 -6.710 6.995 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -7.617 -9.974 7.588 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -7.319 -10.374 5.893 1.00 0.00 H new ATOM 159 N TRP A 35 -5.234 -6.759 6.709 1.00 0.00 N ATOM 160 CA TRP A 35 -4.260 -7.215 5.723 1.00 0.00 C ATOM 161 C TRP A 35 -2.963 -7.657 6.394 1.00 0.00 C ATOM 162 O TRP A 35 -2.649 -7.231 7.506 1.00 0.00 O ATOM 163 CB TRP A 35 -3.964 -6.105 4.709 1.00 0.00 C ATOM 164 CG TRP A 35 -5.010 -5.958 3.643 1.00 0.00 C ATOM 165 CD1 TRP A 35 -6.245 -6.541 3.610 1.00 0.00 C ATOM 166 CD2 TRP A 35 -4.905 -5.174 2.448 1.00 0.00 C ATOM 167 NE1 TRP A 35 -6.914 -6.168 2.470 1.00 0.00 N ATOM 168 CE2 TRP A 35 -6.112 -5.329 1.740 1.00 0.00 C ATOM 169 CE3 TRP A 35 -3.909 -4.357 1.909 1.00 0.00 C ATOM 170 CZ2 TRP A 35 -6.346 -4.696 0.521 1.00 0.00 C ATOM 171 CZ3 TRP A 35 -4.141 -3.729 0.700 1.00 0.00 C ATOM 172 CH2 TRP A 35 -5.353 -3.902 0.018 1.00 0.00 C ATOM 0 H TRP A 35 -5.476 -5.771 6.638 1.00 0.00 H new ATOM 0 HA TRP A 35 -4.690 -8.071 5.203 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -3.866 -5.158 5.240 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -3.003 -6.306 4.236 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -6.638 -7.200 4.370 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -7.854 -6.466 2.209 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -2.972 -4.218 2.429 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -7.278 -4.828 -0.008 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -3.377 -3.095 0.274 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -5.506 -3.398 -0.925 1.00 0.00 H new ATOM 183 N SER A 36 -2.213 -8.516 5.708 1.00 0.00 N ATOM 184 CA SER A 36 -0.945 -9.016 6.226 1.00 0.00 C ATOM 185 C SER A 36 0.207 -8.569 5.334 1.00 0.00 C ATOM 186 O SER A 36 -0.008 -7.933 4.305 1.00 0.00 O ATOM 187 CB SER A 36 -0.973 -10.542 6.321 1.00 0.00 C ATOM 188 OG SER A 36 -1.222 -11.128 5.054 1.00 0.00 O ATOM 0 H SER A 36 -2.464 -8.881 4.789 1.00 0.00 H new ATOM 0 HA SER A 36 -0.795 -8.605 7.224 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.021 -10.903 6.711 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.744 -10.851 7.026 1.00 0.00 H new ATOM 0 HG SER A 36 -1.233 -12.104 5.142 1.00 0.00 H new ATOM 194 N VAL A 37 1.430 -8.904 5.731 1.00 0.00 N ATOM 195 CA VAL A 37 2.610 -8.531 4.961 1.00 0.00 C ATOM 196 C VAL A 37 2.537 -9.074 3.537 1.00 0.00 C ATOM 197 O VAL A 37 2.752 -8.341 2.574 1.00 0.00 O ATOM 198 CB VAL A 37 3.904 -9.041 5.629 1.00 0.00 C ATOM 199 CG1 VAL A 37 5.123 -8.686 4.789 1.00 0.00 C ATOM 200 CG2 VAL A 37 4.039 -8.472 7.033 1.00 0.00 C ATOM 0 H VAL A 37 1.629 -9.432 6.580 1.00 0.00 H new ATOM 0 HA VAL A 37 2.632 -7.442 4.929 1.00 0.00 H new ATOM 0 HB VAL A 37 3.845 -10.127 5.700 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.023 -9.056 5.280 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.032 -9.144 3.804 1.00 0.00 H new ATOM 0 HG13 VAL A 37 5.187 -7.603 4.681 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.957 -8.842 7.489 1.00 0.00 H new ATOM 0 HG22 VAL A 37 4.072 -7.384 6.983 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.185 -8.782 7.635 1.00 0.00 H new ATOM 210 N ASP A 38 2.223 -10.359 3.412 1.00 0.00 N ATOM 211 CA ASP A 38 2.133 -11.004 2.106 1.00 0.00 C ATOM 212 C ASP A 38 1.057 -10.362 1.234 1.00 0.00 C ATOM 213 O ASP A 38 1.248 -10.183 0.030 1.00 0.00 O ATOM 214 CB ASP A 38 1.841 -12.495 2.276 1.00 0.00 C ATOM 215 CG ASP A 38 2.907 -13.205 3.087 1.00 0.00 C ATOM 216 OD1 ASP A 38 2.798 -13.212 4.331 1.00 0.00 O ATOM 217 OD2 ASP A 38 3.849 -13.755 2.479 1.00 0.00 O ATOM 0 H ASP A 38 2.026 -10.976 4.200 1.00 0.00 H new ATOM 0 HA ASP A 38 3.093 -10.874 1.606 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.874 -12.620 2.764 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.765 -12.962 1.294 1.00 0.00 H new ATOM 222 N ASP A 39 -0.072 -10.016 1.845 1.00 0.00 N ATOM 223 CA ASP A 39 -1.180 -9.404 1.116 1.00 0.00 C ATOM 224 C ASP A 39 -0.819 -8.005 0.623 1.00 0.00 C ATOM 225 O ASP A 39 -0.941 -7.708 -0.565 1.00 0.00 O ATOM 226 CB ASP A 39 -2.425 -9.338 2.001 1.00 0.00 C ATOM 227 CG ASP A 39 -3.651 -8.874 1.240 1.00 0.00 C ATOM 228 OD1 ASP A 39 -3.785 -7.651 1.020 1.00 0.00 O ATOM 229 OD2 ASP A 39 -4.475 -9.733 0.860 1.00 0.00 O ATOM 0 H ASP A 39 -0.245 -10.148 2.842 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.388 -10.027 0.246 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.617 -10.323 2.428 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.240 -8.660 2.834 1.00 0.00 H new ATOM 234 N VAL A 40 -0.379 -7.150 1.542 1.00 0.00 N ATOM 235 CA VAL A 40 -0.009 -5.780 1.202 1.00 0.00 C ATOM 236 C VAL A 40 1.030 -5.742 0.085 1.00 0.00 C ATOM 237 O VAL A 40 0.897 -4.975 -0.865 1.00 0.00 O ATOM 238 CB VAL A 40 0.545 -5.021 2.425 1.00 0.00 C ATOM 239 CG1 VAL A 40 0.971 -3.613 2.036 1.00 0.00 C ATOM 240 CG2 VAL A 40 -0.487 -4.979 3.543 1.00 0.00 C ATOM 0 H VAL A 40 -0.270 -7.382 2.529 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.921 -5.291 0.861 1.00 0.00 H new ATOM 0 HB VAL A 40 1.423 -5.555 2.789 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.359 -3.095 2.913 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.747 -3.666 1.273 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.112 -3.069 1.643 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.077 -4.439 4.397 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.385 -4.472 3.190 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.739 -5.996 3.844 1.00 0.00 H new ATOM 250 N ILE A 41 2.059 -6.571 0.205 1.00 0.00 N ATOM 251 CA ILE A 41 3.123 -6.624 -0.793 1.00 0.00 C ATOM 252 C ILE A 41 2.573 -6.902 -2.190 1.00 0.00 C ATOM 253 O ILE A 41 2.753 -6.101 -3.108 1.00 0.00 O ATOM 254 CB ILE A 41 4.170 -7.700 -0.438 1.00 0.00 C ATOM 255 CG1 ILE A 41 4.936 -7.301 0.824 1.00 0.00 C ATOM 256 CG2 ILE A 41 5.131 -7.919 -1.597 1.00 0.00 C ATOM 257 CD1 ILE A 41 5.845 -8.392 1.348 1.00 0.00 C ATOM 0 H ILE A 41 2.181 -7.218 0.984 1.00 0.00 H new ATOM 0 HA ILE A 41 3.600 -5.644 -0.792 1.00 0.00 H new ATOM 0 HB ILE A 41 3.648 -8.637 -0.246 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.532 -6.413 0.613 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.223 -7.029 1.602 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.861 -8.682 -1.325 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.574 -8.246 -2.475 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.648 -6.986 -1.822 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.357 -8.040 2.244 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.252 -9.274 1.591 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.582 -8.649 0.587 1.00 0.00 H new ATOM 269 N THR A 42 1.907 -8.040 -2.343 1.00 0.00 N ATOM 270 CA THR A 42 1.340 -8.438 -3.629 1.00 0.00 C ATOM 271 C THR A 42 0.500 -7.325 -4.254 1.00 0.00 C ATOM 272 O THR A 42 0.807 -6.848 -5.347 1.00 0.00 O ATOM 273 CB THR A 42 0.470 -9.703 -3.489 1.00 0.00 C ATOM 274 OG1 THR A 42 1.236 -10.758 -2.898 1.00 0.00 O ATOM 275 CG2 THR A 42 -0.060 -10.152 -4.842 1.00 0.00 C ATOM 0 H THR A 42 1.745 -8.708 -1.589 1.00 0.00 H new ATOM 0 HA THR A 42 2.186 -8.648 -4.284 1.00 0.00 H new ATOM 0 HB THR A 42 -0.378 -9.464 -2.848 1.00 0.00 H new ATOM 0 HG1 THR A 42 1.280 -10.626 -1.928 1.00 0.00 H new ATOM 0 HG21 THR A 42 -0.670 -11.046 -4.715 1.00 0.00 H new ATOM 0 HG22 THR A 42 -0.666 -9.357 -5.277 1.00 0.00 H new ATOM 0 HG23 THR A 42 0.776 -10.375 -5.505 1.00 0.00 H new ATOM 283 N TRP A 43 -0.557 -6.917 -3.560 1.00 0.00 N ATOM 284 CA TRP A 43 -1.445 -5.868 -4.060 1.00 0.00 C ATOM 285 C TRP A 43 -0.677 -4.591 -4.391 1.00 0.00 C ATOM 286 O TRP A 43 -0.769 -4.073 -5.505 1.00 0.00 O ATOM 287 CB TRP A 43 -2.538 -5.563 -3.033 1.00 0.00 C ATOM 288 CG TRP A 43 -3.493 -4.501 -3.488 1.00 0.00 C ATOM 289 CD1 TRP A 43 -4.617 -4.680 -4.241 1.00 0.00 C ATOM 290 CD2 TRP A 43 -3.405 -3.096 -3.224 1.00 0.00 C ATOM 291 NE1 TRP A 43 -5.233 -3.471 -4.465 1.00 0.00 N ATOM 292 CE2 TRP A 43 -4.509 -2.484 -3.850 1.00 0.00 C ATOM 293 CE3 TRP A 43 -2.503 -2.294 -2.519 1.00 0.00 C ATOM 294 CZ2 TRP A 43 -4.731 -1.111 -3.791 1.00 0.00 C ATOM 295 CZ3 TRP A 43 -2.725 -0.931 -2.462 1.00 0.00 C ATOM 296 CH2 TRP A 43 -3.831 -0.352 -3.095 1.00 0.00 C ATOM 0 H TRP A 43 -0.821 -7.295 -2.650 1.00 0.00 H new ATOM 0 HA TRP A 43 -1.902 -6.236 -4.979 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.094 -6.476 -2.821 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.073 -5.249 -2.099 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.971 -5.632 -4.608 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -6.089 -3.332 -5.002 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -1.647 -2.732 -2.027 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.584 -0.661 -4.278 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.034 -0.302 -1.920 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -3.977 0.716 -3.033 1.00 0.00 H new ATOM 307 N CYS A 44 0.074 -4.088 -3.415 1.00 0.00 N ATOM 308 CA CYS A 44 0.855 -2.865 -3.585 1.00 0.00 C ATOM 309 C CYS A 44 1.658 -2.887 -4.883 1.00 0.00 C ATOM 310 O CYS A 44 1.403 -2.099 -5.790 1.00 0.00 O ATOM 311 CB CYS A 44 1.798 -2.675 -2.397 1.00 0.00 C ATOM 312 SG CYS A 44 2.878 -1.233 -2.529 1.00 0.00 S ATOM 0 H CYS A 44 0.159 -4.512 -2.491 1.00 0.00 H new ATOM 0 HA CYS A 44 0.156 -2.030 -3.635 1.00 0.00 H new ATOM 0 HB2 CYS A 44 1.204 -2.588 -1.487 1.00 0.00 H new ATOM 0 HB3 CYS A 44 2.414 -3.568 -2.291 1.00 0.00 H new ATOM 0 HG CYS A 44 2.566 -0.372 -1.607 1.00 0.00 H new ATOM 318 N ILE A 45 2.626 -3.792 -4.959 1.00 0.00 N ATOM 319 CA ILE A 45 3.480 -3.919 -6.137 1.00 0.00 C ATOM 320 C ILE A 45 2.664 -4.035 -7.424 1.00 0.00 C ATOM 321 O ILE A 45 2.865 -3.269 -8.365 1.00 0.00 O ATOM 322 CB ILE A 45 4.399 -5.150 -6.019 1.00 0.00 C ATOM 323 CG1 ILE A 45 5.212 -5.085 -4.725 1.00 0.00 C ATOM 324 CG2 ILE A 45 5.319 -5.237 -7.228 1.00 0.00 C ATOM 325 CD1 ILE A 45 6.024 -6.334 -4.455 1.00 0.00 C ATOM 0 H ILE A 45 2.841 -4.454 -4.214 1.00 0.00 H new ATOM 0 HA ILE A 45 4.082 -3.011 -6.184 1.00 0.00 H new ATOM 0 HB ILE A 45 3.781 -6.048 -5.990 1.00 0.00 H new ATOM 0 HG12 ILE A 45 5.884 -4.228 -4.771 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.534 -4.915 -3.888 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.963 -6.111 -7.133 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.721 -5.324 -8.135 1.00 0.00 H new ATOM 0 HG23 ILE A 45 5.933 -4.338 -7.284 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.574 -6.216 -3.522 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.356 -7.192 -4.376 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.727 -6.495 -5.272 1.00 0.00 H new ATOM 337 N SER A 46 1.743 -4.991 -7.451 1.00 0.00 N ATOM 338 CA SER A 46 0.906 -5.225 -8.625 1.00 0.00 C ATOM 339 C SER A 46 0.123 -3.978 -9.034 1.00 0.00 C ATOM 340 O SER A 46 -0.441 -3.928 -10.127 1.00 0.00 O ATOM 341 CB SER A 46 -0.066 -6.375 -8.355 1.00 0.00 C ATOM 342 OG SER A 46 0.632 -7.575 -8.067 1.00 0.00 O ATOM 0 H SER A 46 1.555 -5.620 -6.670 1.00 0.00 H new ATOM 0 HA SER A 46 1.571 -5.485 -9.449 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.715 -6.118 -7.518 1.00 0.00 H new ATOM 0 HB3 SER A 46 -0.709 -6.524 -9.223 1.00 0.00 H new ATOM 0 HG SER A 46 0.848 -7.607 -7.112 1.00 0.00 H new ATOM 348 N THR A 47 0.087 -2.972 -8.163 1.00 0.00 N ATOM 349 CA THR A 47 -0.649 -1.746 -8.460 1.00 0.00 C ATOM 350 C THR A 47 0.201 -0.492 -8.259 1.00 0.00 C ATOM 351 O THR A 47 -0.295 0.622 -8.423 1.00 0.00 O ATOM 352 CB THR A 47 -1.910 -1.627 -7.581 1.00 0.00 C ATOM 353 OG1 THR A 47 -1.537 -1.534 -6.202 1.00 0.00 O ATOM 354 CG2 THR A 47 -2.830 -2.823 -7.779 1.00 0.00 C ATOM 0 H THR A 47 0.553 -2.980 -7.256 1.00 0.00 H new ATOM 0 HA THR A 47 -0.930 -1.814 -9.511 1.00 0.00 H new ATOM 0 HB THR A 47 -2.445 -0.725 -7.878 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.265 -2.417 -5.877 1.00 0.00 H new ATOM 0 HG21 THR A 47 -3.711 -2.713 -7.147 1.00 0.00 H new ATOM 0 HG22 THR A 47 -3.137 -2.877 -8.823 1.00 0.00 H new ATOM 0 HG23 THR A 47 -2.302 -3.737 -7.509 1.00 0.00 H new ATOM 362 N LEU A 48 1.474 -0.664 -7.912 1.00 0.00 N ATOM 363 CA LEU A 48 2.351 0.484 -7.685 1.00 0.00 C ATOM 364 C LEU A 48 3.135 0.853 -8.941 1.00 0.00 C ATOM 365 O LEU A 48 2.885 1.894 -9.548 1.00 0.00 O ATOM 366 CB LEU A 48 3.309 0.200 -6.522 1.00 0.00 C ATOM 367 CG LEU A 48 3.920 1.441 -5.864 1.00 0.00 C ATOM 368 CD1 LEU A 48 4.227 1.173 -4.399 1.00 0.00 C ATOM 369 CD2 LEU A 48 5.182 1.867 -6.594 1.00 0.00 C ATOM 0 H LEU A 48 1.918 -1.573 -7.783 1.00 0.00 H new ATOM 0 HA LEU A 48 1.721 1.336 -7.428 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.774 -0.369 -5.762 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.117 -0.435 -6.885 1.00 0.00 H new ATOM 0 HG LEU A 48 3.193 2.251 -5.925 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.660 2.066 -3.949 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.307 0.913 -3.876 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.934 0.347 -4.321 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.601 2.750 -6.111 1.00 0.00 H new ATOM 0 HD22 LEU A 48 5.911 1.057 -6.564 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.941 2.100 -7.631 1.00 0.00 H new ATOM 381 N GLU A 49 4.081 0.004 -9.333 1.00 0.00 N ATOM 382 CA GLU A 49 4.886 0.272 -10.522 1.00 0.00 C ATOM 383 C GLU A 49 5.189 -0.998 -11.312 1.00 0.00 C ATOM 384 O GLU A 49 4.762 -1.144 -12.457 1.00 0.00 O ATOM 385 CB GLU A 49 6.193 0.969 -10.136 1.00 0.00 C ATOM 386 CG GLU A 49 6.048 2.472 -9.956 1.00 0.00 C ATOM 387 CD GLU A 49 5.623 3.172 -11.232 1.00 0.00 C ATOM 388 OE1 GLU A 49 6.511 3.543 -12.030 1.00 0.00 O ATOM 389 OE2 GLU A 49 4.403 3.349 -11.435 1.00 0.00 O ATOM 0 H GLU A 49 4.308 -0.866 -8.851 1.00 0.00 H new ATOM 0 HA GLU A 49 4.299 0.928 -11.164 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.567 0.534 -9.209 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.941 0.773 -10.905 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.315 2.672 -9.174 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.997 2.887 -9.617 1.00 0.00 H new ATOM 396 N VAL A 50 5.928 -1.914 -10.691 1.00 0.00 N ATOM 397 CA VAL A 50 6.316 -3.158 -11.348 1.00 0.00 C ATOM 398 C VAL A 50 5.557 -4.358 -10.788 1.00 0.00 C ATOM 399 O VAL A 50 4.573 -4.205 -10.068 1.00 0.00 O ATOM 400 CB VAL A 50 7.831 -3.408 -11.202 1.00 0.00 C ATOM 401 CG1 VAL A 50 8.620 -2.218 -11.728 1.00 0.00 C ATOM 402 CG2 VAL A 50 8.192 -3.695 -9.751 1.00 0.00 C ATOM 0 H VAL A 50 6.270 -1.818 -9.735 1.00 0.00 H new ATOM 0 HA VAL A 50 6.063 -3.047 -12.402 1.00 0.00 H new ATOM 0 HB VAL A 50 8.094 -4.283 -11.796 1.00 0.00 H new ATOM 0 HG11 VAL A 50 9.687 -2.411 -11.617 1.00 0.00 H new ATOM 0 HG12 VAL A 50 8.387 -2.064 -12.781 1.00 0.00 H new ATOM 0 HG13 VAL A 50 8.352 -1.325 -11.163 1.00 0.00 H new ATOM 0 HG21 VAL A 50 9.265 -3.868 -9.671 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.915 -2.842 -9.132 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.655 -4.580 -9.411 1.00 0.00 H new ATOM 412 N GLU A 51 6.029 -5.553 -11.135 1.00 0.00 N ATOM 413 CA GLU A 51 5.415 -6.793 -10.673 1.00 0.00 C ATOM 414 C GLU A 51 6.198 -7.366 -9.497 1.00 0.00 C ATOM 415 O GLU A 51 7.166 -6.759 -9.038 1.00 0.00 O ATOM 416 CB GLU A 51 5.370 -7.811 -11.811 1.00 0.00 C ATOM 417 CG GLU A 51 6.735 -8.103 -12.413 1.00 0.00 C ATOM 418 CD GLU A 51 6.693 -9.218 -13.439 1.00 0.00 C ATOM 419 OE1 GLU A 51 6.711 -10.400 -13.033 1.00 0.00 O ATOM 420 OE2 GLU A 51 6.643 -8.910 -14.648 1.00 0.00 O ATOM 0 H GLU A 51 6.840 -5.688 -11.739 1.00 0.00 H new ATOM 0 HA GLU A 51 4.398 -6.577 -10.347 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.938 -8.741 -11.440 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.707 -7.441 -12.594 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.123 -7.198 -12.881 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.429 -8.373 -11.617 1.00 0.00 H new ATOM 427 N GLU A 52 5.784 -8.534 -9.010 1.00 0.00 N ATOM 428 CA GLU A 52 6.466 -9.162 -7.883 1.00 0.00 C ATOM 429 C GLU A 52 7.768 -9.818 -8.336 1.00 0.00 C ATOM 430 O GLU A 52 7.859 -11.041 -8.449 1.00 0.00 O ATOM 431 CB GLU A 52 5.558 -10.197 -7.213 1.00 0.00 C ATOM 432 CG GLU A 52 6.150 -10.797 -5.945 1.00 0.00 C ATOM 433 CD GLU A 52 5.207 -11.768 -5.261 1.00 0.00 C ATOM 434 OE1 GLU A 52 5.226 -12.965 -5.618 1.00 0.00 O ATOM 435 OE2 GLU A 52 4.450 -11.331 -4.369 1.00 0.00 O ATOM 0 H GLU A 52 4.989 -9.059 -9.374 1.00 0.00 H new ATOM 0 HA GLU A 52 6.705 -8.385 -7.157 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.603 -9.729 -6.972 1.00 0.00 H new ATOM 0 HB3 GLU A 52 5.350 -10.999 -7.922 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.079 -11.311 -6.191 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.404 -9.994 -5.252 1.00 0.00 H new ATOM 442 N THR A 53 8.766 -8.985 -8.603 1.00 0.00 N ATOM 443 CA THR A 53 10.078 -9.452 -9.030 1.00 0.00 C ATOM 444 C THR A 53 11.165 -8.585 -8.410 1.00 0.00 C ATOM 445 O THR A 53 12.187 -9.083 -7.936 1.00 0.00 O ATOM 446 CB THR A 53 10.223 -9.418 -10.562 1.00 0.00 C ATOM 447 OG1 THR A 53 10.001 -8.089 -11.048 1.00 0.00 O ATOM 448 CG2 THR A 53 9.243 -10.375 -11.222 1.00 0.00 C ATOM 0 H THR A 53 8.689 -7.971 -8.530 1.00 0.00 H new ATOM 0 HA THR A 53 10.183 -10.484 -8.696 1.00 0.00 H new ATOM 0 HB THR A 53 11.236 -9.731 -10.814 1.00 0.00 H new ATOM 0 HG1 THR A 53 10.097 -8.077 -12.023 1.00 0.00 H new ATOM 0 HG21 THR A 53 9.366 -10.332 -12.304 1.00 0.00 H new ATOM 0 HG22 THR A 53 9.436 -11.390 -10.875 1.00 0.00 H new ATOM 0 HG23 THR A 53 8.224 -10.090 -10.961 1.00 0.00 H new ATOM 456 N ASP A 54 10.921 -7.280 -8.425 1.00 0.00 N ATOM 457 CA ASP A 54 11.851 -6.304 -7.876 1.00 0.00 C ATOM 458 C ASP A 54 12.007 -6.488 -6.364 1.00 0.00 C ATOM 459 O ASP A 54 11.053 -6.862 -5.682 1.00 0.00 O ATOM 460 CB ASP A 54 11.349 -4.893 -8.193 1.00 0.00 C ATOM 461 CG ASP A 54 12.244 -3.807 -7.631 1.00 0.00 C ATOM 462 OD1 ASP A 54 13.227 -3.439 -8.308 1.00 0.00 O ATOM 463 OD2 ASP A 54 11.964 -3.324 -6.514 1.00 0.00 O ATOM 0 H ASP A 54 10.074 -6.870 -8.818 1.00 0.00 H new ATOM 0 HA ASP A 54 12.830 -6.452 -8.332 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.276 -4.773 -9.274 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.343 -4.772 -7.791 1.00 0.00 H new ATOM 468 N PRO A 55 13.216 -6.234 -5.820 1.00 0.00 N ATOM 469 CA PRO A 55 13.488 -6.369 -4.380 1.00 0.00 C ATOM 470 C PRO A 55 12.546 -5.542 -3.503 1.00 0.00 C ATOM 471 O PRO A 55 12.646 -5.576 -2.276 1.00 0.00 O ATOM 472 CB PRO A 55 14.925 -5.859 -4.238 1.00 0.00 C ATOM 473 CG PRO A 55 15.531 -6.055 -5.583 1.00 0.00 C ATOM 474 CD PRO A 55 14.422 -5.819 -6.566 1.00 0.00 C ATOM 0 HA PRO A 55 13.341 -7.397 -4.047 1.00 0.00 H new ATOM 0 HB2 PRO A 55 14.945 -4.810 -3.944 1.00 0.00 H new ATOM 0 HB3 PRO A 55 15.469 -6.415 -3.474 1.00 0.00 H new ATOM 0 HG2 PRO A 55 16.354 -5.359 -5.747 1.00 0.00 H new ATOM 0 HG3 PRO A 55 15.938 -7.061 -5.686 1.00 0.00 H new ATOM 0 HD2 PRO A 55 14.368 -4.773 -6.869 1.00 0.00 H new ATOM 0 HD3 PRO A 55 14.556 -6.407 -7.474 1.00 0.00 H new ATOM 482 N LEU A 56 11.640 -4.796 -4.132 1.00 0.00 N ATOM 483 CA LEU A 56 10.679 -3.972 -3.402 1.00 0.00 C ATOM 484 C LEU A 56 9.944 -4.801 -2.350 1.00 0.00 C ATOM 485 O LEU A 56 9.560 -4.292 -1.295 1.00 0.00 O ATOM 486 CB LEU A 56 9.676 -3.352 -4.381 1.00 0.00 C ATOM 487 CG LEU A 56 8.658 -2.387 -3.765 1.00 0.00 C ATOM 488 CD1 LEU A 56 9.338 -1.108 -3.302 1.00 0.00 C ATOM 489 CD2 LEU A 56 7.559 -2.070 -4.768 1.00 0.00 C ATOM 0 H LEU A 56 11.551 -4.745 -5.147 1.00 0.00 H new ATOM 0 HA LEU A 56 11.221 -3.176 -2.892 1.00 0.00 H new ATOM 0 HB2 LEU A 56 10.231 -2.821 -5.154 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.133 -4.158 -4.875 1.00 0.00 H new ATOM 0 HG LEU A 56 8.211 -2.869 -2.896 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.596 -0.438 -2.868 1.00 0.00 H new ATOM 0 HD12 LEU A 56 10.092 -1.348 -2.553 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.814 -0.620 -4.153 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.842 -1.383 -4.318 1.00 0.00 H new ATOM 0 HD22 LEU A 56 7.996 -1.609 -5.653 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.050 -2.991 -5.053 1.00 0.00 H new ATOM 501 N CYS A 57 9.760 -6.087 -2.646 1.00 0.00 N ATOM 502 CA CYS A 57 9.077 -6.999 -1.735 1.00 0.00 C ATOM 503 C CYS A 57 9.958 -7.333 -0.535 1.00 0.00 C ATOM 504 O CYS A 57 9.468 -7.474 0.587 1.00 0.00 O ATOM 505 CB CYS A 57 8.689 -8.286 -2.469 1.00 0.00 C ATOM 506 SG CYS A 57 8.185 -9.637 -1.377 1.00 0.00 S ATOM 0 H CYS A 57 10.076 -6.520 -3.514 1.00 0.00 H new ATOM 0 HA CYS A 57 8.175 -6.505 -1.374 1.00 0.00 H new ATOM 0 HB2 CYS A 57 7.873 -8.067 -3.158 1.00 0.00 H new ATOM 0 HB3 CYS A 57 9.535 -8.617 -3.072 1.00 0.00 H new ATOM 0 HG CYS A 57 7.875 -10.679 -2.090 1.00 0.00 H new ATOM 512 N GLN A 58 11.257 -7.462 -0.779 1.00 0.00 N ATOM 513 CA GLN A 58 12.209 -7.778 0.280 1.00 0.00 C ATOM 514 C GLN A 58 12.251 -6.670 1.328 1.00 0.00 C ATOM 515 O GLN A 58 12.532 -6.922 2.499 1.00 0.00 O ATOM 516 CB GLN A 58 13.605 -7.990 -0.307 1.00 0.00 C ATOM 517 CG GLN A 58 13.881 -9.427 -0.718 1.00 0.00 C ATOM 518 CD GLN A 58 13.911 -10.373 0.466 1.00 0.00 C ATOM 519 OE1 GLN A 58 12.894 -10.962 0.832 1.00 0.00 O ATOM 520 NE2 GLN A 58 15.081 -10.518 1.079 1.00 0.00 N ATOM 0 H GLN A 58 11.676 -7.352 -1.703 1.00 0.00 H new ATOM 0 HA GLN A 58 11.880 -8.698 0.764 1.00 0.00 H new ATOM 0 HB2 GLN A 58 13.727 -7.343 -1.176 1.00 0.00 H new ATOM 0 HB3 GLN A 58 14.349 -7.682 0.427 1.00 0.00 H new ATOM 0 HG2 GLN A 58 13.115 -9.754 -1.421 1.00 0.00 H new ATOM 0 HG3 GLN A 58 14.836 -9.475 -1.242 1.00 0.00 H new ATOM 0 HE21 GLN A 58 15.899 -10.011 0.742 1.00 0.00 H new ATOM 0 HE22 GLN A 58 15.161 -11.137 1.886 1.00 0.00 H new ATOM 529 N ARG A 59 11.973 -5.444 0.898 1.00 0.00 N ATOM 530 CA ARG A 59 11.981 -4.302 1.802 1.00 0.00 C ATOM 531 C ARG A 59 10.710 -4.270 2.647 1.00 0.00 C ATOM 532 O ARG A 59 10.768 -4.085 3.863 1.00 0.00 O ATOM 533 CB ARG A 59 12.123 -2.997 1.014 1.00 0.00 C ATOM 534 CG ARG A 59 12.405 -1.784 1.886 1.00 0.00 C ATOM 535 CD ARG A 59 13.747 -1.899 2.593 1.00 0.00 C ATOM 536 NE ARG A 59 14.006 -0.760 3.469 1.00 0.00 N ATOM 537 CZ ARG A 59 14.894 -0.777 4.458 1.00 0.00 C ATOM 538 NH1 ARG A 59 15.604 -1.872 4.698 1.00 0.00 N ATOM 539 NH2 ARG A 59 15.074 0.301 5.209 1.00 0.00 N ATOM 0 H ARG A 59 11.740 -5.217 -0.069 1.00 0.00 H new ATOM 0 HA ARG A 59 12.836 -4.404 2.470 1.00 0.00 H new ATOM 0 HB2 ARG A 59 12.929 -3.107 0.288 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.207 -2.822 0.449 1.00 0.00 H new ATOM 0 HG2 ARG A 59 12.393 -0.884 1.272 1.00 0.00 H new ATOM 0 HG3 ARG A 59 11.612 -1.675 2.626 1.00 0.00 H new ATOM 0 HD2 ARG A 59 13.770 -2.818 3.178 1.00 0.00 H new ATOM 0 HD3 ARG A 59 14.542 -1.973 1.851 1.00 0.00 H new ATOM 0 HE ARG A 59 13.476 0.097 3.313 1.00 0.00 H new ATOM 0 HH11 ARG A 59 15.469 -2.704 4.123 1.00 0.00 H new ATOM 0 HH12 ARG A 59 16.285 -1.882 5.458 1.00 0.00 H new ATOM 0 HH21 ARG A 59 14.531 1.145 5.028 1.00 0.00 H new ATOM 0 HH22 ARG A 59 15.756 0.286 5.967 1.00 0.00 H new ATOM 553 N LEU A 60 9.563 -4.453 1.997 1.00 0.00 N ATOM 554 CA LEU A 60 8.281 -4.451 2.697 1.00 0.00 C ATOM 555 C LEU A 60 8.193 -5.621 3.674 1.00 0.00 C ATOM 556 O LEU A 60 7.588 -5.507 4.741 1.00 0.00 O ATOM 557 CB LEU A 60 7.123 -4.523 1.697 1.00 0.00 C ATOM 558 CG LEU A 60 6.884 -3.251 0.880 1.00 0.00 C ATOM 559 CD1 LEU A 60 5.918 -3.528 -0.261 1.00 0.00 C ATOM 560 CD2 LEU A 60 6.350 -2.138 1.770 1.00 0.00 C ATOM 0 H LEU A 60 9.495 -4.604 0.991 1.00 0.00 H new ATOM 0 HA LEU A 60 8.208 -3.520 3.259 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.310 -5.347 1.009 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.209 -4.763 2.241 1.00 0.00 H new ATOM 0 HG LEU A 60 7.836 -2.928 0.458 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.758 -2.614 -0.833 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.335 -4.295 -0.913 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.967 -3.874 0.143 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.186 -1.241 1.172 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.408 -2.452 2.219 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.073 -1.922 2.557 1.00 0.00 H new ATOM 572 N ARG A 61 8.800 -6.744 3.301 1.00 0.00 N ATOM 573 CA ARG A 61 8.791 -7.937 4.140 1.00 0.00 C ATOM 574 C ARG A 61 9.656 -7.729 5.379 1.00 0.00 C ATOM 575 O ARG A 61 9.246 -8.048 6.496 1.00 0.00 O ATOM 576 CB ARG A 61 9.292 -9.145 3.341 1.00 0.00 C ATOM 577 CG ARG A 61 8.754 -10.481 3.832 1.00 0.00 C ATOM 578 CD ARG A 61 9.376 -10.892 5.158 1.00 0.00 C ATOM 579 NE ARG A 61 8.912 -12.205 5.595 1.00 0.00 N ATOM 580 CZ ARG A 61 9.297 -12.784 6.728 1.00 0.00 C ATOM 581 NH1 ARG A 61 10.147 -12.165 7.538 1.00 0.00 N ATOM 582 NH2 ARG A 61 8.831 -13.981 7.055 1.00 0.00 N ATOM 0 H ARG A 61 9.305 -6.852 2.421 1.00 0.00 H new ATOM 0 HA ARG A 61 7.767 -8.126 4.463 1.00 0.00 H new ATOM 0 HB2 ARG A 61 9.014 -9.016 2.295 1.00 0.00 H new ATOM 0 HB3 ARG A 61 10.381 -9.167 3.381 1.00 0.00 H new ATOM 0 HG2 ARG A 61 7.672 -10.417 3.943 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.953 -11.249 3.085 1.00 0.00 H new ATOM 0 HD2 ARG A 61 10.462 -10.905 5.061 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.133 -10.150 5.918 1.00 0.00 H new ATOM 0 HE ARG A 61 8.255 -12.707 4.997 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.506 -11.243 7.292 1.00 0.00 H new ATOM 0 HH12 ARG A 61 10.441 -12.612 8.407 1.00 0.00 H new ATOM 0 HH21 ARG A 61 8.176 -14.460 6.437 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.128 -14.424 7.925 1.00 0.00 H new ATOM 596 N GLU A 62 10.856 -7.191 5.173 1.00 0.00 N ATOM 597 CA GLU A 62 11.781 -6.932 6.270 1.00 0.00 C ATOM 598 C GLU A 62 11.099 -6.130 7.371 1.00 0.00 C ATOM 599 O GLU A 62 11.164 -6.488 8.547 1.00 0.00 O ATOM 600 CB GLU A 62 13.012 -6.180 5.759 1.00 0.00 C ATOM 601 CG GLU A 62 14.067 -5.938 6.827 1.00 0.00 C ATOM 602 CD GLU A 62 14.633 -7.227 7.389 1.00 0.00 C ATOM 603 OE1 GLU A 62 14.072 -7.738 8.381 1.00 0.00 O ATOM 604 OE2 GLU A 62 15.636 -7.727 6.837 1.00 0.00 O ATOM 0 H GLU A 62 11.210 -6.926 4.254 1.00 0.00 H new ATOM 0 HA GLU A 62 12.097 -7.889 6.684 1.00 0.00 H new ATOM 0 HB2 GLU A 62 13.459 -6.745 4.941 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.696 -5.221 5.348 1.00 0.00 H new ATOM 0 HG2 GLU A 62 14.877 -5.344 6.404 1.00 0.00 H new ATOM 0 HG3 GLU A 62 13.631 -5.353 7.637 1.00 0.00 H new ATOM 611 N ASN A 63 10.444 -5.041 6.981 1.00 0.00 N ATOM 612 CA ASN A 63 9.742 -4.190 7.932 1.00 0.00 C ATOM 613 C ASN A 63 8.261 -4.554 7.982 1.00 0.00 C ATOM 614 O ASN A 63 7.451 -4.001 7.238 1.00 0.00 O ATOM 615 CB ASN A 63 9.909 -2.717 7.555 1.00 0.00 C ATOM 616 CG ASN A 63 11.365 -2.318 7.417 1.00 0.00 C ATOM 617 OD1 ASN A 63 12.240 -2.874 8.081 1.00 0.00 O ATOM 618 ND2 ASN A 63 11.632 -1.349 6.549 1.00 0.00 N ATOM 0 H ASN A 63 10.385 -4.728 6.012 1.00 0.00 H new ATOM 0 HA ASN A 63 10.174 -4.350 8.920 1.00 0.00 H new ATOM 0 HB2 ASN A 63 9.392 -2.524 6.615 1.00 0.00 H new ATOM 0 HB3 ASN A 63 9.435 -2.094 8.314 1.00 0.00 H new ATOM 0 HD21 ASN A 63 12.594 -1.038 6.412 1.00 0.00 H new ATOM 0 HD22 ASN A 63 10.875 -0.916 6.020 1.00 0.00 H new ATOM 625 N ASP A 64 7.919 -5.500 8.853 1.00 0.00 N ATOM 626 CA ASP A 64 6.535 -5.940 9.002 1.00 0.00 C ATOM 627 C ASP A 64 5.623 -4.767 9.350 1.00 0.00 C ATOM 628 O ASP A 64 5.571 -4.327 10.499 1.00 0.00 O ATOM 629 CB ASP A 64 6.434 -7.020 10.081 1.00 0.00 C ATOM 630 CG ASP A 64 7.287 -8.233 9.766 1.00 0.00 C ATOM 631 OD1 ASP A 64 8.465 -8.253 10.176 1.00 0.00 O ATOM 632 OD2 ASP A 64 6.775 -9.164 9.107 1.00 0.00 O ATOM 0 H ASP A 64 8.581 -5.976 9.466 1.00 0.00 H new ATOM 0 HA ASP A 64 6.209 -6.357 8.049 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.741 -6.602 11.040 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.394 -7.328 10.187 1.00 0.00 H new ATOM 637 N ILE A 65 4.911 -4.265 8.347 1.00 0.00 N ATOM 638 CA ILE A 65 4.000 -3.144 8.538 1.00 0.00 C ATOM 639 C ILE A 65 2.597 -3.493 8.047 1.00 0.00 C ATOM 640 O ILE A 65 2.369 -3.638 6.846 1.00 0.00 O ATOM 641 CB ILE A 65 4.498 -1.884 7.798 1.00 0.00 C ATOM 642 CG1 ILE A 65 5.869 -1.453 8.332 1.00 0.00 C ATOM 643 CG2 ILE A 65 3.490 -0.750 7.931 1.00 0.00 C ATOM 644 CD1 ILE A 65 5.870 -1.091 9.804 1.00 0.00 C ATOM 0 H ILE A 65 4.948 -4.618 7.391 1.00 0.00 H new ATOM 0 HA ILE A 65 3.967 -2.935 9.607 1.00 0.00 H new ATOM 0 HB ILE A 65 4.602 -2.126 6.740 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.582 -2.260 8.166 1.00 0.00 H new ATOM 0 HG13 ILE A 65 6.219 -0.595 7.757 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.859 0.129 7.403 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.537 -1.058 7.501 1.00 0.00 H new ATOM 0 HG23 ILE A 65 3.351 -0.508 8.985 1.00 0.00 H new ATOM 0 HD11 ILE A 65 6.875 -0.797 10.106 1.00 0.00 H new ATOM 0 HD12 ILE A 65 5.183 -0.262 9.975 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.553 -1.953 10.391 1.00 0.00 H new ATOM 656 N VAL A 66 1.662 -3.626 8.984 1.00 0.00 N ATOM 657 CA VAL A 66 0.282 -3.956 8.645 1.00 0.00 C ATOM 658 C VAL A 66 -0.375 -2.831 7.855 1.00 0.00 C ATOM 659 O VAL A 66 0.190 -1.746 7.714 1.00 0.00 O ATOM 660 CB VAL A 66 -0.561 -4.237 9.903 1.00 0.00 C ATOM 661 CG1 VAL A 66 -0.111 -5.523 10.574 1.00 0.00 C ATOM 662 CG2 VAL A 66 -0.480 -3.067 10.872 1.00 0.00 C ATOM 0 H VAL A 66 1.835 -3.510 9.983 1.00 0.00 H new ATOM 0 HA VAL A 66 0.320 -4.857 8.033 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.601 -4.358 9.599 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.719 -5.703 11.460 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.226 -6.355 9.880 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.936 -5.435 10.864 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.082 -3.283 11.755 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.557 -2.912 11.169 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.857 -2.167 10.387 1.00 0.00 H new ATOM 672 N GLY A 67 -1.572 -3.098 7.344 1.00 0.00 N ATOM 673 CA GLY A 67 -2.290 -2.099 6.578 1.00 0.00 C ATOM 674 C GLY A 67 -2.828 -0.983 7.449 1.00 0.00 C ATOM 675 O GLY A 67 -3.233 0.066 6.948 1.00 0.00 O ATOM 0 H GLY A 67 -2.057 -3.989 7.447 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.627 -1.679 5.822 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.116 -2.574 6.049 1.00 0.00 H new ATOM 679 N ASP A 68 -2.829 -1.209 8.759 1.00 0.00 N ATOM 680 CA ASP A 68 -3.326 -0.215 9.705 1.00 0.00 C ATOM 681 C ASP A 68 -2.304 0.900 9.913 1.00 0.00 C ATOM 682 O ASP A 68 -2.628 1.955 10.459 1.00 0.00 O ATOM 683 CB ASP A 68 -3.654 -0.875 11.045 1.00 0.00 C ATOM 684 CG ASP A 68 -4.278 0.093 12.030 1.00 0.00 C ATOM 685 OD1 ASP A 68 -3.523 0.741 12.786 1.00 0.00 O ATOM 686 OD2 ASP A 68 -5.522 0.205 12.046 1.00 0.00 O ATOM 0 H ASP A 68 -2.492 -2.070 9.189 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.234 0.221 9.289 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.336 -1.709 10.879 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.742 -1.289 11.475 1.00 0.00 H new ATOM 691 N LEU A 69 -1.073 0.660 9.473 1.00 0.00 N ATOM 692 CA LEU A 69 -0.006 1.644 9.619 1.00 0.00 C ATOM 693 C LEU A 69 0.264 2.365 8.302 1.00 0.00 C ATOM 694 O LEU A 69 0.914 3.409 8.281 1.00 0.00 O ATOM 695 CB LEU A 69 1.275 0.967 10.109 1.00 0.00 C ATOM 696 CG LEU A 69 1.132 0.159 11.400 1.00 0.00 C ATOM 697 CD1 LEU A 69 2.426 -0.576 11.713 1.00 0.00 C ATOM 698 CD2 LEU A 69 0.743 1.065 12.559 1.00 0.00 C ATOM 0 H LEU A 69 -0.790 -0.205 9.013 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.330 2.381 10.354 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.640 0.305 9.324 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.036 1.732 10.261 1.00 0.00 H new ATOM 0 HG LEU A 69 0.340 -0.577 11.258 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.307 -1.146 12.635 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.666 -1.255 10.895 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.234 0.145 11.834 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.646 0.472 13.468 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.512 1.824 12.701 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.208 1.549 12.339 1.00 0.00 H new ATOM 710 N LEU A 70 -0.236 1.799 7.207 1.00 0.00 N ATOM 711 CA LEU A 70 -0.044 2.392 5.887 1.00 0.00 C ATOM 712 C LEU A 70 -0.478 3.862 5.861 1.00 0.00 C ATOM 713 O LEU A 70 0.283 4.722 5.415 1.00 0.00 O ATOM 714 CB LEU A 70 -0.802 1.592 4.821 1.00 0.00 C ATOM 715 CG LEU A 70 -0.251 0.190 4.541 1.00 0.00 C ATOM 716 CD1 LEU A 70 -1.133 -0.538 3.539 1.00 0.00 C ATOM 717 CD2 LEU A 70 1.179 0.268 4.029 1.00 0.00 C ATOM 0 H LEU A 70 -0.775 0.933 7.207 1.00 0.00 H new ATOM 0 HA LEU A 70 1.022 2.356 5.662 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -1.843 1.500 5.131 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.795 2.160 3.891 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.252 -0.371 5.476 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.727 -1.532 3.352 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.142 -0.628 3.941 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.163 0.024 2.605 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.552 -0.738 3.836 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.204 0.847 3.106 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.808 0.751 4.777 1.00 0.00 H new ATOM 729 N PRO A 71 -1.703 4.182 6.335 1.00 0.00 N ATOM 730 CA PRO A 71 -2.200 5.558 6.350 1.00 0.00 C ATOM 731 C PRO A 71 -1.750 6.328 7.588 1.00 0.00 C ATOM 732 O PRO A 71 -1.815 7.558 7.624 1.00 0.00 O ATOM 733 CB PRO A 71 -3.711 5.362 6.363 1.00 0.00 C ATOM 734 CG PRO A 71 -3.913 4.108 7.144 1.00 0.00 C ATOM 735 CD PRO A 71 -2.705 3.241 6.882 1.00 0.00 C ATOM 0 HA PRO A 71 -1.829 6.144 5.509 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -4.218 6.207 6.829 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -4.109 5.270 5.352 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.012 4.325 8.208 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.828 3.602 6.836 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -2.349 2.765 7.796 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -2.932 2.443 6.175 1.00 0.00 H new ATOM 743 N GLU A 72 -1.293 5.597 8.600 1.00 0.00 N ATOM 744 CA GLU A 72 -0.837 6.208 9.847 1.00 0.00 C ATOM 745 C GLU A 72 0.565 6.792 9.696 1.00 0.00 C ATOM 746 O GLU A 72 0.966 7.671 10.460 1.00 0.00 O ATOM 747 CB GLU A 72 -0.859 5.178 10.979 1.00 0.00 C ATOM 748 CG GLU A 72 -0.498 5.754 12.338 1.00 0.00 C ATOM 749 CD GLU A 72 -0.638 4.741 13.457 1.00 0.00 C ATOM 750 OE1 GLU A 72 0.324 3.980 13.695 1.00 0.00 O ATOM 751 OE2 GLU A 72 -1.711 4.708 14.096 1.00 0.00 O ATOM 0 H GLU A 72 -1.228 4.579 8.582 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.518 7.023 10.092 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.853 4.734 11.035 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.164 4.373 10.739 1.00 0.00 H new ATOM 0 HG2 GLU A 72 0.528 6.121 12.312 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.138 6.611 12.547 1.00 0.00 H new ATOM 758 N LEU A 73 1.308 6.304 8.706 1.00 0.00 N ATOM 759 CA LEU A 73 2.665 6.783 8.465 1.00 0.00 C ATOM 760 C LEU A 73 2.677 7.906 7.432 1.00 0.00 C ATOM 761 O LEU A 73 1.739 8.053 6.648 1.00 0.00 O ATOM 762 CB LEU A 73 3.564 5.636 7.998 1.00 0.00 C ATOM 763 CG LEU A 73 3.763 4.510 9.015 1.00 0.00 C ATOM 764 CD1 LEU A 73 4.620 3.402 8.423 1.00 0.00 C ATOM 765 CD2 LEU A 73 4.395 5.047 10.291 1.00 0.00 C ATOM 0 H LEU A 73 0.994 5.580 8.060 1.00 0.00 H new ATOM 0 HA LEU A 73 3.050 7.177 9.406 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.141 5.211 7.088 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.540 6.044 7.736 1.00 0.00 H new ATOM 0 HG LEU A 73 2.786 4.095 9.263 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.751 2.610 9.160 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.130 2.996 7.538 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.594 3.804 8.146 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.529 4.232 11.002 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.364 5.489 10.059 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.746 5.806 10.727 1.00 0.00 H new ATOM 777 N CYS A 74 3.747 8.695 7.440 1.00 0.00 N ATOM 778 CA CYS A 74 3.890 9.808 6.508 1.00 0.00 C ATOM 779 C CYS A 74 4.892 9.461 5.409 1.00 0.00 C ATOM 780 O CYS A 74 5.453 8.365 5.395 1.00 0.00 O ATOM 781 CB CYS A 74 4.341 11.065 7.260 1.00 0.00 C ATOM 782 SG CYS A 74 4.169 12.600 6.318 1.00 0.00 S ATOM 0 H CYS A 74 4.530 8.583 8.084 1.00 0.00 H new ATOM 0 HA CYS A 74 2.923 10.001 6.043 1.00 0.00 H new ATOM 0 HB2 CYS A 74 3.763 11.151 8.180 1.00 0.00 H new ATOM 0 HB3 CYS A 74 5.385 10.946 7.550 1.00 0.00 H new ATOM 0 HG CYS A 74 4.574 13.601 7.042 1.00 0.00 H new ATOM 788 N LEU A 75 5.111 10.396 4.486 1.00 0.00 N ATOM 789 CA LEU A 75 6.049 10.180 3.387 1.00 0.00 C ATOM 790 C LEU A 75 7.449 9.887 3.916 1.00 0.00 C ATOM 791 O LEU A 75 8.302 9.378 3.190 1.00 0.00 O ATOM 792 CB LEU A 75 6.095 11.401 2.460 1.00 0.00 C ATOM 793 CG LEU A 75 4.862 11.614 1.570 1.00 0.00 C ATOM 794 CD1 LEU A 75 4.615 10.397 0.692 1.00 0.00 C ATOM 795 CD2 LEU A 75 3.633 11.926 2.411 1.00 0.00 C ATOM 0 H LEU A 75 4.653 11.307 4.477 1.00 0.00 H new ATOM 0 HA LEU A 75 5.698 9.318 2.820 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.236 12.292 3.072 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.972 11.313 1.818 1.00 0.00 H new ATOM 0 HG LEU A 75 5.057 12.469 0.923 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.737 10.569 0.070 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.483 10.226 0.055 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.448 9.523 1.321 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.773 12.073 1.758 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.436 11.096 3.089 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.808 12.833 2.989 1.00 0.00 H new ATOM 807 N GLN A 76 7.681 10.220 5.183 1.00 0.00 N ATOM 808 CA GLN A 76 8.977 9.986 5.808 1.00 0.00 C ATOM 809 C GLN A 76 9.292 8.493 5.831 1.00 0.00 C ATOM 810 O GLN A 76 10.273 8.043 5.236 1.00 0.00 O ATOM 811 CB GLN A 76 8.986 10.555 7.231 1.00 0.00 C ATOM 812 CG GLN A 76 10.380 10.757 7.810 1.00 0.00 C ATOM 813 CD GLN A 76 11.075 9.453 8.148 1.00 0.00 C ATOM 814 OE1 GLN A 76 10.431 8.464 8.499 1.00 0.00 O ATOM 815 NE2 GLN A 76 12.399 9.446 8.049 1.00 0.00 N ATOM 0 H GLN A 76 6.989 10.652 5.795 1.00 0.00 H new ATOM 0 HA GLN A 76 9.745 10.493 5.224 1.00 0.00 H new ATOM 0 HB2 GLN A 76 8.462 11.511 7.232 1.00 0.00 H new ATOM 0 HB3 GLN A 76 8.427 9.884 7.883 1.00 0.00 H new ATOM 0 HG2 GLN A 76 10.988 11.312 7.095 1.00 0.00 H new ATOM 0 HG3 GLN A 76 10.309 11.368 8.710 1.00 0.00 H new ATOM 0 HE21 GLN A 76 12.893 10.288 7.754 1.00 0.00 H new ATOM 0 HE22 GLN A 76 12.922 8.598 8.268 1.00 0.00 H new ATOM 824 N ASP A 77 8.447 7.728 6.517 1.00 0.00 N ATOM 825 CA ASP A 77 8.627 6.285 6.614 1.00 0.00 C ATOM 826 C ASP A 77 8.445 5.628 5.251 1.00 0.00 C ATOM 827 O ASP A 77 9.047 4.593 4.963 1.00 0.00 O ATOM 828 CB ASP A 77 7.638 5.691 7.617 1.00 0.00 C ATOM 829 CG ASP A 77 7.826 6.247 9.014 1.00 0.00 C ATOM 830 OD1 ASP A 77 7.224 7.298 9.320 1.00 0.00 O ATOM 831 OD2 ASP A 77 8.577 5.634 9.801 1.00 0.00 O ATOM 0 H ASP A 77 7.631 8.085 7.014 1.00 0.00 H new ATOM 0 HA ASP A 77 9.642 6.091 6.962 1.00 0.00 H new ATOM 0 HB2 ASP A 77 6.620 5.893 7.283 1.00 0.00 H new ATOM 0 HB3 ASP A 77 7.756 4.608 7.641 1.00 0.00 H new ATOM 836 N CYS A 78 7.609 6.237 4.415 1.00 0.00 N ATOM 837 CA CYS A 78 7.349 5.716 3.080 1.00 0.00 C ATOM 838 C CYS A 78 8.579 5.875 2.192 1.00 0.00 C ATOM 839 O CYS A 78 8.822 5.065 1.298 1.00 0.00 O ATOM 840 CB CYS A 78 6.152 6.432 2.452 1.00 0.00 C ATOM 841 SG CYS A 78 4.598 6.191 3.344 1.00 0.00 S ATOM 0 H CYS A 78 7.101 7.092 4.640 1.00 0.00 H new ATOM 0 HA CYS A 78 7.118 4.654 3.167 1.00 0.00 H new ATOM 0 HB2 CYS A 78 6.367 7.499 2.400 1.00 0.00 H new ATOM 0 HB3 CYS A 78 6.029 6.081 1.427 1.00 0.00 H new ATOM 0 HG CYS A 78 4.559 6.988 4.370 1.00 0.00 H new ATOM 847 N GLN A 79 9.353 6.926 2.450 1.00 0.00 N ATOM 848 CA GLN A 79 10.563 7.190 1.681 1.00 0.00 C ATOM 849 C GLN A 79 11.648 6.184 2.045 1.00 0.00 C ATOM 850 O GLN A 79 12.394 5.720 1.183 1.00 0.00 O ATOM 851 CB GLN A 79 11.061 8.613 1.939 1.00 0.00 C ATOM 852 CG GLN A 79 12.259 9.004 1.088 1.00 0.00 C ATOM 853 CD GLN A 79 12.715 10.428 1.347 1.00 0.00 C ATOM 854 OE1 GLN A 79 12.557 10.951 2.451 1.00 0.00 O ATOM 855 NE2 GLN A 79 13.284 11.062 0.329 1.00 0.00 N ATOM 0 H GLN A 79 9.163 7.607 3.185 1.00 0.00 H new ATOM 0 HA GLN A 79 10.328 7.089 0.621 1.00 0.00 H new ATOM 0 HB2 GLN A 79 10.248 9.313 1.749 1.00 0.00 H new ATOM 0 HB3 GLN A 79 11.327 8.710 2.992 1.00 0.00 H new ATOM 0 HG2 GLN A 79 13.083 8.320 1.290 1.00 0.00 H new ATOM 0 HG3 GLN A 79 12.004 8.894 0.034 1.00 0.00 H new ATOM 0 HE21 GLN A 79 13.395 10.590 -0.568 1.00 0.00 H new ATOM 0 HE22 GLN A 79 13.611 12.021 0.444 1.00 0.00 H new ATOM 864 N ASP A 80 11.729 5.854 3.332 1.00 0.00 N ATOM 865 CA ASP A 80 12.704 4.900 3.818 1.00 0.00 C ATOM 866 C ASP A 80 12.423 3.511 3.254 1.00 0.00 C ATOM 867 O ASP A 80 13.284 2.632 3.280 1.00 0.00 O ATOM 868 CB ASP A 80 12.665 4.871 5.341 1.00 0.00 C ATOM 869 CG ASP A 80 13.314 6.094 5.960 1.00 0.00 C ATOM 870 OD1 ASP A 80 14.559 6.124 6.054 1.00 0.00 O ATOM 871 OD2 ASP A 80 12.576 7.022 6.353 1.00 0.00 O ATOM 0 H ASP A 80 11.123 6.240 4.056 1.00 0.00 H new ATOM 0 HA ASP A 80 13.697 5.205 3.487 1.00 0.00 H new ATOM 0 HB2 ASP A 80 11.629 4.805 5.674 1.00 0.00 H new ATOM 0 HB3 ASP A 80 13.172 3.974 5.698 1.00 0.00 H new ATOM 876 N LEU A 81 11.206 3.323 2.750 1.00 0.00 N ATOM 877 CA LEU A 81 10.801 2.051 2.172 1.00 0.00 C ATOM 878 C LEU A 81 11.449 1.853 0.807 1.00 0.00 C ATOM 879 O LEU A 81 11.438 0.753 0.254 1.00 0.00 O ATOM 880 CB LEU A 81 9.277 1.998 2.038 1.00 0.00 C ATOM 881 CG LEU A 81 8.566 0.984 2.940 1.00 0.00 C ATOM 882 CD1 LEU A 81 9.196 -0.396 2.809 1.00 0.00 C ATOM 883 CD2 LEU A 81 8.585 1.451 4.386 1.00 0.00 C ATOM 0 H LEU A 81 10.482 4.041 2.732 1.00 0.00 H new ATOM 0 HA LEU A 81 11.131 1.250 2.833 1.00 0.00 H new ATOM 0 HB2 LEU A 81 8.877 2.989 2.251 1.00 0.00 H new ATOM 0 HB3 LEU A 81 9.029 1.771 1.001 1.00 0.00 H new ATOM 0 HG LEU A 81 7.527 0.911 2.617 1.00 0.00 H new ATOM 0 HD11 LEU A 81 8.673 -1.098 3.459 1.00 0.00 H new ATOM 0 HD12 LEU A 81 9.121 -0.734 1.775 1.00 0.00 H new ATOM 0 HD13 LEU A 81 10.246 -0.346 3.099 1.00 0.00 H new ATOM 0 HD21 LEU A 81 8.075 0.718 5.012 1.00 0.00 H new ATOM 0 HD22 LEU A 81 9.617 1.559 4.720 1.00 0.00 H new ATOM 0 HD23 LEU A 81 8.076 2.412 4.465 1.00 0.00 H new ATOM 895 N CYS A 82 12.005 2.932 0.268 1.00 0.00 N ATOM 896 CA CYS A 82 12.662 2.890 -1.033 1.00 0.00 C ATOM 897 C CYS A 82 14.163 3.116 -0.886 1.00 0.00 C ATOM 898 O CYS A 82 14.636 3.541 0.169 1.00 0.00 O ATOM 899 CB CYS A 82 12.061 3.947 -1.962 1.00 0.00 C ATOM 900 SG CYS A 82 12.642 3.849 -3.673 1.00 0.00 S ATOM 0 H CYS A 82 12.014 3.849 0.714 1.00 0.00 H new ATOM 0 HA CYS A 82 12.502 1.903 -1.467 1.00 0.00 H new ATOM 0 HB2 CYS A 82 10.976 3.848 -1.953 1.00 0.00 H new ATOM 0 HB3 CYS A 82 12.294 4.936 -1.567 1.00 0.00 H new ATOM 0 HG CYS A 82 11.997 2.908 -4.297 1.00 0.00 H new ATOM 906 N ASP A 83 14.906 2.832 -1.951 1.00 0.00 N ATOM 907 CA ASP A 83 16.356 3.005 -1.944 1.00 0.00 C ATOM 908 C ASP A 83 16.732 4.441 -1.592 1.00 0.00 C ATOM 909 O ASP A 83 17.821 4.699 -1.078 1.00 0.00 O ATOM 910 CB ASP A 83 16.940 2.632 -3.307 1.00 0.00 C ATOM 911 CG ASP A 83 16.664 1.187 -3.677 1.00 0.00 C ATOM 912 OD1 ASP A 83 15.569 0.909 -4.209 1.00 0.00 O ATOM 913 OD2 ASP A 83 17.545 0.334 -3.437 1.00 0.00 O ATOM 0 H ASP A 83 14.528 2.481 -2.831 1.00 0.00 H new ATOM 0 HA ASP A 83 16.772 2.344 -1.184 1.00 0.00 H new ATOM 0 HB2 ASP A 83 16.520 3.287 -4.071 1.00 0.00 H new ATOM 0 HB3 ASP A 83 18.016 2.803 -3.297 1.00 0.00 H new ATOM 918 N GLY A 84 15.824 5.373 -1.873 1.00 0.00 N ATOM 919 CA GLY A 84 16.080 6.771 -1.578 1.00 0.00 C ATOM 920 C GLY A 84 15.255 7.710 -2.438 1.00 0.00 C ATOM 921 O GLY A 84 15.152 8.901 -2.144 1.00 0.00 O ATOM 0 H GLY A 84 14.917 5.184 -2.299 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.863 6.962 -0.527 1.00 0.00 H new ATOM 0 HA3 GLY A 84 17.139 6.982 -1.729 1.00 0.00 H new ATOM 925 N ASP A 85 14.664 7.174 -3.503 1.00 0.00 N ATOM 926 CA ASP A 85 13.846 7.975 -4.408 1.00 0.00 C ATOM 927 C ASP A 85 12.529 8.369 -3.744 1.00 0.00 C ATOM 928 O ASP A 85 11.712 7.512 -3.405 1.00 0.00 O ATOM 929 CB ASP A 85 13.573 7.202 -5.701 1.00 0.00 C ATOM 930 CG ASP A 85 12.851 8.040 -6.737 1.00 0.00 C ATOM 931 OD1 ASP A 85 13.452 9.013 -7.237 1.00 0.00 O ATOM 932 OD2 ASP A 85 11.687 7.719 -7.053 1.00 0.00 O ATOM 0 H ASP A 85 14.736 6.190 -3.760 1.00 0.00 H new ATOM 0 HA ASP A 85 14.396 8.885 -4.649 1.00 0.00 H new ATOM 0 HB2 ASP A 85 14.517 6.851 -6.117 1.00 0.00 H new ATOM 0 HB3 ASP A 85 12.977 6.319 -5.473 1.00 0.00 H new ATOM 937 N LEU A 86 12.331 9.671 -3.561 1.00 0.00 N ATOM 938 CA LEU A 86 11.119 10.183 -2.931 1.00 0.00 C ATOM 939 C LEU A 86 9.906 9.999 -3.838 1.00 0.00 C ATOM 940 O LEU A 86 8.819 9.660 -3.370 1.00 0.00 O ATOM 941 CB LEU A 86 11.286 11.664 -2.582 1.00 0.00 C ATOM 942 CG LEU A 86 10.092 12.303 -1.867 1.00 0.00 C ATOM 943 CD1 LEU A 86 9.890 11.678 -0.495 1.00 0.00 C ATOM 944 CD2 LEU A 86 10.288 13.806 -1.747 1.00 0.00 C ATOM 0 H LEU A 86 12.996 10.392 -3.841 1.00 0.00 H new ATOM 0 HA LEU A 86 10.953 9.615 -2.016 1.00 0.00 H new ATOM 0 HB2 LEU A 86 12.169 11.775 -1.952 1.00 0.00 H new ATOM 0 HB3 LEU A 86 11.478 12.218 -3.501 1.00 0.00 H new ATOM 0 HG LEU A 86 9.197 12.118 -2.460 1.00 0.00 H new ATOM 0 HD11 LEU A 86 9.037 12.146 -0.004 1.00 0.00 H new ATOM 0 HD12 LEU A 86 9.704 10.610 -0.606 1.00 0.00 H new ATOM 0 HD13 LEU A 86 10.785 11.830 0.109 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.431 14.245 -1.237 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.194 14.010 -1.176 1.00 0.00 H new ATOM 0 HD23 LEU A 86 10.380 14.242 -2.742 1.00 0.00 H new ATOM 956 N ASN A 87 10.099 10.230 -5.135 1.00 0.00 N ATOM 957 CA ASN A 87 9.023 10.093 -6.113 1.00 0.00 C ATOM 958 C ASN A 87 8.307 8.759 -5.951 1.00 0.00 C ATOM 959 O ASN A 87 7.080 8.701 -5.874 1.00 0.00 O ATOM 960 CB ASN A 87 9.586 10.201 -7.529 1.00 0.00 C ATOM 961 CG ASN A 87 8.507 10.460 -8.563 1.00 0.00 C ATOM 962 OD1 ASN A 87 7.941 9.527 -9.134 1.00 0.00 O ATOM 963 ND2 ASN A 87 8.219 11.732 -8.811 1.00 0.00 N ATOM 0 H ASN A 87 10.994 10.514 -5.534 1.00 0.00 H new ATOM 0 HA ASN A 87 8.306 10.896 -5.943 1.00 0.00 H new ATOM 0 HB2 ASN A 87 10.320 11.006 -7.565 1.00 0.00 H new ATOM 0 HB3 ASN A 87 10.111 9.279 -7.779 1.00 0.00 H new ATOM 0 HD21 ASN A 87 7.503 11.968 -9.498 1.00 0.00 H new ATOM 0 HD22 ASN A 87 8.713 12.473 -8.314 1.00 0.00 H new ATOM 970 N LYS A 88 9.091 7.690 -5.903 1.00 0.00 N ATOM 971 CA LYS A 88 8.558 6.345 -5.749 1.00 0.00 C ATOM 972 C LYS A 88 7.703 6.243 -4.488 1.00 0.00 C ATOM 973 O LYS A 88 6.652 5.596 -4.486 1.00 0.00 O ATOM 974 CB LYS A 88 9.713 5.343 -5.699 1.00 0.00 C ATOM 975 CG LYS A 88 9.278 3.892 -5.565 1.00 0.00 C ATOM 976 CD LYS A 88 8.531 3.414 -6.800 1.00 0.00 C ATOM 977 CE LYS A 88 8.600 1.902 -6.944 1.00 0.00 C ATOM 978 NZ LYS A 88 8.234 1.206 -5.678 1.00 0.00 N ATOM 0 H LYS A 88 10.108 7.731 -5.969 1.00 0.00 H new ATOM 0 HA LYS A 88 7.921 6.115 -6.603 1.00 0.00 H new ATOM 0 HB2 LYS A 88 10.310 5.449 -6.605 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.361 5.595 -4.859 1.00 0.00 H new ATOM 0 HG2 LYS A 88 10.153 3.263 -5.403 1.00 0.00 H new ATOM 0 HG3 LYS A 88 8.640 3.783 -4.688 1.00 0.00 H new ATOM 0 HD2 LYS A 88 7.489 3.727 -6.740 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.955 3.885 -7.687 1.00 0.00 H new ATOM 0 HE2 LYS A 88 7.929 1.582 -7.741 1.00 0.00 H new ATOM 0 HE3 LYS A 88 9.608 1.611 -7.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 7.714 0.333 -5.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 9.098 0.969 -5.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 7.635 1.829 -5.100 1.00 0.00 H new ATOM 992 N ALA A 89 8.156 6.894 -3.420 1.00 0.00 N ATOM 993 CA ALA A 89 7.431 6.884 -2.156 1.00 0.00 C ATOM 994 C ALA A 89 6.105 7.624 -2.287 1.00 0.00 C ATOM 995 O ALA A 89 5.119 7.270 -1.640 1.00 0.00 O ATOM 996 CB ALA A 89 8.276 7.503 -1.052 1.00 0.00 C ATOM 0 H ALA A 89 9.021 7.434 -3.406 1.00 0.00 H new ATOM 0 HA ALA A 89 7.220 5.847 -1.893 1.00 0.00 H new ATOM 0 HB1 ALA A 89 7.719 7.487 -0.115 1.00 0.00 H new ATOM 0 HB2 ALA A 89 9.197 6.932 -0.936 1.00 0.00 H new ATOM 0 HB3 ALA A 89 8.518 8.533 -1.313 1.00 0.00 H new ATOM 1002 N ILE A 90 6.090 8.655 -3.126 1.00 0.00 N ATOM 1003 CA ILE A 90 4.883 9.443 -3.347 1.00 0.00 C ATOM 1004 C ILE A 90 3.774 8.574 -3.928 1.00 0.00 C ATOM 1005 O ILE A 90 2.641 8.596 -3.448 1.00 0.00 O ATOM 1006 CB ILE A 90 5.148 10.632 -4.294 1.00 0.00 C ATOM 1007 CG1 ILE A 90 6.179 11.582 -3.676 1.00 0.00 C ATOM 1008 CG2 ILE A 90 3.853 11.372 -4.597 1.00 0.00 C ATOM 1009 CD1 ILE A 90 6.636 12.678 -4.616 1.00 0.00 C ATOM 0 H ILE A 90 6.900 8.964 -3.664 1.00 0.00 H new ATOM 0 HA ILE A 90 4.571 9.833 -2.378 1.00 0.00 H new ATOM 0 HB ILE A 90 5.549 10.247 -5.232 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.751 12.037 -2.782 1.00 0.00 H new ATOM 0 HG13 ILE A 90 7.046 11.005 -3.356 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.059 12.207 -5.266 1.00 0.00 H new ATOM 0 HG22 ILE A 90 3.148 10.691 -5.073 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.423 11.748 -3.669 1.00 0.00 H new ATOM 0 HD11 ILE A 90 7.365 13.311 -4.110 1.00 0.00 H new ATOM 0 HD12 ILE A 90 7.094 12.232 -5.499 1.00 0.00 H new ATOM 0 HD13 ILE A 90 5.779 13.280 -4.916 1.00 0.00 H new ATOM 1021 N LYS A 91 4.106 7.810 -4.965 1.00 0.00 N ATOM 1022 CA LYS A 91 3.137 6.929 -5.606 1.00 0.00 C ATOM 1023 C LYS A 91 2.570 5.938 -4.594 1.00 0.00 C ATOM 1024 O LYS A 91 1.371 5.662 -4.580 1.00 0.00 O ATOM 1025 CB LYS A 91 3.791 6.170 -6.766 1.00 0.00 C ATOM 1026 CG LYS A 91 4.578 7.059 -7.718 1.00 0.00 C ATOM 1027 CD LYS A 91 3.672 8.020 -8.473 1.00 0.00 C ATOM 1028 CE LYS A 91 4.469 8.898 -9.426 1.00 0.00 C ATOM 1029 NZ LYS A 91 3.592 9.816 -10.202 1.00 0.00 N ATOM 0 H LYS A 91 5.038 7.784 -5.378 1.00 0.00 H new ATOM 0 HA LYS A 91 2.324 7.540 -5.997 1.00 0.00 H new ATOM 0 HB2 LYS A 91 4.458 5.409 -6.360 1.00 0.00 H new ATOM 0 HB3 LYS A 91 3.017 5.648 -7.328 1.00 0.00 H new ATOM 0 HG2 LYS A 91 5.321 7.625 -7.156 1.00 0.00 H new ATOM 0 HG3 LYS A 91 5.122 6.438 -8.429 1.00 0.00 H new ATOM 0 HD2 LYS A 91 2.926 7.456 -9.033 1.00 0.00 H new ATOM 0 HD3 LYS A 91 3.132 8.647 -7.764 1.00 0.00 H new ATOM 0 HE2 LYS A 91 5.195 9.482 -8.860 1.00 0.00 H new ATOM 0 HE3 LYS A 91 5.033 8.268 -10.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 4.174 10.396 -10.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 2.916 9.259 -10.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 3.072 10.435 -9.548 1.00 0.00 H new ATOM 1043 N PHE A 92 3.452 5.409 -3.752 1.00 0.00 N ATOM 1044 CA PHE A 92 3.063 4.451 -2.720 1.00 0.00 C ATOM 1045 C PHE A 92 1.981 5.034 -1.809 1.00 0.00 C ATOM 1046 O PHE A 92 0.866 4.507 -1.727 1.00 0.00 O ATOM 1047 CB PHE A 92 4.301 4.060 -1.905 1.00 0.00 C ATOM 1048 CG PHE A 92 4.034 3.106 -0.772 1.00 0.00 C ATOM 1049 CD1 PHE A 92 3.310 1.941 -0.975 1.00 0.00 C ATOM 1050 CD2 PHE A 92 4.522 3.374 0.498 1.00 0.00 C ATOM 1051 CE1 PHE A 92 3.076 1.063 0.067 1.00 0.00 C ATOM 1052 CE2 PHE A 92 4.291 2.499 1.544 1.00 0.00 C ATOM 1053 CZ PHE A 92 3.567 1.343 1.327 1.00 0.00 C ATOM 0 H PHE A 92 4.448 5.629 -3.764 1.00 0.00 H new ATOM 0 HA PHE A 92 2.647 3.564 -3.197 1.00 0.00 H new ATOM 0 HB2 PHE A 92 5.033 3.610 -2.576 1.00 0.00 H new ATOM 0 HB3 PHE A 92 4.753 4.965 -1.500 1.00 0.00 H new ATOM 0 HD1 PHE A 92 2.924 1.717 -1.959 1.00 0.00 H new ATOM 0 HD2 PHE A 92 5.089 4.276 0.672 1.00 0.00 H new ATOM 0 HE1 PHE A 92 2.510 0.159 -0.104 1.00 0.00 H new ATOM 0 HE2 PHE A 92 4.676 2.719 2.529 1.00 0.00 H new ATOM 0 HZ PHE A 92 3.385 0.658 2.142 1.00 0.00 H new ATOM 1063 N LYS A 93 2.317 6.127 -1.131 1.00 0.00 N ATOM 1064 CA LYS A 93 1.386 6.788 -0.222 1.00 0.00 C ATOM 1065 C LYS A 93 0.090 7.166 -0.935 1.00 0.00 C ATOM 1066 O LYS A 93 -0.994 7.065 -0.359 1.00 0.00 O ATOM 1067 CB LYS A 93 2.034 8.038 0.381 1.00 0.00 C ATOM 1068 CG LYS A 93 1.109 8.832 1.291 1.00 0.00 C ATOM 1069 CD LYS A 93 0.708 8.033 2.521 1.00 0.00 C ATOM 1070 CE LYS A 93 -0.315 8.782 3.361 1.00 0.00 C ATOM 1071 NZ LYS A 93 -1.570 9.043 2.603 1.00 0.00 N ATOM 0 H LYS A 93 3.231 6.575 -1.194 1.00 0.00 H new ATOM 0 HA LYS A 93 1.143 6.087 0.577 1.00 0.00 H new ATOM 0 HB2 LYS A 93 2.917 7.741 0.946 1.00 0.00 H new ATOM 0 HB3 LYS A 93 2.376 8.684 -0.427 1.00 0.00 H new ATOM 0 HG2 LYS A 93 1.605 9.752 1.600 1.00 0.00 H new ATOM 0 HG3 LYS A 93 0.215 9.122 0.738 1.00 0.00 H new ATOM 0 HD2 LYS A 93 0.295 7.072 2.214 1.00 0.00 H new ATOM 0 HD3 LYS A 93 1.591 7.822 3.124 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -0.545 8.203 4.255 1.00 0.00 H new ATOM 0 HE3 LYS A 93 0.111 9.728 3.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -2.333 9.286 3.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -1.420 9.834 1.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -1.835 8.192 2.067 1.00 0.00 H new ATOM 1085 N ILE A 94 0.208 7.604 -2.186 1.00 0.00 N ATOM 1086 CA ILE A 94 -0.960 7.996 -2.970 1.00 0.00 C ATOM 1087 C ILE A 94 -1.977 6.865 -3.049 1.00 0.00 C ATOM 1088 O ILE A 94 -3.100 6.999 -2.567 1.00 0.00 O ATOM 1089 CB ILE A 94 -0.573 8.415 -4.404 1.00 0.00 C ATOM 1090 CG1 ILE A 94 0.027 9.824 -4.404 1.00 0.00 C ATOM 1091 CG2 ILE A 94 -1.789 8.344 -5.322 1.00 0.00 C ATOM 1092 CD1 ILE A 94 0.546 10.265 -5.756 1.00 0.00 C ATOM 0 H ILE A 94 1.097 7.696 -2.677 1.00 0.00 H new ATOM 0 HA ILE A 94 -1.402 8.850 -2.457 1.00 0.00 H new ATOM 0 HB ILE A 94 0.181 7.723 -4.780 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.730 10.532 -4.067 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.842 9.862 -3.682 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.502 8.642 -6.330 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.172 7.324 -5.341 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -2.564 9.015 -4.952 1.00 0.00 H new ATOM 0 HD11 ILE A 94 0.956 11.272 -5.678 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.327 9.580 -6.087 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.270 10.261 -6.478 1.00 0.00 H new ATOM 1104 N LEU A 95 -1.580 5.761 -3.678 1.00 0.00 N ATOM 1105 CA LEU A 95 -2.458 4.609 -3.831 1.00 0.00 C ATOM 1106 C LEU A 95 -3.161 4.286 -2.522 1.00 0.00 C ATOM 1107 O LEU A 95 -4.339 3.923 -2.510 1.00 0.00 O ATOM 1108 CB LEU A 95 -1.661 3.395 -4.307 1.00 0.00 C ATOM 1109 CG LEU A 95 -0.902 3.591 -5.620 1.00 0.00 C ATOM 1110 CD1 LEU A 95 -0.095 2.348 -5.952 1.00 0.00 C ATOM 1111 CD2 LEU A 95 -1.863 3.924 -6.752 1.00 0.00 C ATOM 0 H LEU A 95 -0.654 5.642 -4.090 1.00 0.00 H new ATOM 0 HA LEU A 95 -3.213 4.855 -4.578 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -0.947 3.121 -3.530 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.344 2.554 -4.423 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.215 4.429 -5.500 1.00 0.00 H new ATOM 0 HD11 LEU A 95 0.440 2.501 -6.889 1.00 0.00 H new ATOM 0 HD12 LEU A 95 0.621 2.155 -5.153 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -0.766 1.495 -6.053 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -1.303 4.060 -7.677 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -2.576 3.109 -6.876 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.400 4.843 -6.515 1.00 0.00 H new ATOM 1123 N ILE A 96 -2.436 4.426 -1.419 1.00 0.00 N ATOM 1124 CA ILE A 96 -3.000 4.152 -0.108 1.00 0.00 C ATOM 1125 C ILE A 96 -4.043 5.201 0.275 1.00 0.00 C ATOM 1126 O ILE A 96 -5.027 4.897 0.949 1.00 0.00 O ATOM 1127 CB ILE A 96 -1.908 4.100 0.979 1.00 0.00 C ATOM 1128 CG1 ILE A 96 -0.835 3.076 0.605 1.00 0.00 C ATOM 1129 CG2 ILE A 96 -2.520 3.766 2.332 1.00 0.00 C ATOM 1130 CD1 ILE A 96 0.405 3.155 1.469 1.00 0.00 C ATOM 0 H ILE A 96 -1.461 4.726 -1.408 1.00 0.00 H new ATOM 0 HA ILE A 96 -3.480 3.176 -0.170 1.00 0.00 H new ATOM 0 HB ILE A 96 -1.439 5.081 1.049 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.258 2.074 0.682 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -0.552 3.223 -0.437 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -1.736 3.733 3.088 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -3.250 4.530 2.600 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -3.013 2.795 2.279 1.00 0.00 H new ATOM 0 HD11 ILE A 96 1.122 2.400 1.146 1.00 0.00 H new ATOM 0 HD12 ILE A 96 0.852 4.144 1.374 1.00 0.00 H new ATOM 0 HD13 ILE A 96 0.135 2.978 2.510 1.00 0.00 H new ATOM 1142 N ASN A 97 -3.817 6.435 -0.162 1.00 0.00 N ATOM 1143 CA ASN A 97 -4.729 7.535 0.131 1.00 0.00 C ATOM 1144 C ASN A 97 -6.126 7.273 -0.431 1.00 0.00 C ATOM 1145 O ASN A 97 -7.102 7.227 0.317 1.00 0.00 O ATOM 1146 CB ASN A 97 -4.179 8.846 -0.436 1.00 0.00 C ATOM 1147 CG ASN A 97 -5.081 10.028 -0.142 1.00 0.00 C ATOM 1148 OD1 ASN A 97 -4.947 10.682 0.892 1.00 0.00 O ATOM 1149 ND2 ASN A 97 -6.005 10.309 -1.053 1.00 0.00 N ATOM 0 H ASN A 97 -3.007 6.699 -0.723 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.810 7.615 1.215 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -3.191 9.034 -0.016 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -4.054 8.748 -1.514 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -6.640 11.094 -0.910 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -6.080 9.739 -1.896 1.00 0.00 H new ATOM 1156 N LYS A 98 -6.218 7.105 -1.750 1.00 0.00 N ATOM 1157 CA LYS A 98 -7.509 6.861 -2.397 1.00 0.00 C ATOM 1158 C LYS A 98 -8.195 5.622 -1.832 1.00 0.00 C ATOM 1159 O LYS A 98 -9.395 5.636 -1.562 1.00 0.00 O ATOM 1160 CB LYS A 98 -7.353 6.711 -3.910 1.00 0.00 C ATOM 1161 CG LYS A 98 -6.046 6.076 -4.313 1.00 0.00 C ATOM 1162 CD LYS A 98 -5.027 7.132 -4.688 1.00 0.00 C ATOM 1163 CE LYS A 98 -5.266 7.670 -6.091 1.00 0.00 C ATOM 1164 NZ LYS A 98 -5.373 6.576 -7.095 1.00 0.00 N ATOM 0 H LYS A 98 -5.422 7.133 -2.388 1.00 0.00 H new ATOM 0 HA LYS A 98 -8.133 7.731 -2.189 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -8.176 6.109 -4.296 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -7.431 7.693 -4.376 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -5.663 5.470 -3.492 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -6.208 5.405 -5.156 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -5.072 7.952 -3.971 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -4.024 6.709 -4.626 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -6.181 8.263 -6.101 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -4.450 8.338 -6.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -4.925 6.876 -7.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -4.893 5.726 -6.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -6.376 6.360 -7.268 1.00 0.00 H new ATOM 1178 N MET A 99 -7.424 4.553 -1.658 1.00 0.00 N ATOM 1179 CA MET A 99 -7.959 3.300 -1.133 1.00 0.00 C ATOM 1180 C MET A 99 -8.652 3.512 0.211 1.00 0.00 C ATOM 1181 O MET A 99 -9.717 2.951 0.465 1.00 0.00 O ATOM 1182 CB MET A 99 -6.836 2.269 -0.990 1.00 0.00 C ATOM 1183 CG MET A 99 -7.328 0.835 -0.856 1.00 0.00 C ATOM 1184 SD MET A 99 -8.034 0.483 0.765 1.00 0.00 S ATOM 1185 CE MET A 99 -8.543 -1.220 0.549 1.00 0.00 C ATOM 0 H MET A 99 -6.427 4.529 -1.873 1.00 0.00 H new ATOM 0 HA MET A 99 -8.702 2.928 -1.839 1.00 0.00 H new ATOM 0 HB2 MET A 99 -6.180 2.338 -1.858 1.00 0.00 H new ATOM 0 HB3 MET A 99 -6.235 2.520 -0.116 1.00 0.00 H new ATOM 0 HG2 MET A 99 -8.078 0.640 -1.623 1.00 0.00 H new ATOM 0 HG3 MET A 99 -6.498 0.153 -1.041 1.00 0.00 H new ATOM 0 HE1 MET A 99 -9.000 -1.583 1.470 1.00 0.00 H new ATOM 0 HE2 MET A 99 -9.266 -1.283 -0.264 1.00 0.00 H new ATOM 0 HE3 MET A 99 -7.673 -1.832 0.310 1.00 0.00 H new ATOM 1195 N ARG A 100 -8.043 4.327 1.066 1.00 0.00 N ATOM 1196 CA ARG A 100 -8.600 4.607 2.386 1.00 0.00 C ATOM 1197 C ARG A 100 -9.848 5.483 2.292 1.00 0.00 C ATOM 1198 O ARG A 100 -10.874 5.184 2.903 1.00 0.00 O ATOM 1199 CB ARG A 100 -7.551 5.288 3.268 1.00 0.00 C ATOM 1200 CG ARG A 100 -8.086 5.739 4.620 1.00 0.00 C ATOM 1201 CD ARG A 100 -7.036 6.508 5.404 1.00 0.00 C ATOM 1202 NE ARG A 100 -7.576 7.063 6.643 1.00 0.00 N ATOM 1203 CZ ARG A 100 -6.865 7.802 7.491 1.00 0.00 C ATOM 1204 NH1 ARG A 100 -5.590 8.065 7.240 1.00 0.00 N ATOM 1205 NH2 ARG A 100 -7.430 8.275 8.594 1.00 0.00 N ATOM 0 H ARG A 100 -7.164 4.805 0.869 1.00 0.00 H new ATOM 0 HA ARG A 100 -8.888 3.656 2.834 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -6.721 4.600 3.427 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -7.151 6.153 2.739 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -8.965 6.367 4.474 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -8.407 4.870 5.194 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -6.201 5.847 5.636 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -6.642 7.315 4.787 1.00 0.00 H new ATOM 0 HE ARG A 100 -8.552 6.873 6.871 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -5.151 7.701 6.395 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -5.048 8.632 7.892 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -8.410 8.072 8.792 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -6.885 8.841 9.244 1.00 0.00 H new ATOM 1219 N ASP A 101 -9.751 6.565 1.526 1.00 0.00 N ATOM 1220 CA ASP A 101 -10.867 7.493 1.362 1.00 0.00 C ATOM 1221 C ASP A 101 -12.100 6.794 0.796 1.00 0.00 C ATOM 1222 O ASP A 101 -13.087 6.592 1.502 1.00 0.00 O ATOM 1223 CB ASP A 101 -10.465 8.653 0.452 1.00 0.00 C ATOM 1224 CG ASP A 101 -11.597 9.639 0.241 1.00 0.00 C ATOM 1225 OD1 ASP A 101 -11.770 10.537 1.090 1.00 0.00 O ATOM 1226 OD2 ASP A 101 -12.312 9.514 -0.776 1.00 0.00 O ATOM 0 H ASP A 101 -8.911 6.822 1.008 1.00 0.00 H new ATOM 0 HA ASP A 101 -11.120 7.879 2.349 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -9.610 9.172 0.885 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -10.144 8.260 -0.513 1.00 0.00 H new