USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 272 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 129 CYS SG : rot 150:sc= -1.62! USER MOD Set 1.2: A 132 CYS SG : rot -54:sc= -1.01! USER MOD Set 1.3: A 134 SER OG : rot 110:sc= 0.664 USER MOD Set 1.4: A 154 CYS SG : rot -63:sc= -7.02! USER MOD Set 1.5: A 157 CYS SG : rot -125:sc= -3.45! USER MOD Set 1.6: A 159 THR OG1 : rot 105:sc= -1.87! USER MOD Set 2.1: A 149 THR OG1 : rot -108:sc= 1.1 USER MOD Set 2.2: A 151 THR OG1 : rot -150:sc= 0.905 USER MOD Set 3.1: A 128 LYS NZ :NH3+ 169:sc= 0.415 (180deg=0.363) USER MOD Set 3.2: A 135 THR OG1 : rot 180:sc= -0.651 USER MOD Single : A 126 SER OG : rot -24:sc= 0.559 USER MOD Single : A 133 SER OG : rot 47:sc= -0.351! USER MOD Single : A 137 THR OG1 : rot 180:sc= 0 USER MOD Single : A 142 ASN : amide:sc= -2.27! C(o=-2.3!,f=-4.6!) USER MOD Single : A 143 GLN : amide:sc= -2.04! C(o=-2!,f=-3.3!) USER MOD Single : A 148 MET CE :methyl 141:sc= -0.0943 (180deg=-0.918) USER MOD Single : A 155 THR OG1 : rot 76:sc= -1.37 USER MOD Single : A 158 HIS : no HD1:sc= -0.0113 X(o=-0.011,f=0) USER MOD ----------------------------------------------------------------- ATOM 211 N SER A 126 8.816 4.070 0.336 1.00 0.00 N ATOM 212 CA SER A 126 9.395 3.259 1.445 1.00 0.00 C ATOM 213 C SER A 126 10.862 3.637 1.655 1.00 0.00 C ATOM 214 O SER A 126 11.732 3.227 0.913 1.00 0.00 O ATOM 215 CB SER A 126 9.274 1.808 0.982 1.00 0.00 C ATOM 216 OG SER A 126 9.730 1.704 -0.361 1.00 0.00 O ATOM 0 HA SER A 126 8.883 3.424 2.393 1.00 0.00 H new ATOM 0 HB2 SER A 126 9.862 1.157 1.629 1.00 0.00 H new ATOM 0 HB3 SER A 126 8.238 1.477 1.053 1.00 0.00 H new ATOM 0 HG SER A 126 9.649 2.575 -0.802 1.00 0.00 H new ATOM 222 N PHE A 127 11.144 4.420 2.659 1.00 0.00 N ATOM 223 CA PHE A 127 12.557 4.826 2.910 1.00 0.00 C ATOM 224 C PHE A 127 13.157 4.003 4.052 1.00 0.00 C ATOM 225 O PHE A 127 12.463 3.554 4.942 1.00 0.00 O ATOM 226 CB PHE A 127 12.482 6.302 3.302 1.00 0.00 C ATOM 227 CG PHE A 127 11.720 7.070 2.250 1.00 0.00 C ATOM 228 CD1 PHE A 127 11.742 6.646 0.915 1.00 0.00 C ATOM 229 CD2 PHE A 127 10.991 8.210 2.609 1.00 0.00 C ATOM 230 CE1 PHE A 127 11.035 7.362 -0.059 1.00 0.00 C ATOM 231 CE2 PHE A 127 10.285 8.926 1.635 1.00 0.00 C ATOM 232 CZ PHE A 127 10.307 8.502 0.302 1.00 0.00 C ATOM 0 H PHE A 127 10.460 4.796 3.315 1.00 0.00 H new ATOM 0 HA PHE A 127 13.189 4.664 2.037 1.00 0.00 H new ATOM 0 HB2 PHE A 127 11.991 6.407 4.269 1.00 0.00 H new ATOM 0 HB3 PHE A 127 13.487 6.711 3.409 1.00 0.00 H new ATOM 0 HD1 PHE A 127 12.304 5.767 0.637 1.00 0.00 H new ATOM 0 HD2 PHE A 127 10.973 8.537 3.638 1.00 0.00 H new ATOM 0 HE1 PHE A 127 11.051 7.035 -1.088 1.00 0.00 H new ATOM 0 HE2 PHE A 127 9.723 9.806 1.913 1.00 0.00 H new ATOM 0 HZ PHE A 127 9.762 9.055 -0.449 1.00 0.00 H new ATOM 242 N LYS A 128 14.448 3.810 4.035 1.00 0.00 N ATOM 243 CA LYS A 128 15.103 3.028 5.116 1.00 0.00 C ATOM 244 C LYS A 128 16.284 3.822 5.678 1.00 0.00 C ATOM 245 O LYS A 128 17.013 4.468 4.953 1.00 0.00 O ATOM 246 CB LYS A 128 15.581 1.740 4.443 1.00 0.00 C ATOM 247 CG LYS A 128 16.552 0.996 5.367 1.00 0.00 C ATOM 248 CD LYS A 128 15.761 0.196 6.404 1.00 0.00 C ATOM 249 CE LYS A 128 16.204 -1.270 6.363 1.00 0.00 C ATOM 250 NZ LYS A 128 15.105 -1.995 5.661 1.00 0.00 N ATOM 0 H LYS A 128 15.078 4.163 3.315 1.00 0.00 H new ATOM 0 HA LYS A 128 14.433 2.816 5.949 1.00 0.00 H new ATOM 0 HB2 LYS A 128 14.728 1.103 4.210 1.00 0.00 H new ATOM 0 HB3 LYS A 128 16.072 1.974 3.498 1.00 0.00 H new ATOM 0 HG2 LYS A 128 17.186 0.328 4.784 1.00 0.00 H new ATOM 0 HG3 LYS A 128 17.211 1.706 5.866 1.00 0.00 H new ATOM 0 HD2 LYS A 128 15.924 0.609 7.400 1.00 0.00 H new ATOM 0 HD3 LYS A 128 14.693 0.270 6.199 1.00 0.00 H new ATOM 0 HE2 LYS A 128 17.150 -1.380 5.832 1.00 0.00 H new ATOM 0 HE3 LYS A 128 16.355 -1.663 7.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 15.417 -2.960 5.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 14.269 -2.039 6.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 14.862 -1.492 4.784 1.00 0.00 H new ATOM 264 N CYS A 129 16.474 3.784 6.968 1.00 0.00 N ATOM 265 CA CYS A 129 17.600 4.540 7.577 1.00 0.00 C ATOM 266 C CYS A 129 18.848 3.656 7.665 1.00 0.00 C ATOM 267 O CYS A 129 18.780 2.530 8.113 1.00 0.00 O ATOM 268 CB CYS A 129 17.104 4.913 8.970 1.00 0.00 C ATOM 269 SG CYS A 129 18.350 5.905 9.809 1.00 0.00 S ATOM 0 H CYS A 129 15.896 3.261 7.626 1.00 0.00 H new ATOM 0 HA CYS A 129 17.879 5.416 6.992 1.00 0.00 H new ATOM 0 HB2 CYS A 129 16.170 5.470 8.897 1.00 0.00 H new ATOM 0 HB3 CYS A 129 16.894 4.012 9.546 1.00 0.00 H new ATOM 0 HG CYS A 129 17.769 6.727 10.631 1.00 0.00 H new ATOM 274 N PRO A 130 19.951 4.198 7.223 1.00 0.00 N ATOM 275 CA PRO A 130 21.229 3.448 7.241 1.00 0.00 C ATOM 276 C PRO A 130 21.837 3.413 8.651 1.00 0.00 C ATOM 277 O PRO A 130 22.657 2.569 8.956 1.00 0.00 O ATOM 278 CB PRO A 130 22.120 4.243 6.292 1.00 0.00 C ATOM 279 CG PRO A 130 21.568 5.636 6.302 1.00 0.00 C ATOM 280 CD PRO A 130 20.107 5.546 6.667 1.00 0.00 C ATOM 0 HA PRO A 130 21.107 2.406 6.947 1.00 0.00 H new ATOM 0 HB2 PRO A 130 23.158 4.229 6.624 1.00 0.00 H new ATOM 0 HB3 PRO A 130 22.101 3.820 5.288 1.00 0.00 H new ATOM 0 HG2 PRO A 130 22.105 6.255 7.021 1.00 0.00 H new ATOM 0 HG3 PRO A 130 21.690 6.103 5.325 1.00 0.00 H new ATOM 0 HD2 PRO A 130 19.832 6.310 7.394 1.00 0.00 H new ATOM 0 HD3 PRO A 130 19.470 5.692 5.795 1.00 0.00 H new ATOM 288 N VAL A 131 21.458 4.322 9.510 1.00 0.00 N ATOM 289 CA VAL A 131 22.038 4.326 10.886 1.00 0.00 C ATOM 290 C VAL A 131 21.262 3.383 11.809 1.00 0.00 C ATOM 291 O VAL A 131 21.731 2.316 12.152 1.00 0.00 O ATOM 292 CB VAL A 131 21.932 5.776 11.365 1.00 0.00 C ATOM 293 CG1 VAL A 131 22.033 5.828 12.893 1.00 0.00 C ATOM 294 CG2 VAL A 131 23.077 6.590 10.756 1.00 0.00 C ATOM 0 H VAL A 131 20.777 5.057 9.321 1.00 0.00 H new ATOM 0 HA VAL A 131 23.070 3.975 10.892 1.00 0.00 H new ATOM 0 HB VAL A 131 20.973 6.191 11.054 1.00 0.00 H new ATOM 0 HG11 VAL A 131 21.957 6.863 13.228 1.00 0.00 H new ATOM 0 HG12 VAL A 131 21.223 5.244 13.331 1.00 0.00 H new ATOM 0 HG13 VAL A 131 22.991 5.414 13.209 1.00 0.00 H new ATOM 0 HG21 VAL A 131 23.008 7.624 11.093 1.00 0.00 H new ATOM 0 HG22 VAL A 131 24.031 6.169 11.072 1.00 0.00 H new ATOM 0 HG23 VAL A 131 23.008 6.557 9.669 1.00 0.00 H new ATOM 304 N CYS A 132 20.087 3.765 12.223 1.00 0.00 N ATOM 305 CA CYS A 132 19.306 2.878 13.134 1.00 0.00 C ATOM 306 C CYS A 132 18.515 1.836 12.328 1.00 0.00 C ATOM 307 O CYS A 132 17.617 1.193 12.833 1.00 0.00 O ATOM 308 CB CYS A 132 18.387 3.810 13.931 1.00 0.00 C ATOM 309 SG CYS A 132 16.997 4.345 12.912 1.00 0.00 S ATOM 0 H CYS A 132 19.635 4.645 11.974 1.00 0.00 H new ATOM 0 HA CYS A 132 19.949 2.307 13.803 1.00 0.00 H new ATOM 0 HB2 CYS A 132 18.019 3.296 14.819 1.00 0.00 H new ATOM 0 HB3 CYS A 132 18.949 4.678 14.275 1.00 0.00 H new ATOM 0 HG CYS A 132 17.444 4.876 11.813 1.00 0.00 H new ATOM 314 N SER A 133 18.872 1.652 11.081 1.00 0.00 N ATOM 315 CA SER A 133 18.188 0.637 10.219 1.00 0.00 C ATOM 316 C SER A 133 16.666 0.733 10.318 1.00 0.00 C ATOM 317 O SER A 133 15.965 -0.231 10.086 1.00 0.00 O ATOM 318 CB SER A 133 18.673 -0.722 10.728 1.00 0.00 C ATOM 319 OG SER A 133 18.745 -0.707 12.148 1.00 0.00 O ATOM 0 H SER A 133 19.619 2.169 10.617 1.00 0.00 H new ATOM 0 HA SER A 133 18.428 0.796 9.168 1.00 0.00 H new ATOM 0 HB2 SER A 133 17.994 -1.508 10.398 1.00 0.00 H new ATOM 0 HB3 SER A 133 19.653 -0.950 10.307 1.00 0.00 H new ATOM 0 HG SER A 133 17.922 -0.319 12.513 1.00 0.00 H new ATOM 325 N SER A 134 16.142 1.880 10.633 1.00 0.00 N ATOM 326 CA SER A 134 14.664 2.007 10.707 1.00 0.00 C ATOM 327 C SER A 134 14.108 2.194 9.294 1.00 0.00 C ATOM 328 O SER A 134 14.837 2.139 8.324 1.00 0.00 O ATOM 329 CB SER A 134 14.410 3.248 11.556 1.00 0.00 C ATOM 330 OG SER A 134 14.593 2.925 12.928 1.00 0.00 O ATOM 0 H SER A 134 16.668 2.729 10.841 1.00 0.00 H new ATOM 0 HA SER A 134 14.184 1.128 11.137 1.00 0.00 H new ATOM 0 HB2 SER A 134 15.091 4.047 11.265 1.00 0.00 H new ATOM 0 HB3 SER A 134 13.398 3.616 11.389 1.00 0.00 H new ATOM 0 HG SER A 134 15.408 3.357 13.260 1.00 0.00 H new ATOM 336 N THR A 135 12.831 2.418 9.161 1.00 0.00 N ATOM 337 CA THR A 135 12.262 2.608 7.797 1.00 0.00 C ATOM 338 C THR A 135 11.048 3.533 7.845 1.00 0.00 C ATOM 339 O THR A 135 10.510 3.819 8.897 1.00 0.00 O ATOM 340 CB THR A 135 11.850 1.212 7.329 1.00 0.00 C ATOM 341 OG1 THR A 135 12.827 0.266 7.744 1.00 0.00 O ATOM 342 CG2 THR A 135 11.738 1.202 5.804 1.00 0.00 C ATOM 0 H THR A 135 12.162 2.477 9.929 1.00 0.00 H new ATOM 0 HA THR A 135 12.983 3.067 7.120 1.00 0.00 H new ATOM 0 HB THR A 135 10.886 0.949 7.765 1.00 0.00 H new ATOM 0 HG1 THR A 135 12.563 -0.629 7.446 1.00 0.00 H new ATOM 0 HG21 THR A 135 11.444 0.208 5.467 1.00 0.00 H new ATOM 0 HG22 THR A 135 10.988 1.928 5.489 1.00 0.00 H new ATOM 0 HG23 THR A 135 12.702 1.463 5.367 1.00 0.00 H new ATOM 350 N PHE A 136 10.613 4.005 6.710 1.00 0.00 N ATOM 351 CA PHE A 136 9.434 4.914 6.682 1.00 0.00 C ATOM 352 C PHE A 136 8.643 4.716 5.386 1.00 0.00 C ATOM 353 O PHE A 136 9.087 4.054 4.469 1.00 0.00 O ATOM 354 CB PHE A 136 10.021 6.323 6.741 1.00 0.00 C ATOM 355 CG PHE A 136 11.023 6.412 7.866 1.00 0.00 C ATOM 356 CD1 PHE A 136 10.586 6.647 9.175 1.00 0.00 C ATOM 357 CD2 PHE A 136 12.391 6.262 7.602 1.00 0.00 C ATOM 358 CE1 PHE A 136 11.514 6.733 10.220 1.00 0.00 C ATOM 359 CE2 PHE A 136 13.318 6.348 8.646 1.00 0.00 C ATOM 360 CZ PHE A 136 12.879 6.583 9.954 1.00 0.00 C ATOM 0 H PHE A 136 11.024 3.800 5.799 1.00 0.00 H new ATOM 0 HA PHE A 136 8.746 4.723 7.505 1.00 0.00 H new ATOM 0 HB2 PHE A 136 10.502 6.567 5.793 1.00 0.00 H new ATOM 0 HB3 PHE A 136 9.225 7.052 6.892 1.00 0.00 H new ATOM 0 HD1 PHE A 136 9.532 6.762 9.379 1.00 0.00 H new ATOM 0 HD2 PHE A 136 12.730 6.080 6.593 1.00 0.00 H new ATOM 0 HE1 PHE A 136 11.176 6.915 11.230 1.00 0.00 H new ATOM 0 HE2 PHE A 136 14.372 6.233 8.443 1.00 0.00 H new ATOM 0 HZ PHE A 136 13.596 6.649 10.759 1.00 0.00 H new ATOM 370 N THR A 137 7.473 5.288 5.305 1.00 0.00 N ATOM 371 CA THR A 137 6.648 5.141 4.070 1.00 0.00 C ATOM 372 C THR A 137 6.175 6.517 3.590 1.00 0.00 C ATOM 373 O THR A 137 6.758 7.531 3.922 1.00 0.00 O ATOM 374 CB THR A 137 5.456 4.274 4.488 1.00 0.00 C ATOM 375 OG1 THR A 137 5.366 4.246 5.906 1.00 0.00 O ATOM 376 CG2 THR A 137 5.647 2.852 3.959 1.00 0.00 C ATOM 0 H THR A 137 7.051 5.852 6.042 1.00 0.00 H new ATOM 0 HA THR A 137 7.205 4.691 3.248 1.00 0.00 H new ATOM 0 HB THR A 137 4.539 4.693 4.074 1.00 0.00 H new ATOM 0 HG1 THR A 137 4.603 3.693 6.174 1.00 0.00 H new ATOM 0 HG21 THR A 137 4.799 2.236 4.257 1.00 0.00 H new ATOM 0 HG22 THR A 137 5.715 2.874 2.871 1.00 0.00 H new ATOM 0 HG23 THR A 137 6.564 2.431 4.371 1.00 0.00 H new ATOM 384 N ASP A 138 5.125 6.565 2.815 1.00 0.00 N ATOM 385 CA ASP A 138 4.627 7.882 2.325 1.00 0.00 C ATOM 386 C ASP A 138 4.120 8.716 3.501 1.00 0.00 C ATOM 387 O ASP A 138 4.385 9.898 3.599 1.00 0.00 O ATOM 388 CB ASP A 138 3.482 7.544 1.369 1.00 0.00 C ATOM 389 CG ASP A 138 2.506 6.587 2.056 1.00 0.00 C ATOM 390 OD1 ASP A 138 2.920 5.486 2.385 1.00 0.00 O ATOM 391 OD2 ASP A 138 1.363 6.970 2.243 1.00 0.00 O ATOM 0 H ASP A 138 4.593 5.753 2.501 1.00 0.00 H new ATOM 0 HA ASP A 138 5.405 8.464 1.832 1.00 0.00 H new ATOM 0 HB2 ASP A 138 2.964 8.455 1.070 1.00 0.00 H new ATOM 0 HB3 ASP A 138 3.876 7.088 0.461 1.00 0.00 H new ATOM 396 N LEU A 139 3.401 8.106 4.403 1.00 0.00 N ATOM 397 CA LEU A 139 2.889 8.861 5.579 1.00 0.00 C ATOM 398 C LEU A 139 4.058 9.514 6.314 1.00 0.00 C ATOM 399 O LEU A 139 3.983 10.648 6.746 1.00 0.00 O ATOM 400 CB LEU A 139 2.221 7.810 6.464 1.00 0.00 C ATOM 401 CG LEU A 139 0.739 7.716 6.112 1.00 0.00 C ATOM 402 CD1 LEU A 139 0.048 6.748 7.074 1.00 0.00 C ATOM 403 CD2 LEU A 139 0.101 9.102 6.237 1.00 0.00 C ATOM 0 H LEU A 139 3.147 7.119 4.376 1.00 0.00 H new ATOM 0 HA LEU A 139 2.195 9.654 5.300 1.00 0.00 H new ATOM 0 HB2 LEU A 139 2.701 6.842 6.323 1.00 0.00 H new ATOM 0 HB3 LEU A 139 2.340 8.075 7.515 1.00 0.00 H new ATOM 0 HG LEU A 139 0.628 7.353 5.090 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -1.011 6.680 6.824 1.00 0.00 H new ATOM 0 HD12 LEU A 139 0.505 5.762 6.989 1.00 0.00 H new ATOM 0 HD13 LEU A 139 0.157 7.111 8.096 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -0.958 9.039 5.986 1.00 0.00 H new ATOM 0 HD22 LEU A 139 0.211 9.462 7.260 1.00 0.00 H new ATOM 0 HD23 LEU A 139 0.595 9.793 5.554 1.00 0.00 H new ATOM 415 N GLU A 140 5.141 8.802 6.451 1.00 0.00 N ATOM 416 CA GLU A 140 6.327 9.367 7.149 1.00 0.00 C ATOM 417 C GLU A 140 7.159 10.199 6.169 1.00 0.00 C ATOM 418 O GLU A 140 8.016 10.962 6.561 1.00 0.00 O ATOM 419 CB GLU A 140 7.121 8.150 7.618 1.00 0.00 C ATOM 420 CG GLU A 140 6.210 7.228 8.430 1.00 0.00 C ATOM 421 CD GLU A 140 7.044 6.471 9.464 1.00 0.00 C ATOM 422 OE1 GLU A 140 7.583 7.116 10.348 1.00 0.00 O ATOM 423 OE2 GLU A 140 7.127 5.259 9.355 1.00 0.00 O ATOM 0 H GLU A 140 5.255 7.848 6.108 1.00 0.00 H new ATOM 0 HA GLU A 140 6.052 10.021 7.977 1.00 0.00 H new ATOM 0 HB2 GLU A 140 7.526 7.614 6.760 1.00 0.00 H new ATOM 0 HB3 GLU A 140 7.969 8.468 8.225 1.00 0.00 H new ATOM 0 HG2 GLU A 140 5.435 7.811 8.928 1.00 0.00 H new ATOM 0 HG3 GLU A 140 5.704 6.524 7.769 1.00 0.00 H new ATOM 430 N ALA A 141 6.912 10.052 4.897 1.00 0.00 N ATOM 431 CA ALA A 141 7.690 10.827 3.889 1.00 0.00 C ATOM 432 C ALA A 141 7.285 12.303 3.923 1.00 0.00 C ATOM 433 O ALA A 141 8.121 13.185 3.955 1.00 0.00 O ATOM 434 CB ALA A 141 7.326 10.202 2.542 1.00 0.00 C ATOM 0 H ALA A 141 6.204 9.428 4.511 1.00 0.00 H new ATOM 0 HA ALA A 141 8.762 10.790 4.080 1.00 0.00 H new ATOM 0 HB1 ALA A 141 7.860 10.719 1.745 1.00 0.00 H new ATOM 0 HB2 ALA A 141 7.606 9.148 2.542 1.00 0.00 H new ATOM 0 HB3 ALA A 141 6.252 10.292 2.377 1.00 0.00 H new ATOM 440 N ASN A 142 6.010 12.580 3.910 1.00 0.00 N ATOM 441 CA ASN A 142 5.557 14.000 3.938 1.00 0.00 C ATOM 442 C ASN A 142 5.919 14.649 5.277 1.00 0.00 C ATOM 443 O ASN A 142 5.870 15.854 5.424 1.00 0.00 O ATOM 444 CB ASN A 142 4.038 13.935 3.764 1.00 0.00 C ATOM 445 CG ASN A 142 3.402 13.356 5.030 1.00 0.00 C ATOM 446 OD1 ASN A 142 3.491 13.940 6.091 1.00 0.00 O ATOM 447 ND2 ASN A 142 2.759 12.223 4.961 1.00 0.00 N ATOM 0 H ASN A 142 5.263 11.886 3.881 1.00 0.00 H new ATOM 0 HA ASN A 142 6.031 14.599 3.160 1.00 0.00 H new ATOM 0 HB2 ASN A 142 3.641 14.931 3.568 1.00 0.00 H new ATOM 0 HB3 ASN A 142 3.786 13.316 2.903 1.00 0.00 H new ATOM 0 HD21 ASN A 142 2.331 11.828 5.798 1.00 0.00 H new ATOM 0 HD22 ASN A 142 2.684 11.732 4.070 1.00 0.00 H new ATOM 454 N GLN A 143 6.281 13.863 6.254 1.00 0.00 N ATOM 455 CA GLN A 143 6.639 14.446 7.579 1.00 0.00 C ATOM 456 C GLN A 143 8.151 14.347 7.819 1.00 0.00 C ATOM 457 O GLN A 143 8.730 15.156 8.516 1.00 0.00 O ATOM 458 CB GLN A 143 5.866 13.611 8.603 1.00 0.00 C ATOM 459 CG GLN A 143 6.549 12.255 8.783 1.00 0.00 C ATOM 460 CD GLN A 143 5.779 11.430 9.815 1.00 0.00 C ATOM 461 OE1 GLN A 143 4.623 11.693 10.080 1.00 0.00 O ATOM 462 NE2 GLN A 143 6.375 10.436 10.414 1.00 0.00 N ATOM 0 H GLN A 143 6.344 12.847 6.193 1.00 0.00 H new ATOM 0 HA GLN A 143 6.385 15.504 7.646 1.00 0.00 H new ATOM 0 HB2 GLN A 143 5.823 14.137 9.557 1.00 0.00 H new ATOM 0 HB3 GLN A 143 4.838 13.470 8.270 1.00 0.00 H new ATOM 0 HG2 GLN A 143 6.585 11.725 7.831 1.00 0.00 H new ATOM 0 HG3 GLN A 143 7.580 12.395 9.109 1.00 0.00 H new ATOM 0 HE21 GLN A 143 7.346 10.215 10.192 1.00 0.00 H new ATOM 0 HE22 GLN A 143 5.870 9.880 11.104 1.00 0.00 H new ATOM 471 N LEU A 144 8.799 13.365 7.247 1.00 0.00 N ATOM 472 CA LEU A 144 10.274 13.234 7.448 1.00 0.00 C ATOM 473 C LEU A 144 11.024 14.054 6.396 1.00 0.00 C ATOM 474 O LEU A 144 12.169 14.415 6.577 1.00 0.00 O ATOM 475 CB LEU A 144 10.578 11.744 7.280 1.00 0.00 C ATOM 476 CG LEU A 144 10.148 10.992 8.540 1.00 0.00 C ATOM 477 CD1 LEU A 144 10.522 9.514 8.406 1.00 0.00 C ATOM 478 CD2 LEU A 144 10.862 11.587 9.754 1.00 0.00 C ATOM 0 H LEU A 144 8.375 12.652 6.653 1.00 0.00 H new ATOM 0 HA LEU A 144 10.587 13.601 8.425 1.00 0.00 H new ATOM 0 HB2 LEU A 144 10.051 11.350 6.411 1.00 0.00 H new ATOM 0 HB3 LEU A 144 11.643 11.597 7.101 1.00 0.00 H new ATOM 0 HG LEU A 144 9.069 11.084 8.668 1.00 0.00 H new ATOM 0 HD11 LEU A 144 10.215 8.978 9.304 1.00 0.00 H new ATOM 0 HD12 LEU A 144 10.017 9.088 7.539 1.00 0.00 H new ATOM 0 HD13 LEU A 144 11.601 9.422 8.279 1.00 0.00 H new ATOM 0 HD21 LEU A 144 10.557 11.052 10.654 1.00 0.00 H new ATOM 0 HD22 LEU A 144 11.940 11.493 9.624 1.00 0.00 H new ATOM 0 HD23 LEU A 144 10.599 12.640 9.851 1.00 0.00 H new ATOM 490 N PHE A 145 10.386 14.349 5.296 1.00 0.00 N ATOM 491 CA PHE A 145 11.064 15.144 4.234 1.00 0.00 C ATOM 492 C PHE A 145 11.583 16.465 4.810 1.00 0.00 C ATOM 493 O PHE A 145 10.976 17.058 5.678 1.00 0.00 O ATOM 494 CB PHE A 145 9.986 15.404 3.182 1.00 0.00 C ATOM 495 CG PHE A 145 10.634 15.915 1.917 1.00 0.00 C ATOM 496 CD1 PHE A 145 11.523 15.102 1.207 1.00 0.00 C ATOM 497 CD2 PHE A 145 10.344 17.205 1.455 1.00 0.00 C ATOM 498 CE1 PHE A 145 12.124 15.576 0.036 1.00 0.00 C ATOM 499 CE2 PHE A 145 10.945 17.679 0.284 1.00 0.00 C ATOM 500 CZ PHE A 145 11.835 16.865 -0.426 1.00 0.00 C ATOM 0 H PHE A 145 9.426 14.074 5.087 1.00 0.00 H new ATOM 0 HA PHE A 145 11.924 14.622 3.815 1.00 0.00 H new ATOM 0 HB2 PHE A 145 9.434 14.487 2.976 1.00 0.00 H new ATOM 0 HB3 PHE A 145 9.266 16.132 3.555 1.00 0.00 H new ATOM 0 HD1 PHE A 145 11.746 14.107 1.563 1.00 0.00 H new ATOM 0 HD2 PHE A 145 9.657 17.833 2.002 1.00 0.00 H new ATOM 0 HE1 PHE A 145 12.811 14.947 -0.511 1.00 0.00 H new ATOM 0 HE2 PHE A 145 10.722 18.674 -0.072 1.00 0.00 H new ATOM 0 HZ PHE A 145 12.299 17.231 -1.330 1.00 0.00 H new ATOM 510 N ASP A 146 12.705 16.928 4.330 1.00 0.00 N ATOM 511 CA ASP A 146 13.266 18.209 4.847 1.00 0.00 C ATOM 512 C ASP A 146 13.565 19.159 3.683 1.00 0.00 C ATOM 513 O ASP A 146 14.176 18.772 2.708 1.00 0.00 O ATOM 514 CB ASP A 146 14.557 17.811 5.565 1.00 0.00 C ATOM 515 CG ASP A 146 14.225 17.294 6.965 1.00 0.00 C ATOM 516 OD1 ASP A 146 13.536 16.292 7.058 1.00 0.00 O ATOM 517 OD2 ASP A 146 14.665 17.911 7.921 1.00 0.00 O ATOM 0 H ASP A 146 13.258 16.475 3.602 1.00 0.00 H new ATOM 0 HA ASP A 146 12.576 18.729 5.511 1.00 0.00 H new ATOM 0 HB2 ASP A 146 15.079 17.042 4.996 1.00 0.00 H new ATOM 0 HB3 ASP A 146 15.227 18.668 5.632 1.00 0.00 H new ATOM 522 N PRO A 147 13.117 20.377 3.828 1.00 0.00 N ATOM 523 CA PRO A 147 13.333 21.397 2.775 1.00 0.00 C ATOM 524 C PRO A 147 14.774 21.915 2.816 1.00 0.00 C ATOM 525 O PRO A 147 15.285 22.427 1.841 1.00 0.00 O ATOM 526 CB PRO A 147 12.351 22.505 3.144 1.00 0.00 C ATOM 527 CG PRO A 147 12.124 22.356 4.616 1.00 0.00 C ATOM 528 CD PRO A 147 12.372 20.911 4.973 1.00 0.00 C ATOM 0 HA PRO A 147 13.177 21.010 1.768 1.00 0.00 H new ATOM 0 HB2 PRO A 147 12.759 23.487 2.906 1.00 0.00 H new ATOM 0 HB3 PRO A 147 11.418 22.404 2.590 1.00 0.00 H new ATOM 0 HG2 PRO A 147 12.795 23.009 5.175 1.00 0.00 H new ATOM 0 HG3 PRO A 147 11.106 22.646 4.878 1.00 0.00 H new ATOM 0 HD2 PRO A 147 12.944 20.822 5.896 1.00 0.00 H new ATOM 0 HD3 PRO A 147 11.436 20.373 5.125 1.00 0.00 H new ATOM 536 N MET A 148 15.432 21.787 3.936 1.00 0.00 N ATOM 537 CA MET A 148 16.837 22.274 4.032 1.00 0.00 C ATOM 538 C MET A 148 17.765 21.391 3.193 1.00 0.00 C ATOM 539 O MET A 148 18.744 21.850 2.642 1.00 0.00 O ATOM 540 CB MET A 148 17.192 22.165 5.515 1.00 0.00 C ATOM 541 CG MET A 148 17.236 20.691 5.919 1.00 0.00 C ATOM 542 SD MET A 148 17.757 20.552 7.647 1.00 0.00 S ATOM 543 CE MET A 148 16.252 21.227 8.390 1.00 0.00 C ATOM 0 H MET A 148 15.058 21.367 4.787 1.00 0.00 H new ATOM 0 HA MET A 148 16.946 23.292 3.658 1.00 0.00 H new ATOM 0 HB2 MET A 148 18.157 22.635 5.705 1.00 0.00 H new ATOM 0 HB3 MET A 148 16.455 22.697 6.117 1.00 0.00 H new ATOM 0 HG2 MET A 148 16.254 20.238 5.787 1.00 0.00 H new ATOM 0 HG3 MET A 148 17.927 20.147 5.275 1.00 0.00 H new ATOM 0 HE1 MET A 148 16.011 20.669 9.295 1.00 0.00 H new ATOM 0 HE2 MET A 148 16.409 22.276 8.641 1.00 0.00 H new ATOM 0 HE3 MET A 148 15.427 21.143 7.682 1.00 0.00 H new ATOM 553 N THR A 149 17.464 20.123 3.094 1.00 0.00 N ATOM 554 CA THR A 149 18.331 19.212 2.291 1.00 0.00 C ATOM 555 C THR A 149 17.544 18.624 1.117 1.00 0.00 C ATOM 556 O THR A 149 18.109 18.080 0.188 1.00 0.00 O ATOM 557 CB THR A 149 18.750 18.109 3.266 1.00 0.00 C ATOM 558 OG1 THR A 149 19.304 17.022 2.538 1.00 0.00 O ATOM 559 CG2 THR A 149 17.528 17.629 4.053 1.00 0.00 C ATOM 0 H THR A 149 16.657 19.680 3.533 1.00 0.00 H new ATOM 0 HA THR A 149 19.190 19.729 1.864 1.00 0.00 H new ATOM 0 HB THR A 149 19.495 18.500 3.959 1.00 0.00 H new ATOM 0 HG1 THR A 149 18.675 16.270 2.544 1.00 0.00 H new ATOM 0 HG21 THR A 149 17.828 16.844 4.747 1.00 0.00 H new ATOM 0 HG22 THR A 149 17.104 18.464 4.611 1.00 0.00 H new ATOM 0 HG23 THR A 149 16.781 17.237 3.362 1.00 0.00 H new ATOM 567 N GLY A 150 16.244 18.731 1.150 1.00 0.00 N ATOM 568 CA GLY A 150 15.421 18.180 0.035 1.00 0.00 C ATOM 569 C GLY A 150 15.403 16.653 0.112 1.00 0.00 C ATOM 570 O GLY A 150 15.421 15.971 -0.893 1.00 0.00 O ATOM 0 H GLY A 150 15.716 19.176 1.901 1.00 0.00 H new ATOM 0 HA2 GLY A 150 14.404 18.569 0.094 1.00 0.00 H new ATOM 0 HA3 GLY A 150 15.829 18.500 -0.924 1.00 0.00 H new ATOM 574 N THR A 151 15.362 16.110 1.298 1.00 0.00 N ATOM 575 CA THR A 151 15.338 14.624 1.439 1.00 0.00 C ATOM 576 C THR A 151 14.562 14.229 2.698 1.00 0.00 C ATOM 577 O THR A 151 14.094 15.070 3.437 1.00 0.00 O ATOM 578 CB THR A 151 16.806 14.204 1.563 1.00 0.00 C ATOM 579 OG1 THR A 151 17.635 15.359 1.577 1.00 0.00 O ATOM 580 CG2 THR A 151 17.186 13.315 0.379 1.00 0.00 C ATOM 0 H THR A 151 15.344 16.630 2.176 1.00 0.00 H new ATOM 0 HA THR A 151 14.849 14.140 0.593 1.00 0.00 H new ATOM 0 HB THR A 151 16.945 13.650 2.491 1.00 0.00 H new ATOM 0 HG1 THR A 151 18.507 15.140 1.187 1.00 0.00 H new ATOM 0 HG21 THR A 151 18.231 13.017 0.468 1.00 0.00 H new ATOM 0 HG22 THR A 151 16.554 12.427 0.374 1.00 0.00 H new ATOM 0 HG23 THR A 151 17.044 13.867 -0.550 1.00 0.00 H new ATOM 588 N PHE A 152 14.426 12.955 2.950 1.00 0.00 N ATOM 589 CA PHE A 152 13.683 12.516 4.165 1.00 0.00 C ATOM 590 C PHE A 152 14.666 12.207 5.293 1.00 0.00 C ATOM 591 O PHE A 152 15.616 11.470 5.117 1.00 0.00 O ATOM 592 CB PHE A 152 12.932 11.255 3.741 1.00 0.00 C ATOM 593 CG PHE A 152 12.040 11.573 2.564 1.00 0.00 C ATOM 594 CD1 PHE A 152 12.573 11.608 1.270 1.00 0.00 C ATOM 595 CD2 PHE A 152 10.680 11.833 2.767 1.00 0.00 C ATOM 596 CE1 PHE A 152 11.746 11.906 0.179 1.00 0.00 C ATOM 597 CE2 PHE A 152 9.852 12.130 1.677 1.00 0.00 C ATOM 598 CZ PHE A 152 10.385 12.166 0.382 1.00 0.00 C ATOM 0 H PHE A 152 14.796 12.202 2.369 1.00 0.00 H new ATOM 0 HA PHE A 152 13.003 13.283 4.536 1.00 0.00 H new ATOM 0 HB2 PHE A 152 13.639 10.470 3.473 1.00 0.00 H new ATOM 0 HB3 PHE A 152 12.336 10.877 4.572 1.00 0.00 H new ATOM 0 HD1 PHE A 152 13.622 11.405 1.113 1.00 0.00 H new ATOM 0 HD2 PHE A 152 10.268 11.805 3.765 1.00 0.00 H new ATOM 0 HE1 PHE A 152 12.158 11.935 -0.819 1.00 0.00 H new ATOM 0 HE2 PHE A 152 8.803 12.331 1.835 1.00 0.00 H new ATOM 0 HZ PHE A 152 9.747 12.394 -0.459 1.00 0.00 H new ATOM 608 N ARG A 153 14.453 12.768 6.449 1.00 0.00 N ATOM 609 CA ARG A 153 15.384 12.505 7.582 1.00 0.00 C ATOM 610 C ARG A 153 14.722 11.592 8.615 1.00 0.00 C ATOM 611 O ARG A 153 13.550 11.711 8.909 1.00 0.00 O ATOM 612 CB ARG A 153 15.680 13.878 8.183 1.00 0.00 C ATOM 613 CG ARG A 153 16.875 14.499 7.458 1.00 0.00 C ATOM 614 CD ARG A 153 17.894 15.003 8.480 1.00 0.00 C ATOM 615 NE ARG A 153 18.119 16.430 8.122 1.00 0.00 N ATOM 616 CZ ARG A 153 18.250 17.326 9.062 1.00 0.00 C ATOM 617 NH1 ARG A 153 19.431 17.587 9.553 1.00 0.00 N ATOM 618 NH2 ARG A 153 17.201 17.960 9.509 1.00 0.00 N ATOM 0 H ARG A 153 13.677 13.396 6.659 1.00 0.00 H new ATOM 0 HA ARG A 153 16.294 12.001 7.257 1.00 0.00 H new ATOM 0 HB2 ARG A 153 14.807 14.524 8.090 1.00 0.00 H new ATOM 0 HB3 ARG A 153 15.895 13.783 9.247 1.00 0.00 H new ATOM 0 HG2 ARG A 153 17.338 13.762 6.802 1.00 0.00 H new ATOM 0 HG3 ARG A 153 16.541 15.322 6.826 1.00 0.00 H new ATOM 0 HD2 ARG A 153 17.515 14.906 9.497 1.00 0.00 H new ATOM 0 HD3 ARG A 153 18.821 14.432 8.429 1.00 0.00 H new ATOM 0 HE ARG A 153 18.171 16.708 7.142 1.00 0.00 H new ATOM 0 HH11 ARG A 153 20.250 17.091 9.202 1.00 0.00 H new ATOM 0 HH12 ARG A 153 19.535 18.287 10.288 1.00 0.00 H new ATOM 0 HH21 ARG A 153 16.279 17.755 9.124 1.00 0.00 H new ATOM 0 HH22 ARG A 153 17.303 18.660 10.244 1.00 0.00 H new ATOM 632 N CYS A 154 15.475 10.684 9.169 1.00 0.00 N ATOM 633 CA CYS A 154 14.912 9.755 10.190 1.00 0.00 C ATOM 634 C CYS A 154 14.064 10.534 11.201 1.00 0.00 C ATOM 635 O CYS A 154 14.024 11.748 11.188 1.00 0.00 O ATOM 636 CB CYS A 154 16.141 9.159 10.867 1.00 0.00 C ATOM 637 SG CYS A 154 15.685 7.676 11.788 1.00 0.00 S ATOM 0 H CYS A 154 16.463 10.544 8.958 1.00 0.00 H new ATOM 0 HA CYS A 154 14.263 8.993 9.759 1.00 0.00 H new ATOM 0 HB2 CYS A 154 16.895 8.914 10.119 1.00 0.00 H new ATOM 0 HB3 CYS A 154 16.586 9.892 11.540 1.00 0.00 H new ATOM 0 HG CYS A 154 14.860 7.994 12.741 1.00 0.00 H new ATOM 642 N THR A 155 13.383 9.847 12.078 1.00 0.00 N ATOM 643 CA THR A 155 12.541 10.559 13.082 1.00 0.00 C ATOM 644 C THR A 155 13.037 10.269 14.502 1.00 0.00 C ATOM 645 O THR A 155 12.690 10.958 15.440 1.00 0.00 O ATOM 646 CB THR A 155 11.125 10.012 12.885 1.00 0.00 C ATOM 647 OG1 THR A 155 11.077 9.220 11.706 1.00 0.00 O ATOM 648 CG2 THR A 155 10.144 11.177 12.760 1.00 0.00 C ATOM 0 H THR A 155 13.373 8.829 12.143 1.00 0.00 H new ATOM 0 HA THR A 155 12.580 11.640 12.950 1.00 0.00 H new ATOM 0 HB THR A 155 10.852 9.396 13.742 1.00 0.00 H new ATOM 0 HG1 THR A 155 11.501 8.353 11.877 1.00 0.00 H new ATOM 0 HG21 THR A 155 9.135 10.789 12.620 1.00 0.00 H new ATOM 0 HG22 THR A 155 10.178 11.780 13.667 1.00 0.00 H new ATOM 0 HG23 THR A 155 10.418 11.793 11.904 1.00 0.00 H new ATOM 656 N PHE A 156 13.849 9.260 14.671 1.00 0.00 N ATOM 657 CA PHE A 156 14.361 8.945 16.036 1.00 0.00 C ATOM 658 C PHE A 156 15.872 9.168 16.094 1.00 0.00 C ATOM 659 O PHE A 156 16.403 9.635 17.081 1.00 0.00 O ATOM 660 CB PHE A 156 14.019 7.473 16.326 1.00 0.00 C ATOM 661 CG PHE A 156 13.422 6.793 15.113 1.00 0.00 C ATOM 662 CD1 PHE A 156 14.246 6.408 14.051 1.00 0.00 C ATOM 663 CD2 PHE A 156 12.044 6.554 15.052 1.00 0.00 C ATOM 664 CE1 PHE A 156 13.693 5.785 12.928 1.00 0.00 C ATOM 665 CE2 PHE A 156 11.491 5.929 13.929 1.00 0.00 C ATOM 666 CZ PHE A 156 12.315 5.544 12.866 1.00 0.00 C ATOM 0 H PHE A 156 14.178 8.644 13.928 1.00 0.00 H new ATOM 0 HA PHE A 156 13.903 9.594 16.782 1.00 0.00 H new ATOM 0 HB2 PHE A 156 14.920 6.943 16.635 1.00 0.00 H new ATOM 0 HB3 PHE A 156 13.316 7.419 17.158 1.00 0.00 H new ATOM 0 HD1 PHE A 156 15.309 6.592 14.098 1.00 0.00 H new ATOM 0 HD2 PHE A 156 11.408 6.852 15.872 1.00 0.00 H new ATOM 0 HE1 PHE A 156 14.330 5.489 12.107 1.00 0.00 H new ATOM 0 HE2 PHE A 156 10.428 5.744 13.883 1.00 0.00 H new ATOM 0 HZ PHE A 156 11.889 5.062 11.999 1.00 0.00 H new ATOM 676 N CYS A 157 16.568 8.852 15.039 1.00 0.00 N ATOM 677 CA CYS A 157 18.042 9.062 15.036 1.00 0.00 C ATOM 678 C CYS A 157 18.407 10.089 13.945 1.00 0.00 C ATOM 679 O CYS A 157 19.537 10.193 13.512 1.00 0.00 O ATOM 680 CB CYS A 157 18.637 7.658 14.807 1.00 0.00 C ATOM 681 SG CYS A 157 19.200 7.429 13.101 1.00 0.00 S ATOM 0 H CYS A 157 16.182 8.459 14.181 1.00 0.00 H new ATOM 0 HA CYS A 157 18.440 9.480 15.961 1.00 0.00 H new ATOM 0 HB2 CYS A 157 19.473 7.503 15.489 1.00 0.00 H new ATOM 0 HB3 CYS A 157 17.888 6.903 15.046 1.00 0.00 H new ATOM 0 HG CYS A 157 18.636 6.372 12.596 1.00 0.00 H new ATOM 686 N HIS A 158 17.432 10.859 13.532 1.00 0.00 N ATOM 687 CA HIS A 158 17.638 11.924 12.498 1.00 0.00 C ATOM 688 C HIS A 158 18.719 11.569 11.470 1.00 0.00 C ATOM 689 O HIS A 158 19.386 12.440 10.949 1.00 0.00 O ATOM 690 CB HIS A 158 18.051 13.163 13.290 1.00 0.00 C ATOM 691 CG HIS A 158 16.843 13.736 13.977 1.00 0.00 C ATOM 692 ND1 HIS A 158 16.173 14.847 13.489 1.00 0.00 N ATOM 693 CD2 HIS A 158 16.169 13.357 15.110 1.00 0.00 C ATOM 694 CE1 HIS A 158 15.143 15.094 14.318 1.00 0.00 C ATOM 695 NE2 HIS A 158 15.095 14.216 15.324 1.00 0.00 N ATOM 0 H HIS A 158 16.475 10.793 13.877 1.00 0.00 H new ATOM 0 HA HIS A 158 16.729 12.066 11.914 1.00 0.00 H new ATOM 0 HB2 HIS A 158 18.813 12.902 14.025 1.00 0.00 H new ATOM 0 HB3 HIS A 158 18.491 13.905 12.624 1.00 0.00 H new ATOM 0 HD2 HIS A 158 16.432 12.520 15.740 1.00 0.00 H new ATOM 0 HE1 HIS A 158 14.440 15.904 14.186 1.00 0.00 H new ATOM 0 HE2 HIS A 158 14.417 14.182 16.085 1.00 0.00 H new ATOM 703 N THR A 159 18.889 10.320 11.144 1.00 0.00 N ATOM 704 CA THR A 159 19.914 9.969 10.122 1.00 0.00 C ATOM 705 C THR A 159 19.283 10.014 8.728 1.00 0.00 C ATOM 706 O THR A 159 18.232 9.452 8.497 1.00 0.00 O ATOM 707 CB THR A 159 20.356 8.547 10.464 1.00 0.00 C ATOM 708 OG1 THR A 159 21.187 8.578 11.615 1.00 0.00 O ATOM 709 CG2 THR A 159 21.132 7.945 9.285 1.00 0.00 C ATOM 0 H THR A 159 18.370 9.534 11.535 1.00 0.00 H new ATOM 0 HA THR A 159 20.757 10.660 10.123 1.00 0.00 H new ATOM 0 HB THR A 159 19.478 7.933 10.663 1.00 0.00 H new ATOM 0 HG1 THR A 159 20.682 8.258 12.392 1.00 0.00 H new ATOM 0 HG21 THR A 159 21.445 6.931 9.535 1.00 0.00 H new ATOM 0 HG22 THR A 159 20.492 7.921 8.403 1.00 0.00 H new ATOM 0 HG23 THR A 159 22.011 8.555 9.079 1.00 0.00 H new ATOM 717 N GLU A 160 19.917 10.669 7.796 1.00 0.00 N ATOM 718 CA GLU A 160 19.349 10.735 6.419 1.00 0.00 C ATOM 719 C GLU A 160 18.958 9.332 5.945 1.00 0.00 C ATOM 720 O GLU A 160 19.754 8.414 5.969 1.00 0.00 O ATOM 721 CB GLU A 160 20.474 11.299 5.552 1.00 0.00 C ATOM 722 CG GLU A 160 20.020 12.614 4.919 1.00 0.00 C ATOM 723 CD GLU A 160 20.439 12.644 3.449 1.00 0.00 C ATOM 724 OE1 GLU A 160 21.617 12.832 3.193 1.00 0.00 O ATOM 725 OE2 GLU A 160 19.576 12.477 2.604 1.00 0.00 O ATOM 0 H GLU A 160 20.801 11.160 7.927 1.00 0.00 H new ATOM 0 HA GLU A 160 18.451 11.351 6.370 1.00 0.00 H new ATOM 0 HB2 GLU A 160 21.366 11.463 6.157 1.00 0.00 H new ATOM 0 HB3 GLU A 160 20.743 10.583 4.775 1.00 0.00 H new ATOM 0 HG2 GLU A 160 18.938 12.715 5.002 1.00 0.00 H new ATOM 0 HG3 GLU A 160 20.461 13.457 5.451 1.00 0.00 H new ATOM 732 N VAL A 161 17.737 9.158 5.518 1.00 0.00 N ATOM 733 CA VAL A 161 17.296 7.814 5.048 1.00 0.00 C ATOM 734 C VAL A 161 17.433 7.706 3.526 1.00 0.00 C ATOM 735 O VAL A 161 17.774 8.659 2.853 1.00 0.00 O ATOM 736 CB VAL A 161 15.826 7.717 5.455 1.00 0.00 C ATOM 737 CG1 VAL A 161 15.686 8.019 6.946 1.00 0.00 C ATOM 738 CG2 VAL A 161 15.011 8.734 4.654 1.00 0.00 C ATOM 0 H VAL A 161 17.026 9.888 5.474 1.00 0.00 H new ATOM 0 HA VAL A 161 17.898 7.013 5.478 1.00 0.00 H new ATOM 0 HB VAL A 161 15.459 6.711 5.253 1.00 0.00 H new ATOM 0 HG11 VAL A 161 14.637 7.949 7.234 1.00 0.00 H new ATOM 0 HG12 VAL A 161 16.269 7.298 7.520 1.00 0.00 H new ATOM 0 HG13 VAL A 161 16.052 9.025 7.149 1.00 0.00 H new ATOM 0 HG21 VAL A 161 13.962 8.667 4.942 1.00 0.00 H new ATOM 0 HG22 VAL A 161 15.380 9.739 4.859 1.00 0.00 H new ATOM 0 HG23 VAL A 161 15.109 8.522 3.589 1.00 0.00 H new ATOM 748 N GLU A 162 17.168 6.551 2.981 1.00 0.00 N ATOM 749 CA GLU A 162 17.275 6.375 1.505 1.00 0.00 C ATOM 750 C GLU A 162 16.202 5.400 1.016 1.00 0.00 C ATOM 751 O GLU A 162 15.724 4.566 1.759 1.00 0.00 O ATOM 752 CB GLU A 162 18.672 5.796 1.275 1.00 0.00 C ATOM 753 CG GLU A 162 19.701 6.928 1.283 1.00 0.00 C ATOM 754 CD GLU A 162 20.898 6.541 0.411 1.00 0.00 C ATOM 755 OE1 GLU A 162 20.817 6.734 -0.791 1.00 0.00 O ATOM 756 OE2 GLU A 162 21.875 6.060 0.960 1.00 0.00 O ATOM 0 H GLU A 162 16.881 5.719 3.496 1.00 0.00 H new ATOM 0 HA GLU A 162 17.129 7.309 0.963 1.00 0.00 H new ATOM 0 HB2 GLU A 162 18.909 5.070 2.052 1.00 0.00 H new ATOM 0 HB3 GLU A 162 18.706 5.266 0.323 1.00 0.00 H new ATOM 0 HG2 GLU A 162 19.249 7.847 0.910 1.00 0.00 H new ATOM 0 HG3 GLU A 162 20.030 7.126 2.303 1.00 0.00 H new ATOM 763 N GLU A 163 15.816 5.496 -0.226 1.00 0.00 N ATOM 764 CA GLU A 163 14.772 4.571 -0.752 1.00 0.00 C ATOM 765 C GLU A 163 15.157 3.118 -0.456 1.00 0.00 C ATOM 766 O GLU A 163 16.283 2.711 -0.662 1.00 0.00 O ATOM 767 CB GLU A 163 14.740 4.820 -2.260 1.00 0.00 C ATOM 768 CG GLU A 163 14.151 6.205 -2.536 1.00 0.00 C ATOM 769 CD GLU A 163 12.661 6.071 -2.856 1.00 0.00 C ATOM 770 OE1 GLU A 163 12.077 5.078 -2.454 1.00 0.00 O ATOM 771 OE2 GLU A 163 12.129 6.962 -3.498 1.00 0.00 O ATOM 0 H GLU A 163 16.177 6.173 -0.898 1.00 0.00 H new ATOM 0 HA GLU A 163 13.799 4.744 -0.292 1.00 0.00 H new ATOM 0 HB2 GLU A 163 15.747 4.753 -2.672 1.00 0.00 H new ATOM 0 HB3 GLU A 163 14.142 4.054 -2.753 1.00 0.00 H new ATOM 0 HG2 GLU A 163 14.291 6.851 -1.669 1.00 0.00 H new ATOM 0 HG3 GLU A 163 14.672 6.674 -3.370 1.00 0.00 H new ATOM 778 N ASP A 164 14.231 2.336 0.027 1.00 0.00 N ATOM 779 CA ASP A 164 14.546 0.913 0.338 1.00 0.00 C ATOM 780 C ASP A 164 14.508 0.070 -0.940 1.00 0.00 C ATOM 781 O ASP A 164 13.455 -0.256 -1.450 1.00 0.00 O ATOM 782 CB ASP A 164 13.448 0.468 1.306 1.00 0.00 C ATOM 783 CG ASP A 164 13.754 -0.940 1.818 1.00 0.00 C ATOM 784 OD1 ASP A 164 13.829 -1.843 1.001 1.00 0.00 O ATOM 785 OD2 ASP A 164 13.907 -1.092 3.018 1.00 0.00 O ATOM 0 H ASP A 164 13.271 2.621 0.220 1.00 0.00 H new ATOM 0 HA ASP A 164 15.541 0.795 0.766 1.00 0.00 H new ATOM 0 HB2 ASP A 164 13.383 1.164 2.143 1.00 0.00 H new ATOM 0 HB3 ASP A 164 12.480 0.481 0.805 1.00 0.00 H new