USER MOD reduce.3.24.130724 H: found=0, std=0, add=398, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 399 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 16 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -150:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN :FLIP amide:sc= 0.095 F(o=-0.85,f=0.095) USER MOD Single : A 31 MET CE :methyl 142:sc= -4.56! (180deg=-9.58!) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.0416 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot -171:sc= -0.986 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.67 K(o=-0.67,f=-4.8!) USER MOD Single : A 53 CYS SG : rot -39:sc= -0.249 USER MOD Single : A 58 THR OG1 : rot 82:sc= 1.04 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.5) USER MOD ----------------------------------------------------------------- ATOM 179 N PHE A 15 -9.522 3.973 2.727 1.00 0.00 N ATOM 180 CA PHE A 15 -8.798 3.296 3.797 1.00 0.00 C ATOM 181 C PHE A 15 -9.102 3.936 5.148 1.00 0.00 C ATOM 182 O PHE A 15 -9.575 5.070 5.218 1.00 0.00 O ATOM 183 CB PHE A 15 -7.293 3.335 3.528 1.00 0.00 C ATOM 184 CG PHE A 15 -6.850 2.377 2.459 1.00 0.00 C ATOM 185 CD1 PHE A 15 -7.136 1.025 2.559 1.00 0.00 C ATOM 186 CD2 PHE A 15 -6.148 2.829 1.353 1.00 0.00 C ATOM 187 CE1 PHE A 15 -6.729 0.142 1.577 1.00 0.00 C ATOM 188 CE2 PHE A 15 -5.738 1.951 0.367 1.00 0.00 C ATOM 189 CZ PHE A 15 -6.030 0.605 0.479 1.00 0.00 C ATOM 0 HA PHE A 15 -9.127 2.257 3.824 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -7.010 4.347 3.238 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -6.761 3.108 4.452 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -7.683 0.657 3.414 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -5.918 3.880 1.260 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -6.957 -0.910 1.668 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -5.190 2.316 -0.489 1.00 0.00 H new ATOM 0 HZ PHE A 15 -5.712 -0.083 -0.290 1.00 0.00 H new ATOM 199 N SER A 16 -8.827 3.199 6.220 1.00 0.00 N ATOM 200 CA SER A 16 -9.074 3.692 7.570 1.00 0.00 C ATOM 201 C SER A 16 -7.762 3.900 8.321 1.00 0.00 C ATOM 202 O SER A 16 -6.781 3.195 8.086 1.00 0.00 O ATOM 203 CB SER A 16 -9.965 2.713 8.338 1.00 0.00 C ATOM 204 OG SER A 16 -11.201 2.520 7.672 1.00 0.00 O ATOM 0 H SER A 16 -8.433 2.259 6.180 1.00 0.00 H new ATOM 0 HA SER A 16 -9.584 4.652 7.492 1.00 0.00 H new ATOM 0 HB2 SER A 16 -9.453 1.757 8.445 1.00 0.00 H new ATOM 0 HB3 SER A 16 -10.145 3.092 9.344 1.00 0.00 H new ATOM 0 HG SER A 16 -11.752 1.889 8.181 1.00 0.00 H new ATOM 210 N ASP A 17 -7.754 4.873 9.225 1.00 0.00 N ATOM 211 CA ASP A 17 -6.564 5.174 10.013 1.00 0.00 C ATOM 212 C ASP A 17 -5.808 3.897 10.367 1.00 0.00 C ATOM 213 O ASP A 17 -4.581 3.845 10.279 1.00 0.00 O ATOM 214 CB ASP A 17 -6.947 5.925 11.289 1.00 0.00 C ATOM 215 CG ASP A 17 -5.745 6.249 12.154 1.00 0.00 C ATOM 216 OD1 ASP A 17 -5.031 7.224 11.837 1.00 0.00 O ATOM 217 OD2 ASP A 17 -5.518 5.529 13.148 1.00 0.00 O ATOM 0 H ASP A 17 -8.558 5.467 9.431 1.00 0.00 H new ATOM 0 HA ASP A 17 -5.911 5.806 9.411 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -7.459 6.850 11.023 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -7.652 5.324 11.863 1.00 0.00 H new ATOM 222 N ARG A 18 -6.549 2.869 10.768 1.00 0.00 N ATOM 223 CA ARG A 18 -5.949 1.593 11.138 1.00 0.00 C ATOM 224 C ARG A 18 -5.205 0.980 9.956 1.00 0.00 C ATOM 225 O ARG A 18 -3.996 0.755 10.019 1.00 0.00 O ATOM 226 CB ARG A 18 -7.024 0.625 11.635 1.00 0.00 C ATOM 227 CG ARG A 18 -6.491 -0.450 12.568 1.00 0.00 C ATOM 228 CD ARG A 18 -6.058 0.135 13.903 1.00 0.00 C ATOM 229 NE ARG A 18 -5.887 -0.896 14.923 1.00 0.00 N ATOM 230 CZ ARG A 18 -5.925 -0.652 16.228 1.00 0.00 C ATOM 231 NH1 ARG A 18 -6.126 0.582 16.670 1.00 0.00 N ATOM 232 NH2 ARG A 18 -5.761 -1.643 17.095 1.00 0.00 N ATOM 0 H ARG A 18 -7.566 2.895 10.845 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.234 1.775 11.941 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.800 1.191 12.152 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.496 0.148 10.776 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -7.260 -1.204 12.733 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.646 -0.954 12.099 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.121 0.677 13.774 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -6.801 0.858 14.240 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.730 -1.856 14.616 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.252 1.347 16.007 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.155 0.766 17.673 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.605 -2.594 16.760 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.790 -1.454 18.097 1.00 0.00 H new ATOM 246 N ASP A 19 -5.935 0.711 8.879 1.00 0.00 N ATOM 247 CA ASP A 19 -5.344 0.125 7.681 1.00 0.00 C ATOM 248 C ASP A 19 -4.152 0.949 7.203 1.00 0.00 C ATOM 249 O ASP A 19 -3.087 0.406 6.909 1.00 0.00 O ATOM 250 CB ASP A 19 -6.388 0.023 6.569 1.00 0.00 C ATOM 251 CG ASP A 19 -7.524 -0.916 6.925 1.00 0.00 C ATOM 252 OD1 ASP A 19 -8.376 -0.529 7.751 1.00 0.00 O ATOM 253 OD2 ASP A 19 -7.560 -2.039 6.378 1.00 0.00 O ATOM 0 H ASP A 19 -6.937 0.889 8.811 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.993 -0.876 7.932 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.791 1.014 6.361 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -5.907 -0.324 5.654 1.00 0.00 H new ATOM 258 N LEU A 20 -4.340 2.262 7.128 1.00 0.00 N ATOM 259 CA LEU A 20 -3.280 3.161 6.685 1.00 0.00 C ATOM 260 C LEU A 20 -2.047 3.029 7.572 1.00 0.00 C ATOM 261 O LEU A 20 -0.936 2.827 7.082 1.00 0.00 O ATOM 262 CB LEU A 20 -3.777 4.608 6.694 1.00 0.00 C ATOM 263 CG LEU A 20 -4.697 5.009 5.541 1.00 0.00 C ATOM 264 CD1 LEU A 20 -5.380 6.335 5.839 1.00 0.00 C ATOM 265 CD2 LEU A 20 -3.916 5.091 4.238 1.00 0.00 C ATOM 0 H LEU A 20 -5.215 2.727 7.368 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.003 2.884 5.668 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.305 4.784 7.631 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.910 5.269 6.687 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.466 4.244 5.433 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -6.031 6.604 5.007 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.973 6.242 6.749 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.626 7.110 5.975 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.588 5.378 3.429 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.125 5.835 4.334 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.475 4.119 4.016 1.00 0.00 H new ATOM 277 N ALA A 21 -2.251 3.143 8.881 1.00 0.00 N ATOM 278 CA ALA A 21 -1.156 3.032 9.837 1.00 0.00 C ATOM 279 C ALA A 21 -0.130 2.001 9.379 1.00 0.00 C ATOM 280 O ALA A 21 1.075 2.252 9.411 1.00 0.00 O ATOM 281 CB ALA A 21 -1.693 2.671 11.214 1.00 0.00 C ATOM 0 H ALA A 21 -3.164 3.312 9.303 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.658 4.000 9.896 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.865 2.591 11.918 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.382 3.446 11.550 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.218 1.717 11.161 1.00 0.00 H new ATOM 287 N THR A 22 -0.615 0.838 8.954 1.00 0.00 N ATOM 288 CA THR A 22 0.260 -0.232 8.492 1.00 0.00 C ATOM 289 C THR A 22 1.056 0.200 7.266 1.00 0.00 C ATOM 290 O THR A 22 2.276 0.034 7.215 1.00 0.00 O ATOM 291 CB THR A 22 -0.540 -1.503 8.149 1.00 0.00 C ATOM 292 OG1 THR A 22 -1.395 -1.853 9.243 1.00 0.00 O ATOM 293 CG2 THR A 22 0.394 -2.662 7.838 1.00 0.00 C ATOM 0 H THR A 22 -1.609 0.614 8.920 1.00 0.00 H new ATOM 0 HA THR A 22 0.947 -0.453 9.309 1.00 0.00 H new ATOM 0 HB THR A 22 -1.146 -1.298 7.266 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.524 -2.824 9.260 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.193 -3.549 7.599 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.024 -2.403 6.987 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.022 -2.866 8.705 1.00 0.00 H new ATOM 301 N LEU A 23 0.361 0.755 6.280 1.00 0.00 N ATOM 302 CA LEU A 23 1.004 1.213 5.053 1.00 0.00 C ATOM 303 C LEU A 23 2.056 2.275 5.353 1.00 0.00 C ATOM 304 O LEU A 23 3.239 2.092 5.065 1.00 0.00 O ATOM 305 CB LEU A 23 -0.040 1.771 4.085 1.00 0.00 C ATOM 306 CG LEU A 23 -0.719 0.753 3.168 1.00 0.00 C ATOM 307 CD1 LEU A 23 -1.955 1.358 2.520 1.00 0.00 C ATOM 308 CD2 LEU A 23 0.254 0.258 2.108 1.00 0.00 C ATOM 0 H LEU A 23 -0.648 0.899 6.306 1.00 0.00 H new ATOM 0 HA LEU A 23 1.499 0.359 4.591 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.811 2.277 4.666 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.438 2.528 3.463 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.032 -0.099 3.772 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.425 0.619 1.871 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.660 1.661 3.294 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.667 2.228 1.930 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.246 -0.466 1.464 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.598 1.100 1.508 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.108 -0.216 2.591 1.00 0.00 H new ATOM 320 N LYS A 24 1.618 3.386 5.936 1.00 0.00 N ATOM 321 CA LYS A 24 2.522 4.478 6.279 1.00 0.00 C ATOM 322 C LYS A 24 3.783 3.949 6.954 1.00 0.00 C ATOM 323 O LYS A 24 4.882 4.454 6.723 1.00 0.00 O ATOM 324 CB LYS A 24 1.819 5.478 7.200 1.00 0.00 C ATOM 325 CG LYS A 24 0.692 6.240 6.523 1.00 0.00 C ATOM 326 CD LYS A 24 0.123 7.316 7.432 1.00 0.00 C ATOM 327 CE LYS A 24 -0.840 6.731 8.454 1.00 0.00 C ATOM 328 NZ LYS A 24 -1.259 7.742 9.464 1.00 0.00 N ATOM 0 H LYS A 24 0.642 3.554 6.181 1.00 0.00 H new ATOM 0 HA LYS A 24 2.810 4.982 5.356 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.419 4.946 8.063 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.553 6.190 7.577 1.00 0.00 H new ATOM 0 HG2 LYS A 24 1.060 6.696 5.604 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.099 5.546 6.240 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.937 7.826 7.948 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.393 8.065 6.832 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.721 6.342 7.942 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.367 5.889 8.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.915 7.304 10.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.422 8.095 9.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.734 8.534 8.986 1.00 0.00 H new ATOM 342 N LYS A 25 3.618 2.928 7.788 1.00 0.00 N ATOM 343 CA LYS A 25 4.743 2.327 8.495 1.00 0.00 C ATOM 344 C LYS A 25 5.853 1.942 7.523 1.00 0.00 C ATOM 345 O LYS A 25 7.003 2.351 7.685 1.00 0.00 O ATOM 346 CB LYS A 25 4.282 1.093 9.274 1.00 0.00 C ATOM 347 CG LYS A 25 5.187 0.739 10.442 1.00 0.00 C ATOM 348 CD LYS A 25 4.810 1.513 11.694 1.00 0.00 C ATOM 349 CE LYS A 25 5.489 0.940 12.929 1.00 0.00 C ATOM 350 NZ LYS A 25 6.828 1.551 13.158 1.00 0.00 N ATOM 0 H LYS A 25 2.715 2.499 7.991 1.00 0.00 H new ATOM 0 HA LYS A 25 5.136 3.065 9.195 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.272 1.265 9.647 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.230 0.243 8.594 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.123 -0.331 10.642 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.223 0.953 10.179 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.092 2.559 11.575 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.728 1.487 11.827 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.858 1.109 13.802 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.596 -0.139 12.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.259 1.135 14.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.438 1.368 12.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.723 2.577 13.290 1.00 0.00 H new ATOM 364 N TYR A 26 5.502 1.154 6.512 1.00 0.00 N ATOM 365 CA TYR A 26 6.469 0.714 5.515 1.00 0.00 C ATOM 366 C TYR A 26 7.007 1.898 4.717 1.00 0.00 C ATOM 367 O TYR A 26 8.184 1.934 4.356 1.00 0.00 O ATOM 368 CB TYR A 26 5.830 -0.304 4.569 1.00 0.00 C ATOM 369 CG TYR A 26 5.502 -1.624 5.231 1.00 0.00 C ATOM 370 CD1 TYR A 26 6.483 -2.590 5.421 1.00 0.00 C ATOM 371 CD2 TYR A 26 4.213 -1.904 5.665 1.00 0.00 C ATOM 372 CE1 TYR A 26 6.188 -3.797 6.025 1.00 0.00 C ATOM 373 CE2 TYR A 26 3.909 -3.108 6.271 1.00 0.00 C ATOM 374 CZ TYR A 26 4.900 -4.051 6.449 1.00 0.00 C ATOM 375 OH TYR A 26 4.602 -5.252 7.051 1.00 0.00 O ATOM 0 H TYR A 26 4.554 0.807 6.362 1.00 0.00 H new ATOM 0 HA TYR A 26 7.302 0.243 6.037 1.00 0.00 H new ATOM 0 HB2 TYR A 26 4.916 0.122 4.154 1.00 0.00 H new ATOM 0 HB3 TYR A 26 6.506 -0.484 3.733 1.00 0.00 H new ATOM 0 HD1 TYR A 26 7.492 -2.394 5.091 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.435 -1.168 5.527 1.00 0.00 H new ATOM 0 HE1 TYR A 26 6.962 -4.538 6.164 1.00 0.00 H new ATOM 0 HE2 TYR A 26 2.901 -3.310 6.603 1.00 0.00 H new ATOM 0 HH TYR A 26 3.652 -5.271 7.291 1.00 0.00 H new ATOM 385 N TRP A 27 6.138 2.864 4.447 1.00 0.00 N ATOM 386 CA TRP A 27 6.524 4.051 3.692 1.00 0.00 C ATOM 387 C TRP A 27 7.673 4.782 4.379 1.00 0.00 C ATOM 388 O TRP A 27 8.440 5.496 3.733 1.00 0.00 O ATOM 389 CB TRP A 27 5.328 4.991 3.533 1.00 0.00 C ATOM 390 CG TRP A 27 5.680 6.295 2.882 1.00 0.00 C ATOM 391 CD1 TRP A 27 6.541 7.242 3.358 1.00 0.00 C ATOM 392 CD2 TRP A 27 5.178 6.795 1.638 1.00 0.00 C ATOM 393 NE1 TRP A 27 6.604 8.301 2.485 1.00 0.00 N ATOM 394 CE2 TRP A 27 5.778 8.051 1.421 1.00 0.00 C ATOM 395 CE3 TRP A 27 4.282 6.303 0.685 1.00 0.00 C ATOM 396 CZ2 TRP A 27 5.508 8.819 0.292 1.00 0.00 C ATOM 397 CZ3 TRP A 27 4.015 7.067 -0.435 1.00 0.00 C ATOM 398 CH2 TRP A 27 4.627 8.313 -0.624 1.00 0.00 C ATOM 0 H TRP A 27 5.161 2.849 4.739 1.00 0.00 H new ATOM 0 HA TRP A 27 6.859 3.731 2.705 1.00 0.00 H new ATOM 0 HB2 TRP A 27 4.560 4.493 2.941 1.00 0.00 H new ATOM 0 HB3 TRP A 27 4.897 5.188 4.514 1.00 0.00 H new ATOM 0 HD1 TRP A 27 7.091 7.169 4.284 1.00 0.00 H new ATOM 0 HE1 TRP A 27 7.174 9.138 2.609 1.00 0.00 H new ATOM 0 HE3 TRP A 27 3.807 5.343 0.821 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 5.977 9.780 0.144 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 3.323 6.697 -1.177 1.00 0.00 H new ATOM 0 HH2 TRP A 27 4.399 8.886 -1.511 1.00 0.00 H new ATOM 409 N ASP A 28 7.786 4.599 5.690 1.00 0.00 N ATOM 410 CA ASP A 28 8.843 5.240 6.463 1.00 0.00 C ATOM 411 C ASP A 28 10.157 4.478 6.324 1.00 0.00 C ATOM 412 O ASP A 28 11.187 4.898 6.848 1.00 0.00 O ATOM 413 CB ASP A 28 8.443 5.329 7.937 1.00 0.00 C ATOM 414 CG ASP A 28 9.174 6.437 8.669 1.00 0.00 C ATOM 415 OD1 ASP A 28 8.867 7.620 8.412 1.00 0.00 O ATOM 416 OD2 ASP A 28 10.053 6.122 9.499 1.00 0.00 O ATOM 0 H ASP A 28 7.158 4.012 6.240 1.00 0.00 H new ATOM 0 HA ASP A 28 8.986 6.247 6.072 1.00 0.00 H new ATOM 0 HB2 ASP A 28 7.368 5.497 8.009 1.00 0.00 H new ATOM 0 HB3 ASP A 28 8.650 4.377 8.425 1.00 0.00 H new ATOM 421 N ASN A 29 10.111 3.355 5.615 1.00 0.00 N ATOM 422 CA ASN A 29 11.298 2.533 5.409 1.00 0.00 C ATOM 423 C ASN A 29 11.735 2.565 3.948 1.00 0.00 C ATOM 424 O ASN A 29 12.518 1.726 3.504 1.00 0.00 O ATOM 425 CB ASN A 29 11.026 1.090 5.840 1.00 0.00 C ATOM 426 CG ASN A 29 12.303 0.314 6.100 1.00 0.00 C ATOM 427 OD1 ASN A 29 12.616 0.099 7.372 1.00 0.00 O flip ATOM 428 ND2 ASN A 29 12.998 -0.089 5.167 1.00 0.00 N flip ATOM 0 H ASN A 29 9.265 2.993 5.174 1.00 0.00 H new ATOM 0 HA ASN A 29 12.103 2.942 6.020 1.00 0.00 H new ATOM 0 HB2 ASN A 29 10.415 1.092 6.743 1.00 0.00 H new ATOM 0 HB3 ASN A 29 10.448 0.585 5.066 1.00 0.00 H new ATOM 0 HD21 ASN A 29 12.718 0.100 4.204 1.00 0.00 H new ATOM 0 HD22 ASN A 29 13.853 -0.611 5.357 1.00 0.00 H new ATOM 435 N GLY A 30 11.223 3.541 3.204 1.00 0.00 N ATOM 436 CA GLY A 30 11.572 3.666 1.801 1.00 0.00 C ATOM 437 C GLY A 30 10.604 2.930 0.895 1.00 0.00 C ATOM 438 O GLY A 30 10.919 2.644 -0.259 1.00 0.00 O ATOM 0 H GLY A 30 10.573 4.247 3.548 1.00 0.00 H new ATOM 0 HA2 GLY A 30 11.591 4.721 1.527 1.00 0.00 H new ATOM 0 HA3 GLY A 30 12.578 3.278 1.644 1.00 0.00 H new ATOM 442 N MET A 31 9.422 2.622 1.421 1.00 0.00 N ATOM 443 CA MET A 31 8.406 1.914 0.651 1.00 0.00 C ATOM 444 C MET A 31 7.650 2.873 -0.263 1.00 0.00 C ATOM 445 O MET A 31 6.427 2.797 -0.386 1.00 0.00 O ATOM 446 CB MET A 31 7.426 1.207 1.589 1.00 0.00 C ATOM 447 CG MET A 31 6.728 0.015 0.953 1.00 0.00 C ATOM 448 SD MET A 31 5.068 -0.248 1.606 1.00 0.00 S ATOM 449 CE MET A 31 4.171 1.072 0.792 1.00 0.00 C ATOM 0 H MET A 31 9.145 2.851 2.376 1.00 0.00 H new ATOM 0 HA MET A 31 8.908 1.170 0.032 1.00 0.00 H new ATOM 0 HB2 MET A 31 7.963 0.872 2.477 1.00 0.00 H new ATOM 0 HB3 MET A 31 6.674 1.923 1.922 1.00 0.00 H new ATOM 0 HG2 MET A 31 6.670 0.165 -0.125 1.00 0.00 H new ATOM 0 HG3 MET A 31 7.325 -0.882 1.118 1.00 0.00 H new ATOM 0 HE1 MET A 31 3.179 0.719 0.512 1.00 0.00 H new ATOM 0 HE2 MET A 31 4.076 1.920 1.470 1.00 0.00 H new ATOM 0 HE3 MET A 31 4.712 1.382 -0.102 1.00 0.00 H new ATOM 459 N THR A 32 8.385 3.778 -0.902 1.00 0.00 N ATOM 460 CA THR A 32 7.784 4.753 -1.803 1.00 0.00 C ATOM 461 C THR A 32 7.664 4.195 -3.217 1.00 0.00 C ATOM 462 O THR A 32 6.657 4.403 -3.893 1.00 0.00 O ATOM 463 CB THR A 32 8.603 6.057 -1.846 1.00 0.00 C ATOM 464 OG1 THR A 32 9.873 5.818 -2.463 1.00 0.00 O ATOM 465 CG2 THR A 32 8.810 6.613 -0.445 1.00 0.00 C ATOM 0 H THR A 32 9.398 3.856 -0.812 1.00 0.00 H new ATOM 0 HA THR A 32 6.789 4.970 -1.415 1.00 0.00 H new ATOM 0 HB THR A 32 8.048 6.790 -2.432 1.00 0.00 H new ATOM 0 HG1 THR A 32 10.387 6.652 -2.488 1.00 0.00 H new ATOM 0 HG21 THR A 32 9.391 7.534 -0.501 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.842 6.822 0.010 1.00 0.00 H new ATOM 0 HG23 THR A 32 9.346 5.882 0.161 1.00 0.00 H new ATOM 473 N SER A 33 8.698 3.484 -3.657 1.00 0.00 N ATOM 474 CA SER A 33 8.709 2.898 -4.992 1.00 0.00 C ATOM 475 C SER A 33 8.254 1.442 -4.950 1.00 0.00 C ATOM 476 O SER A 33 8.065 0.869 -3.877 1.00 0.00 O ATOM 477 CB SER A 33 10.110 2.988 -5.600 1.00 0.00 C ATOM 478 OG SER A 33 10.048 3.085 -7.012 1.00 0.00 O ATOM 0 H SER A 33 9.538 3.300 -3.109 1.00 0.00 H new ATOM 0 HA SER A 33 8.013 3.461 -5.614 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.630 3.856 -5.195 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.689 2.109 -5.318 1.00 0.00 H new ATOM 0 HG SER A 33 10.956 3.143 -7.376 1.00 0.00 H new ATOM 484 N LEU A 34 8.079 0.850 -6.126 1.00 0.00 N ATOM 485 CA LEU A 34 7.646 -0.540 -6.226 1.00 0.00 C ATOM 486 C LEU A 34 8.778 -1.428 -6.732 1.00 0.00 C ATOM 487 O LEU A 34 9.305 -2.259 -5.994 1.00 0.00 O ATOM 488 CB LEU A 34 6.438 -0.652 -7.159 1.00 0.00 C ATOM 489 CG LEU A 34 5.263 0.277 -6.851 1.00 0.00 C ATOM 490 CD1 LEU A 34 4.459 0.556 -8.111 1.00 0.00 C ATOM 491 CD2 LEU A 34 4.376 -0.326 -5.772 1.00 0.00 C ATOM 0 H LEU A 34 8.230 1.310 -7.024 1.00 0.00 H new ATOM 0 HA LEU A 34 7.361 -0.879 -5.230 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.772 -0.457 -8.178 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.078 -1.681 -7.133 1.00 0.00 H new ATOM 0 HG LEU A 34 5.659 1.223 -6.481 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.627 1.219 -7.872 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.100 1.031 -8.854 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.073 -0.381 -8.511 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.545 0.348 -5.565 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.988 -1.286 -6.114 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.958 -0.473 -4.863 1.00 0.00 H new ATOM 503 N GLY A 35 9.147 -1.245 -7.996 1.00 0.00 N ATOM 504 CA GLY A 35 10.216 -2.035 -8.579 1.00 0.00 C ATOM 505 C GLY A 35 10.241 -3.456 -8.050 1.00 0.00 C ATOM 506 O GLY A 35 9.284 -4.210 -8.232 1.00 0.00 O ATOM 0 H GLY A 35 8.725 -0.564 -8.627 1.00 0.00 H new ATOM 0 HA2 GLY A 35 10.099 -2.056 -9.663 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.173 -1.556 -8.371 1.00 0.00 H new ATOM 510 N SER A 36 11.337 -3.823 -7.395 1.00 0.00 N ATOM 511 CA SER A 36 11.485 -5.165 -6.843 1.00 0.00 C ATOM 512 C SER A 36 11.877 -5.106 -5.370 1.00 0.00 C ATOM 513 O SER A 36 11.280 -5.779 -4.530 1.00 0.00 O ATOM 514 CB SER A 36 12.535 -5.951 -7.631 1.00 0.00 C ATOM 515 OG SER A 36 11.967 -6.545 -8.786 1.00 0.00 O ATOM 0 H SER A 36 12.136 -3.210 -7.233 1.00 0.00 H new ATOM 0 HA SER A 36 10.524 -5.673 -6.925 1.00 0.00 H new ATOM 0 HB2 SER A 36 13.348 -5.286 -7.923 1.00 0.00 H new ATOM 0 HB3 SER A 36 12.967 -6.724 -6.996 1.00 0.00 H new ATOM 0 HG SER A 36 12.659 -7.040 -9.273 1.00 0.00 H new ATOM 521 N VAL A 37 12.885 -4.296 -5.064 1.00 0.00 N ATOM 522 CA VAL A 37 13.358 -4.147 -3.693 1.00 0.00 C ATOM 523 C VAL A 37 12.198 -3.892 -2.737 1.00 0.00 C ATOM 524 O VAL A 37 12.169 -4.420 -1.625 1.00 0.00 O ATOM 525 CB VAL A 37 14.373 -2.995 -3.571 1.00 0.00 C ATOM 526 CG1 VAL A 37 13.757 -1.688 -4.047 1.00 0.00 C ATOM 527 CG2 VAL A 37 14.866 -2.870 -2.137 1.00 0.00 C ATOM 0 H VAL A 37 13.390 -3.732 -5.748 1.00 0.00 H new ATOM 0 HA VAL A 37 13.848 -5.082 -3.424 1.00 0.00 H new ATOM 0 HB VAL A 37 15.229 -3.219 -4.208 1.00 0.00 H new ATOM 0 HG11 VAL A 37 14.489 -0.886 -3.953 1.00 0.00 H new ATOM 0 HG12 VAL A 37 13.457 -1.786 -5.090 1.00 0.00 H new ATOM 0 HG13 VAL A 37 12.883 -1.455 -3.439 1.00 0.00 H new ATOM 0 HG21 VAL A 37 15.582 -2.051 -2.069 1.00 0.00 H new ATOM 0 HG22 VAL A 37 14.021 -2.669 -1.478 1.00 0.00 H new ATOM 0 HG23 VAL A 37 15.348 -3.800 -1.836 1.00 0.00 H new ATOM 537 N CYS A 38 11.244 -3.080 -3.177 1.00 0.00 N ATOM 538 CA CYS A 38 10.080 -2.753 -2.360 1.00 0.00 C ATOM 539 C CYS A 38 9.046 -3.873 -2.415 1.00 0.00 C ATOM 540 O CYS A 38 8.412 -4.195 -1.411 1.00 0.00 O ATOM 541 CB CYS A 38 9.453 -1.440 -2.830 1.00 0.00 C ATOM 542 SG CYS A 38 10.591 -0.034 -2.821 1.00 0.00 S ATOM 0 H CYS A 38 11.253 -2.636 -4.095 1.00 0.00 H new ATOM 0 HA CYS A 38 10.412 -2.639 -1.328 1.00 0.00 H new ATOM 0 HB2 CYS A 38 9.067 -1.575 -3.840 1.00 0.00 H new ATOM 0 HB3 CYS A 38 8.600 -1.208 -2.192 1.00 0.00 H new ATOM 0 HG CYS A 38 9.929 1.062 -3.045 1.00 0.00 H new ATOM 548 N ARG A 39 8.880 -4.460 -3.596 1.00 0.00 N ATOM 549 CA ARG A 39 7.920 -5.542 -3.783 1.00 0.00 C ATOM 550 C ARG A 39 7.919 -6.482 -2.581 1.00 0.00 C ATOM 551 O ARG A 39 6.864 -6.913 -2.120 1.00 0.00 O ATOM 552 CB ARG A 39 8.244 -6.325 -5.056 1.00 0.00 C ATOM 553 CG ARG A 39 7.137 -7.274 -5.486 1.00 0.00 C ATOM 554 CD ARG A 39 7.124 -7.469 -6.994 1.00 0.00 C ATOM 555 NE ARG A 39 8.087 -8.479 -7.423 1.00 0.00 N ATOM 556 CZ ARG A 39 7.897 -9.785 -7.276 1.00 0.00 C ATOM 557 NH1 ARG A 39 6.785 -10.238 -6.714 1.00 0.00 N ATOM 558 NH2 ARG A 39 8.821 -10.642 -7.693 1.00 0.00 N ATOM 0 H ARG A 39 9.397 -4.205 -4.437 1.00 0.00 H new ATOM 0 HA ARG A 39 6.928 -5.101 -3.878 1.00 0.00 H new ATOM 0 HB2 ARG A 39 8.442 -5.621 -5.865 1.00 0.00 H new ATOM 0 HB3 ARG A 39 9.159 -6.896 -4.898 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.271 -8.238 -4.995 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.173 -6.882 -5.161 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.124 -7.763 -7.313 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.349 -6.522 -7.484 1.00 0.00 H new ATOM 0 HE ARG A 39 8.953 -8.164 -7.860 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.072 -9.583 -6.393 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.642 -11.242 -6.603 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.678 -10.297 -8.127 1.00 0.00 H new ATOM 0 HH22 ARG A 39 8.674 -11.645 -7.580 1.00 0.00 H new ATOM 572 N GLU A 40 9.110 -6.794 -2.080 1.00 0.00 N ATOM 573 CA GLU A 40 9.246 -7.684 -0.933 1.00 0.00 C ATOM 574 C GLU A 40 8.403 -7.192 0.241 1.00 0.00 C ATOM 575 O GLU A 40 7.618 -7.946 0.816 1.00 0.00 O ATOM 576 CB GLU A 40 10.714 -7.790 -0.512 1.00 0.00 C ATOM 577 CG GLU A 40 11.523 -8.753 -1.363 1.00 0.00 C ATOM 578 CD GLU A 40 12.085 -8.099 -2.610 1.00 0.00 C ATOM 579 OE1 GLU A 40 13.060 -7.328 -2.489 1.00 0.00 O ATOM 580 OE2 GLU A 40 11.549 -8.358 -3.708 1.00 0.00 O ATOM 0 H GLU A 40 9.994 -6.444 -2.450 1.00 0.00 H new ATOM 0 HA GLU A 40 8.888 -8.671 -1.227 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.170 -6.801 -0.564 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.763 -8.109 0.529 1.00 0.00 H new ATOM 0 HG2 GLU A 40 12.342 -9.157 -0.768 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.893 -9.595 -1.651 1.00 0.00 H new ATOM 587 N LYS A 41 8.572 -5.921 0.591 1.00 0.00 N ATOM 588 CA LYS A 41 7.828 -5.326 1.694 1.00 0.00 C ATOM 589 C LYS A 41 6.326 -5.403 1.442 1.00 0.00 C ATOM 590 O LYS A 41 5.558 -5.790 2.323 1.00 0.00 O ATOM 591 CB LYS A 41 8.248 -3.868 1.892 1.00 0.00 C ATOM 592 CG LYS A 41 9.738 -3.691 2.129 1.00 0.00 C ATOM 593 CD LYS A 41 10.130 -4.098 3.539 1.00 0.00 C ATOM 594 CE LYS A 41 11.483 -3.522 3.929 1.00 0.00 C ATOM 595 NZ LYS A 41 11.607 -3.348 5.403 1.00 0.00 N ATOM 0 H LYS A 41 9.218 -5.283 0.126 1.00 0.00 H new ATOM 0 HA LYS A 41 8.056 -5.890 2.598 1.00 0.00 H new ATOM 0 HB2 LYS A 41 7.958 -3.292 1.013 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.702 -3.453 2.739 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.296 -4.289 1.408 1.00 0.00 H new ATOM 0 HG3 LYS A 41 10.013 -2.650 1.960 1.00 0.00 H new ATOM 0 HD2 LYS A 41 9.371 -3.755 4.242 1.00 0.00 H new ATOM 0 HD3 LYS A 41 10.162 -5.185 3.609 1.00 0.00 H new ATOM 0 HE2 LYS A 41 12.275 -4.181 3.573 1.00 0.00 H new ATOM 0 HE3 LYS A 41 11.624 -2.560 3.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 12.542 -2.953 5.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 10.867 -2.699 5.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 11.498 -4.270 5.872 1.00 0.00 H new ATOM 609 N ILE A 42 5.914 -5.035 0.233 1.00 0.00 N ATOM 610 CA ILE A 42 4.504 -5.066 -0.135 1.00 0.00 C ATOM 611 C ILE A 42 3.889 -6.430 0.158 1.00 0.00 C ATOM 612 O ILE A 42 2.739 -6.525 0.585 1.00 0.00 O ATOM 613 CB ILE A 42 4.303 -4.733 -1.625 1.00 0.00 C ATOM 614 CG1 ILE A 42 4.846 -3.337 -1.936 1.00 0.00 C ATOM 615 CG2 ILE A 42 2.831 -4.830 -1.996 1.00 0.00 C ATOM 616 CD1 ILE A 42 5.357 -3.189 -3.352 1.00 0.00 C ATOM 0 H ILE A 42 6.537 -4.712 -0.508 1.00 0.00 H new ATOM 0 HA ILE A 42 4.004 -4.308 0.468 1.00 0.00 H new ATOM 0 HB ILE A 42 4.856 -5.458 -2.222 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.059 -2.603 -1.764 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.654 -3.107 -1.241 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.706 -4.592 -3.052 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.474 -5.843 -1.808 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.257 -4.125 -1.394 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.726 -2.174 -3.501 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.166 -3.899 -3.523 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.547 -3.387 -4.054 1.00 0.00 H new ATOM 628 N GLU A 43 4.664 -7.485 -0.075 1.00 0.00 N ATOM 629 CA GLU A 43 4.195 -8.845 0.165 1.00 0.00 C ATOM 630 C GLU A 43 3.776 -9.027 1.621 1.00 0.00 C ATOM 631 O GLU A 43 2.936 -9.870 1.935 1.00 0.00 O ATOM 632 CB GLU A 43 5.287 -9.855 -0.194 1.00 0.00 C ATOM 633 CG GLU A 43 5.628 -9.883 -1.674 1.00 0.00 C ATOM 634 CD GLU A 43 4.773 -10.866 -2.451 1.00 0.00 C ATOM 635 OE1 GLU A 43 5.009 -12.086 -2.324 1.00 0.00 O ATOM 636 OE2 GLU A 43 3.869 -10.415 -3.185 1.00 0.00 O ATOM 0 H GLU A 43 5.619 -7.424 -0.429 1.00 0.00 H new ATOM 0 HA GLU A 43 3.326 -9.020 -0.469 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.188 -9.620 0.373 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.966 -10.850 0.115 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.498 -8.885 -2.092 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.679 -10.145 -1.796 1.00 0.00 H new ATOM 643 N ALA A 44 4.368 -8.231 2.505 1.00 0.00 N ATOM 644 CA ALA A 44 4.056 -8.303 3.927 1.00 0.00 C ATOM 645 C ALA A 44 2.820 -7.474 4.260 1.00 0.00 C ATOM 646 O ALA A 44 1.825 -7.998 4.760 1.00 0.00 O ATOM 647 CB ALA A 44 5.246 -7.836 4.752 1.00 0.00 C ATOM 0 H ALA A 44 5.066 -7.529 2.261 1.00 0.00 H new ATOM 0 HA ALA A 44 3.841 -9.342 4.175 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.999 -7.895 5.812 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.106 -8.473 4.544 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.487 -6.805 4.492 1.00 0.00 H new ATOM 653 N VAL A 45 2.891 -6.176 3.981 1.00 0.00 N ATOM 654 CA VAL A 45 1.778 -5.274 4.251 1.00 0.00 C ATOM 655 C VAL A 45 0.492 -5.780 3.607 1.00 0.00 C ATOM 656 O VAL A 45 -0.608 -5.444 4.046 1.00 0.00 O ATOM 657 CB VAL A 45 2.070 -3.852 3.738 1.00 0.00 C ATOM 658 CG1 VAL A 45 2.164 -3.840 2.220 1.00 0.00 C ATOM 659 CG2 VAL A 45 1.003 -2.881 4.221 1.00 0.00 C ATOM 0 H VAL A 45 3.708 -5.726 3.568 1.00 0.00 H new ATOM 0 HA VAL A 45 1.652 -5.243 5.333 1.00 0.00 H new ATOM 0 HB VAL A 45 3.031 -3.531 4.140 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.371 -2.826 1.876 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.968 -4.503 1.900 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.221 -4.182 1.794 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.226 -1.881 3.849 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.028 -3.198 3.850 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.990 -2.868 5.311 1.00 0.00 H new ATOM 669 N ALA A 46 0.638 -6.591 2.564 1.00 0.00 N ATOM 670 CA ALA A 46 -0.512 -7.146 1.861 1.00 0.00 C ATOM 671 C ALA A 46 -1.085 -8.346 2.607 1.00 0.00 C ATOM 672 O ALA A 46 -2.300 -8.475 2.757 1.00 0.00 O ATOM 673 CB ALA A 46 -0.123 -7.540 0.444 1.00 0.00 C ATOM 0 H ALA A 46 1.541 -6.878 2.187 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.284 -6.378 1.815 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.991 -7.953 -0.070 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.233 -6.661 -0.093 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.668 -8.289 0.479 1.00 0.00 H new ATOM 679 N THR A 47 -0.202 -9.223 3.075 1.00 0.00 N ATOM 680 CA THR A 47 -0.620 -10.414 3.804 1.00 0.00 C ATOM 681 C THR A 47 -1.087 -10.061 5.211 1.00 0.00 C ATOM 682 O THR A 47 -1.843 -10.809 5.829 1.00 0.00 O ATOM 683 CB THR A 47 0.521 -11.445 3.897 1.00 0.00 C ATOM 684 OG1 THR A 47 -0.008 -12.730 4.245 1.00 0.00 O ATOM 685 CG2 THR A 47 1.553 -11.018 4.930 1.00 0.00 C ATOM 0 H THR A 47 0.807 -9.131 2.962 1.00 0.00 H new ATOM 0 HA THR A 47 -1.449 -10.851 3.248 1.00 0.00 H new ATOM 0 HB THR A 47 1.008 -11.505 2.924 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.723 -13.380 4.301 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.349 -11.761 4.978 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.974 -10.053 4.647 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.077 -10.933 5.907 1.00 0.00 H new ATOM 693 N GLU A 48 -0.632 -8.916 5.711 1.00 0.00 N ATOM 694 CA GLU A 48 -1.004 -8.465 7.047 1.00 0.00 C ATOM 695 C GLU A 48 -2.398 -7.844 7.043 1.00 0.00 C ATOM 696 O GLU A 48 -3.192 -8.067 7.958 1.00 0.00 O ATOM 697 CB GLU A 48 0.016 -7.452 7.570 1.00 0.00 C ATOM 698 CG GLU A 48 -0.490 -6.629 8.743 1.00 0.00 C ATOM 699 CD GLU A 48 -1.167 -7.477 9.802 1.00 0.00 C ATOM 700 OE1 GLU A 48 -0.781 -8.655 9.954 1.00 0.00 O ATOM 701 OE2 GLU A 48 -2.083 -6.964 10.477 1.00 0.00 O ATOM 0 H GLU A 48 -0.006 -8.285 5.211 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.014 -9.333 7.706 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.920 -7.982 7.872 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.296 -6.780 6.759 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.345 -6.092 9.192 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.193 -5.879 8.380 1.00 0.00 H new ATOM 708 N LEU A 49 -2.688 -7.064 6.008 1.00 0.00 N ATOM 709 CA LEU A 49 -3.986 -6.409 5.883 1.00 0.00 C ATOM 710 C LEU A 49 -4.977 -7.302 5.143 1.00 0.00 C ATOM 711 O LEU A 49 -6.173 -7.015 5.101 1.00 0.00 O ATOM 712 CB LEU A 49 -3.837 -5.075 5.150 1.00 0.00 C ATOM 713 CG LEU A 49 -3.060 -3.986 5.889 1.00 0.00 C ATOM 714 CD1 LEU A 49 -2.869 -2.768 4.998 1.00 0.00 C ATOM 715 CD2 LEU A 49 -3.774 -3.600 7.176 1.00 0.00 C ATOM 0 H LEU A 49 -2.042 -6.869 5.243 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.371 -6.224 6.886 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.344 -5.261 4.196 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.833 -4.694 4.925 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.077 -4.380 6.147 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.314 -2.003 5.541 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.314 -3.054 4.105 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.843 -2.373 4.709 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.206 -2.824 7.688 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.770 -3.226 6.941 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.858 -4.474 7.822 1.00 0.00 H new ATOM 727 N ASN A 50 -4.472 -8.385 4.563 1.00 0.00 N ATOM 728 CA ASN A 50 -5.313 -9.321 3.827 1.00 0.00 C ATOM 729 C ASN A 50 -5.917 -8.655 2.594 1.00 0.00 C ATOM 730 O ASN A 50 -7.105 -8.809 2.311 1.00 0.00 O ATOM 731 CB ASN A 50 -6.428 -9.856 4.728 1.00 0.00 C ATOM 732 CG ASN A 50 -5.892 -10.477 6.003 1.00 0.00 C ATOM 733 OD1 ASN A 50 -5.059 -9.888 6.692 1.00 0.00 O ATOM 734 ND2 ASN A 50 -6.368 -11.675 6.323 1.00 0.00 N ATOM 0 H ASN A 50 -3.484 -8.636 4.588 1.00 0.00 H new ATOM 0 HA ASN A 50 -4.688 -10.153 3.501 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -7.109 -9.043 4.981 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.008 -10.599 4.181 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -6.044 -12.143 7.169 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.058 -12.127 5.723 1.00 0.00 H new ATOM 741 N VAL A 51 -5.089 -7.915 1.863 1.00 0.00 N ATOM 742 CA VAL A 51 -5.540 -7.227 0.659 1.00 0.00 C ATOM 743 C VAL A 51 -4.685 -7.608 -0.545 1.00 0.00 C ATOM 744 O VAL A 51 -3.479 -7.820 -0.420 1.00 0.00 O ATOM 745 CB VAL A 51 -5.500 -5.698 0.839 1.00 0.00 C ATOM 746 CG1 VAL A 51 -6.455 -5.265 1.941 1.00 0.00 C ATOM 747 CG2 VAL A 51 -4.083 -5.233 1.136 1.00 0.00 C ATOM 0 H VAL A 51 -4.103 -7.777 2.084 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.570 -7.539 0.483 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.822 -5.231 -0.092 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.413 -4.182 2.054 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -7.470 -5.564 1.681 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.167 -5.739 2.879 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -4.074 -4.150 1.260 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.729 -5.706 2.052 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.429 -5.509 0.309 1.00 0.00 H new ATOM 757 N ASP A 52 -5.319 -7.695 -1.709 1.00 0.00 N ATOM 758 CA ASP A 52 -4.617 -8.049 -2.937 1.00 0.00 C ATOM 759 C ASP A 52 -3.390 -7.165 -3.136 1.00 0.00 C ATOM 760 O ASP A 52 -3.461 -5.944 -2.986 1.00 0.00 O ATOM 761 CB ASP A 52 -5.553 -7.922 -4.140 1.00 0.00 C ATOM 762 CG ASP A 52 -5.117 -8.787 -5.307 1.00 0.00 C ATOM 763 OD1 ASP A 52 -3.902 -9.049 -5.430 1.00 0.00 O ATOM 764 OD2 ASP A 52 -5.991 -9.203 -6.096 1.00 0.00 O ATOM 0 H ASP A 52 -6.318 -7.525 -1.828 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.287 -9.084 -2.851 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.563 -8.202 -3.842 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.592 -6.880 -4.458 1.00 0.00 H new ATOM 769 N CYS A 53 -2.266 -7.788 -3.474 1.00 0.00 N ATOM 770 CA CYS A 53 -1.023 -7.058 -3.692 1.00 0.00 C ATOM 771 C CYS A 53 -1.286 -5.735 -4.403 1.00 0.00 C ATOM 772 O CYS A 53 -0.749 -4.696 -4.021 1.00 0.00 O ATOM 773 CB CYS A 53 -0.046 -7.904 -4.509 1.00 0.00 C ATOM 774 SG CYS A 53 -0.675 -8.397 -6.131 1.00 0.00 S ATOM 0 H CYS A 53 -2.191 -8.797 -3.603 1.00 0.00 H new ATOM 0 HA CYS A 53 -0.581 -6.845 -2.719 1.00 0.00 H new ATOM 0 HB2 CYS A 53 0.878 -7.343 -4.645 1.00 0.00 H new ATOM 0 HB3 CYS A 53 0.205 -8.800 -3.941 1.00 0.00 H new ATOM 0 HG CYS A 53 -1.938 -8.691 -6.036 1.00 0.00 H new ATOM 780 N GLU A 54 -2.116 -5.782 -5.441 1.00 0.00 N ATOM 781 CA GLU A 54 -2.448 -4.587 -6.208 1.00 0.00 C ATOM 782 C GLU A 54 -2.933 -3.469 -5.289 1.00 0.00 C ATOM 783 O GLU A 54 -2.556 -2.308 -5.455 1.00 0.00 O ATOM 784 CB GLU A 54 -3.521 -4.905 -7.251 1.00 0.00 C ATOM 785 CG GLU A 54 -4.774 -5.533 -6.664 1.00 0.00 C ATOM 786 CD GLU A 54 -5.759 -5.974 -7.729 1.00 0.00 C ATOM 787 OE1 GLU A 54 -5.858 -5.288 -8.767 1.00 0.00 O ATOM 788 OE2 GLU A 54 -6.431 -7.007 -7.523 1.00 0.00 O ATOM 0 H GLU A 54 -2.570 -6.634 -5.770 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.545 -4.251 -6.717 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.794 -3.986 -7.770 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.102 -5.580 -7.997 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.494 -6.393 -6.055 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -5.258 -4.817 -6.001 1.00 0.00 H new ATOM 795 N ILE A 55 -3.770 -3.827 -4.321 1.00 0.00 N ATOM 796 CA ILE A 55 -4.306 -2.855 -3.377 1.00 0.00 C ATOM 797 C ILE A 55 -3.194 -1.998 -2.781 1.00 0.00 C ATOM 798 O ILE A 55 -3.371 -0.800 -2.557 1.00 0.00 O ATOM 799 CB ILE A 55 -5.075 -3.545 -2.234 1.00 0.00 C ATOM 800 CG1 ILE A 55 -6.216 -4.394 -2.799 1.00 0.00 C ATOM 801 CG2 ILE A 55 -5.611 -2.510 -1.256 1.00 0.00 C ATOM 802 CD1 ILE A 55 -7.086 -3.654 -3.790 1.00 0.00 C ATOM 0 H ILE A 55 -4.091 -4.783 -4.170 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.994 -2.219 -3.935 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.389 -4.201 -1.698 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -5.797 -5.276 -3.284 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -6.837 -4.748 -1.976 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -6.152 -3.013 -0.454 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.781 -1.944 -0.834 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.285 -1.831 -1.778 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -7.873 -4.317 -4.149 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.535 -2.787 -3.304 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.478 -3.324 -4.632 1.00 0.00 H new ATOM 814 N VAL A 56 -2.047 -2.619 -2.527 1.00 0.00 N ATOM 815 CA VAL A 56 -0.904 -1.912 -1.960 1.00 0.00 C ATOM 816 C VAL A 56 -0.050 -1.282 -3.054 1.00 0.00 C ATOM 817 O VAL A 56 -0.003 -0.059 -3.192 1.00 0.00 O ATOM 818 CB VAL A 56 -0.025 -2.854 -1.115 1.00 0.00 C ATOM 819 CG1 VAL A 56 1.183 -2.109 -0.568 1.00 0.00 C ATOM 820 CG2 VAL A 56 -0.838 -3.471 0.013 1.00 0.00 C ATOM 0 H VAL A 56 -1.884 -3.610 -2.705 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.303 -1.127 -1.318 1.00 0.00 H new ATOM 0 HB VAL A 56 0.335 -3.660 -1.755 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.792 -2.790 0.026 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.776 -1.720 -1.396 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.848 -1.282 0.058 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.202 -4.134 0.600 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.229 -2.681 0.654 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.667 -4.041 -0.406 1.00 0.00 H new ATOM 830 N ARG A 57 0.625 -2.124 -3.830 1.00 0.00 N ATOM 831 CA ARG A 57 1.479 -1.649 -4.912 1.00 0.00 C ATOM 832 C ARG A 57 0.830 -0.477 -5.642 1.00 0.00 C ATOM 833 O ARG A 57 1.513 0.444 -6.090 1.00 0.00 O ATOM 834 CB ARG A 57 1.766 -2.783 -5.898 1.00 0.00 C ATOM 835 CG ARG A 57 3.000 -3.598 -5.547 1.00 0.00 C ATOM 836 CD ARG A 57 2.921 -5.004 -6.121 1.00 0.00 C ATOM 837 NE ARG A 57 2.789 -4.994 -7.576 1.00 0.00 N ATOM 838 CZ ARG A 57 2.565 -6.084 -8.301 1.00 0.00 C ATOM 839 NH1 ARG A 57 2.446 -7.265 -7.710 1.00 0.00 N ATOM 840 NH2 ARG A 57 2.457 -5.994 -9.621 1.00 0.00 N ATOM 0 H ARG A 57 0.597 -3.139 -3.729 1.00 0.00 H new ATOM 0 HA ARG A 57 2.419 -1.308 -4.477 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.902 -3.446 -5.937 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.890 -2.363 -6.896 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.889 -3.097 -5.930 1.00 0.00 H new ATOM 0 HG3 ARG A 57 3.106 -3.652 -4.463 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.816 -5.560 -5.842 1.00 0.00 H new ATOM 0 HD3 ARG A 57 2.071 -5.527 -5.683 1.00 0.00 H new ATOM 0 HE ARG A 57 2.874 -4.101 -8.062 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.526 -7.338 -6.696 1.00 0.00 H new ATOM 0 HH12 ARG A 57 2.274 -8.100 -8.270 1.00 0.00 H new ATOM 0 HH21 ARG A 57 2.546 -5.087 -10.079 1.00 0.00 H new ATOM 0 HH22 ARG A 57 2.285 -6.832 -10.177 1.00 0.00 H new ATOM 854 N THR A 58 -0.494 -0.519 -5.759 1.00 0.00 N ATOM 855 CA THR A 58 -1.235 0.538 -6.436 1.00 0.00 C ATOM 856 C THR A 58 -1.358 1.775 -5.554 1.00 0.00 C ATOM 857 O THR A 58 -1.133 2.897 -6.007 1.00 0.00 O ATOM 858 CB THR A 58 -2.645 0.066 -6.839 1.00 0.00 C ATOM 859 OG1 THR A 58 -2.551 -1.052 -7.729 1.00 0.00 O ATOM 860 CG2 THR A 58 -3.421 1.190 -7.508 1.00 0.00 C ATOM 0 H THR A 58 -1.075 -1.274 -5.394 1.00 0.00 H new ATOM 0 HA THR A 58 -0.674 0.791 -7.335 1.00 0.00 H new ATOM 0 HB THR A 58 -3.177 -0.233 -5.936 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.407 -1.871 -7.211 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.413 0.833 -7.784 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.516 2.028 -6.817 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.891 1.516 -8.403 1.00 0.00 H new ATOM 868 N TRP A 59 -1.716 1.562 -4.292 1.00 0.00 N ATOM 869 CA TRP A 59 -1.869 2.662 -3.346 1.00 0.00 C ATOM 870 C TRP A 59 -0.614 3.526 -3.309 1.00 0.00 C ATOM 871 O TRP A 59 -0.696 4.752 -3.227 1.00 0.00 O ATOM 872 CB TRP A 59 -2.171 2.120 -1.948 1.00 0.00 C ATOM 873 CG TRP A 59 -2.041 3.153 -0.870 1.00 0.00 C ATOM 874 CD1 TRP A 59 -3.019 3.990 -0.414 1.00 0.00 C ATOM 875 CD2 TRP A 59 -0.864 3.459 -0.114 1.00 0.00 C ATOM 876 NE1 TRP A 59 -2.520 4.798 0.580 1.00 0.00 N ATOM 877 CE2 TRP A 59 -1.201 4.491 0.783 1.00 0.00 C ATOM 878 CE3 TRP A 59 0.442 2.960 -0.107 1.00 0.00 C ATOM 879 CZ2 TRP A 59 -0.279 5.032 1.675 1.00 0.00 C ATOM 880 CZ3 TRP A 59 1.356 3.498 0.779 1.00 0.00 C ATOM 881 CH2 TRP A 59 0.992 4.525 1.660 1.00 0.00 C ATOM 0 H TRP A 59 -1.905 0.639 -3.901 1.00 0.00 H new ATOM 0 HA TRP A 59 -2.703 3.280 -3.677 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -3.183 1.716 -1.934 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.494 1.293 -1.733 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -4.035 4.014 -0.780 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -3.047 5.511 1.085 1.00 0.00 H new ATOM 0 HE3 TRP A 59 0.731 2.168 -0.782 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -0.557 5.824 2.355 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 2.368 3.121 0.793 1.00 0.00 H new ATOM 0 HH2 TRP A 59 1.729 4.924 2.341 1.00 0.00 H new ATOM 892 N ILE A 60 0.546 2.881 -3.371 1.00 0.00 N ATOM 893 CA ILE A 60 1.818 3.593 -3.345 1.00 0.00 C ATOM 894 C ILE A 60 1.926 4.567 -4.514 1.00 0.00 C ATOM 895 O ILE A 60 2.021 5.778 -4.320 1.00 0.00 O ATOM 896 CB ILE A 60 3.009 2.618 -3.392 1.00 0.00 C ATOM 897 CG1 ILE A 60 2.942 1.641 -2.217 1.00 0.00 C ATOM 898 CG2 ILE A 60 4.323 3.386 -3.375 1.00 0.00 C ATOM 899 CD1 ILE A 60 3.983 0.545 -2.282 1.00 0.00 C ATOM 0 H ILE A 60 0.631 1.867 -3.440 1.00 0.00 H new ATOM 0 HA ILE A 60 1.850 4.149 -2.408 1.00 0.00 H new ATOM 0 HB ILE A 60 2.956 2.047 -4.319 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.067 2.195 -1.287 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.951 1.188 -2.187 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.156 2.683 -3.409 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.370 4.046 -4.241 1.00 0.00 H new ATOM 0 HG23 ILE A 60 4.386 3.980 -2.463 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.876 -0.110 -1.417 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.845 -0.034 -3.195 1.00 0.00 H new ATOM 0 HD13 ILE A 60 4.979 0.988 -2.280 1.00 0.00 H new ATOM 911 N GLY A 61 1.909 4.028 -5.730 1.00 0.00 N ATOM 912 CA GLY A 61 2.005 4.863 -6.913 1.00 0.00 C ATOM 913 C GLY A 61 0.934 5.935 -6.953 1.00 0.00 C ATOM 914 O GLY A 61 1.222 7.099 -7.228 1.00 0.00 O ATOM 0 H GLY A 61 1.830 3.028 -5.916 1.00 0.00 H new ATOM 0 HA2 GLY A 61 2.988 5.334 -6.943 1.00 0.00 H new ATOM 0 HA3 GLY A 61 1.923 4.239 -7.803 1.00 0.00 H new ATOM 918 N ASN A 62 -0.306 5.542 -6.681 1.00 0.00 N ATOM 919 CA ASN A 62 -1.424 6.478 -6.689 1.00 0.00 C ATOM 920 C ASN A 62 -1.118 7.699 -5.828 1.00 0.00 C ATOM 921 O ASN A 62 -1.340 8.836 -6.244 1.00 0.00 O ATOM 922 CB ASN A 62 -2.695 5.791 -6.186 1.00 0.00 C ATOM 923 CG ASN A 62 -3.955 6.424 -6.746 1.00 0.00 C ATOM 924 OD1 ASN A 62 -4.174 7.627 -6.604 1.00 0.00 O ATOM 925 ND2 ASN A 62 -4.790 5.613 -7.386 1.00 0.00 N ATOM 0 H ASN A 62 -0.562 4.581 -6.452 1.00 0.00 H new ATOM 0 HA ASN A 62 -1.580 6.810 -7.716 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.668 4.737 -6.461 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.722 5.836 -5.097 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -5.654 5.981 -7.784 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -4.567 4.622 -7.480 1.00 0.00 H new ATOM 932 N ARG A 63 -0.607 7.455 -4.626 1.00 0.00 N ATOM 933 CA ARG A 63 -0.271 8.535 -3.705 1.00 0.00 C ATOM 934 C ARG A 63 0.879 9.376 -4.251 1.00 0.00 C ATOM 935 O ARG A 63 0.730 10.577 -4.477 1.00 0.00 O ATOM 936 CB ARG A 63 0.104 7.967 -2.335 1.00 0.00 C ATOM 937 CG ARG A 63 -0.218 8.901 -1.180 1.00 0.00 C ATOM 938 CD ARG A 63 -0.528 8.128 0.092 1.00 0.00 C ATOM 939 NE ARG A 63 0.673 7.864 0.879 1.00 0.00 N ATOM 940 CZ ARG A 63 1.268 8.776 1.641 1.00 0.00 C ATOM 941 NH1 ARG A 63 0.774 10.004 1.718 1.00 0.00 N ATOM 942 NH2 ARG A 63 2.358 8.460 2.328 1.00 0.00 N ATOM 0 H ARG A 63 -0.416 6.520 -4.267 1.00 0.00 H new ATOM 0 HA ARG A 63 -1.147 9.174 -3.598 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.422 7.024 -2.186 1.00 0.00 H new ATOM 0 HB3 ARG A 63 1.171 7.743 -2.324 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.625 9.569 -1.005 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.071 9.527 -1.444 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -1.239 8.692 0.695 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.007 7.184 -0.166 1.00 0.00 H new ATOM 0 HE ARG A 63 1.078 6.928 0.842 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.064 10.250 1.192 1.00 0.00 H new ATOM 0 HH12 ARG A 63 1.232 10.702 2.303 1.00 0.00 H new ATOM 0 HH21 ARG A 63 2.740 7.516 2.272 1.00 0.00 H new ATOM 0 HH22 ARG A 63 2.814 9.161 2.912 1.00 0.00 H new ATOM 956 N ARG A 64 2.026 8.738 -4.459 1.00 0.00 N ATOM 957 CA ARG A 64 3.202 9.427 -4.976 1.00 0.00 C ATOM 958 C ARG A 64 2.836 10.305 -6.170 1.00 0.00 C ATOM 959 O ARG A 64 3.250 11.461 -6.253 1.00 0.00 O ATOM 960 CB ARG A 64 4.275 8.416 -5.383 1.00 0.00 C ATOM 961 CG ARG A 64 5.098 7.898 -4.214 1.00 0.00 C ATOM 962 CD ARG A 64 6.458 7.395 -4.671 1.00 0.00 C ATOM 963 NE ARG A 64 7.448 8.467 -4.728 1.00 0.00 N ATOM 964 CZ ARG A 64 8.708 8.285 -5.108 1.00 0.00 C ATOM 965 NH1 ARG A 64 9.129 7.079 -5.463 1.00 0.00 N ATOM 966 NH2 ARG A 64 9.549 9.311 -5.134 1.00 0.00 N ATOM 0 H ARG A 64 2.166 7.744 -4.277 1.00 0.00 H new ATOM 0 HA ARG A 64 3.596 10.065 -4.184 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.797 7.573 -5.882 1.00 0.00 H new ATOM 0 HB3 ARG A 64 4.943 8.880 -6.109 1.00 0.00 H new ATOM 0 HG2 ARG A 64 5.231 8.693 -3.480 1.00 0.00 H new ATOM 0 HG3 ARG A 64 4.559 7.092 -3.717 1.00 0.00 H new ATOM 0 HD2 ARG A 64 6.804 6.618 -3.990 1.00 0.00 H new ATOM 0 HD3 ARG A 64 6.363 6.937 -5.655 1.00 0.00 H new ATOM 0 HE ARG A 64 7.156 9.407 -4.461 1.00 0.00 H new ATOM 0 HH11 ARG A 64 8.485 6.288 -5.445 1.00 0.00 H new ATOM 0 HH12 ARG A 64 10.097 6.942 -5.754 1.00 0.00 H new ATOM 0 HH21 ARG A 64 9.228 10.240 -4.862 1.00 0.00 H new ATOM 0 HH22 ARG A 64 10.516 9.170 -5.426 1.00 0.00 H new