USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 430 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 50 CYS SG : rot 132:sc= -0.0394 USER MOD Set 1.2: A 55 CYS SG : rot -174:sc= -0.945 USER MOD Set 1.3: A 68 HIS : no HE2:sc= -1.64 K(o=-2.9,f=-3.7) USER MOD Set 1.4: A 72 HIS : no HE2:sc= -0.244 X(o=-2.9,f=-3.1) USER MOD Set 2.1: A 20 CYS SG : rot -160:sc= 0.0499 USER MOD Set 2.2: A 25 CYS SG : rot 140:sc= -2.57 USER MOD Set 2.3: A 27 LYS NZ :NH3+ -127:sc= 0.929 (180deg=-1.1) USER MOD Set 2.4: A 29 TYR OH : rot 11:sc= 0.515 USER MOD Set 2.5: A 38 HIS : no HD1:sc= -1.55 K(o=-3.1,f=-3.7) USER MOD Set 2.6: A 42 HIS : no HE2:sc= -0.506 K(o=-3.1,f=-3.6) USER MOD Set 3.1: A 17 SER OG : rot 180:sc= -0.359 USER MOD Set 3.2: A 18 HIS : no HE2:sc= -5.7! C(o=-6.1!,f=-6.3!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 THR OG1 : rot 148:sc= -1.31 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= -0.158 USER MOD Single : A 34 HIS : no HD1:sc= -2.3! C(o=-2.3!,f=-2.2!) USER MOD Single : A 36 LYS NZ :NH3+ 149:sc= -0.616 (180deg=-1.79!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -68:sc= 1.16 USER MOD Single : A 46 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0074) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= -0.109 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 193 N ARG A 16 -4.508 1.367 8.474 1.00 0.00 N ATOM 194 CA ARG A 16 -5.251 0.259 9.063 1.00 0.00 C ATOM 195 C ARG A 16 -5.153 0.287 10.586 1.00 0.00 C ATOM 196 O ARG A 16 -4.083 0.067 11.153 1.00 0.00 O ATOM 197 CB ARG A 16 -4.723 -1.075 8.533 1.00 0.00 C ATOM 198 CG ARG A 16 -3.292 -1.374 8.950 1.00 0.00 C ATOM 199 CD ARG A 16 -2.680 -2.471 8.093 1.00 0.00 C ATOM 200 NE ARG A 16 -2.128 -1.948 6.847 1.00 0.00 N ATOM 201 CZ ARG A 16 -1.972 -2.679 5.748 1.00 0.00 C ATOM 202 NH1 ARG A 16 -2.327 -3.956 5.742 1.00 0.00 N ATOM 203 NH2 ARG A 16 -1.462 -2.131 4.652 1.00 0.00 N ATOM 0 HA ARG A 16 -6.298 0.366 8.781 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -5.370 -1.878 8.886 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.782 -1.073 7.445 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.691 -0.468 8.868 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -3.272 -1.675 9.997 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -1.893 -2.974 8.655 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.439 -3.220 7.867 1.00 0.00 H new ATOM 0 HE ARG A 16 -1.847 -0.968 6.818 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.721 -4.380 6.582 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -2.206 -4.515 4.897 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -1.189 -1.148 4.653 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.343 -2.693 3.809 1.00 0.00 H new ATOM 217 N SER A 17 -6.276 0.562 11.241 1.00 0.00 N ATOM 218 CA SER A 17 -6.317 0.624 12.697 1.00 0.00 C ATOM 219 C SER A 17 -6.832 -0.687 13.283 1.00 0.00 C ATOM 220 O SER A 17 -6.075 -1.454 13.880 1.00 0.00 O ATOM 221 CB SER A 17 -7.203 1.784 13.155 1.00 0.00 C ATOM 222 OG SER A 17 -8.528 1.633 12.674 1.00 0.00 O ATOM 0 H SER A 17 -7.170 0.746 10.786 1.00 0.00 H new ATOM 0 HA SER A 17 -5.301 0.788 13.057 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.211 1.832 14.244 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.788 2.726 12.797 1.00 0.00 H new ATOM 0 HG SER A 17 -9.075 2.386 12.981 1.00 0.00 H new ATOM 228 N HIS A 18 -8.125 -0.939 13.106 1.00 0.00 N ATOM 229 CA HIS A 18 -8.743 -2.158 13.616 1.00 0.00 C ATOM 230 C HIS A 18 -7.969 -3.392 13.160 1.00 0.00 C ATOM 231 O HIS A 18 -8.045 -3.790 11.998 1.00 0.00 O ATOM 232 CB HIS A 18 -10.196 -2.252 13.149 1.00 0.00 C ATOM 233 CG HIS A 18 -11.079 -1.188 13.721 1.00 0.00 C ATOM 234 ND1 HIS A 18 -12.060 -1.446 14.655 1.00 0.00 N ATOM 235 CD2 HIS A 18 -11.125 0.145 13.489 1.00 0.00 C ATOM 236 CE1 HIS A 18 -12.672 -0.319 14.972 1.00 0.00 C ATOM 237 NE2 HIS A 18 -12.124 0.662 14.278 1.00 0.00 N ATOM 0 H HIS A 18 -8.765 -0.316 12.614 1.00 0.00 H new ATOM 0 HA HIS A 18 -8.721 -2.119 14.705 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -10.224 -2.190 12.061 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -10.594 -3.229 13.423 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -12.279 -2.364 15.041 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -10.494 0.699 12.810 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -13.483 -0.217 15.678 1.00 0.00 H new ATOM 245 N ILE A 19 -7.224 -3.991 14.084 1.00 0.00 N ATOM 246 CA ILE A 19 -6.436 -5.177 13.776 1.00 0.00 C ATOM 247 C ILE A 19 -7.258 -6.448 13.971 1.00 0.00 C ATOM 248 O ILE A 19 -7.647 -6.782 15.091 1.00 0.00 O ATOM 249 CB ILE A 19 -5.173 -5.258 14.653 1.00 0.00 C ATOM 250 CG1 ILE A 19 -4.604 -3.857 14.896 1.00 0.00 C ATOM 251 CG2 ILE A 19 -4.130 -6.152 13.999 1.00 0.00 C ATOM 252 CD1 ILE A 19 -3.877 -3.286 13.699 1.00 0.00 C ATOM 0 H ILE A 19 -7.150 -3.674 15.051 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.138 -5.095 12.731 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.444 -5.693 15.615 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.417 -3.186 15.171 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.920 -3.893 15.744 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.243 -6.199 14.631 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.538 -7.155 13.872 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.860 -5.744 13.025 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.500 -2.292 13.942 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.042 -3.936 13.436 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.563 -3.217 12.855 1.00 0.00 H new ATOM 264 N CYS A 20 -7.517 -7.152 12.875 1.00 0.00 N ATOM 265 CA CYS A 20 -8.291 -8.386 12.924 1.00 0.00 C ATOM 266 C CYS A 20 -7.719 -9.346 13.964 1.00 0.00 C ATOM 267 O CYS A 20 -6.635 -9.900 13.782 1.00 0.00 O ATOM 268 CB CYS A 20 -8.307 -9.058 11.548 1.00 0.00 C ATOM 269 SG CYS A 20 -9.088 -10.703 11.533 1.00 0.00 S ATOM 0 H CYS A 20 -7.202 -6.889 11.941 1.00 0.00 H new ATOM 0 HA CYS A 20 -9.312 -8.134 13.210 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -8.833 -8.411 10.846 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -7.282 -9.151 11.189 1.00 0.00 H new ATOM 0 HG CYS A 20 -8.693 -11.361 10.484 1.00 0.00 H new ATOM 274 N SER A 21 -8.457 -9.538 15.053 1.00 0.00 N ATOM 275 CA SER A 21 -8.024 -10.427 16.123 1.00 0.00 C ATOM 276 C SER A 21 -7.421 -11.708 15.555 1.00 0.00 C ATOM 277 O SER A 21 -6.356 -12.151 15.984 1.00 0.00 O ATOM 278 CB SER A 21 -9.199 -10.766 17.042 1.00 0.00 C ATOM 279 OG SER A 21 -9.693 -9.605 17.687 1.00 0.00 O ATOM 0 H SER A 21 -9.358 -9.089 15.217 1.00 0.00 H new ATOM 0 HA SER A 21 -7.258 -9.911 16.702 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.996 -11.231 16.462 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.882 -11.494 17.789 1.00 0.00 H new ATOM 0 HG SER A 21 -10.444 -9.848 18.267 1.00 0.00 H new ATOM 285 N HIS A 22 -8.111 -12.299 14.584 1.00 0.00 N ATOM 286 CA HIS A 22 -7.646 -13.530 13.955 1.00 0.00 C ATOM 287 C HIS A 22 -6.205 -13.383 13.474 1.00 0.00 C ATOM 288 O HIS A 22 -5.904 -12.608 12.566 1.00 0.00 O ATOM 289 CB HIS A 22 -8.552 -13.901 12.781 1.00 0.00 C ATOM 290 CG HIS A 22 -8.636 -15.376 12.532 1.00 0.00 C ATOM 291 ND1 HIS A 22 -9.808 -16.093 12.647 1.00 0.00 N ATOM 292 CD2 HIS A 22 -7.684 -16.269 12.171 1.00 0.00 C ATOM 293 CE1 HIS A 22 -9.573 -17.363 12.369 1.00 0.00 C ATOM 294 NE2 HIS A 22 -8.292 -17.496 12.077 1.00 0.00 N ATOM 0 H HIS A 22 -8.994 -11.945 14.216 1.00 0.00 H new ATOM 0 HA HIS A 22 -7.683 -14.326 14.699 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -9.554 -13.515 12.970 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -8.185 -13.409 11.880 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -6.641 -16.055 11.991 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -10.304 -18.158 12.379 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -7.829 -18.369 11.823 1.00 0.00 H new ATOM 302 N PRO A 23 -5.292 -14.142 14.098 1.00 0.00 N ATOM 303 CA PRO A 23 -3.868 -14.114 13.751 1.00 0.00 C ATOM 304 C PRO A 23 -3.593 -14.732 12.384 1.00 0.00 C ATOM 305 O PRO A 23 -2.935 -14.126 11.539 1.00 0.00 O ATOM 306 CB PRO A 23 -3.217 -14.950 14.856 1.00 0.00 C ATOM 307 CG PRO A 23 -4.298 -15.860 15.329 1.00 0.00 C ATOM 308 CD PRO A 23 -5.580 -15.088 15.190 1.00 0.00 C ATOM 0 HA PRO A 23 -3.484 -13.096 13.686 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -2.364 -15.512 14.476 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -2.848 -14.319 15.665 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -4.326 -16.774 14.735 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -4.132 -16.158 16.364 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -6.418 -15.741 14.945 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -5.839 -14.569 16.113 1.00 0.00 H new ATOM 316 N GLY A 24 -4.100 -15.943 12.174 1.00 0.00 N ATOM 317 CA GLY A 24 -3.897 -16.622 10.908 1.00 0.00 C ATOM 318 C GLY A 24 -4.242 -15.747 9.718 1.00 0.00 C ATOM 319 O GLY A 24 -3.647 -15.878 8.648 1.00 0.00 O ATOM 0 H GLY A 24 -4.647 -16.466 12.858 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.857 -16.939 10.832 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.508 -17.524 10.881 1.00 0.00 H new ATOM 323 N CYS A 25 -5.207 -14.853 9.905 1.00 0.00 N ATOM 324 CA CYS A 25 -5.633 -13.954 8.838 1.00 0.00 C ATOM 325 C CYS A 25 -4.754 -12.707 8.796 1.00 0.00 C ATOM 326 O CYS A 25 -4.252 -12.323 7.740 1.00 0.00 O ATOM 327 CB CYS A 25 -7.096 -13.554 9.034 1.00 0.00 C ATOM 328 SG CYS A 25 -7.549 -11.978 8.240 1.00 0.00 S ATOM 0 H CYS A 25 -5.709 -14.731 10.785 1.00 0.00 H new ATOM 0 HA CYS A 25 -5.532 -14.481 7.889 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -7.734 -14.344 8.638 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -7.302 -13.483 10.102 1.00 0.00 H new ATOM 0 HG CYS A 25 -8.730 -12.085 7.706 1.00 0.00 H new ATOM 333 N GLY A 26 -4.573 -12.077 9.953 1.00 0.00 N ATOM 334 CA GLY A 26 -3.756 -10.881 10.027 1.00 0.00 C ATOM 335 C GLY A 26 -4.170 -9.832 9.012 1.00 0.00 C ATOM 336 O GLY A 26 -3.451 -9.574 8.048 1.00 0.00 O ATOM 0 H GLY A 26 -4.978 -12.374 10.841 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.825 -10.459 11.030 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.712 -11.147 9.864 1.00 0.00 H new ATOM 340 N LYS A 27 -5.333 -9.229 9.229 1.00 0.00 N ATOM 341 CA LYS A 27 -5.843 -8.203 8.327 1.00 0.00 C ATOM 342 C LYS A 27 -6.347 -6.993 9.107 1.00 0.00 C ATOM 343 O LYS A 27 -7.005 -7.136 10.138 1.00 0.00 O ATOM 344 CB LYS A 27 -6.970 -8.771 7.461 1.00 0.00 C ATOM 345 CG LYS A 27 -6.484 -9.687 6.353 1.00 0.00 C ATOM 346 CD LYS A 27 -5.769 -8.911 5.261 1.00 0.00 C ATOM 347 CE LYS A 27 -6.741 -8.414 4.202 1.00 0.00 C ATOM 348 NZ LYS A 27 -7.270 -7.059 4.528 1.00 0.00 N ATOM 0 H LYS A 27 -5.941 -9.433 10.022 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.024 -7.882 7.683 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -7.663 -9.321 8.097 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.529 -7.946 7.020 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.810 -10.436 6.769 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -7.331 -10.223 5.925 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.243 -8.063 5.700 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -5.016 -9.546 4.795 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.241 -8.386 3.234 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.570 -9.116 4.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.310 -7.077 4.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -6.952 -6.782 5.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -6.918 -6.372 3.831 1.00 0.00 H new ATOM 362 N THR A 28 -6.035 -5.801 8.609 1.00 0.00 N ATOM 363 CA THR A 28 -6.456 -4.567 9.259 1.00 0.00 C ATOM 364 C THR A 28 -6.885 -3.523 8.233 1.00 0.00 C ATOM 365 O THR A 28 -6.281 -3.400 7.168 1.00 0.00 O ATOM 366 CB THR A 28 -5.331 -3.979 10.131 1.00 0.00 C ATOM 367 OG1 THR A 28 -4.771 -5.001 10.964 1.00 0.00 O ATOM 368 CG2 THR A 28 -5.854 -2.842 10.997 1.00 0.00 C ATOM 0 H THR A 28 -5.492 -5.664 7.757 1.00 0.00 H new ATOM 0 HA THR A 28 -7.305 -4.819 9.894 1.00 0.00 H new ATOM 0 HB THR A 28 -4.559 -3.585 9.470 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.819 -4.819 11.110 1.00 0.00 H new ATOM 0 HG21 THR A 28 -5.041 -2.443 11.604 1.00 0.00 H new ATOM 0 HG22 THR A 28 -6.252 -2.053 10.360 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.644 -3.215 11.649 1.00 0.00 H new ATOM 376 N TYR A 29 -7.933 -2.775 8.561 1.00 0.00 N ATOM 377 CA TYR A 29 -8.444 -1.743 7.667 1.00 0.00 C ATOM 378 C TYR A 29 -8.437 -0.378 8.349 1.00 0.00 C ATOM 379 O TYR A 29 -8.690 -0.270 9.549 1.00 0.00 O ATOM 380 CB TYR A 29 -9.863 -2.091 7.212 1.00 0.00 C ATOM 381 CG TYR A 29 -9.932 -3.318 6.333 1.00 0.00 C ATOM 382 CD1 TYR A 29 -9.994 -4.592 6.887 1.00 0.00 C ATOM 383 CD2 TYR A 29 -9.937 -3.207 4.948 1.00 0.00 C ATOM 384 CE1 TYR A 29 -10.056 -5.717 6.088 1.00 0.00 C ATOM 385 CE2 TYR A 29 -10.001 -4.326 4.141 1.00 0.00 C ATOM 386 CZ TYR A 29 -10.061 -5.578 4.715 1.00 0.00 C ATOM 387 OH TYR A 29 -10.123 -6.696 3.915 1.00 0.00 O ATOM 0 H TYR A 29 -8.445 -2.864 9.439 1.00 0.00 H new ATOM 0 HA TYR A 29 -7.791 -1.696 6.796 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -10.489 -2.248 8.090 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -10.280 -1.242 6.670 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -9.994 -4.704 7.961 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -9.890 -2.228 4.494 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -10.100 -6.699 6.535 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -10.004 -4.221 3.066 1.00 0.00 H new ATOM 0 HH TYR A 29 -10.332 -7.480 4.464 1.00 0.00 H new ATOM 397 N PHE A 30 -8.146 0.662 7.575 1.00 0.00 N ATOM 398 CA PHE A 30 -8.105 2.020 8.103 1.00 0.00 C ATOM 399 C PHE A 30 -9.494 2.477 8.538 1.00 0.00 C ATOM 400 O PHE A 30 -9.688 2.921 9.669 1.00 0.00 O ATOM 401 CB PHE A 30 -7.546 2.981 7.051 1.00 0.00 C ATOM 402 CG PHE A 30 -7.784 2.529 5.639 1.00 0.00 C ATOM 403 CD1 PHE A 30 -6.931 1.619 5.036 1.00 0.00 C ATOM 404 CD2 PHE A 30 -8.860 3.015 4.914 1.00 0.00 C ATOM 405 CE1 PHE A 30 -7.146 1.201 3.737 1.00 0.00 C ATOM 406 CE2 PHE A 30 -9.081 2.600 3.614 1.00 0.00 C ATOM 407 CZ PHE A 30 -8.222 1.693 3.024 1.00 0.00 C ATOM 0 H PHE A 30 -7.935 0.590 6.580 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.451 2.025 8.975 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.998 3.963 7.191 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -6.474 3.098 7.211 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -6.088 1.232 5.588 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -9.533 3.726 5.369 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -6.474 0.490 3.279 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -9.925 2.985 3.060 1.00 0.00 H new ATOM 0 HZ PHE A 30 -8.391 1.369 2.008 1.00 0.00 H new ATOM 417 N LYS A 31 -10.459 2.364 7.631 1.00 0.00 N ATOM 418 CA LYS A 31 -11.831 2.764 7.919 1.00 0.00 C ATOM 419 C LYS A 31 -12.396 1.965 9.090 1.00 0.00 C ATOM 420 O LYS A 31 -12.778 0.806 8.936 1.00 0.00 O ATOM 421 CB LYS A 31 -12.712 2.567 6.683 1.00 0.00 C ATOM 422 CG LYS A 31 -12.518 3.635 5.622 1.00 0.00 C ATOM 423 CD LYS A 31 -13.383 4.855 5.893 1.00 0.00 C ATOM 424 CE LYS A 31 -13.151 5.945 4.859 1.00 0.00 C ATOM 425 NZ LYS A 31 -13.983 7.150 5.127 1.00 0.00 N ATOM 0 H LYS A 31 -10.316 1.998 6.690 1.00 0.00 H new ATOM 0 HA LYS A 31 -11.826 3.820 8.190 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -12.499 1.591 6.247 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -13.758 2.558 6.990 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -11.470 3.931 5.590 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -12.763 3.225 4.642 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -14.434 4.565 5.888 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -13.164 5.243 6.888 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -12.097 6.224 4.856 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -13.381 5.558 3.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -13.796 7.870 4.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -14.989 6.889 5.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -13.746 7.534 6.064 1.00 0.00 H new ATOM 439 N SER A 32 -12.447 2.596 10.260 1.00 0.00 N ATOM 440 CA SER A 32 -12.962 1.944 11.457 1.00 0.00 C ATOM 441 C SER A 32 -14.168 1.070 11.124 1.00 0.00 C ATOM 442 O SER A 32 -14.464 0.106 11.829 1.00 0.00 O ATOM 443 CB SER A 32 -13.350 2.989 12.505 1.00 0.00 C ATOM 444 OG SER A 32 -14.198 3.979 11.950 1.00 0.00 O ATOM 0 H SER A 32 -12.138 3.557 10.403 1.00 0.00 H new ATOM 0 HA SER A 32 -12.175 1.308 11.862 1.00 0.00 H new ATOM 0 HB2 SER A 32 -13.853 2.501 13.340 1.00 0.00 H new ATOM 0 HB3 SER A 32 -12.451 3.458 12.905 1.00 0.00 H new ATOM 0 HG SER A 32 -14.433 4.633 12.641 1.00 0.00 H new ATOM 450 N SER A 33 -14.861 1.416 10.043 1.00 0.00 N ATOM 451 CA SER A 33 -16.037 0.666 9.617 1.00 0.00 C ATOM 452 C SER A 33 -15.636 -0.538 8.770 1.00 0.00 C ATOM 453 O SER A 33 -16.088 -1.658 9.008 1.00 0.00 O ATOM 454 CB SER A 33 -16.983 1.569 8.824 1.00 0.00 C ATOM 455 OG SER A 33 -16.389 1.986 7.607 1.00 0.00 O ATOM 0 H SER A 33 -14.628 2.210 9.447 1.00 0.00 H new ATOM 0 HA SER A 33 -16.551 0.306 10.508 1.00 0.00 H new ATOM 0 HB2 SER A 33 -17.910 1.036 8.616 1.00 0.00 H new ATOM 0 HB3 SER A 33 -17.245 2.442 9.422 1.00 0.00 H new ATOM 0 HG SER A 33 -17.014 2.561 7.118 1.00 0.00 H new ATOM 461 N HIS A 34 -14.782 -0.299 7.779 1.00 0.00 N ATOM 462 CA HIS A 34 -14.319 -1.363 6.896 1.00 0.00 C ATOM 463 C HIS A 34 -14.223 -2.688 7.646 1.00 0.00 C ATOM 464 O HIS A 34 -14.871 -3.670 7.278 1.00 0.00 O ATOM 465 CB HIS A 34 -12.959 -1.003 6.299 1.00 0.00 C ATOM 466 CG HIS A 34 -13.050 -0.325 4.965 1.00 0.00 C ATOM 467 ND1 HIS A 34 -11.996 -0.261 4.080 1.00 0.00 N ATOM 468 CD2 HIS A 34 -14.081 0.318 4.369 1.00 0.00 C ATOM 469 CE1 HIS A 34 -12.373 0.394 2.996 1.00 0.00 C ATOM 470 NE2 HIS A 34 -13.634 0.756 3.146 1.00 0.00 N ATOM 0 H HIS A 34 -14.397 0.622 7.568 1.00 0.00 H new ATOM 0 HA HIS A 34 -15.044 -1.473 6.090 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -12.428 -0.351 6.993 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -12.365 -1.911 6.196 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -15.070 0.460 4.778 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -11.755 0.598 2.134 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -14.186 1.276 2.465 1.00 0.00 H new ATOM 478 N LEU A 35 -13.412 -2.710 8.696 1.00 0.00 N ATOM 479 CA LEU A 35 -13.230 -3.916 9.498 1.00 0.00 C ATOM 480 C LEU A 35 -14.520 -4.729 9.559 1.00 0.00 C ATOM 481 O LEU A 35 -14.550 -5.895 9.165 1.00 0.00 O ATOM 482 CB LEU A 35 -12.779 -3.548 10.914 1.00 0.00 C ATOM 483 CG LEU A 35 -12.648 -4.710 11.899 1.00 0.00 C ATOM 484 CD1 LEU A 35 -11.290 -5.380 11.755 1.00 0.00 C ATOM 485 CD2 LEU A 35 -12.857 -4.225 13.326 1.00 0.00 C ATOM 0 H LEU A 35 -12.869 -1.907 9.013 1.00 0.00 H new ATOM 0 HA LEU A 35 -12.460 -4.525 9.024 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -11.815 -3.044 10.847 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -13.487 -2.828 11.324 1.00 0.00 H new ATOM 0 HG LEU A 35 -13.419 -5.445 11.670 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -11.214 -6.205 12.464 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -11.179 -5.762 10.740 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -10.503 -4.654 11.958 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -12.760 -5.065 14.014 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -12.108 -3.471 13.567 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -13.853 -3.791 13.421 1.00 0.00 H new ATOM 497 N LYS A 36 -15.585 -4.104 10.052 1.00 0.00 N ATOM 498 CA LYS A 36 -16.878 -4.767 10.160 1.00 0.00 C ATOM 499 C LYS A 36 -17.184 -5.575 8.904 1.00 0.00 C ATOM 500 O LYS A 36 -17.646 -6.713 8.983 1.00 0.00 O ATOM 501 CB LYS A 36 -17.985 -3.736 10.397 1.00 0.00 C ATOM 502 CG LYS A 36 -19.293 -4.346 10.870 1.00 0.00 C ATOM 503 CD LYS A 36 -20.311 -3.274 11.226 1.00 0.00 C ATOM 504 CE LYS A 36 -20.208 -2.872 12.689 1.00 0.00 C ATOM 505 NZ LYS A 36 -18.998 -2.044 12.952 1.00 0.00 N ATOM 0 H LYS A 36 -15.577 -3.139 10.383 1.00 0.00 H new ATOM 0 HA LYS A 36 -16.837 -5.450 11.008 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -17.643 -3.012 11.136 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -18.163 -3.187 9.472 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -19.699 -4.990 10.090 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -19.108 -4.977 11.739 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -20.155 -2.399 10.595 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -21.316 -3.642 11.018 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -21.099 -2.314 12.976 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -20.178 -3.767 13.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -19.194 -1.380 13.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -18.205 -2.663 13.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -18.750 -1.510 12.095 1.00 0.00 H new ATOM 519 N ALA A 37 -16.919 -4.981 7.744 1.00 0.00 N ATOM 520 CA ALA A 37 -17.162 -5.647 6.471 1.00 0.00 C ATOM 521 C ALA A 37 -16.240 -6.850 6.296 1.00 0.00 C ATOM 522 O ALA A 37 -16.640 -7.875 5.743 1.00 0.00 O ATOM 523 CB ALA A 37 -16.980 -4.669 5.320 1.00 0.00 C ATOM 0 H ALA A 37 -16.536 -4.039 7.661 1.00 0.00 H new ATOM 0 HA ALA A 37 -18.191 -6.007 6.468 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -17.165 -5.180 4.375 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -17.683 -3.844 5.429 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -15.961 -4.281 5.330 1.00 0.00 H new ATOM 529 N HIS A 38 -15.005 -6.717 6.769 1.00 0.00 N ATOM 530 CA HIS A 38 -14.026 -7.793 6.665 1.00 0.00 C ATOM 531 C HIS A 38 -14.387 -8.948 7.595 1.00 0.00 C ATOM 532 O HIS A 38 -14.593 -10.077 7.149 1.00 0.00 O ATOM 533 CB HIS A 38 -12.628 -7.273 6.998 1.00 0.00 C ATOM 534 CG HIS A 38 -11.643 -8.358 7.310 1.00 0.00 C ATOM 535 ND1 HIS A 38 -10.826 -8.930 6.358 1.00 0.00 N ATOM 536 CD2 HIS A 38 -11.348 -8.976 8.478 1.00 0.00 C ATOM 537 CE1 HIS A 38 -10.070 -9.852 6.926 1.00 0.00 C ATOM 538 NE2 HIS A 38 -10.368 -9.900 8.212 1.00 0.00 N ATOM 0 H HIS A 38 -14.658 -5.875 7.228 1.00 0.00 H new ATOM 0 HA HIS A 38 -14.034 -8.160 5.639 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -12.257 -6.688 6.156 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -12.694 -6.598 7.851 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -11.799 -8.779 9.439 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -9.334 -10.463 6.425 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -9.939 -10.523 8.897 1.00 0.00 H new ATOM 546 N THR A 39 -14.461 -8.658 8.890 1.00 0.00 N ATOM 547 CA THR A 39 -14.795 -9.671 9.883 1.00 0.00 C ATOM 548 C THR A 39 -15.904 -10.588 9.381 1.00 0.00 C ATOM 549 O THR A 39 -15.948 -11.770 9.724 1.00 0.00 O ATOM 550 CB THR A 39 -15.235 -9.031 11.213 1.00 0.00 C ATOM 551 OG1 THR A 39 -14.232 -8.121 11.676 1.00 0.00 O ATOM 552 CG2 THR A 39 -15.487 -10.097 12.268 1.00 0.00 C ATOM 0 H THR A 39 -14.294 -7.729 9.276 1.00 0.00 H new ATOM 0 HA THR A 39 -13.892 -10.257 10.053 1.00 0.00 H new ATOM 0 HB THR A 39 -16.164 -8.487 11.039 1.00 0.00 H new ATOM 0 HG1 THR A 39 -14.521 -7.718 12.521 1.00 0.00 H new ATOM 0 HG21 THR A 39 -15.797 -9.622 13.199 1.00 0.00 H new ATOM 0 HG22 THR A 39 -16.273 -10.770 11.925 1.00 0.00 H new ATOM 0 HG23 THR A 39 -14.572 -10.665 12.437 1.00 0.00 H new ATOM 560 N ARG A 40 -16.798 -10.037 8.566 1.00 0.00 N ATOM 561 CA ARG A 40 -17.908 -10.806 8.017 1.00 0.00 C ATOM 562 C ARG A 40 -17.398 -11.964 7.165 1.00 0.00 C ATOM 563 O ARG A 40 -17.900 -13.085 7.256 1.00 0.00 O ATOM 564 CB ARG A 40 -18.817 -9.903 7.180 1.00 0.00 C ATOM 565 CG ARG A 40 -19.922 -9.239 7.983 1.00 0.00 C ATOM 566 CD ARG A 40 -20.947 -8.575 7.077 1.00 0.00 C ATOM 567 NE ARG A 40 -20.604 -7.185 6.787 1.00 0.00 N ATOM 568 CZ ARG A 40 -21.314 -6.406 5.978 1.00 0.00 C ATOM 569 NH1 ARG A 40 -22.401 -6.878 5.384 1.00 0.00 N ATOM 570 NH2 ARG A 40 -20.937 -5.152 5.765 1.00 0.00 N ATOM 0 H ARG A 40 -16.775 -9.061 8.271 1.00 0.00 H new ATOM 0 HA ARG A 40 -18.481 -11.215 8.849 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -18.211 -9.132 6.705 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -19.265 -10.493 6.381 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -20.416 -9.982 8.609 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -19.490 -8.495 8.652 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -21.020 -9.132 6.143 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -21.928 -8.615 7.550 1.00 0.00 H new ATOM 0 HE ARG A 40 -19.774 -6.791 7.230 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -22.694 -7.841 5.548 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -22.944 -6.278 4.763 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -20.102 -4.786 6.222 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -21.482 -4.554 5.144 1.00 0.00 H new ATOM 584 N THR A 41 -16.397 -11.686 6.336 1.00 0.00 N ATOM 585 CA THR A 41 -15.820 -12.702 5.465 1.00 0.00 C ATOM 586 C THR A 41 -15.522 -13.983 6.238 1.00 0.00 C ATOM 587 O THR A 41 -15.626 -15.084 5.697 1.00 0.00 O ATOM 588 CB THR A 41 -14.522 -12.204 4.802 1.00 0.00 C ATOM 589 OG1 THR A 41 -13.468 -12.147 5.769 1.00 0.00 O ATOM 590 CG2 THR A 41 -14.726 -10.829 4.183 1.00 0.00 C ATOM 0 H THR A 41 -15.969 -10.764 6.250 1.00 0.00 H new ATOM 0 HA THR A 41 -16.558 -12.910 4.690 1.00 0.00 H new ATOM 0 HB THR A 41 -14.250 -12.904 4.012 1.00 0.00 H new ATOM 0 HG1 THR A 41 -13.662 -11.444 6.424 1.00 0.00 H new ATOM 0 HG21 THR A 41 -13.797 -10.497 3.720 1.00 0.00 H new ATOM 0 HG22 THR A 41 -15.509 -10.883 3.426 1.00 0.00 H new ATOM 0 HG23 THR A 41 -15.019 -10.121 4.958 1.00 0.00 H new ATOM 598 N HIS A 42 -15.154 -13.831 7.506 1.00 0.00 N ATOM 599 CA HIS A 42 -14.842 -14.976 8.354 1.00 0.00 C ATOM 600 C HIS A 42 -16.104 -15.769 8.681 1.00 0.00 C ATOM 601 O HIS A 42 -16.197 -16.960 8.382 1.00 0.00 O ATOM 602 CB HIS A 42 -14.168 -14.513 9.646 1.00 0.00 C ATOM 603 CG HIS A 42 -12.785 -13.978 9.441 1.00 0.00 C ATOM 604 ND1 HIS A 42 -11.760 -14.728 8.901 1.00 0.00 N ATOM 605 CD2 HIS A 42 -12.258 -12.760 9.706 1.00 0.00 C ATOM 606 CE1 HIS A 42 -10.664 -13.993 8.844 1.00 0.00 C ATOM 607 NE2 HIS A 42 -10.938 -12.795 9.326 1.00 0.00 N ATOM 0 H HIS A 42 -15.065 -12.927 7.969 1.00 0.00 H new ATOM 0 HA HIS A 42 -14.157 -15.625 7.808 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -14.782 -13.741 10.110 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -14.126 -15.349 10.344 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -11.837 -15.698 8.594 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -12.778 -11.917 10.136 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -9.705 -14.317 8.467 1.00 0.00 H new ATOM 651 N LYS A 46 -24.988 -19.393 5.933 1.00 0.00 N ATOM 652 CA LYS A 46 -25.433 -20.768 5.747 1.00 0.00 C ATOM 653 C LYS A 46 -26.955 -20.859 5.792 1.00 0.00 C ATOM 654 O LYS A 46 -27.531 -21.704 6.477 1.00 0.00 O ATOM 655 CB LYS A 46 -24.826 -21.673 6.822 1.00 0.00 C ATOM 656 CG LYS A 46 -23.309 -21.726 6.787 1.00 0.00 C ATOM 657 CD LYS A 46 -22.770 -22.844 7.665 1.00 0.00 C ATOM 658 CE LYS A 46 -21.276 -23.044 7.456 1.00 0.00 C ATOM 659 NZ LYS A 46 -20.490 -21.862 7.906 1.00 0.00 N ATOM 0 HA LYS A 46 -25.095 -21.102 4.766 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -25.146 -21.323 7.803 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -25.219 -22.682 6.700 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -22.973 -21.874 5.761 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -22.903 -20.771 7.121 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -22.964 -22.612 8.712 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -23.297 -23.771 7.441 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -20.948 -23.928 8.003 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -21.079 -23.231 6.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -19.475 -22.051 7.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -20.761 -21.030 7.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -20.684 -21.678 8.911 1.00 0.00 H new ATOM 673 N PRO A 47 -27.623 -19.967 5.044 1.00 0.00 N ATOM 674 CA PRO A 47 -29.088 -19.927 4.981 1.00 0.00 C ATOM 675 C PRO A 47 -29.669 -21.129 4.244 1.00 0.00 C ATOM 676 O PRO A 47 -30.873 -21.380 4.299 1.00 0.00 O ATOM 677 CB PRO A 47 -29.374 -18.636 4.209 1.00 0.00 C ATOM 678 CG PRO A 47 -28.152 -18.406 3.389 1.00 0.00 C ATOM 679 CD PRO A 47 -27.001 -18.931 4.204 1.00 0.00 C ATOM 0 HA PRO A 47 -29.540 -19.956 5.972 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -30.259 -18.738 3.581 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -29.559 -17.802 4.886 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -28.221 -18.924 2.432 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -28.023 -17.346 3.169 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -26.216 -19.345 3.571 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -26.544 -18.146 4.806 1.00 0.00 H new ATOM 687 N PHE A 48 -28.807 -21.868 3.554 1.00 0.00 N ATOM 688 CA PHE A 48 -29.235 -23.043 2.805 1.00 0.00 C ATOM 689 C PHE A 48 -28.792 -24.325 3.504 1.00 0.00 C ATOM 690 O PHE A 48 -27.976 -24.292 4.427 1.00 0.00 O ATOM 691 CB PHE A 48 -28.670 -23.003 1.384 1.00 0.00 C ATOM 692 CG PHE A 48 -29.377 -22.028 0.486 1.00 0.00 C ATOM 693 CD1 PHE A 48 -28.952 -20.712 0.399 1.00 0.00 C ATOM 694 CD2 PHE A 48 -30.467 -22.428 -0.270 1.00 0.00 C ATOM 695 CE1 PHE A 48 -29.602 -19.813 -0.427 1.00 0.00 C ATOM 696 CE2 PHE A 48 -31.120 -21.533 -1.098 1.00 0.00 C ATOM 697 CZ PHE A 48 -30.686 -20.225 -1.176 1.00 0.00 C ATOM 0 H PHE A 48 -27.807 -21.674 3.498 1.00 0.00 H new ATOM 0 HA PHE A 48 -30.324 -23.034 2.756 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -27.613 -22.743 1.429 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -28.735 -24.000 0.948 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -28.104 -20.385 0.982 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -30.811 -23.450 -0.212 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -29.262 -18.790 -0.486 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -31.968 -21.857 -1.683 1.00 0.00 H new ATOM 0 HZ PHE A 48 -31.194 -19.525 -1.822 1.00 0.00 H new ATOM 707 N SER A 49 -29.333 -25.454 3.058 1.00 0.00 N ATOM 708 CA SER A 49 -28.997 -26.747 3.642 1.00 0.00 C ATOM 709 C SER A 49 -29.396 -27.886 2.708 1.00 0.00 C ATOM 710 O SER A 49 -30.155 -27.688 1.759 1.00 0.00 O ATOM 711 CB SER A 49 -29.692 -26.915 4.995 1.00 0.00 C ATOM 712 OG SER A 49 -31.096 -27.025 4.837 1.00 0.00 O ATOM 0 H SER A 49 -30.007 -25.499 2.293 1.00 0.00 H new ATOM 0 HA SER A 49 -27.917 -26.782 3.789 1.00 0.00 H new ATOM 0 HB2 SER A 49 -29.309 -27.804 5.496 1.00 0.00 H new ATOM 0 HB3 SER A 49 -29.460 -26.063 5.635 1.00 0.00 H new ATOM 0 HG SER A 49 -31.517 -27.133 5.716 1.00 0.00 H new ATOM 718 N CYS A 50 -28.878 -29.078 2.984 1.00 0.00 N ATOM 719 CA CYS A 50 -29.178 -30.249 2.170 1.00 0.00 C ATOM 720 C CYS A 50 -30.649 -30.636 2.294 1.00 0.00 C ATOM 721 O CYS A 50 -31.349 -30.173 3.195 1.00 0.00 O ATOM 722 CB CYS A 50 -28.293 -31.426 2.586 1.00 0.00 C ATOM 723 SG CYS A 50 -28.311 -32.821 1.415 1.00 0.00 S ATOM 0 H CYS A 50 -28.248 -29.258 3.766 1.00 0.00 H new ATOM 0 HA CYS A 50 -28.973 -29.999 1.129 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -27.268 -31.074 2.699 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -28.617 -31.782 3.564 1.00 0.00 H new ATOM 0 HG CYS A 50 -27.090 -33.187 1.157 1.00 0.00 H new ATOM 728 N SER A 51 -31.110 -31.488 1.385 1.00 0.00 N ATOM 729 CA SER A 51 -32.498 -31.934 1.389 1.00 0.00 C ATOM 730 C SER A 51 -32.662 -33.189 2.243 1.00 0.00 C ATOM 731 O SER A 51 -33.577 -33.281 3.061 1.00 0.00 O ATOM 732 CB SER A 51 -32.974 -32.210 -0.038 1.00 0.00 C ATOM 733 OG SER A 51 -32.269 -33.299 -0.609 1.00 0.00 O ATOM 0 H SER A 51 -30.542 -31.884 0.636 1.00 0.00 H new ATOM 0 HA SER A 51 -33.107 -31.139 1.819 1.00 0.00 H new ATOM 0 HB2 SER A 51 -34.042 -32.427 -0.033 1.00 0.00 H new ATOM 0 HB3 SER A 51 -32.832 -31.320 -0.651 1.00 0.00 H new ATOM 0 HG SER A 51 -32.593 -33.456 -1.520 1.00 0.00 H new ATOM 739 N TRP A 52 -31.770 -34.152 2.043 1.00 0.00 N ATOM 740 CA TRP A 52 -31.814 -35.402 2.794 1.00 0.00 C ATOM 741 C TRP A 52 -31.784 -35.137 4.295 1.00 0.00 C ATOM 742 O TRP A 52 -30.878 -34.474 4.800 1.00 0.00 O ATOM 743 CB TRP A 52 -30.641 -36.301 2.398 1.00 0.00 C ATOM 744 CG TRP A 52 -30.867 -37.747 2.719 1.00 0.00 C ATOM 745 CD1 TRP A 52 -30.055 -38.558 3.460 1.00 0.00 C ATOM 746 CD2 TRP A 52 -31.976 -38.554 2.307 1.00 0.00 C ATOM 747 NE1 TRP A 52 -30.593 -39.821 3.534 1.00 0.00 N ATOM 748 CE2 TRP A 52 -31.772 -39.844 2.835 1.00 0.00 C ATOM 749 CE3 TRP A 52 -33.122 -38.312 1.545 1.00 0.00 C ATOM 750 CZ2 TRP A 52 -32.671 -40.886 2.624 1.00 0.00 C ATOM 751 CZ3 TRP A 52 -34.014 -39.347 1.336 1.00 0.00 C ATOM 752 CH2 TRP A 52 -33.785 -40.620 1.874 1.00 0.00 C ATOM 0 H TRP A 52 -31.008 -34.092 1.368 1.00 0.00 H new ATOM 0 HA TRP A 52 -32.748 -35.909 2.553 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -30.458 -36.198 1.328 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -29.741 -35.959 2.910 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -29.127 -38.252 3.920 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -30.182 -40.612 4.029 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -33.307 -37.334 1.127 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -32.496 -41.868 3.037 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -34.903 -39.171 0.748 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -34.502 -41.407 1.693 1.00 0.00 H new ATOM 763 N LYS A 53 -32.779 -35.660 5.004 1.00 0.00 N ATOM 764 CA LYS A 53 -32.866 -35.482 6.448 1.00 0.00 C ATOM 765 C LYS A 53 -31.602 -35.989 7.137 1.00 0.00 C ATOM 766 O LYS A 53 -30.883 -35.224 7.777 1.00 0.00 O ATOM 767 CB LYS A 53 -34.089 -36.216 7.001 1.00 0.00 C ATOM 768 CG LYS A 53 -35.400 -35.772 6.374 1.00 0.00 C ATOM 769 CD LYS A 53 -36.422 -36.897 6.363 1.00 0.00 C ATOM 770 CE LYS A 53 -36.058 -37.971 5.349 1.00 0.00 C ATOM 771 NZ LYS A 53 -37.133 -38.992 5.215 1.00 0.00 N ATOM 0 H LYS A 53 -33.537 -36.211 4.601 1.00 0.00 H new ATOM 0 HA LYS A 53 -32.967 -34.416 6.651 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -33.963 -37.287 6.840 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -34.140 -36.059 8.078 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -35.799 -34.922 6.927 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -35.220 -35.433 5.354 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -36.487 -37.340 7.357 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -37.407 -36.493 6.129 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -35.874 -37.508 4.380 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -35.131 -38.457 5.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -36.848 -39.707 4.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -37.292 -39.452 6.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -38.012 -38.532 4.902 1.00 0.00 H new ATOM 785 N GLY A 54 -31.337 -37.284 6.997 1.00 0.00 N ATOM 786 CA GLY A 54 -30.159 -37.870 7.610 1.00 0.00 C ATOM 787 C GLY A 54 -28.928 -37.003 7.444 1.00 0.00 C ATOM 788 O GLY A 54 -28.153 -36.824 8.385 1.00 0.00 O ATOM 0 H GLY A 54 -31.916 -37.938 6.470 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -30.347 -38.029 8.672 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -29.972 -38.849 7.169 1.00 0.00 H new ATOM 792 N CYS A 55 -28.742 -36.464 6.244 1.00 0.00 N ATOM 793 CA CYS A 55 -27.594 -35.612 5.957 1.00 0.00 C ATOM 794 C CYS A 55 -27.737 -34.257 6.645 1.00 0.00 C ATOM 795 O CYS A 55 -28.688 -33.519 6.392 1.00 0.00 O ATOM 796 CB CYS A 55 -27.443 -35.416 4.447 1.00 0.00 C ATOM 797 SG CYS A 55 -25.967 -34.464 3.965 1.00 0.00 S ATOM 0 H CYS A 55 -29.372 -36.602 5.454 1.00 0.00 H new ATOM 0 HA CYS A 55 -26.702 -36.104 6.344 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -27.405 -36.394 3.967 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -28.330 -34.909 4.067 1.00 0.00 H new ATOM 0 HG CYS A 55 -25.991 -34.246 2.684 1.00 0.00 H new ATOM 802 N GLU A 56 -26.784 -33.939 7.515 1.00 0.00 N ATOM 803 CA GLU A 56 -26.803 -32.674 8.240 1.00 0.00 C ATOM 804 C GLU A 56 -25.859 -31.662 7.596 1.00 0.00 C ATOM 805 O GLU A 56 -25.580 -30.608 8.165 1.00 0.00 O ATOM 806 CB GLU A 56 -26.414 -32.892 9.703 1.00 0.00 C ATOM 807 CG GLU A 56 -24.948 -33.243 9.897 1.00 0.00 C ATOM 808 CD GLU A 56 -24.685 -33.939 11.218 1.00 0.00 C ATOM 809 OE1 GLU A 56 -25.333 -33.573 12.221 1.00 0.00 O ATOM 810 OE2 GLU A 56 -23.829 -34.849 11.249 1.00 0.00 O ATOM 0 H GLU A 56 -25.989 -34.540 7.735 1.00 0.00 H new ATOM 0 HA GLU A 56 -27.817 -32.277 8.197 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -26.641 -31.988 10.269 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -27.028 -33.691 10.118 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -24.621 -33.886 9.080 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -24.350 -32.333 9.845 1.00 0.00 H new ATOM 817 N ARG A 57 -25.368 -31.994 6.405 1.00 0.00 N ATOM 818 CA ARG A 57 -24.454 -31.117 5.685 1.00 0.00 C ATOM 819 C ARG A 57 -25.199 -29.926 5.089 1.00 0.00 C ATOM 820 O ARG A 57 -26.064 -30.090 4.229 1.00 0.00 O ATOM 821 CB ARG A 57 -23.739 -31.892 4.576 1.00 0.00 C ATOM 822 CG ARG A 57 -22.847 -33.010 5.091 1.00 0.00 C ATOM 823 CD ARG A 57 -21.484 -32.486 5.513 1.00 0.00 C ATOM 824 NE ARG A 57 -21.490 -31.981 6.884 1.00 0.00 N ATOM 825 CZ ARG A 57 -21.324 -32.754 7.951 1.00 0.00 C ATOM 826 NH1 ARG A 57 -21.136 -34.059 7.807 1.00 0.00 N ATOM 827 NH2 ARG A 57 -21.343 -32.221 9.166 1.00 0.00 N ATOM 0 H ARG A 57 -25.589 -32.864 5.920 1.00 0.00 H new ATOM 0 HA ARG A 57 -23.715 -30.743 6.393 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -24.484 -32.315 3.902 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -23.136 -31.198 3.990 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -23.328 -33.500 5.938 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -22.723 -33.765 4.315 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -20.746 -33.283 5.424 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -21.176 -31.690 4.835 1.00 0.00 H new ATOM 0 HE ARG A 57 -21.629 -30.981 7.029 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -21.119 -34.472 6.874 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -21.009 -34.650 8.629 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -21.485 -31.217 9.281 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -21.216 -32.815 9.985 1.00 0.00 H new ATOM 841 N ARG A 58 -24.856 -28.729 5.554 1.00 0.00 N ATOM 842 CA ARG A 58 -25.493 -27.511 5.068 1.00 0.00 C ATOM 843 C ARG A 58 -24.537 -26.708 4.191 1.00 0.00 C ATOM 844 O ARG A 58 -23.344 -27.007 4.121 1.00 0.00 O ATOM 845 CB ARG A 58 -25.965 -26.653 6.244 1.00 0.00 C ATOM 846 CG ARG A 58 -26.787 -27.421 7.267 1.00 0.00 C ATOM 847 CD ARG A 58 -27.152 -26.547 8.457 1.00 0.00 C ATOM 848 NE ARG A 58 -28.174 -25.560 8.118 1.00 0.00 N ATOM 849 CZ ARG A 58 -28.353 -24.428 8.790 1.00 0.00 C ATOM 850 NH1 ARG A 58 -27.584 -24.142 9.830 1.00 0.00 N ATOM 851 NH2 ARG A 58 -29.305 -23.581 8.420 1.00 0.00 N ATOM 0 H ARG A 58 -24.141 -28.577 6.266 1.00 0.00 H new ATOM 0 HA ARG A 58 -26.355 -27.798 4.466 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -25.096 -26.221 6.739 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -26.559 -25.823 5.862 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -27.696 -27.796 6.797 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -26.224 -28.289 7.610 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -27.511 -27.176 9.272 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -26.260 -26.036 8.818 1.00 0.00 H new ATOM 0 HE ARG A 58 -28.783 -25.750 7.322 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -26.852 -24.792 10.117 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -27.724 -23.272 10.344 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -29.899 -23.799 7.620 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -29.443 -22.712 8.936 1.00 0.00 H new ATOM 865 N PHE A 59 -25.067 -25.690 3.524 1.00 0.00 N ATOM 866 CA PHE A 59 -24.260 -24.845 2.650 1.00 0.00 C ATOM 867 C PHE A 59 -24.800 -23.418 2.623 1.00 0.00 C ATOM 868 O PHE A 59 -25.941 -23.167 3.012 1.00 0.00 O ATOM 869 CB PHE A 59 -24.234 -25.420 1.232 1.00 0.00 C ATOM 870 CG PHE A 59 -23.836 -26.866 1.179 1.00 0.00 C ATOM 871 CD1 PHE A 59 -24.761 -27.864 1.443 1.00 0.00 C ATOM 872 CD2 PHE A 59 -22.536 -27.229 0.865 1.00 0.00 C ATOM 873 CE1 PHE A 59 -24.396 -29.197 1.395 1.00 0.00 C ATOM 874 CE2 PHE A 59 -22.165 -28.560 0.816 1.00 0.00 C ATOM 875 CZ PHE A 59 -23.097 -29.545 1.080 1.00 0.00 C ATOM 0 H PHE A 59 -26.052 -25.429 3.571 1.00 0.00 H new ATOM 0 HA PHE A 59 -23.244 -24.823 3.044 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -25.221 -25.307 0.784 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -23.540 -24.838 0.625 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -25.778 -27.598 1.689 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -21.804 -26.463 0.656 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -25.126 -29.965 1.604 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -21.148 -28.829 0.572 1.00 0.00 H new ATOM 0 HZ PHE A 59 -22.810 -30.585 1.040 1.00 0.00 H new ATOM 885 N ALA A 60 -23.972 -22.487 2.161 1.00 0.00 N ATOM 886 CA ALA A 60 -24.366 -21.086 2.082 1.00 0.00 C ATOM 887 C ALA A 60 -24.832 -20.725 0.676 1.00 0.00 C ATOM 888 O ALA A 60 -25.870 -20.088 0.500 1.00 0.00 O ATOM 889 CB ALA A 60 -23.211 -20.189 2.504 1.00 0.00 C ATOM 0 H ALA A 60 -23.024 -22.678 1.836 1.00 0.00 H new ATOM 0 HA ALA A 60 -25.202 -20.930 2.764 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -23.519 -19.145 2.440 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -22.926 -20.421 3.530 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -22.360 -20.357 1.844 1.00 0.00 H new ATOM 895 N ARG A 61 -24.057 -21.137 -0.323 1.00 0.00 N ATOM 896 CA ARG A 61 -24.390 -20.855 -1.715 1.00 0.00 C ATOM 897 C ARG A 61 -25.206 -21.995 -2.319 1.00 0.00 C ATOM 898 O ARG A 61 -24.846 -23.164 -2.194 1.00 0.00 O ATOM 899 CB ARG A 61 -23.116 -20.637 -2.532 1.00 0.00 C ATOM 900 CG ARG A 61 -22.395 -19.340 -2.201 1.00 0.00 C ATOM 901 CD ARG A 61 -21.497 -18.895 -3.344 1.00 0.00 C ATOM 902 NE ARG A 61 -22.250 -18.234 -4.407 1.00 0.00 N ATOM 903 CZ ARG A 61 -21.710 -17.841 -5.555 1.00 0.00 C ATOM 904 NH1 ARG A 61 -20.420 -18.042 -5.788 1.00 0.00 N ATOM 905 NH2 ARG A 61 -22.461 -17.246 -6.473 1.00 0.00 N ATOM 0 H ARG A 61 -23.195 -21.667 -0.194 1.00 0.00 H new ATOM 0 HA ARG A 61 -24.991 -19.946 -1.743 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -22.438 -21.473 -2.362 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -23.369 -20.642 -3.592 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -23.126 -18.561 -1.987 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -21.798 -19.474 -1.299 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -20.735 -18.215 -2.963 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -20.976 -19.760 -3.753 1.00 0.00 H new ATOM 0 HE ARG A 61 -23.245 -18.065 -4.260 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -19.840 -18.499 -5.085 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -20.008 -17.739 -6.671 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -23.454 -17.090 -6.297 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -22.046 -16.944 -7.354 1.00 0.00 H new ATOM 919 N SER A 62 -26.308 -21.643 -2.975 1.00 0.00 N ATOM 920 CA SER A 62 -27.178 -22.635 -3.595 1.00 0.00 C ATOM 921 C SER A 62 -26.366 -23.623 -4.428 1.00 0.00 C ATOM 922 O SER A 62 -26.516 -24.837 -4.290 1.00 0.00 O ATOM 923 CB SER A 62 -28.225 -21.948 -4.474 1.00 0.00 C ATOM 924 OG SER A 62 -28.988 -22.900 -5.196 1.00 0.00 O ATOM 0 H SER A 62 -26.619 -20.678 -3.090 1.00 0.00 H new ATOM 0 HA SER A 62 -27.685 -23.185 -2.802 1.00 0.00 H new ATOM 0 HB2 SER A 62 -28.886 -21.343 -3.853 1.00 0.00 H new ATOM 0 HB3 SER A 62 -27.732 -21.269 -5.170 1.00 0.00 H new ATOM 0 HG SER A 62 -29.651 -22.436 -5.749 1.00 0.00 H new ATOM 930 N ASP A 63 -25.508 -23.093 -5.293 1.00 0.00 N ATOM 931 CA ASP A 63 -24.672 -23.928 -6.148 1.00 0.00 C ATOM 932 C ASP A 63 -24.013 -25.043 -5.343 1.00 0.00 C ATOM 933 O ASP A 63 -24.198 -26.224 -5.636 1.00 0.00 O ATOM 934 CB ASP A 63 -23.603 -23.078 -6.836 1.00 0.00 C ATOM 935 CG ASP A 63 -24.170 -21.805 -7.434 1.00 0.00 C ATOM 936 OD1 ASP A 63 -24.758 -21.877 -8.533 1.00 0.00 O ATOM 937 OD2 ASP A 63 -24.025 -20.737 -6.803 1.00 0.00 O ATOM 0 H ASP A 63 -25.373 -22.090 -5.421 1.00 0.00 H new ATOM 0 HA ASP A 63 -25.309 -24.382 -6.907 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -22.827 -22.823 -6.115 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -23.127 -23.664 -7.622 1.00 0.00 H new ATOM 942 N GLU A 64 -23.244 -24.660 -4.329 1.00 0.00 N ATOM 943 CA GLU A 64 -22.557 -25.628 -3.483 1.00 0.00 C ATOM 944 C GLU A 64 -23.500 -26.751 -3.064 1.00 0.00 C ATOM 945 O GLU A 64 -23.154 -27.930 -3.145 1.00 0.00 O ATOM 946 CB GLU A 64 -21.983 -24.940 -2.244 1.00 0.00 C ATOM 947 CG GLU A 64 -20.734 -24.120 -2.524 1.00 0.00 C ATOM 948 CD GLU A 64 -19.732 -24.862 -3.386 1.00 0.00 C ATOM 949 OE1 GLU A 64 -18.960 -25.673 -2.833 1.00 0.00 O ATOM 950 OE2 GLU A 64 -19.719 -24.633 -4.614 1.00 0.00 O ATOM 0 H GLU A 64 -23.081 -23.686 -4.073 1.00 0.00 H new ATOM 0 HA GLU A 64 -21.740 -26.060 -4.060 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -22.745 -24.290 -1.814 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -21.750 -25.696 -1.494 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -21.017 -23.191 -3.019 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -20.264 -23.847 -1.579 1.00 0.00 H new ATOM 957 N LEU A 65 -24.694 -26.377 -2.617 1.00 0.00 N ATOM 958 CA LEU A 65 -25.689 -27.351 -2.184 1.00 0.00 C ATOM 959 C LEU A 65 -26.127 -28.235 -3.347 1.00 0.00 C ATOM 960 O LEU A 65 -26.144 -29.461 -3.237 1.00 0.00 O ATOM 961 CB LEU A 65 -26.903 -26.639 -1.585 1.00 0.00 C ATOM 962 CG LEU A 65 -28.213 -27.425 -1.590 1.00 0.00 C ATOM 963 CD1 LEU A 65 -28.119 -28.627 -0.664 1.00 0.00 C ATOM 964 CD2 LEU A 65 -29.375 -26.529 -1.188 1.00 0.00 C ATOM 0 H LEU A 65 -24.996 -25.405 -2.545 1.00 0.00 H new ATOM 0 HA LEU A 65 -25.234 -27.983 -1.422 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -26.669 -26.369 -0.555 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -27.059 -25.709 -2.131 1.00 0.00 H new ATOM 0 HG LEU A 65 -28.393 -27.786 -2.603 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -29.062 -29.174 -0.681 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -27.314 -29.281 -0.998 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -27.914 -28.289 0.352 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -30.300 -27.106 -1.197 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -29.202 -26.137 -0.186 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -29.457 -25.701 -1.893 1.00 0.00 H new ATOM 976 N SER A 66 -26.480 -27.604 -4.463 1.00 0.00 N ATOM 977 CA SER A 66 -26.920 -28.334 -5.646 1.00 0.00 C ATOM 978 C SER A 66 -25.883 -29.373 -6.061 1.00 0.00 C ATOM 979 O SER A 66 -26.227 -30.499 -6.421 1.00 0.00 O ATOM 980 CB SER A 66 -27.177 -27.365 -6.802 1.00 0.00 C ATOM 981 OG SER A 66 -27.876 -28.002 -7.856 1.00 0.00 O ATOM 0 H SER A 66 -26.470 -26.590 -4.572 1.00 0.00 H new ATOM 0 HA SER A 66 -27.848 -28.850 -5.399 1.00 0.00 H new ATOM 0 HB2 SER A 66 -27.752 -26.511 -6.444 1.00 0.00 H new ATOM 0 HB3 SER A 66 -26.228 -26.977 -7.173 1.00 0.00 H new ATOM 0 HG SER A 66 -28.029 -27.361 -8.581 1.00 0.00 H new ATOM 987 N ARG A 67 -24.613 -28.987 -6.007 1.00 0.00 N ATOM 988 CA ARG A 67 -23.525 -29.884 -6.378 1.00 0.00 C ATOM 989 C ARG A 67 -23.416 -31.043 -5.391 1.00 0.00 C ATOM 990 O ARG A 67 -23.487 -32.210 -5.778 1.00 0.00 O ATOM 991 CB ARG A 67 -22.201 -29.119 -6.432 1.00 0.00 C ATOM 992 CG ARG A 67 -20.997 -30.005 -6.704 1.00 0.00 C ATOM 993 CD ARG A 67 -19.739 -29.454 -6.051 1.00 0.00 C ATOM 994 NE ARG A 67 -18.525 -29.952 -6.691 1.00 0.00 N ATOM 995 CZ ARG A 67 -18.067 -31.190 -6.538 1.00 0.00 C ATOM 996 NH1 ARG A 67 -18.719 -32.050 -5.767 1.00 0.00 N ATOM 997 NH2 ARG A 67 -16.955 -31.568 -7.154 1.00 0.00 N ATOM 0 H ARG A 67 -24.312 -28.059 -5.710 1.00 0.00 H new ATOM 0 HA ARG A 67 -23.742 -30.290 -7.366 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -22.263 -28.356 -7.208 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -22.053 -28.599 -5.486 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -21.192 -31.010 -6.330 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -20.842 -30.090 -7.780 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -19.753 -28.365 -6.099 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -19.730 -29.726 -4.996 1.00 0.00 H new ATOM 0 HE ARG A 67 -17.999 -29.314 -7.289 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -19.573 -31.761 -5.290 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -18.366 -33.000 -5.651 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -16.450 -30.908 -7.746 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -16.604 -32.519 -7.036 1.00 0.00 H new ATOM 1011 N HIS A 68 -23.242 -30.713 -4.115 1.00 0.00 N ATOM 1012 CA HIS A 68 -23.123 -31.727 -3.073 1.00 0.00 C ATOM 1013 C HIS A 68 -24.178 -32.814 -3.250 1.00 0.00 C ATOM 1014 O HIS A 68 -23.857 -34.001 -3.298 1.00 0.00 O ATOM 1015 CB HIS A 68 -23.261 -31.086 -1.692 1.00 0.00 C ATOM 1016 CG HIS A 68 -23.737 -32.036 -0.636 1.00 0.00 C ATOM 1017 ND1 HIS A 68 -22.893 -32.891 0.042 1.00 0.00 N ATOM 1018 CD2 HIS A 68 -24.976 -32.263 -0.141 1.00 0.00 C ATOM 1019 CE1 HIS A 68 -23.594 -33.603 0.907 1.00 0.00 C ATOM 1020 NE2 HIS A 68 -24.860 -33.240 0.816 1.00 0.00 N ATOM 0 H HIS A 68 -23.180 -29.752 -3.778 1.00 0.00 H new ATOM 0 HA HIS A 68 -22.138 -32.185 -3.156 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -22.296 -30.676 -1.393 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -23.956 -30.249 -1.757 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -21.886 -32.962 -0.102 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -25.887 -31.767 -0.443 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -23.198 -34.354 1.575 1.00 0.00 H new ATOM 1028 N ARG A 69 -25.437 -32.400 -3.347 1.00 0.00 N ATOM 1029 CA ARG A 69 -26.539 -33.340 -3.517 1.00 0.00 C ATOM 1030 C ARG A 69 -26.110 -34.533 -4.365 1.00 0.00 C ATOM 1031 O ARG A 69 -26.476 -35.673 -4.080 1.00 0.00 O ATOM 1032 CB ARG A 69 -27.736 -32.643 -4.166 1.00 0.00 C ATOM 1033 CG ARG A 69 -28.587 -31.854 -3.184 1.00 0.00 C ATOM 1034 CD ARG A 69 -30.037 -31.777 -3.640 1.00 0.00 C ATOM 1035 NE ARG A 69 -30.259 -30.675 -4.573 1.00 0.00 N ATOM 1036 CZ ARG A 69 -30.149 -30.795 -5.891 1.00 0.00 C ATOM 1037 NH1 ARG A 69 -29.821 -31.962 -6.429 1.00 0.00 N ATOM 1038 NH2 ARG A 69 -30.367 -29.746 -6.675 1.00 0.00 N ATOM 0 H ARG A 69 -25.719 -31.421 -3.311 1.00 0.00 H new ATOM 0 HA ARG A 69 -26.829 -33.703 -2.531 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -27.376 -31.970 -4.944 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -28.360 -33.391 -4.655 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -28.538 -32.322 -2.201 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -28.184 -30.847 -3.078 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -30.318 -32.717 -4.115 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -30.684 -31.653 -2.772 1.00 0.00 H new ATOM 0 HE ARG A 69 -30.512 -29.764 -4.191 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -29.653 -32.770 -5.830 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -29.737 -32.051 -7.442 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -30.619 -28.847 -6.265 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -30.282 -29.839 -7.687 1.00 0.00 H new ATOM 1052 N ARG A 70 -25.333 -34.263 -5.408 1.00 0.00 N ATOM 1053 CA ARG A 70 -24.856 -35.313 -6.299 1.00 0.00 C ATOM 1054 C ARG A 70 -24.374 -36.523 -5.503 1.00 0.00 C ATOM 1055 O ARG A 70 -24.794 -37.653 -5.754 1.00 0.00 O ATOM 1056 CB ARG A 70 -23.724 -34.787 -7.183 1.00 0.00 C ATOM 1057 CG ARG A 70 -24.202 -33.900 -8.322 1.00 0.00 C ATOM 1058 CD ARG A 70 -23.164 -33.807 -9.429 1.00 0.00 C ATOM 1059 NE ARG A 70 -23.706 -33.188 -10.636 1.00 0.00 N ATOM 1060 CZ ARG A 70 -23.061 -33.153 -11.797 1.00 0.00 C ATOM 1061 NH1 ARG A 70 -21.857 -33.699 -11.906 1.00 0.00 N ATOM 1062 NH2 ARG A 70 -23.618 -32.572 -12.850 1.00 0.00 N ATOM 0 H ARG A 70 -25.020 -33.325 -5.657 1.00 0.00 H new ATOM 0 HA ARG A 70 -25.687 -35.623 -6.932 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -23.023 -34.225 -6.565 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -23.176 -35.633 -7.598 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -25.133 -34.296 -8.727 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -24.419 -32.902 -7.941 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -22.310 -33.229 -9.077 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -22.797 -34.805 -9.667 1.00 0.00 H new ATOM 0 HE ARG A 70 -24.630 -32.759 -10.585 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -21.425 -34.147 -11.098 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -21.363 -33.671 -12.798 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -24.543 -32.151 -12.770 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -23.121 -32.546 -13.740 1.00 0.00 H new ATOM 1076 N THR A 71 -23.488 -36.279 -4.544 1.00 0.00 N ATOM 1077 CA THR A 71 -22.947 -37.347 -3.712 1.00 0.00 C ATOM 1078 C THR A 71 -24.032 -38.346 -3.326 1.00 0.00 C ATOM 1079 O THR A 71 -23.769 -39.541 -3.188 1.00 0.00 O ATOM 1080 CB THR A 71 -22.300 -36.788 -2.430 1.00 0.00 C ATOM 1081 OG1 THR A 71 -21.669 -37.846 -1.700 1.00 0.00 O ATOM 1082 CG2 THR A 71 -23.339 -36.109 -1.552 1.00 0.00 C ATOM 0 H THR A 71 -23.129 -35.350 -4.323 1.00 0.00 H new ATOM 0 HA THR A 71 -22.184 -37.853 -4.304 1.00 0.00 H new ATOM 0 HB THR A 71 -21.552 -36.049 -2.718 1.00 0.00 H new ATOM 0 HG1 THR A 71 -21.259 -37.483 -0.887 1.00 0.00 H new ATOM 0 HG21 THR A 71 -22.859 -35.722 -0.653 1.00 0.00 H new ATOM 0 HG22 THR A 71 -23.798 -35.287 -2.101 1.00 0.00 H new ATOM 0 HG23 THR A 71 -24.106 -36.831 -1.272 1.00 0.00 H new ATOM 1090 N HIS A 72 -25.252 -37.849 -3.155 1.00 0.00 N ATOM 1091 CA HIS A 72 -26.379 -38.701 -2.786 1.00 0.00 C ATOM 1092 C HIS A 72 -26.868 -39.505 -3.987 1.00 0.00 C ATOM 1093 O HIS A 72 -26.779 -40.732 -4.001 1.00 0.00 O ATOM 1094 CB HIS A 72 -27.522 -37.855 -2.224 1.00 0.00 C ATOM 1095 CG HIS A 72 -27.216 -37.243 -0.891 1.00 0.00 C ATOM 1096 ND1 HIS A 72 -26.974 -37.991 0.242 1.00 0.00 N ATOM 1097 CD2 HIS A 72 -27.110 -35.947 -0.515 1.00 0.00 C ATOM 1098 CE1 HIS A 72 -26.736 -37.181 1.258 1.00 0.00 C ATOM 1099 NE2 HIS A 72 -26.811 -35.935 0.825 1.00 0.00 N ATOM 0 H HIS A 72 -25.487 -36.863 -3.265 1.00 0.00 H new ATOM 0 HA HIS A 72 -26.041 -39.397 -2.018 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -27.758 -37.062 -2.933 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -28.413 -38.477 -2.133 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -26.978 -39.010 0.288 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -27.237 -35.083 -1.151 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -26.517 -37.486 2.271 1.00 0.00 H new