USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 463 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 67 THR OG1 : rot 180:sc= -1.22 USER MOD Set 1.2: A 70 SER OG : rot -87:sc= 0.237 USER MOD Single : A 15 MET CE :methyl -154:sc= -0.461 (180deg=-0.821) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot -28:sc= -0.0918 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl 149:sc= -4.68! (180deg=-7.33!) USER MOD Single : A 36 GLN : amide:sc= -0.239 K(o=-0.24,f=-1.9!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.329 X(o=-0.33,f=0) USER MOD Single : A 42 GLN : amide:sc= -0.326 K(o=-0.33,f=-3.1!) USER MOD Single : A 44 SER OG : rot -87:sc= -7.76! USER MOD Single : A 46 CYS SG : rot -36:sc= -0.422 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0207 X(o=-0.021,f=-0.21) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 CYS SG : rot 57:sc= -2.39! USER MOD Single : A 63 MET CE :methyl -171:sc= 0 (180deg=-0.15) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.45 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 SER OG : rot 89:sc= 0.85 USER MOD Single : A 75 LYS NZ :NH3+ -126:sc= -0.294 (180deg=-2.3!) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 185 N MET A 15 7.571 -9.255 8.349 1.00 0.00 N ATOM 186 CA MET A 15 8.359 -8.038 8.449 1.00 0.00 C ATOM 187 C MET A 15 7.512 -6.807 8.117 1.00 0.00 C ATOM 188 O MET A 15 6.458 -6.924 7.494 1.00 0.00 O ATOM 189 CB MET A 15 9.545 -8.117 7.485 1.00 0.00 C ATOM 190 CG MET A 15 9.070 -8.354 6.050 1.00 0.00 C ATOM 191 SD MET A 15 10.173 -7.547 4.901 1.00 0.00 S ATOM 192 CE MET A 15 9.746 -5.841 5.207 1.00 0.00 C ATOM 0 HA MET A 15 8.718 -7.943 9.474 1.00 0.00 H new ATOM 0 HB2 MET A 15 10.120 -7.192 7.534 1.00 0.00 H new ATOM 0 HB3 MET A 15 10.212 -8.924 7.789 1.00 0.00 H new ATOM 0 HG2 MET A 15 9.034 -9.423 5.842 1.00 0.00 H new ATOM 0 HG3 MET A 15 8.057 -7.970 5.925 1.00 0.00 H new ATOM 0 HE1 MET A 15 9.960 -5.247 4.318 1.00 0.00 H new ATOM 0 HE2 MET A 15 8.685 -5.769 5.444 1.00 0.00 H new ATOM 0 HE3 MET A 15 10.332 -5.464 6.045 1.00 0.00 H new ATOM 202 N THR A 16 8.006 -5.656 8.549 1.00 0.00 N ATOM 203 CA THR A 16 7.308 -4.405 8.306 1.00 0.00 C ATOM 204 C THR A 16 8.154 -3.484 7.424 1.00 0.00 C ATOM 205 O THR A 16 9.378 -3.453 7.548 1.00 0.00 O ATOM 206 CB THR A 16 6.953 -3.790 9.661 1.00 0.00 C ATOM 207 OG1 THR A 16 5.969 -4.672 10.195 1.00 0.00 O ATOM 208 CG2 THR A 16 6.221 -2.454 9.525 1.00 0.00 C ATOM 0 H THR A 16 8.881 -5.563 9.065 1.00 0.00 H new ATOM 0 HA THR A 16 6.382 -4.570 7.755 1.00 0.00 H new ATOM 0 HB THR A 16 7.863 -3.647 10.244 1.00 0.00 H new ATOM 0 HG1 THR A 16 5.683 -4.349 11.075 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.993 -2.062 10.516 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.854 -1.745 8.991 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.294 -2.602 8.971 1.00 0.00 H new ATOM 216 N GLU A 17 7.470 -2.757 6.554 1.00 0.00 N ATOM 217 CA GLU A 17 8.143 -1.838 5.652 1.00 0.00 C ATOM 218 C GLU A 17 7.390 -0.508 5.590 1.00 0.00 C ATOM 219 O GLU A 17 6.164 -0.480 5.682 1.00 0.00 O ATOM 220 CB GLU A 17 8.293 -2.450 4.258 1.00 0.00 C ATOM 221 CG GLU A 17 8.996 -1.480 3.306 1.00 0.00 C ATOM 222 CD GLU A 17 10.505 -1.463 3.558 1.00 0.00 C ATOM 223 OE1 GLU A 17 11.128 -2.526 3.346 1.00 0.00 O ATOM 224 OE2 GLU A 17 11.002 -0.387 3.956 1.00 0.00 O ATOM 0 H GLU A 17 6.455 -2.786 6.454 1.00 0.00 H new ATOM 0 HA GLU A 17 9.144 -1.648 6.038 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.862 -3.377 4.323 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.310 -2.706 3.862 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.799 -1.771 2.274 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.590 -0.477 3.438 1.00 0.00 H new ATOM 231 N GLU A 18 8.156 0.562 5.435 1.00 0.00 N ATOM 232 CA GLU A 18 7.577 1.892 5.359 1.00 0.00 C ATOM 233 C GLU A 18 7.662 2.428 3.928 1.00 0.00 C ATOM 234 O GLU A 18 8.700 2.940 3.514 1.00 0.00 O ATOM 235 CB GLU A 18 8.260 2.845 6.342 1.00 0.00 C ATOM 236 CG GLU A 18 7.921 4.302 6.020 1.00 0.00 C ATOM 237 CD GLU A 18 8.128 5.196 7.244 1.00 0.00 C ATOM 238 OE1 GLU A 18 7.765 4.739 8.349 1.00 0.00 O ATOM 239 OE2 GLU A 18 8.645 6.317 7.047 1.00 0.00 O ATOM 0 H GLU A 18 9.173 0.535 5.360 1.00 0.00 H new ATOM 0 HA GLU A 18 6.526 1.825 5.639 1.00 0.00 H new ATOM 0 HB2 GLU A 18 7.945 2.611 7.359 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.340 2.702 6.302 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.547 4.652 5.199 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.886 4.373 5.684 1.00 0.00 H new ATOM 246 N TYR A 19 6.555 2.291 3.213 1.00 0.00 N ATOM 247 CA TYR A 19 6.491 2.754 1.837 1.00 0.00 C ATOM 248 C TYR A 19 5.757 4.093 1.743 1.00 0.00 C ATOM 249 O TYR A 19 4.656 4.240 2.272 1.00 0.00 O ATOM 250 CB TYR A 19 5.696 1.695 1.072 1.00 0.00 C ATOM 251 CG TYR A 19 5.798 1.819 -0.450 1.00 0.00 C ATOM 252 CD1 TYR A 19 6.983 1.517 -1.089 1.00 0.00 C ATOM 253 CD2 TYR A 19 4.704 2.234 -1.183 1.00 0.00 C ATOM 254 CE1 TYR A 19 7.079 1.634 -2.521 1.00 0.00 C ATOM 255 CE2 TYR A 19 4.800 2.351 -2.615 1.00 0.00 C ATOM 256 CZ TYR A 19 5.983 2.045 -3.214 1.00 0.00 C ATOM 257 OH TYR A 19 6.073 2.155 -4.566 1.00 0.00 O ATOM 0 H TYR A 19 5.695 1.866 3.561 1.00 0.00 H new ATOM 0 HA TYR A 19 7.493 2.896 1.433 1.00 0.00 H new ATOM 0 HB2 TYR A 19 6.046 0.707 1.370 1.00 0.00 H new ATOM 0 HB3 TYR A 19 4.648 1.762 1.362 1.00 0.00 H new ATOM 0 HD1 TYR A 19 7.839 1.193 -0.515 1.00 0.00 H new ATOM 0 HD2 TYR A 19 3.777 2.471 -0.683 1.00 0.00 H new ATOM 0 HE1 TYR A 19 8.001 1.401 -3.033 1.00 0.00 H new ATOM 0 HE2 TYR A 19 3.952 2.674 -3.201 1.00 0.00 H new ATOM 0 HH TYR A 19 7.001 2.343 -4.818 1.00 0.00 H new ATOM 267 N LYS A 20 6.396 5.036 1.066 1.00 0.00 N ATOM 268 CA LYS A 20 5.817 6.358 0.896 1.00 0.00 C ATOM 269 C LYS A 20 5.256 6.486 -0.522 1.00 0.00 C ATOM 270 O LYS A 20 5.779 5.881 -1.457 1.00 0.00 O ATOM 271 CB LYS A 20 6.838 7.440 1.253 1.00 0.00 C ATOM 272 CG LYS A 20 6.898 7.659 2.767 1.00 0.00 C ATOM 273 CD LYS A 20 6.894 9.151 3.105 1.00 0.00 C ATOM 274 CE LYS A 20 7.772 9.439 4.324 1.00 0.00 C ATOM 275 NZ LYS A 20 7.115 10.418 5.217 1.00 0.00 N ATOM 0 H LYS A 20 7.309 4.911 0.629 1.00 0.00 H new ATOM 0 HA LYS A 20 4.983 6.500 1.583 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.822 7.152 0.884 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.572 8.374 0.757 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.046 7.172 3.243 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.797 7.193 3.170 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.254 9.722 2.250 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.874 9.480 3.301 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.964 8.514 4.868 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.739 9.825 4.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.725 10.602 6.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.954 11.306 4.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.204 10.036 5.541 1.00 0.00 H new ATOM 289 N VAL A 21 4.200 7.277 -0.637 1.00 0.00 N ATOM 290 CA VAL A 21 3.563 7.492 -1.925 1.00 0.00 C ATOM 291 C VAL A 21 3.166 8.964 -2.053 1.00 0.00 C ATOM 292 O VAL A 21 3.069 9.674 -1.054 1.00 0.00 O ATOM 293 CB VAL A 21 2.379 6.537 -2.089 1.00 0.00 C ATOM 294 CG1 VAL A 21 2.852 5.144 -2.506 1.00 0.00 C ATOM 295 CG2 VAL A 21 1.545 6.473 -0.808 1.00 0.00 C ATOM 0 H VAL A 21 3.769 7.777 0.141 1.00 0.00 H new ATOM 0 HA VAL A 21 4.257 7.271 -2.736 1.00 0.00 H new ATOM 0 HB VAL A 21 1.742 6.926 -2.884 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.991 4.485 -2.616 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.382 5.209 -3.456 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.521 4.744 -1.744 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.710 5.787 -0.951 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.167 6.120 0.014 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.163 7.466 -0.573 1.00 0.00 H new ATOM 305 N PRO A 22 2.941 9.390 -3.325 1.00 0.00 N ATOM 306 CA PRO A 22 2.557 10.765 -3.597 1.00 0.00 C ATOM 307 C PRO A 22 1.095 11.010 -3.220 1.00 0.00 C ATOM 308 O PRO A 22 0.197 10.348 -3.738 1.00 0.00 O ATOM 309 CB PRO A 22 2.830 10.964 -5.079 1.00 0.00 C ATOM 310 CG PRO A 22 2.915 9.569 -5.678 1.00 0.00 C ATOM 311 CD PRO A 22 3.047 8.578 -4.534 1.00 0.00 C ATOM 0 HA PRO A 22 3.120 11.485 -3.002 1.00 0.00 H new ATOM 0 HB2 PRO A 22 2.035 11.543 -5.548 1.00 0.00 H new ATOM 0 HB3 PRO A 22 3.759 11.513 -5.235 1.00 0.00 H new ATOM 0 HG2 PRO A 22 2.025 9.353 -6.270 1.00 0.00 H new ATOM 0 HG3 PRO A 22 3.770 9.493 -6.349 1.00 0.00 H new ATOM 0 HD2 PRO A 22 2.263 7.822 -4.573 1.00 0.00 H new ATOM 0 HD3 PRO A 22 4.000 8.051 -4.575 1.00 0.00 H new ATOM 319 N ASP A 23 0.901 11.964 -2.321 1.00 0.00 N ATOM 320 CA ASP A 23 -0.437 12.306 -1.869 1.00 0.00 C ATOM 321 C ASP A 23 -1.323 12.594 -3.082 1.00 0.00 C ATOM 322 O ASP A 23 -2.543 12.457 -3.011 1.00 0.00 O ATOM 323 CB ASP A 23 -0.419 13.557 -0.989 1.00 0.00 C ATOM 324 CG ASP A 23 -0.441 14.884 -1.751 1.00 0.00 C ATOM 325 OD1 ASP A 23 0.581 15.179 -2.406 1.00 0.00 O ATOM 326 OD2 ASP A 23 -1.480 15.572 -1.660 1.00 0.00 O ATOM 0 H ASP A 23 1.648 12.511 -1.893 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.822 11.465 -1.292 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -1.279 13.525 -0.320 1.00 0.00 H new ATOM 0 HB3 ASP A 23 0.473 13.530 -0.363 1.00 0.00 H new ATOM 331 N GLY A 24 -0.674 12.988 -4.168 1.00 0.00 N ATOM 332 CA GLY A 24 -1.388 13.297 -5.396 1.00 0.00 C ATOM 333 C GLY A 24 -1.813 12.018 -6.120 1.00 0.00 C ATOM 334 O GLY A 24 -2.422 12.077 -7.187 1.00 0.00 O ATOM 0 H GLY A 24 0.338 13.100 -4.223 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.267 13.899 -5.168 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.753 13.895 -6.049 1.00 0.00 H new ATOM 338 N MET A 25 -1.474 10.891 -5.511 1.00 0.00 N ATOM 339 CA MET A 25 -1.813 9.599 -6.084 1.00 0.00 C ATOM 340 C MET A 25 -2.541 8.721 -5.065 1.00 0.00 C ATOM 341 O MET A 25 -3.496 8.026 -5.408 1.00 0.00 O ATOM 342 CB MET A 25 -0.535 8.895 -6.546 1.00 0.00 C ATOM 343 CG MET A 25 0.124 9.655 -7.698 1.00 0.00 C ATOM 344 SD MET A 25 -1.013 9.795 -9.067 1.00 0.00 S ATOM 345 CE MET A 25 -0.791 8.192 -9.819 1.00 0.00 C ATOM 0 H MET A 25 -0.968 10.846 -4.626 1.00 0.00 H new ATOM 0 HA MET A 25 -2.476 9.762 -6.934 1.00 0.00 H new ATOM 0 HB2 MET A 25 0.162 8.816 -5.712 1.00 0.00 H new ATOM 0 HB3 MET A 25 -0.770 7.879 -6.863 1.00 0.00 H new ATOM 0 HG2 MET A 25 0.427 10.647 -7.364 1.00 0.00 H new ATOM 0 HG3 MET A 25 1.028 9.136 -8.017 1.00 0.00 H new ATOM 0 HE1 MET A 25 -1.723 7.879 -10.291 1.00 0.00 H new ATOM 0 HE2 MET A 25 -0.005 8.249 -10.572 1.00 0.00 H new ATOM 0 HE3 MET A 25 -0.510 7.467 -9.055 1.00 0.00 H new ATOM 355 N VAL A 26 -2.061 8.780 -3.831 1.00 0.00 N ATOM 356 CA VAL A 26 -2.654 7.998 -2.759 1.00 0.00 C ATOM 357 C VAL A 26 -4.179 8.078 -2.859 1.00 0.00 C ATOM 358 O VAL A 26 -4.857 7.053 -2.887 1.00 0.00 O ATOM 359 CB VAL A 26 -2.118 8.473 -1.407 1.00 0.00 C ATOM 360 CG1 VAL A 26 -2.600 9.891 -1.093 1.00 0.00 C ATOM 361 CG2 VAL A 26 -2.508 7.501 -0.291 1.00 0.00 C ATOM 0 H VAL A 26 -1.268 9.357 -3.550 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.376 6.948 -2.853 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.030 8.495 -1.467 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.205 10.204 -0.127 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.250 10.574 -1.867 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.689 9.906 -1.061 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.115 7.862 0.659 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.594 7.432 -0.232 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.093 6.516 -0.505 1.00 0.00 H new ATOM 371 N GLY A 27 -4.673 9.307 -2.911 1.00 0.00 N ATOM 372 CA GLY A 27 -6.105 9.534 -3.007 1.00 0.00 C ATOM 373 C GLY A 27 -6.733 8.630 -4.070 1.00 0.00 C ATOM 374 O GLY A 27 -7.892 8.235 -3.948 1.00 0.00 O ATOM 0 H GLY A 27 -4.107 10.155 -2.888 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.573 9.344 -2.041 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -6.296 10.578 -3.254 1.00 0.00 H new ATOM 378 N PHE A 28 -5.941 8.328 -5.088 1.00 0.00 N ATOM 379 CA PHE A 28 -6.405 7.478 -6.171 1.00 0.00 C ATOM 380 C PHE A 28 -6.021 6.018 -5.925 1.00 0.00 C ATOM 381 O PHE A 28 -6.633 5.109 -6.484 1.00 0.00 O ATOM 382 CB PHE A 28 -5.717 7.966 -7.448 1.00 0.00 C ATOM 383 CG PHE A 28 -5.577 6.891 -8.528 1.00 0.00 C ATOM 384 CD1 PHE A 28 -6.651 6.133 -8.877 1.00 0.00 C ATOM 385 CD2 PHE A 28 -4.378 6.694 -9.140 1.00 0.00 C ATOM 386 CE1 PHE A 28 -6.520 5.135 -9.879 1.00 0.00 C ATOM 387 CE2 PHE A 28 -4.248 5.697 -10.142 1.00 0.00 C ATOM 388 CZ PHE A 28 -5.322 4.938 -10.491 1.00 0.00 C ATOM 0 H PHE A 28 -4.980 8.657 -5.186 1.00 0.00 H new ATOM 0 HA PHE A 28 -7.491 7.532 -6.248 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -6.282 8.805 -7.855 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.726 8.343 -7.194 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -7.603 6.290 -8.392 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -3.525 7.296 -8.863 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -7.373 4.532 -10.155 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -3.296 5.541 -10.628 1.00 0.00 H new ATOM 0 HZ PHE A 28 -5.223 4.180 -11.254 1.00 0.00 H new ATOM 398 N ILE A 29 -5.010 5.838 -5.088 1.00 0.00 N ATOM 399 CA ILE A 29 -4.538 4.503 -4.761 1.00 0.00 C ATOM 400 C ILE A 29 -5.637 3.747 -4.012 1.00 0.00 C ATOM 401 O ILE A 29 -5.877 2.570 -4.277 1.00 0.00 O ATOM 402 CB ILE A 29 -3.213 4.576 -3.999 1.00 0.00 C ATOM 403 CG1 ILE A 29 -2.124 5.228 -4.853 1.00 0.00 C ATOM 404 CG2 ILE A 29 -2.794 3.193 -3.495 1.00 0.00 C ATOM 405 CD1 ILE A 29 -0.731 4.876 -4.329 1.00 0.00 C ATOM 0 H ILE A 29 -4.505 6.594 -4.626 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.327 3.940 -5.670 1.00 0.00 H new ATOM 0 HB ILE A 29 -3.357 5.209 -3.123 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.221 4.897 -5.887 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -2.254 6.310 -4.851 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.849 3.273 -2.957 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.561 2.802 -2.826 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.673 2.518 -4.342 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.024 5.352 -4.954 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.628 5.229 -3.303 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.595 3.795 -4.356 1.00 0.00 H new ATOM 417 N ILE A 30 -6.276 4.454 -3.092 1.00 0.00 N ATOM 418 CA ILE A 30 -7.344 3.865 -2.303 1.00 0.00 C ATOM 419 C ILE A 30 -8.406 3.287 -3.241 1.00 0.00 C ATOM 420 O ILE A 30 -8.621 2.076 -3.271 1.00 0.00 O ATOM 421 CB ILE A 30 -7.896 4.882 -1.302 1.00 0.00 C ATOM 422 CG1 ILE A 30 -6.765 5.688 -0.660 1.00 0.00 C ATOM 423 CG2 ILE A 30 -8.779 4.199 -0.256 1.00 0.00 C ATOM 424 CD1 ILE A 30 -6.782 7.139 -1.144 1.00 0.00 C ATOM 0 H ILE A 30 -6.074 5.430 -2.875 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.963 3.038 -1.704 1.00 0.00 H new ATOM 0 HB ILE A 30 -8.527 5.587 -1.844 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.866 5.662 0.425 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.805 5.231 -0.902 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -9.158 4.945 0.443 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -9.616 3.707 -0.752 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -8.193 3.458 0.287 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.968 7.689 -0.672 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.657 7.163 -2.227 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -7.733 7.600 -0.879 1.00 0.00 H new ATOM 436 N GLY A 31 -9.042 4.180 -3.984 1.00 0.00 N ATOM 437 CA GLY A 31 -10.077 3.775 -4.921 1.00 0.00 C ATOM 438 C GLY A 31 -11.466 4.141 -4.396 1.00 0.00 C ATOM 439 O GLY A 31 -12.339 3.282 -4.287 1.00 0.00 O ATOM 0 H GLY A 31 -8.861 5.183 -3.957 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.910 4.257 -5.884 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.020 2.700 -5.089 1.00 0.00 H new ATOM 481 N GLU A 35 -11.132 0.099 -3.065 1.00 0.00 N ATOM 482 CA GLU A 35 -11.152 -1.123 -3.850 1.00 0.00 C ATOM 483 C GLU A 35 -9.909 -1.203 -4.740 1.00 0.00 C ATOM 484 O GLU A 35 -9.545 -2.280 -5.208 1.00 0.00 O ATOM 485 CB GLU A 35 -12.431 -1.218 -4.685 1.00 0.00 C ATOM 486 CG GLU A 35 -12.378 -2.416 -5.635 1.00 0.00 C ATOM 487 CD GLU A 35 -13.771 -3.014 -5.842 1.00 0.00 C ATOM 488 OE1 GLU A 35 -14.619 -2.293 -6.411 1.00 0.00 O ATOM 489 OE2 GLU A 35 -13.956 -4.178 -5.426 1.00 0.00 O ATOM 0 HA GLU A 35 -11.140 -1.971 -3.166 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -13.294 -1.310 -4.026 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -12.564 -0.300 -5.258 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -11.965 -2.105 -6.595 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.709 -3.176 -5.231 1.00 0.00 H new ATOM 496 N GLN A 36 -9.294 -0.048 -4.947 1.00 0.00 N ATOM 497 CA GLN A 36 -8.100 0.027 -5.772 1.00 0.00 C ATOM 498 C GLN A 36 -6.900 -0.557 -5.023 1.00 0.00 C ATOM 499 O GLN A 36 -6.024 -1.171 -5.630 1.00 0.00 O ATOM 500 CB GLN A 36 -7.826 1.467 -6.210 1.00 0.00 C ATOM 501 CG GLN A 36 -6.536 1.554 -7.028 1.00 0.00 C ATOM 502 CD GLN A 36 -6.838 1.592 -8.527 1.00 0.00 C ATOM 503 OE1 GLN A 36 -7.963 1.409 -8.964 1.00 0.00 O ATOM 504 NE2 GLN A 36 -5.775 1.838 -9.288 1.00 0.00 N ATOM 0 H GLN A 36 -9.600 0.844 -4.558 1.00 0.00 H new ATOM 0 HA GLN A 36 -8.265 -0.566 -6.672 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.663 1.836 -6.803 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.749 2.110 -5.333 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -5.980 2.447 -6.743 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -5.900 0.698 -6.803 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -4.862 1.982 -8.857 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -5.873 1.883 -10.302 1.00 0.00 H new ATOM 513 N ILE A 37 -6.898 -0.343 -3.715 1.00 0.00 N ATOM 514 CA ILE A 37 -5.820 -0.840 -2.878 1.00 0.00 C ATOM 515 C ILE A 37 -6.007 -2.342 -2.650 1.00 0.00 C ATOM 516 O ILE A 37 -5.065 -3.118 -2.800 1.00 0.00 O ATOM 517 CB ILE A 37 -5.729 -0.029 -1.584 1.00 0.00 C ATOM 518 CG1 ILE A 37 -4.391 -0.265 -0.881 1.00 0.00 C ATOM 519 CG2 ILE A 37 -6.918 -0.324 -0.667 1.00 0.00 C ATOM 520 CD1 ILE A 37 -3.229 0.274 -1.718 1.00 0.00 C ATOM 0 H ILE A 37 -7.626 0.168 -3.215 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.860 -0.710 -3.377 1.00 0.00 H new ATOM 0 HB ILE A 37 -5.775 1.029 -1.841 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -4.398 0.222 0.094 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.252 -1.332 -0.704 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.829 0.265 0.246 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -7.845 -0.064 -1.178 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.928 -1.384 -0.415 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.290 0.093 -1.195 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.210 -0.232 -2.683 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.358 1.345 -1.872 1.00 0.00 H new ATOM 532 N SER A 38 -7.230 -2.705 -2.292 1.00 0.00 N ATOM 533 CA SER A 38 -7.553 -4.100 -2.043 1.00 0.00 C ATOM 534 C SER A 38 -6.910 -4.985 -3.112 1.00 0.00 C ATOM 535 O SER A 38 -6.198 -5.936 -2.791 1.00 0.00 O ATOM 536 CB SER A 38 -9.067 -4.318 -2.012 1.00 0.00 C ATOM 537 OG SER A 38 -9.427 -5.460 -1.240 1.00 0.00 O ATOM 0 H SER A 38 -8.009 -2.058 -2.168 1.00 0.00 H new ATOM 0 HA SER A 38 -7.154 -4.374 -1.066 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.552 -3.434 -1.599 1.00 0.00 H new ATOM 0 HB3 SER A 38 -9.437 -4.438 -3.030 1.00 0.00 H new ATOM 0 HG SER A 38 -10.402 -5.563 -1.244 1.00 0.00 H new ATOM 543 N ARG A 39 -7.185 -4.642 -4.362 1.00 0.00 N ATOM 544 CA ARG A 39 -6.642 -5.394 -5.481 1.00 0.00 C ATOM 545 C ARG A 39 -5.127 -5.547 -5.333 1.00 0.00 C ATOM 546 O ARG A 39 -4.566 -6.580 -5.696 1.00 0.00 O ATOM 547 CB ARG A 39 -6.951 -4.703 -6.810 1.00 0.00 C ATOM 548 CG ARG A 39 -7.451 -5.709 -7.849 1.00 0.00 C ATOM 549 CD ARG A 39 -8.649 -5.152 -8.620 1.00 0.00 C ATOM 550 NE ARG A 39 -9.848 -5.140 -7.754 1.00 0.00 N ATOM 551 CZ ARG A 39 -11.100 -4.979 -8.205 1.00 0.00 C ATOM 552 NH1 ARG A 39 -11.323 -4.815 -9.516 1.00 0.00 N ATOM 553 NH2 ARG A 39 -12.127 -4.982 -7.345 1.00 0.00 N ATOM 0 H ARG A 39 -7.777 -3.854 -4.625 1.00 0.00 H new ATOM 0 HA ARG A 39 -7.111 -6.378 -5.478 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.704 -3.930 -6.655 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.055 -4.206 -7.182 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -6.647 -5.949 -8.544 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -7.733 -6.638 -7.354 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -8.431 -4.142 -8.967 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -8.836 -5.759 -9.505 1.00 0.00 H new ATOM 0 HE ARG A 39 -9.714 -5.262 -6.750 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -10.540 -4.813 -10.170 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -12.275 -4.692 -9.860 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -11.956 -5.107 -6.347 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -13.080 -4.859 -7.688 1.00 0.00 H new ATOM 567 N ILE A 40 -4.509 -4.504 -4.799 1.00 0.00 N ATOM 568 CA ILE A 40 -3.070 -4.510 -4.599 1.00 0.00 C ATOM 569 C ILE A 40 -2.725 -5.442 -3.435 1.00 0.00 C ATOM 570 O ILE A 40 -1.716 -6.145 -3.477 1.00 0.00 O ATOM 571 CB ILE A 40 -2.548 -3.083 -4.419 1.00 0.00 C ATOM 572 CG1 ILE A 40 -3.071 -2.165 -5.526 1.00 0.00 C ATOM 573 CG2 ILE A 40 -1.021 -3.064 -4.333 1.00 0.00 C ATOM 574 CD1 ILE A 40 -2.833 -0.694 -5.176 1.00 0.00 C ATOM 0 H ILE A 40 -4.978 -3.649 -4.499 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.564 -4.901 -5.482 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.928 -2.697 -3.473 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.574 -2.404 -6.466 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.137 -2.339 -5.675 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.677 -2.038 -4.205 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.697 -3.664 -3.483 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.600 -3.477 -5.250 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.214 -0.063 -5.979 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.351 -0.452 -4.248 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.765 -0.518 -5.052 1.00 0.00 H new ATOM 586 N GLN A 41 -3.581 -5.417 -2.425 1.00 0.00 N ATOM 587 CA GLN A 41 -3.380 -6.250 -1.252 1.00 0.00 C ATOM 588 C GLN A 41 -3.606 -7.722 -1.602 1.00 0.00 C ATOM 589 O GLN A 41 -2.940 -8.603 -1.060 1.00 0.00 O ATOM 590 CB GLN A 41 -4.293 -5.813 -0.105 1.00 0.00 C ATOM 591 CG GLN A 41 -3.754 -4.552 0.574 1.00 0.00 C ATOM 592 CD GLN A 41 -4.727 -4.045 1.641 1.00 0.00 C ATOM 593 OE1 GLN A 41 -4.813 -4.570 2.739 1.00 0.00 O ATOM 594 NE2 GLN A 41 -5.453 -2.999 1.257 1.00 0.00 N ATOM 0 H GLN A 41 -4.416 -4.832 -2.395 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.350 -6.130 -0.918 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.297 -5.625 -0.486 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -4.375 -6.617 0.626 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -2.787 -4.765 1.030 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -3.590 -3.775 -0.172 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.330 -2.609 0.323 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.132 -2.587 1.897 1.00 0.00 H new ATOM 603 N GLN A 42 -4.549 -7.944 -2.506 1.00 0.00 N ATOM 604 CA GLN A 42 -4.872 -9.295 -2.935 1.00 0.00 C ATOM 605 C GLN A 42 -3.922 -9.739 -4.049 1.00 0.00 C ATOM 606 O GLN A 42 -3.696 -10.933 -4.237 1.00 0.00 O ATOM 607 CB GLN A 42 -6.330 -9.393 -3.386 1.00 0.00 C ATOM 608 CG GLN A 42 -7.280 -9.330 -2.188 1.00 0.00 C ATOM 609 CD GLN A 42 -8.055 -10.641 -2.034 1.00 0.00 C ATOM 610 OE1 GLN A 42 -8.020 -11.516 -2.883 1.00 0.00 O ATOM 611 NE2 GLN A 42 -8.755 -10.725 -0.906 1.00 0.00 N ATOM 0 H GLN A 42 -5.100 -7.211 -2.953 1.00 0.00 H new ATOM 0 HA GLN A 42 -4.743 -9.966 -2.086 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.556 -8.581 -4.077 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.485 -10.326 -3.929 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.712 -9.130 -1.279 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.979 -8.503 -2.316 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -8.740 -9.955 -0.238 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -9.307 -11.560 -0.709 1.00 0.00 H new ATOM 620 N GLU A 43 -3.391 -8.754 -4.758 1.00 0.00 N ATOM 621 CA GLU A 43 -2.471 -9.029 -5.849 1.00 0.00 C ATOM 622 C GLU A 43 -1.094 -9.407 -5.299 1.00 0.00 C ATOM 623 O GLU A 43 -0.466 -10.348 -5.782 1.00 0.00 O ATOM 624 CB GLU A 43 -2.373 -7.832 -6.798 1.00 0.00 C ATOM 625 CG GLU A 43 -3.463 -7.892 -7.869 1.00 0.00 C ATOM 626 CD GLU A 43 -3.059 -8.826 -9.012 1.00 0.00 C ATOM 627 OE1 GLU A 43 -2.041 -8.514 -9.667 1.00 0.00 O ATOM 628 OE2 GLU A 43 -3.777 -9.831 -9.204 1.00 0.00 O ATOM 0 H GLU A 43 -3.580 -7.764 -4.599 1.00 0.00 H new ATOM 0 HA GLU A 43 -2.857 -9.873 -6.420 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.465 -6.905 -6.231 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.392 -7.819 -7.273 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.396 -8.238 -7.424 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.649 -6.892 -8.260 1.00 0.00 H new ATOM 635 N SER A 44 -0.665 -8.654 -4.297 1.00 0.00 N ATOM 636 CA SER A 44 0.625 -8.899 -3.676 1.00 0.00 C ATOM 637 C SER A 44 0.442 -9.699 -2.385 1.00 0.00 C ATOM 638 O SER A 44 1.418 -10.052 -1.725 1.00 0.00 O ATOM 639 CB SER A 44 1.355 -7.586 -3.387 1.00 0.00 C ATOM 640 OG SER A 44 1.345 -7.263 -1.999 1.00 0.00 O ATOM 0 H SER A 44 -1.188 -7.874 -3.900 1.00 0.00 H new ATOM 0 HA SER A 44 1.234 -9.477 -4.371 1.00 0.00 H new ATOM 0 HB2 SER A 44 2.386 -7.660 -3.734 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.886 -6.779 -3.950 1.00 0.00 H new ATOM 0 HG SER A 44 0.529 -6.764 -1.785 1.00 0.00 H new ATOM 646 N GLY A 45 -0.816 -9.962 -2.063 1.00 0.00 N ATOM 647 CA GLY A 45 -1.140 -10.714 -0.862 1.00 0.00 C ATOM 648 C GLY A 45 -0.406 -10.147 0.355 1.00 0.00 C ATOM 649 O GLY A 45 0.003 -10.894 1.241 1.00 0.00 O ATOM 0 H GLY A 45 -1.623 -9.668 -2.613 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.216 -10.684 -0.689 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.869 -11.761 -1.000 1.00 0.00 H new ATOM 653 N CYS A 46 -0.262 -8.830 0.358 1.00 0.00 N ATOM 654 CA CYS A 46 0.415 -8.153 1.451 1.00 0.00 C ATOM 655 C CYS A 46 -0.555 -7.142 2.065 1.00 0.00 C ATOM 656 O CYS A 46 -1.489 -6.691 1.403 1.00 0.00 O ATOM 657 CB CYS A 46 1.714 -7.490 0.989 1.00 0.00 C ATOM 658 SG CYS A 46 3.030 -7.758 2.231 1.00 0.00 S ATOM 0 H CYS A 46 -0.603 -8.213 -0.380 1.00 0.00 H new ATOM 0 HA CYS A 46 0.706 -8.881 2.208 1.00 0.00 H new ATOM 0 HB2 CYS A 46 2.020 -7.902 0.028 1.00 0.00 H new ATOM 0 HB3 CYS A 46 1.554 -6.422 0.841 1.00 0.00 H new ATOM 0 HG CYS A 46 2.513 -7.732 3.424 1.00 0.00 H new ATOM 664 N LYS A 47 -0.301 -6.815 3.323 1.00 0.00 N ATOM 665 CA LYS A 47 -1.140 -5.865 4.034 1.00 0.00 C ATOM 666 C LYS A 47 -0.639 -4.445 3.762 1.00 0.00 C ATOM 667 O LYS A 47 0.565 -4.219 3.648 1.00 0.00 O ATOM 668 CB LYS A 47 -1.209 -6.218 5.521 1.00 0.00 C ATOM 669 CG LYS A 47 -2.515 -5.720 6.143 1.00 0.00 C ATOM 670 CD LYS A 47 -3.170 -6.812 6.991 1.00 0.00 C ATOM 671 CE LYS A 47 -4.449 -6.298 7.654 1.00 0.00 C ATOM 672 NZ LYS A 47 -5.095 -7.373 8.439 1.00 0.00 N ATOM 0 H LYS A 47 0.474 -7.191 3.869 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.166 -5.917 3.670 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.131 -7.298 5.646 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.361 -5.775 6.043 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.317 -4.844 6.761 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.200 -5.406 5.356 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.402 -7.674 6.365 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.471 -7.152 7.755 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.215 -5.455 8.305 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.138 -5.931 6.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.962 -7.007 8.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.336 -8.165 7.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.442 -7.704 9.178 1.00 0.00 H new ATOM 686 N ILE A 48 -1.587 -3.525 3.665 1.00 0.00 N ATOM 687 CA ILE A 48 -1.257 -2.133 3.409 1.00 0.00 C ATOM 688 C ILE A 48 -2.093 -1.238 4.326 1.00 0.00 C ATOM 689 O ILE A 48 -3.281 -1.033 4.083 1.00 0.00 O ATOM 690 CB ILE A 48 -1.416 -1.810 1.922 1.00 0.00 C ATOM 691 CG1 ILE A 48 -0.428 -2.617 1.077 1.00 0.00 C ATOM 692 CG2 ILE A 48 -1.289 -0.306 1.671 1.00 0.00 C ATOM 693 CD1 ILE A 48 -0.980 -2.861 -0.329 1.00 0.00 C ATOM 0 H ILE A 48 -2.584 -3.716 3.759 1.00 0.00 H new ATOM 0 HA ILE A 48 -0.210 -1.940 3.643 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.419 -2.105 1.614 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.520 -2.084 1.012 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.224 -3.572 1.562 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.406 -0.104 0.606 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.063 0.222 2.228 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.308 0.036 2.000 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.258 -3.437 -0.908 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.916 -3.416 -0.261 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.160 -1.905 -0.820 1.00 0.00 H new ATOM 705 N GLN A 49 -1.439 -0.729 5.359 1.00 0.00 N ATOM 706 CA GLN A 49 -2.107 0.140 6.313 1.00 0.00 C ATOM 707 C GLN A 49 -1.774 1.604 6.021 1.00 0.00 C ATOM 708 O GLN A 49 -0.705 2.088 6.393 1.00 0.00 O ATOM 709 CB GLN A 49 -1.732 -0.232 7.749 1.00 0.00 C ATOM 710 CG GLN A 49 -2.830 -1.074 8.402 1.00 0.00 C ATOM 711 CD GLN A 49 -3.035 -0.672 9.864 1.00 0.00 C ATOM 712 OE1 GLN A 49 -3.214 0.489 10.195 1.00 0.00 O ATOM 713 NE2 GLN A 49 -2.997 -1.692 10.716 1.00 0.00 N ATOM 0 H GLN A 49 -0.453 -0.902 5.557 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.183 0.005 6.207 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.794 -0.787 7.752 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.568 0.674 8.332 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.763 -0.949 7.853 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.565 -2.130 8.345 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.843 -2.639 10.371 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.122 -1.527 11.715 1.00 0.00 H new ATOM 722 N ILE A 50 -2.709 2.270 5.359 1.00 0.00 N ATOM 723 CA ILE A 50 -2.528 3.670 5.013 1.00 0.00 C ATOM 724 C ILE A 50 -3.198 4.544 6.075 1.00 0.00 C ATOM 725 O ILE A 50 -4.351 4.314 6.436 1.00 0.00 O ATOM 726 CB ILE A 50 -3.025 3.939 3.592 1.00 0.00 C ATOM 727 CG1 ILE A 50 -2.578 2.831 2.635 1.00 0.00 C ATOM 728 CG2 ILE A 50 -2.587 5.323 3.110 1.00 0.00 C ATOM 729 CD1 ILE A 50 -3.062 3.109 1.210 1.00 0.00 C ATOM 0 H ILE A 50 -3.594 1.866 5.053 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.469 3.928 5.009 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.115 3.933 3.605 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.491 2.754 2.645 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -2.969 1.872 2.975 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.954 5.488 2.097 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.996 6.085 3.773 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.499 5.383 3.116 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -2.731 2.307 0.550 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.151 3.162 1.199 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.650 4.057 0.864 1.00 0.00 H new ATOM 741 N ALA A 51 -2.446 5.528 6.546 1.00 0.00 N ATOM 742 CA ALA A 51 -2.953 6.438 7.559 1.00 0.00 C ATOM 743 C ALA A 51 -4.078 7.284 6.961 1.00 0.00 C ATOM 744 O ALA A 51 -4.193 7.400 5.742 1.00 0.00 O ATOM 745 CB ALA A 51 -1.804 7.292 8.099 1.00 0.00 C ATOM 0 H ALA A 51 -1.490 5.715 6.245 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.370 5.883 8.400 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.184 7.975 8.859 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.045 6.645 8.539 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.363 7.866 7.284 1.00 0.00 H new ATOM 821 N PRO A 58 4.066 15.516 2.253 1.00 0.00 N ATOM 822 CA PRO A 58 4.240 15.439 0.812 1.00 0.00 C ATOM 823 C PRO A 58 3.953 14.027 0.299 1.00 0.00 C ATOM 824 O PRO A 58 3.576 13.847 -0.858 1.00 0.00 O ATOM 825 CB PRO A 58 5.673 15.881 0.565 1.00 0.00 C ATOM 826 CG PRO A 58 6.388 15.742 1.898 1.00 0.00 C ATOM 827 CD PRO A 58 5.332 15.568 2.978 1.00 0.00 C ATOM 0 HA PRO A 58 3.541 16.076 0.270 1.00 0.00 H new ATOM 0 HB2 PRO A 58 6.146 15.263 -0.198 1.00 0.00 H new ATOM 0 HB3 PRO A 58 5.708 16.910 0.209 1.00 0.00 H new ATOM 0 HG2 PRO A 58 7.062 14.886 1.882 1.00 0.00 H new ATOM 0 HG3 PRO A 58 6.997 16.624 2.098 1.00 0.00 H new ATOM 0 HD2 PRO A 58 5.498 14.656 3.551 1.00 0.00 H new ATOM 0 HD3 PRO A 58 5.349 16.397 3.686 1.00 0.00 H new ATOM 835 N GLU A 59 4.142 13.060 1.185 1.00 0.00 N ATOM 836 CA GLU A 59 3.908 11.669 0.837 1.00 0.00 C ATOM 837 C GLU A 59 3.094 10.977 1.932 1.00 0.00 C ATOM 838 O GLU A 59 3.327 11.202 3.119 1.00 0.00 O ATOM 839 CB GLU A 59 5.228 10.937 0.588 1.00 0.00 C ATOM 840 CG GLU A 59 5.927 11.475 -0.661 1.00 0.00 C ATOM 841 CD GLU A 59 7.312 12.030 -0.319 1.00 0.00 C ATOM 842 OE1 GLU A 59 8.255 11.211 -0.270 1.00 0.00 O ATOM 843 OE2 GLU A 59 7.395 13.260 -0.113 1.00 0.00 O ATOM 0 H GLU A 59 4.455 13.213 2.144 1.00 0.00 H new ATOM 0 HA GLU A 59 3.333 11.638 -0.089 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.881 11.053 1.453 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.040 9.870 0.472 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.023 10.679 -1.400 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.319 12.258 -1.113 1.00 0.00 H new ATOM 850 N ARG A 60 2.157 10.149 1.495 1.00 0.00 N ATOM 851 CA ARG A 60 1.307 9.423 2.424 1.00 0.00 C ATOM 852 C ARG A 60 1.994 8.131 2.871 1.00 0.00 C ATOM 853 O ARG A 60 2.172 7.211 2.075 1.00 0.00 O ATOM 854 CB ARG A 60 -0.041 9.081 1.786 1.00 0.00 C ATOM 855 CG ARG A 60 -0.797 8.047 2.622 1.00 0.00 C ATOM 856 CD ARG A 60 -1.509 8.710 3.802 1.00 0.00 C ATOM 857 NE ARG A 60 -0.591 8.805 4.959 1.00 0.00 N ATOM 858 CZ ARG A 60 -0.943 9.284 6.160 1.00 0.00 C ATOM 859 NH1 ARG A 60 -2.195 9.716 6.368 1.00 0.00 N ATOM 860 NH2 ARG A 60 -0.044 9.333 7.152 1.00 0.00 N ATOM 0 H ARG A 60 1.967 9.964 0.510 1.00 0.00 H new ATOM 0 HA ARG A 60 1.134 10.065 3.287 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.642 9.985 1.690 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.117 8.695 0.779 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.525 7.531 1.997 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.101 7.293 2.990 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -1.853 9.704 3.518 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -2.393 8.133 4.075 1.00 0.00 H new ATOM 0 HE ARG A 60 0.370 8.486 4.834 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -2.879 9.680 5.612 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -2.463 10.081 7.282 1.00 0.00 H new ATOM 0 HH21 ARG A 60 0.909 9.006 6.993 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -0.312 9.698 8.066 1.00 0.00 H new ATOM 874 N SER A 61 2.360 8.104 4.145 1.00 0.00 N ATOM 875 CA SER A 61 3.023 6.940 4.708 1.00 0.00 C ATOM 876 C SER A 61 2.073 5.740 4.698 1.00 0.00 C ATOM 877 O SER A 61 0.919 5.855 5.108 1.00 0.00 O ATOM 878 CB SER A 61 3.511 7.218 6.131 1.00 0.00 C ATOM 879 OG SER A 61 4.032 6.048 6.755 1.00 0.00 O ATOM 0 H SER A 61 2.210 8.869 4.802 1.00 0.00 H new ATOM 0 HA SER A 61 3.893 6.712 4.092 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.281 7.989 6.106 1.00 0.00 H new ATOM 0 HB3 SER A 61 2.687 7.610 6.727 1.00 0.00 H new ATOM 0 HG SER A 61 4.334 6.268 7.661 1.00 0.00 H new ATOM 885 N CYS A 62 2.593 4.618 4.224 1.00 0.00 N ATOM 886 CA CYS A 62 1.806 3.399 4.155 1.00 0.00 C ATOM 887 C CYS A 62 2.613 2.269 4.797 1.00 0.00 C ATOM 888 O CYS A 62 3.698 1.931 4.327 1.00 0.00 O ATOM 889 CB CYS A 62 1.403 3.066 2.717 1.00 0.00 C ATOM 890 SG CYS A 62 0.486 4.470 1.984 1.00 0.00 S ATOM 0 H CYS A 62 3.550 4.527 3.884 1.00 0.00 H new ATOM 0 HA CYS A 62 0.873 3.535 4.702 1.00 0.00 H new ATOM 0 HB2 CYS A 62 2.291 2.850 2.122 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.784 2.169 2.702 1.00 0.00 H new ATOM 0 HG CYS A 62 1.213 5.545 2.051 1.00 0.00 H new ATOM 896 N MET A 63 2.051 1.715 5.862 1.00 0.00 N ATOM 897 CA MET A 63 2.705 0.630 6.573 1.00 0.00 C ATOM 898 C MET A 63 2.281 -0.729 6.011 1.00 0.00 C ATOM 899 O MET A 63 1.095 -1.053 5.989 1.00 0.00 O ATOM 900 CB MET A 63 2.344 0.702 8.058 1.00 0.00 C ATOM 901 CG MET A 63 3.030 1.893 8.732 1.00 0.00 C ATOM 902 SD MET A 63 3.647 1.415 10.337 1.00 0.00 S ATOM 903 CE MET A 63 5.301 0.908 9.895 1.00 0.00 C ATOM 0 H MET A 63 1.151 1.997 6.249 1.00 0.00 H new ATOM 0 HA MET A 63 3.782 0.735 6.445 1.00 0.00 H new ATOM 0 HB2 MET A 63 1.263 0.789 8.169 1.00 0.00 H new ATOM 0 HB3 MET A 63 2.642 -0.222 8.554 1.00 0.00 H new ATOM 0 HG2 MET A 63 3.850 2.250 8.110 1.00 0.00 H new ATOM 0 HG3 MET A 63 2.325 2.718 8.835 1.00 0.00 H new ATOM 0 HE1 MET A 63 5.776 0.429 10.751 1.00 0.00 H new ATOM 0 HE2 MET A 63 5.256 0.203 9.065 1.00 0.00 H new ATOM 0 HE3 MET A 63 5.882 1.781 9.599 1.00 0.00 H new ATOM 913 N LEU A 64 3.275 -1.486 5.569 1.00 0.00 N ATOM 914 CA LEU A 64 3.020 -2.802 5.008 1.00 0.00 C ATOM 915 C LEU A 64 3.386 -3.871 6.040 1.00 0.00 C ATOM 916 O LEU A 64 4.245 -3.649 6.892 1.00 0.00 O ATOM 917 CB LEU A 64 3.745 -2.964 3.671 1.00 0.00 C ATOM 918 CG LEU A 64 3.360 -1.970 2.574 1.00 0.00 C ATOM 919 CD1 LEU A 64 4.516 -1.017 2.266 1.00 0.00 C ATOM 920 CD2 LEU A 64 2.868 -2.698 1.321 1.00 0.00 C ATOM 0 H LEU A 64 4.258 -1.213 5.588 1.00 0.00 H new ATOM 0 HA LEU A 64 1.960 -2.923 4.786 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.817 -2.880 3.849 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.561 -3.973 3.301 1.00 0.00 H new ATOM 0 HG LEU A 64 2.532 -1.363 2.940 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.215 -0.321 1.483 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.778 -0.460 3.166 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.380 -1.590 1.930 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.601 -1.968 0.557 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.659 -3.346 0.943 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.994 -3.299 1.569 1.00 0.00 H new ATOM 932 N THR A 65 2.716 -5.009 5.929 1.00 0.00 N ATOM 933 CA THR A 65 2.959 -6.113 6.841 1.00 0.00 C ATOM 934 C THR A 65 2.834 -7.450 6.107 1.00 0.00 C ATOM 935 O THR A 65 1.813 -7.722 5.476 1.00 0.00 O ATOM 936 CB THR A 65 1.994 -5.974 8.020 1.00 0.00 C ATOM 937 OG1 THR A 65 2.240 -4.662 8.517 1.00 0.00 O ATOM 938 CG2 THR A 65 2.362 -6.890 9.189 1.00 0.00 C ATOM 0 H THR A 65 2.005 -5.190 5.221 1.00 0.00 H new ATOM 0 HA THR A 65 3.977 -6.087 7.231 1.00 0.00 H new ATOM 0 HB THR A 65 0.981 -6.199 7.688 1.00 0.00 H new ATOM 0 HG1 THR A 65 1.655 -4.487 9.283 1.00 0.00 H new ATOM 0 HG21 THR A 65 1.646 -6.752 9.999 1.00 0.00 H new ATOM 0 HG22 THR A 65 2.340 -7.928 8.858 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.363 -6.643 9.544 1.00 0.00 H new ATOM 946 N GLY A 66 3.886 -8.248 6.213 1.00 0.00 N ATOM 947 CA GLY A 66 3.906 -9.549 5.567 1.00 0.00 C ATOM 948 C GLY A 66 5.312 -9.894 5.072 1.00 0.00 C ATOM 949 O GLY A 66 6.293 -9.297 5.513 1.00 0.00 O ATOM 0 H GLY A 66 4.731 -8.019 6.737 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.566 -10.312 6.267 1.00 0.00 H new ATOM 0 HA3 GLY A 66 3.210 -9.553 4.728 1.00 0.00 H new ATOM 953 N THR A 67 5.365 -10.856 4.163 1.00 0.00 N ATOM 954 CA THR A 67 6.635 -11.287 3.603 1.00 0.00 C ATOM 955 C THR A 67 7.295 -10.142 2.833 1.00 0.00 C ATOM 956 O THR A 67 6.635 -9.168 2.474 1.00 0.00 O ATOM 957 CB THR A 67 6.377 -12.527 2.744 1.00 0.00 C ATOM 958 OG1 THR A 67 5.681 -12.023 1.608 1.00 0.00 O ATOM 959 CG2 THR A 67 5.381 -13.492 3.393 1.00 0.00 C ATOM 0 H THR A 67 4.549 -11.349 3.800 1.00 0.00 H new ATOM 0 HA THR A 67 7.341 -11.558 4.388 1.00 0.00 H new ATOM 0 HB THR A 67 7.319 -13.045 2.562 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.475 -12.761 0.997 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.233 -14.354 2.743 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.771 -13.825 4.355 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.428 -12.984 3.544 1.00 0.00 H new ATOM 967 N PRO A 68 8.625 -10.300 2.597 1.00 0.00 N ATOM 968 CA PRO A 68 9.382 -9.290 1.876 1.00 0.00 C ATOM 969 C PRO A 68 9.074 -9.340 0.378 1.00 0.00 C ATOM 970 O PRO A 68 9.068 -8.308 -0.292 1.00 0.00 O ATOM 971 CB PRO A 68 10.838 -9.590 2.194 1.00 0.00 C ATOM 972 CG PRO A 68 10.869 -11.023 2.697 1.00 0.00 C ATOM 973 CD PRO A 68 9.440 -11.439 3.007 1.00 0.00 C ATOM 0 HA PRO A 68 9.123 -8.275 2.177 1.00 0.00 H new ATOM 0 HB2 PRO A 68 11.463 -9.474 1.309 1.00 0.00 H new ATOM 0 HB3 PRO A 68 11.222 -8.903 2.948 1.00 0.00 H new ATOM 0 HG2 PRO A 68 11.304 -11.682 1.946 1.00 0.00 H new ATOM 0 HG3 PRO A 68 11.491 -11.101 3.588 1.00 0.00 H new ATOM 0 HD2 PRO A 68 9.163 -12.341 2.461 1.00 0.00 H new ATOM 0 HD3 PRO A 68 9.312 -11.656 4.067 1.00 0.00 H new ATOM 981 N GLU A 69 8.827 -10.549 -0.103 1.00 0.00 N ATOM 982 CA GLU A 69 8.519 -10.746 -1.509 1.00 0.00 C ATOM 983 C GLU A 69 7.136 -10.178 -1.835 1.00 0.00 C ATOM 984 O GLU A 69 6.865 -9.813 -2.978 1.00 0.00 O ATOM 985 CB GLU A 69 8.606 -12.226 -1.887 1.00 0.00 C ATOM 986 CG GLU A 69 10.032 -12.605 -2.295 1.00 0.00 C ATOM 987 CD GLU A 69 10.023 -13.693 -3.371 1.00 0.00 C ATOM 988 OE1 GLU A 69 9.200 -13.564 -4.302 1.00 0.00 O ATOM 989 OE2 GLU A 69 10.841 -14.629 -3.237 1.00 0.00 O ATOM 0 H GLU A 69 8.834 -11.402 0.456 1.00 0.00 H new ATOM 0 HA GLU A 69 9.260 -10.209 -2.101 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.290 -12.840 -1.043 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.921 -12.436 -2.708 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.554 -11.724 -2.668 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.583 -12.956 -1.422 1.00 0.00 H new ATOM 996 N SER A 70 6.299 -10.120 -0.810 1.00 0.00 N ATOM 997 CA SER A 70 4.951 -9.602 -0.973 1.00 0.00 C ATOM 998 C SER A 70 4.960 -8.076 -0.862 1.00 0.00 C ATOM 999 O SER A 70 4.224 -7.394 -1.574 1.00 0.00 O ATOM 1000 CB SER A 70 4.001 -10.204 0.065 1.00 0.00 C ATOM 1001 OG SER A 70 3.575 -11.514 -0.299 1.00 0.00 O ATOM 0 H SER A 70 6.528 -10.423 0.137 1.00 0.00 H new ATOM 0 HA SER A 70 4.592 -9.886 -1.962 1.00 0.00 H new ATOM 0 HB2 SER A 70 4.499 -10.241 1.034 1.00 0.00 H new ATOM 0 HB3 SER A 70 3.131 -9.558 0.178 1.00 0.00 H new ATOM 0 HG SER A 70 2.779 -11.453 -0.868 1.00 0.00 H new ATOM 1007 N VAL A 71 5.801 -7.585 0.036 1.00 0.00 N ATOM 1008 CA VAL A 71 5.915 -6.152 0.249 1.00 0.00 C ATOM 1009 C VAL A 71 6.367 -5.482 -1.050 1.00 0.00 C ATOM 1010 O VAL A 71 5.779 -4.490 -1.478 1.00 0.00 O ATOM 1011 CB VAL A 71 6.854 -5.871 1.424 1.00 0.00 C ATOM 1012 CG1 VAL A 71 7.086 -4.368 1.593 1.00 0.00 C ATOM 1013 CG2 VAL A 71 6.317 -6.491 2.716 1.00 0.00 C ATOM 0 H VAL A 71 6.410 -8.154 0.624 1.00 0.00 H new ATOM 0 HA VAL A 71 4.947 -5.727 0.514 1.00 0.00 H new ATOM 0 HB VAL A 71 7.815 -6.336 1.203 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.757 -4.196 2.435 1.00 0.00 H new ATOM 0 HG12 VAL A 71 7.533 -3.964 0.684 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.134 -3.872 1.780 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.003 -6.276 3.535 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.338 -6.069 2.943 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.227 -7.570 2.592 1.00 0.00 H new ATOM 1023 N GLN A 72 7.407 -6.051 -1.642 1.00 0.00 N ATOM 1024 CA GLN A 72 7.944 -5.521 -2.883 1.00 0.00 C ATOM 1025 C GLN A 72 6.893 -5.601 -3.993 1.00 0.00 C ATOM 1026 O GLN A 72 6.626 -4.611 -4.672 1.00 0.00 O ATOM 1027 CB GLN A 72 9.223 -6.258 -3.286 1.00 0.00 C ATOM 1028 CG GLN A 72 10.381 -5.895 -2.354 1.00 0.00 C ATOM 1029 CD GLN A 72 11.727 -6.056 -3.063 1.00 0.00 C ATOM 1030 OE1 GLN A 72 12.209 -7.153 -3.294 1.00 0.00 O ATOM 1031 NE2 GLN A 72 12.305 -4.905 -3.394 1.00 0.00 N ATOM 0 H GLN A 72 7.892 -6.874 -1.285 1.00 0.00 H new ATOM 0 HA GLN A 72 8.201 -4.473 -2.727 1.00 0.00 H new ATOM 0 HB2 GLN A 72 9.052 -7.334 -3.257 1.00 0.00 H new ATOM 0 HB3 GLN A 72 9.485 -6.005 -4.313 1.00 0.00 H new ATOM 0 HG2 GLN A 72 10.268 -4.867 -2.011 1.00 0.00 H new ATOM 0 HG3 GLN A 72 10.354 -6.531 -1.469 1.00 0.00 H new ATOM 0 HE21 GLN A 72 11.847 -4.021 -3.171 1.00 0.00 H new ATOM 0 HE22 GLN A 72 13.207 -4.906 -3.871 1.00 0.00 H new ATOM 1040 N SER A 73 6.326 -6.789 -4.143 1.00 0.00 N ATOM 1041 CA SER A 73 5.311 -7.011 -5.158 1.00 0.00 C ATOM 1042 C SER A 73 4.221 -5.944 -5.050 1.00 0.00 C ATOM 1043 O SER A 73 3.805 -5.371 -6.056 1.00 0.00 O ATOM 1044 CB SER A 73 4.701 -8.408 -5.030 1.00 0.00 C ATOM 1045 OG SER A 73 5.595 -9.424 -5.476 1.00 0.00 O ATOM 0 H SER A 73 6.551 -7.608 -3.578 1.00 0.00 H new ATOM 0 HA SER A 73 5.785 -6.939 -6.137 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.433 -8.592 -3.990 1.00 0.00 H new ATOM 0 HB3 SER A 73 3.780 -8.456 -5.610 1.00 0.00 H new ATOM 0 HG SER A 73 6.158 -9.715 -4.729 1.00 0.00 H new ATOM 1051 N ALA A 74 3.788 -5.708 -3.820 1.00 0.00 N ATOM 1052 CA ALA A 74 2.754 -4.719 -3.567 1.00 0.00 C ATOM 1053 C ALA A 74 3.299 -3.325 -3.884 1.00 0.00 C ATOM 1054 O ALA A 74 2.594 -2.493 -4.454 1.00 0.00 O ATOM 1055 CB ALA A 74 2.273 -4.842 -2.120 1.00 0.00 C ATOM 0 H ALA A 74 4.135 -6.185 -2.988 1.00 0.00 H new ATOM 0 HA ALA A 74 1.893 -4.891 -4.212 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.497 -4.100 -1.930 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.868 -5.841 -1.955 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.110 -4.673 -1.443 1.00 0.00 H new ATOM 1061 N LYS A 75 4.549 -3.112 -3.500 1.00 0.00 N ATOM 1062 CA LYS A 75 5.197 -1.833 -3.736 1.00 0.00 C ATOM 1063 C LYS A 75 5.118 -1.493 -5.226 1.00 0.00 C ATOM 1064 O LYS A 75 4.825 -0.356 -5.592 1.00 0.00 O ATOM 1065 CB LYS A 75 6.623 -1.844 -3.183 1.00 0.00 C ATOM 1066 CG LYS A 75 6.634 -1.519 -1.687 1.00 0.00 C ATOM 1067 CD LYS A 75 8.065 -1.348 -1.174 1.00 0.00 C ATOM 1068 CE LYS A 75 8.778 -2.698 -1.078 1.00 0.00 C ATOM 1069 NZ LYS A 75 9.762 -2.687 0.027 1.00 0.00 N ATOM 0 H LYS A 75 5.130 -3.804 -3.027 1.00 0.00 H new ATOM 0 HA LYS A 75 4.678 -1.039 -3.199 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.074 -2.822 -3.350 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.231 -1.117 -3.721 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.067 -0.606 -1.505 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.139 -2.317 -1.134 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.618 -0.687 -1.842 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.049 -0.871 -0.194 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.048 -3.491 -0.915 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.282 -2.918 -2.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.695 -2.969 -0.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 9.822 -1.730 0.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.462 -3.354 0.766 1.00 0.00 H new ATOM 1083 N ARG A 76 5.384 -2.500 -6.045 1.00 0.00 N ATOM 1084 CA ARG A 76 5.347 -2.322 -7.486 1.00 0.00 C ATOM 1085 C ARG A 76 3.962 -1.846 -7.927 1.00 0.00 C ATOM 1086 O ARG A 76 3.844 -1.019 -8.830 1.00 0.00 O ATOM 1087 CB ARG A 76 5.685 -3.627 -8.211 1.00 0.00 C ATOM 1088 CG ARG A 76 7.196 -3.870 -8.227 1.00 0.00 C ATOM 1089 CD ARG A 76 7.745 -3.817 -9.654 1.00 0.00 C ATOM 1090 NE ARG A 76 7.085 -4.846 -10.488 1.00 0.00 N ATOM 1091 CZ ARG A 76 7.328 -5.022 -11.794 1.00 0.00 C ATOM 1092 NH1 ARG A 76 8.215 -4.239 -12.423 1.00 0.00 N ATOM 1093 NH2 ARG A 76 6.683 -5.981 -12.472 1.00 0.00 N ATOM 0 H ARG A 76 5.626 -3.442 -5.738 1.00 0.00 H new ATOM 0 HA ARG A 76 6.093 -1.571 -7.746 1.00 0.00 H new ATOM 0 HB2 ARG A 76 5.184 -4.461 -7.719 1.00 0.00 H new ATOM 0 HB3 ARG A 76 5.309 -3.587 -9.233 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.695 -3.120 -7.614 1.00 0.00 H new ATOM 0 HG3 ARG A 76 7.416 -4.842 -7.785 1.00 0.00 H new ATOM 0 HD2 ARG A 76 7.577 -2.828 -10.081 1.00 0.00 H new ATOM 0 HD3 ARG A 76 8.823 -3.981 -9.644 1.00 0.00 H new ATOM 0 HE ARG A 76 6.403 -5.459 -10.041 1.00 0.00 H new ATOM 0 HH11 ARG A 76 8.706 -3.508 -11.908 1.00 0.00 H new ATOM 0 HH12 ARG A 76 8.399 -4.374 -13.417 1.00 0.00 H new ATOM 0 HH21 ARG A 76 6.007 -6.577 -11.994 1.00 0.00 H new ATOM 0 HH22 ARG A 76 6.868 -6.115 -13.466 1.00 0.00 H new ATOM 1107 N LEU A 77 2.948 -2.389 -7.269 1.00 0.00 N ATOM 1108 CA LEU A 77 1.575 -2.030 -7.581 1.00 0.00 C ATOM 1109 C LEU A 77 1.311 -0.593 -7.125 1.00 0.00 C ATOM 1110 O LEU A 77 0.657 0.175 -7.829 1.00 0.00 O ATOM 1111 CB LEU A 77 0.605 -3.052 -6.985 1.00 0.00 C ATOM 1112 CG LEU A 77 0.493 -4.384 -7.729 1.00 0.00 C ATOM 1113 CD1 LEU A 77 0.376 -5.552 -6.748 1.00 0.00 C ATOM 1114 CD2 LEU A 77 -0.665 -4.358 -8.730 1.00 0.00 C ATOM 0 H LEU A 77 3.050 -3.075 -6.521 1.00 0.00 H new ATOM 0 HA LEU A 77 1.410 -2.058 -8.658 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.909 -3.256 -5.959 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.386 -2.600 -6.940 1.00 0.00 H new ATOM 0 HG LEU A 77 1.409 -4.534 -8.300 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.298 -6.487 -7.303 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.259 -5.581 -6.110 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.513 -5.421 -6.131 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.722 -5.317 -9.245 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.600 -4.174 -8.200 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.499 -3.564 -9.458 1.00 0.00 H new ATOM 1126 N LEU A 78 1.835 -0.274 -5.951 1.00 0.00 N ATOM 1127 CA LEU A 78 1.665 1.057 -5.393 1.00 0.00 C ATOM 1128 C LEU A 78 2.484 2.057 -6.212 1.00 0.00 C ATOM 1129 O LEU A 78 2.027 3.168 -6.477 1.00 0.00 O ATOM 1130 CB LEU A 78 2.004 1.060 -3.901 1.00 0.00 C ATOM 1131 CG LEU A 78 1.185 0.110 -3.025 1.00 0.00 C ATOM 1132 CD1 LEU A 78 1.753 0.045 -1.606 1.00 0.00 C ATOM 1133 CD2 LEU A 78 -0.296 0.496 -3.033 1.00 0.00 C ATOM 0 H LEU A 78 2.377 -0.914 -5.371 1.00 0.00 H new ATOM 0 HA LEU A 78 0.622 1.368 -5.460 1.00 0.00 H new ATOM 0 HB2 LEU A 78 3.059 0.808 -3.788 1.00 0.00 H new ATOM 0 HB3 LEU A 78 1.876 2.074 -3.522 1.00 0.00 H new ATOM 0 HG LEU A 78 1.259 -0.892 -3.447 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.152 -0.637 -1.004 1.00 0.00 H new ATOM 0 HD12 LEU A 78 2.782 -0.313 -1.642 1.00 0.00 H new ATOM 0 HD13 LEU A 78 1.730 1.039 -1.159 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.856 -0.195 -2.403 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.410 1.510 -2.650 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.679 0.448 -4.052 1.00 0.00 H new ATOM 1145 N ASP A 79 3.679 1.627 -6.589 1.00 0.00 N ATOM 1146 CA ASP A 79 4.565 2.471 -7.371 1.00 0.00 C ATOM 1147 C ASP A 79 3.970 2.673 -8.766 1.00 0.00 C ATOM 1148 O ASP A 79 3.931 3.793 -9.272 1.00 0.00 O ATOM 1149 CB ASP A 79 5.941 1.823 -7.534 1.00 0.00 C ATOM 1150 CG ASP A 79 7.119 2.799 -7.541 1.00 0.00 C ATOM 1151 OD1 ASP A 79 7.127 3.673 -8.435 1.00 0.00 O ATOM 1152 OD2 ASP A 79 7.986 2.649 -6.653 1.00 0.00 O ATOM 0 H ASP A 79 4.054 0.705 -6.367 1.00 0.00 H new ATOM 0 HA ASP A 79 4.673 3.421 -6.848 1.00 0.00 H new ATOM 0 HB2 ASP A 79 6.087 1.107 -6.725 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.952 1.258 -8.466 1.00 0.00 H new ATOM 1157 N GLN A 80 3.521 1.571 -9.349 1.00 0.00 N ATOM 1158 CA GLN A 80 2.930 1.613 -10.675 1.00 0.00 C ATOM 1159 C GLN A 80 1.888 2.730 -10.757 1.00 0.00 C ATOM 1160 O GLN A 80 1.970 3.598 -11.625 1.00 0.00 O ATOM 1161 CB GLN A 80 2.314 0.261 -11.044 1.00 0.00 C ATOM 1162 CG GLN A 80 3.179 -0.473 -12.070 1.00 0.00 C ATOM 1163 CD GLN A 80 2.489 -0.522 -13.435 1.00 0.00 C ATOM 1164 OE1 GLN A 80 2.470 0.440 -14.185 1.00 0.00 O ATOM 1165 NE2 GLN A 80 1.924 -1.693 -13.714 1.00 0.00 N ATOM 0 H GLN A 80 3.555 0.643 -8.927 1.00 0.00 H new ATOM 0 HA GLN A 80 3.719 1.825 -11.396 1.00 0.00 H new ATOM 0 HB2 GLN A 80 2.208 -0.351 -10.148 1.00 0.00 H new ATOM 0 HB3 GLN A 80 1.313 0.411 -11.448 1.00 0.00 H new ATOM 0 HG2 GLN A 80 4.142 0.028 -12.163 1.00 0.00 H new ATOM 0 HG3 GLN A 80 3.379 -1.487 -11.723 1.00 0.00 H new ATOM 0 HE21 GLN A 80 1.977 -2.458 -13.041 1.00 0.00 H new ATOM 0 HE22 GLN A 80 1.438 -1.826 -14.601 1.00 0.00 H new ATOM 1174 N ILE A 81 0.932 2.673 -9.841 1.00 0.00 N ATOM 1175 CA ILE A 81 -0.124 3.669 -9.798 1.00 0.00 C ATOM 1176 C ILE A 81 0.475 5.053 -10.056 1.00 0.00 C ATOM 1177 O ILE A 81 0.067 5.747 -10.986 1.00 0.00 O ATOM 1178 CB ILE A 81 -0.901 3.570 -8.484 1.00 0.00 C ATOM 1179 CG1 ILE A 81 -1.775 2.315 -8.457 1.00 0.00 C ATOM 1180 CG2 ILE A 81 -1.715 4.841 -8.232 1.00 0.00 C ATOM 1181 CD1 ILE A 81 -2.369 2.089 -7.065 1.00 0.00 C ATOM 0 H ILE A 81 0.867 1.952 -9.123 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.853 3.485 -10.587 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.183 3.480 -7.669 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -2.578 2.411 -9.188 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.182 1.448 -8.748 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -2.258 4.745 -7.292 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -1.044 5.698 -8.177 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -2.424 4.987 -9.047 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -2.986 1.190 -7.074 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -1.563 1.969 -6.341 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -2.982 2.947 -6.787 1.00 0.00 H new ATOM 1193 N VAL A 82 1.434 5.413 -9.215 1.00 0.00 N ATOM 1194 CA VAL A 82 2.093 6.702 -9.340 1.00 0.00 C ATOM 1195 C VAL A 82 2.515 6.915 -10.795 1.00 0.00 C ATOM 1196 O VAL A 82 2.026 7.827 -11.460 1.00 0.00 O ATOM 1197 CB VAL A 82 3.265 6.787 -8.360 1.00 0.00 C ATOM 1198 CG1 VAL A 82 4.092 8.051 -8.603 1.00 0.00 C ATOM 1199 CG2 VAL A 82 2.774 6.723 -6.912 1.00 0.00 C ATOM 0 H VAL A 82 1.770 4.835 -8.445 1.00 0.00 H new ATOM 0 HA VAL A 82 1.408 7.508 -9.078 1.00 0.00 H new ATOM 0 HB VAL A 82 3.910 5.926 -8.534 1.00 0.00 H new ATOM 0 HG11 VAL A 82 4.919 8.087 -7.893 1.00 0.00 H new ATOM 0 HG12 VAL A 82 4.486 8.038 -9.619 1.00 0.00 H new ATOM 0 HG13 VAL A 82 3.461 8.930 -8.470 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.626 6.785 -6.236 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.097 7.555 -6.720 1.00 0.00 H new ATOM 0 HG23 VAL A 82 2.248 5.782 -6.747 1.00 0.00 H new