USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 629 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 75 ASN :FLIP amide:sc= -0.198 F(o=-1.1,f=-0.2) USER MOD Set 1.2: B 648 THR OG1 : rot -160:sc= -0.0026 USER MOD Set 2.1: A 66 ASN :FLIP amide:sc= -0.0754 F(o=0.33,f=1.2) USER MOD Set 2.2: A 67 THR OG1 : rot 82:sc= 1.27 USER MOD Set 3.1: A 25 MET CE :methyl -142:sc= -2.24 (180deg=-7.1!) USER MOD Set 3.2: B 663 MET CE :methyl -153:sc= -0.0999 (180deg=-0.0803) USER MOD Single : A 21 LYS NZ :NH3+ 146:sc= 0 (180deg=-1.41) USER MOD Single : A 27 HIS : no HE2:sc= -0.41 K(o=-0.41,f=-1.5) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.00771 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.081) USER MOD Single : A 55 HIS :FLIP no HD1:sc= -0.128 F(o=-0.77,f=-0.13) USER MOD Single : A 64 LYS NZ :NH3+ -174:sc= -0.788 (180deg=-0.801) USER MOD Single : A 73 GLN : amide:sc= -0.057 X(o=-0.057,f=-0.032) USER MOD Single : B 622 TYR OH : rot 180:sc= 0 USER MOD Single : B 625 THR OG1 : rot 180:sc= 0 USER MOD Single : B 627 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 628 SER OG : rot 180:sc= 0 USER MOD Single : B 637 GLN : amide:sc= -0.716 X(o=-0.72,f=-1.1) USER MOD Single : B 641 GLN : amide:sc= -1.24 K(o=-1.2,f=-3!) USER MOD Single : B 642 SER OG : rot 180:sc= 0 USER MOD Single : B 645 GLN : amide:sc= 0.0956 X(o=0.096,f=0) USER MOD Single : B 651 THR OG1 : rot 180:sc= 0 USER MOD Single : B 652 TYR OH : rot 180:sc= 0 USER MOD Single : B 653 GLN : amide:sc= -0.0048 K(o=-0.0048,f=-1.1) USER MOD Single : B 656 GLN : amide:sc= -0.145 K(o=-0.14,f=-1) USER MOD Single : B 658 GLN : amide:sc= -0.75 K(o=-0.75,f=-4.7!) USER MOD Single : B 660 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 661 GLN : amide:sc= -0.306 X(o=-0.31,f=-0.51) USER MOD Single : B 670 TYR OH : rot 180:sc= 0 USER MOD Single : B 671 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 673 MET CE :methyl -156:sc= 0 (180deg=-0.227) USER MOD ----------------------------------------------------------------- ATOM 222 N ALA A 17 -7.692 -16.431 6.623 1.00 0.00 N ATOM 223 CA ALA A 17 -6.912 -15.435 7.347 1.00 0.00 C ATOM 224 C ALA A 17 -6.486 -14.296 6.425 1.00 0.00 C ATOM 225 O ALA A 17 -6.397 -13.143 6.847 1.00 0.00 O ATOM 226 CB ALA A 17 -5.694 -16.081 7.988 1.00 0.00 C ATOM 0 HA ALA A 17 -7.542 -15.017 8.132 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.121 -15.325 8.525 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.017 -16.855 8.685 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.069 -16.527 7.214 1.00 0.00 H new ATOM 232 N PHE A 18 -6.224 -14.628 5.165 1.00 0.00 N ATOM 233 CA PHE A 18 -5.805 -13.634 4.184 1.00 0.00 C ATOM 234 C PHE A 18 -6.880 -12.566 3.999 1.00 0.00 C ATOM 235 O PHE A 18 -6.600 -11.370 4.066 1.00 0.00 O ATOM 236 CB PHE A 18 -5.501 -14.305 2.844 1.00 0.00 C ATOM 237 CG PHE A 18 -4.707 -13.440 1.906 1.00 0.00 C ATOM 238 CD1 PHE A 18 -5.345 -12.573 1.035 1.00 0.00 C ATOM 239 CD2 PHE A 18 -3.323 -13.495 1.897 1.00 0.00 C ATOM 240 CE1 PHE A 18 -4.618 -11.776 0.171 1.00 0.00 C ATOM 241 CE2 PHE A 18 -2.590 -12.700 1.036 1.00 0.00 C ATOM 242 CZ PHE A 18 -3.238 -11.839 0.172 1.00 0.00 C ATOM 0 H PHE A 18 -6.294 -15.578 4.799 1.00 0.00 H new ATOM 0 HA PHE A 18 -4.900 -13.153 4.555 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.952 -15.229 3.026 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -6.440 -14.581 2.364 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -6.424 -12.519 1.031 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.811 -14.167 2.570 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.128 -11.105 -0.504 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.511 -12.752 1.039 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.667 -11.217 -0.501 1.00 0.00 H new ATOM 251 N ALA A 19 -8.111 -13.009 3.766 1.00 0.00 N ATOM 252 CA ALA A 19 -9.228 -12.093 3.573 1.00 0.00 C ATOM 253 C ALA A 19 -9.344 -11.115 4.737 1.00 0.00 C ATOM 254 O ALA A 19 -9.651 -9.939 4.543 1.00 0.00 O ATOM 255 CB ALA A 19 -10.525 -12.871 3.404 1.00 0.00 C ATOM 0 H ALA A 19 -8.360 -13.996 3.706 1.00 0.00 H new ATOM 0 HA ALA A 19 -9.041 -11.517 2.666 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -11.351 -12.174 3.261 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -10.447 -13.525 2.535 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -10.708 -13.472 4.295 1.00 0.00 H new ATOM 261 N ALA A 20 -9.097 -11.609 5.946 1.00 0.00 N ATOM 262 CA ALA A 20 -9.172 -10.777 7.141 1.00 0.00 C ATOM 263 C ALA A 20 -8.244 -9.572 7.030 1.00 0.00 C ATOM 264 O ALA A 20 -8.592 -8.467 7.448 1.00 0.00 O ATOM 265 CB ALA A 20 -8.832 -11.597 8.376 1.00 0.00 C ATOM 0 H ALA A 20 -8.843 -12.581 6.124 1.00 0.00 H new ATOM 0 HA ALA A 20 -10.193 -10.408 7.234 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.892 -10.964 9.261 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -9.539 -12.421 8.471 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -7.821 -11.995 8.282 1.00 0.00 H new ATOM 271 N LYS A 21 -7.061 -9.792 6.466 1.00 0.00 N ATOM 272 CA LYS A 21 -6.081 -8.725 6.301 1.00 0.00 C ATOM 273 C LYS A 21 -6.555 -7.708 5.266 1.00 0.00 C ATOM 274 O LYS A 21 -6.376 -6.503 5.439 1.00 0.00 O ATOM 275 CB LYS A 21 -4.730 -9.305 5.878 1.00 0.00 C ATOM 276 CG LYS A 21 -4.044 -10.105 6.973 1.00 0.00 C ATOM 277 CD LYS A 21 -2.724 -9.473 7.382 1.00 0.00 C ATOM 278 CE LYS A 21 -2.935 -8.118 8.040 1.00 0.00 C ATOM 279 NZ LYS A 21 -2.124 -7.972 9.281 1.00 0.00 N ATOM 0 H LYS A 21 -6.758 -10.700 6.115 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.968 -8.218 7.259 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.875 -9.945 5.008 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.075 -8.491 5.569 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.700 -10.173 7.841 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.869 -11.123 6.626 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.200 -10.136 8.071 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.087 -9.358 6.505 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.670 -7.328 7.338 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.991 -7.991 8.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.821 -6.982 9.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.697 -8.245 10.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.287 -8.586 9.223 1.00 0.00 H new ATOM 289 N ALA A 22 -7.161 -8.203 4.192 1.00 0.00 N ATOM 290 CA ALA A 22 -7.663 -7.337 3.132 1.00 0.00 C ATOM 291 C ALA A 22 -8.643 -6.307 3.682 1.00 0.00 C ATOM 292 O ALA A 22 -8.515 -5.112 3.420 1.00 0.00 O ATOM 293 CB ALA A 22 -8.324 -8.166 2.041 1.00 0.00 C ATOM 0 H ALA A 22 -7.316 -9.198 4.033 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.816 -6.802 2.704 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -8.694 -7.506 1.256 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.596 -8.859 1.619 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.156 -8.728 2.465 1.00 0.00 H new ATOM 299 N GLY A 23 -9.622 -6.778 4.448 1.00 0.00 N ATOM 300 CA GLY A 23 -10.610 -5.884 5.023 1.00 0.00 C ATOM 301 C GLY A 23 -10.026 -4.987 6.095 1.00 0.00 C ATOM 302 O GLY A 23 -10.520 -3.883 6.330 1.00 0.00 O ATOM 0 H GLY A 23 -9.749 -7.763 4.681 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.041 -5.268 4.234 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.423 -6.472 5.449 1.00 0.00 H new ATOM 306 N LEU A 24 -8.972 -5.460 6.751 1.00 0.00 N ATOM 307 CA LEU A 24 -8.319 -4.692 7.806 1.00 0.00 C ATOM 308 C LEU A 24 -7.485 -3.559 7.219 1.00 0.00 C ATOM 309 O LEU A 24 -7.364 -2.490 7.818 1.00 0.00 O ATOM 310 CB LEU A 24 -7.433 -5.607 8.655 1.00 0.00 C ATOM 311 CG LEU A 24 -7.821 -5.739 10.128 1.00 0.00 C ATOM 312 CD1 LEU A 24 -7.576 -4.430 10.864 1.00 0.00 C ATOM 313 CD2 LEU A 24 -9.276 -6.164 10.261 1.00 0.00 C ATOM 0 H LEU A 24 -8.551 -6.372 6.571 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.094 -4.257 8.438 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.438 -6.601 8.208 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.408 -5.239 8.601 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.196 -6.509 10.581 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.858 -4.543 11.911 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.520 -4.168 10.799 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -8.174 -3.640 10.410 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.534 -6.253 11.316 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -9.917 -5.418 9.792 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.420 -7.126 9.770 1.00 0.00 H new ATOM 324 N MET A 25 -6.914 -3.798 6.044 1.00 0.00 N ATOM 325 CA MET A 25 -6.094 -2.795 5.375 1.00 0.00 C ATOM 326 C MET A 25 -6.911 -1.543 5.068 1.00 0.00 C ATOM 327 O MET A 25 -6.572 -0.446 5.513 1.00 0.00 O ATOM 328 CB MET A 25 -5.507 -3.365 4.082 1.00 0.00 C ATOM 329 CG MET A 25 -4.817 -2.323 3.217 1.00 0.00 C ATOM 330 SD MET A 25 -3.419 -2.997 2.299 1.00 0.00 S ATOM 331 CE MET A 25 -2.068 -2.611 3.410 1.00 0.00 C ATOM 0 H MET A 25 -7.004 -4.677 5.535 1.00 0.00 H new ATOM 0 HA MET A 25 -5.279 -2.521 6.045 1.00 0.00 H new ATOM 0 HB2 MET A 25 -4.792 -4.149 4.332 1.00 0.00 H new ATOM 0 HB3 MET A 25 -6.305 -3.833 3.506 1.00 0.00 H new ATOM 0 HG2 MET A 25 -5.538 -1.903 2.516 1.00 0.00 H new ATOM 0 HG3 MET A 25 -4.471 -1.504 3.848 1.00 0.00 H new ATOM 0 HE1 MET A 25 -1.193 -2.317 2.830 1.00 0.00 H new ATOM 0 HE2 MET A 25 -2.360 -1.792 4.067 1.00 0.00 H new ATOM 0 HE3 MET A 25 -1.828 -3.489 4.010 1.00 0.00 H new ATOM 339 N ARG A 26 -7.985 -1.714 4.304 1.00 0.00 N ATOM 340 CA ARG A 26 -8.848 -0.598 3.937 1.00 0.00 C ATOM 341 C ARG A 26 -9.281 0.184 5.173 1.00 0.00 C ATOM 342 O ARG A 26 -9.401 1.408 5.136 1.00 0.00 O ATOM 343 CB ARG A 26 -10.078 -1.104 3.182 1.00 0.00 C ATOM 344 CG ARG A 26 -9.770 -1.606 1.781 1.00 0.00 C ATOM 345 CD ARG A 26 -11.017 -2.141 1.095 1.00 0.00 C ATOM 346 NE ARG A 26 -11.380 -3.470 1.578 1.00 0.00 N ATOM 347 CZ ARG A 26 -12.434 -4.149 1.141 1.00 0.00 C ATOM 348 NH1 ARG A 26 -13.226 -3.626 0.215 1.00 0.00 N ATOM 349 NH2 ARG A 26 -12.700 -5.354 1.631 1.00 0.00 N ATOM 0 H ARG A 26 -8.278 -2.615 3.927 1.00 0.00 H new ATOM 0 HA ARG A 26 -8.281 0.069 3.288 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -10.539 -1.909 3.754 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -10.810 -0.299 3.117 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -9.346 -0.796 1.188 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -9.016 -2.392 1.832 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -11.847 -1.455 1.265 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -10.850 -2.180 0.019 1.00 0.00 H new ATOM 0 HE ARG A 26 -10.791 -3.901 2.291 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -13.026 -2.700 -0.163 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -14.035 -4.150 -0.119 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -12.094 -5.760 2.344 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -13.510 -5.874 1.294 1.00 0.00 H new ATOM 360 N HIS A 27 -9.515 -0.533 6.268 1.00 0.00 N ATOM 361 CA HIS A 27 -9.936 0.093 7.517 1.00 0.00 C ATOM 362 C HIS A 27 -8.887 1.088 8.006 1.00 0.00 C ATOM 363 O HIS A 27 -9.215 2.205 8.409 1.00 0.00 O ATOM 364 CB HIS A 27 -10.185 -0.970 8.587 1.00 0.00 C ATOM 365 CG HIS A 27 -10.461 -0.401 9.944 1.00 0.00 C ATOM 366 ND1 HIS A 27 -10.984 0.861 10.140 1.00 0.00 N ATOM 367 CD2 HIS A 27 -10.284 -0.928 11.178 1.00 0.00 C ATOM 368 CE1 HIS A 27 -11.115 1.085 11.435 1.00 0.00 C ATOM 369 NE2 HIS A 27 -10.699 0.014 12.087 1.00 0.00 N ATOM 0 H HIS A 27 -9.420 -1.547 6.316 1.00 0.00 H new ATOM 0 HA HIS A 27 -10.864 0.633 7.329 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -11.029 -1.589 8.283 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -9.315 -1.624 8.647 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -11.231 1.518 9.400 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -9.890 -1.907 11.406 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -11.497 1.990 11.884 1.00 0.00 H new ATOM 376 N THR A 28 -7.624 0.675 7.967 1.00 0.00 N ATOM 377 CA THR A 28 -6.528 1.528 8.408 1.00 0.00 C ATOM 378 C THR A 28 -6.403 2.765 7.524 1.00 0.00 C ATOM 379 O THR A 28 -5.970 3.823 7.979 1.00 0.00 O ATOM 380 CB THR A 28 -5.187 0.770 8.401 1.00 0.00 C ATOM 381 OG1 THR A 28 -5.384 -0.575 8.852 1.00 0.00 O ATOM 382 CG2 THR A 28 -4.168 1.464 9.292 1.00 0.00 C ATOM 0 H THR A 28 -7.335 -0.245 7.634 1.00 0.00 H new ATOM 0 HA THR A 28 -6.759 1.835 9.428 1.00 0.00 H new ATOM 0 HB THR A 28 -4.806 0.760 7.380 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.528 -1.052 8.843 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.229 0.910 9.271 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.999 2.478 8.930 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.544 1.501 10.314 1.00 0.00 H new ATOM 390 N ILE A 29 -6.786 2.623 6.259 1.00 0.00 N ATOM 391 CA ILE A 29 -6.718 3.728 5.313 1.00 0.00 C ATOM 392 C ILE A 29 -7.708 4.829 5.681 1.00 0.00 C ATOM 393 O ILE A 29 -7.353 6.006 5.735 1.00 0.00 O ATOM 394 CB ILE A 29 -7.004 3.257 3.875 1.00 0.00 C ATOM 395 CG1 ILE A 29 -6.005 2.175 3.462 1.00 0.00 C ATOM 396 CG2 ILE A 29 -6.948 4.433 2.911 1.00 0.00 C ATOM 397 CD1 ILE A 29 -4.561 2.623 3.540 1.00 0.00 C ATOM 0 H ILE A 29 -7.146 1.753 5.867 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.703 4.123 5.362 1.00 0.00 H new ATOM 0 HB ILE A 29 -8.007 2.832 3.840 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.141 1.303 4.102 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.224 1.860 2.442 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -7.152 4.084 1.899 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -7.695 5.174 3.197 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -5.957 4.885 2.946 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -3.909 1.805 3.233 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.409 3.476 2.879 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.324 2.911 4.564 1.00 0.00 H new ATOM 408 N GLY A 30 -8.953 4.437 5.936 1.00 0.00 N ATOM 409 CA GLY A 30 -9.975 5.401 6.298 1.00 0.00 C ATOM 410 C GLY A 30 -9.700 6.063 7.633 1.00 0.00 C ATOM 411 O GLY A 30 -10.051 7.225 7.842 1.00 0.00 O ATOM 0 H GLY A 30 -9.272 3.469 5.898 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.040 6.165 5.523 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -10.943 4.902 6.336 1.00 0.00 H new ATOM 415 N GLN A 31 -9.074 5.322 8.542 1.00 0.00 N ATOM 416 CA GLN A 31 -8.756 5.844 9.865 1.00 0.00 C ATOM 417 C GLN A 31 -7.615 6.854 9.792 1.00 0.00 C ATOM 418 O GLN A 31 -7.633 7.877 10.477 1.00 0.00 O ATOM 419 CB GLN A 31 -8.380 4.702 10.812 1.00 0.00 C ATOM 420 CG GLN A 31 -9.370 4.503 11.948 1.00 0.00 C ATOM 421 CD GLN A 31 -9.035 5.339 13.167 1.00 0.00 C ATOM 422 OE1 GLN A 31 -8.188 4.962 13.979 1.00 0.00 O ATOM 423 NE2 GLN A 31 -9.699 6.481 13.303 1.00 0.00 N ATOM 0 H GLN A 31 -8.777 4.359 8.386 1.00 0.00 H new ATOM 0 HA GLN A 31 -9.642 6.349 10.250 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.305 3.777 10.240 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.393 4.899 11.231 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -10.371 4.758 11.601 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.389 3.450 12.228 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -10.392 6.754 12.606 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -9.516 7.085 14.104 1.00 0.00 H new ATOM 430 N ALA A 32 -6.624 6.560 8.958 1.00 0.00 N ATOM 431 CA ALA A 32 -5.476 7.443 8.794 1.00 0.00 C ATOM 432 C ALA A 32 -5.826 8.644 7.920 1.00 0.00 C ATOM 433 O ALA A 32 -5.406 9.766 8.194 1.00 0.00 O ATOM 434 CB ALA A 32 -4.303 6.680 8.199 1.00 0.00 C ATOM 0 H ALA A 32 -6.593 5.717 8.385 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.192 7.814 9.779 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.453 7.352 8.082 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.028 5.860 8.862 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.585 6.280 7.225 1.00 0.00 H new ATOM 440 N GLU A 33 -6.598 8.396 6.866 1.00 0.00 N ATOM 441 CA GLU A 33 -7.003 9.457 5.952 1.00 0.00 C ATOM 442 C GLU A 33 -7.766 10.552 6.692 1.00 0.00 C ATOM 443 O GLU A 33 -7.426 11.732 6.596 1.00 0.00 O ATOM 444 CB GLU A 33 -7.871 8.888 4.827 1.00 0.00 C ATOM 445 CG GLU A 33 -7.085 8.515 3.581 1.00 0.00 C ATOM 446 CD GLU A 33 -7.970 8.342 2.362 1.00 0.00 C ATOM 447 OE1 GLU A 33 -9.179 8.643 2.459 1.00 0.00 O ATOM 448 OE2 GLU A 33 -7.455 7.907 1.312 1.00 0.00 O ATOM 0 H GLU A 33 -6.955 7.471 6.625 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.102 9.893 5.522 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -8.394 8.005 5.194 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.632 9.621 4.560 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -6.343 9.287 3.380 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -6.540 7.589 3.764 1.00 0.00 H new ATOM 658 N PHE A 51 -4.470 20.496 -1.247 1.00 0.00 N ATOM 659 CA PHE A 51 -4.681 19.247 -0.527 1.00 0.00 C ATOM 660 C PHE A 51 -5.341 18.204 -1.425 1.00 0.00 C ATOM 661 O PHE A 51 -5.067 17.010 -1.314 1.00 0.00 O ATOM 662 CB PHE A 51 -5.544 19.487 0.713 1.00 0.00 C ATOM 663 CG PHE A 51 -5.966 18.222 1.404 1.00 0.00 C ATOM 664 CD1 PHE A 51 -7.130 17.569 1.032 1.00 0.00 C ATOM 665 CD2 PHE A 51 -5.200 17.687 2.427 1.00 0.00 C ATOM 666 CE1 PHE A 51 -7.521 16.405 1.667 1.00 0.00 C ATOM 667 CE2 PHE A 51 -5.586 16.523 3.064 1.00 0.00 C ATOM 668 CZ PHE A 51 -6.748 15.882 2.684 1.00 0.00 C ATOM 0 HA PHE A 51 -3.707 18.869 -0.216 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.990 20.108 1.417 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -6.433 20.048 0.424 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -7.739 17.974 0.237 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -4.291 18.185 2.730 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -8.430 15.905 1.368 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -4.979 16.115 3.859 1.00 0.00 H new ATOM 0 HZ PHE A 51 -7.052 14.973 3.182 1.00 0.00 H new ATOM 677 N GLN A 52 -6.213 18.667 -2.316 1.00 0.00 N ATOM 678 CA GLN A 52 -6.914 17.776 -3.233 1.00 0.00 C ATOM 679 C GLN A 52 -5.925 16.956 -4.056 1.00 0.00 C ATOM 680 O GLN A 52 -5.998 15.728 -4.086 1.00 0.00 O ATOM 681 CB GLN A 52 -7.826 18.580 -4.161 1.00 0.00 C ATOM 682 CG GLN A 52 -8.604 17.719 -5.144 1.00 0.00 C ATOM 683 CD GLN A 52 -10.013 17.423 -4.672 1.00 0.00 C ATOM 684 OE1 GLN A 52 -10.815 18.334 -4.464 1.00 0.00 O ATOM 685 NE2 GLN A 52 -10.324 16.143 -4.501 1.00 0.00 N ATOM 0 H GLN A 52 -6.450 19.653 -2.422 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.523 17.091 -2.642 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -8.529 19.154 -3.558 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.223 19.298 -4.717 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.647 18.224 -6.109 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -8.072 16.780 -5.299 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -9.628 15.420 -4.685 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -11.258 15.883 -4.186 1.00 0.00 H new ATOM 692 N ALA A 53 -5.005 17.644 -4.723 1.00 0.00 N ATOM 693 CA ALA A 53 -4.001 16.979 -5.546 1.00 0.00 C ATOM 694 C ALA A 53 -3.290 15.880 -4.762 1.00 0.00 C ATOM 695 O ALA A 53 -3.025 14.801 -5.291 1.00 0.00 O ATOM 696 CB ALA A 53 -2.995 17.991 -6.071 1.00 0.00 C ATOM 0 H ALA A 53 -4.933 18.661 -4.710 1.00 0.00 H new ATOM 0 HA ALA A 53 -4.508 16.516 -6.392 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -2.252 17.481 -6.684 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.511 18.738 -6.674 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -2.500 18.481 -5.232 1.00 0.00 H new ATOM 702 N ALA A 54 -2.983 16.163 -3.500 1.00 0.00 N ATOM 703 CA ALA A 54 -2.303 15.198 -2.645 1.00 0.00 C ATOM 704 C ALA A 54 -3.255 14.091 -2.202 1.00 0.00 C ATOM 705 O ALA A 54 -2.837 12.957 -1.966 1.00 0.00 O ATOM 706 CB ALA A 54 -1.705 15.897 -1.433 1.00 0.00 C ATOM 0 H ALA A 54 -3.194 17.052 -3.048 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.499 14.741 -3.222 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.200 15.165 -0.803 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.987 16.648 -1.763 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.499 16.380 -0.863 1.00 0.00 H new ATOM 712 N HIS A 55 -4.536 14.428 -2.092 1.00 0.00 N ATOM 713 CA HIS A 55 -5.547 13.461 -1.678 1.00 0.00 C ATOM 714 C HIS A 55 -5.866 12.489 -2.809 1.00 0.00 C ATOM 715 O HIS A 55 -6.163 11.318 -2.570 1.00 0.00 O ATOM 716 CB HIS A 55 -6.821 14.182 -1.235 1.00 0.00 C ATOM 717 CG HIS A 55 -7.963 13.257 -0.949 1.00 0.00 C ATOM 718 ND1 HIS A 55 -8.784 12.578 -1.785 1.00 0.00 N flip ATOM 719 CD2 HIS A 55 -8.376 12.942 0.329 1.00 0.00 C flip ATOM 720 CE1 HIS A 55 -9.667 11.872 -1.005 1.00 0.00 C flip ATOM 721 NE2 HIS A 55 -9.399 12.110 0.267 1.00 0.00 N flip ATOM 0 H HIS A 55 -4.898 15.362 -2.283 1.00 0.00 H new ATOM 0 HA HIS A 55 -5.148 12.893 -0.837 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -6.605 14.767 -0.341 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -7.120 14.885 -2.012 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -7.931 13.318 1.239 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -10.452 11.227 -1.371 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -9.898 11.717 1.065 1.00 0.00 H new ATOM 728 N ALA A 56 -5.802 12.982 -4.041 1.00 0.00 N ATOM 729 CA ALA A 56 -6.083 12.156 -5.210 1.00 0.00 C ATOM 730 C ALA A 56 -4.991 11.113 -5.419 1.00 0.00 C ATOM 731 O ALA A 56 -5.252 10.019 -5.923 1.00 0.00 O ATOM 732 CB ALA A 56 -6.227 13.028 -6.450 1.00 0.00 C ATOM 0 H ALA A 56 -5.558 13.949 -4.256 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.023 11.631 -5.037 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.436 12.399 -7.315 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -7.047 13.732 -6.306 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.301 13.578 -6.617 1.00 0.00 H new ATOM 738 N ARG A 57 -3.767 11.456 -5.031 1.00 0.00 N ATOM 739 CA ARG A 57 -2.635 10.549 -5.177 1.00 0.00 C ATOM 740 C ARG A 57 -2.833 9.293 -4.335 1.00 0.00 C ATOM 741 O ARG A 57 -2.572 8.179 -4.790 1.00 0.00 O ATOM 742 CB ARG A 57 -1.337 11.249 -4.773 1.00 0.00 C ATOM 743 CG ARG A 57 -0.839 12.252 -5.801 1.00 0.00 C ATOM 744 CD ARG A 57 0.295 13.100 -5.248 1.00 0.00 C ATOM 745 NE ARG A 57 1.102 13.694 -6.311 1.00 0.00 N ATOM 746 CZ ARG A 57 2.022 13.024 -6.995 1.00 0.00 C ATOM 747 NH1 ARG A 57 2.250 11.745 -6.731 1.00 0.00 N ATOM 748 NH2 ARG A 57 2.717 13.634 -7.947 1.00 0.00 N ATOM 0 H ARG A 57 -3.534 12.357 -4.613 1.00 0.00 H new ATOM 0 HA ARG A 57 -2.569 10.256 -6.225 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -1.491 11.761 -3.823 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -0.565 10.497 -4.608 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.499 11.723 -6.691 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.661 12.898 -6.109 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -0.116 13.890 -4.620 1.00 0.00 H new ATOM 0 HD3 ARG A 57 0.930 12.485 -4.611 1.00 0.00 H new ATOM 0 HE ARG A 57 0.951 14.676 -6.540 1.00 0.00 H new ATOM 0 HH11 ARG A 57 1.718 11.272 -6.000 1.00 0.00 H new ATOM 0 HH12 ARG A 57 2.958 11.234 -7.259 1.00 0.00 H new ATOM 0 HH21 ARG A 57 2.545 14.618 -8.153 1.00 0.00 H new ATOM 0 HH22 ARG A 57 3.424 13.119 -8.472 1.00 0.00 H new ATOM 759 N PHE A 58 -3.295 9.480 -3.102 1.00 0.00 N ATOM 760 CA PHE A 58 -3.526 8.362 -2.194 1.00 0.00 C ATOM 761 C PHE A 58 -4.573 7.407 -2.762 1.00 0.00 C ATOM 762 O PHE A 58 -4.329 6.209 -2.895 1.00 0.00 O ATOM 763 CB PHE A 58 -3.975 8.874 -0.825 1.00 0.00 C ATOM 764 CG PHE A 58 -3.814 7.865 0.275 1.00 0.00 C ATOM 765 CD1 PHE A 58 -4.548 6.690 0.269 1.00 0.00 C ATOM 766 CD2 PHE A 58 -2.928 8.091 1.316 1.00 0.00 C ATOM 767 CE1 PHE A 58 -4.402 5.759 1.281 1.00 0.00 C ATOM 768 CE2 PHE A 58 -2.776 7.164 2.330 1.00 0.00 C ATOM 769 CZ PHE A 58 -3.514 5.997 2.312 1.00 0.00 C ATOM 0 H PHE A 58 -3.517 10.395 -2.709 1.00 0.00 H new ATOM 0 HA PHE A 58 -2.588 7.818 -2.081 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.402 9.767 -0.574 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -5.022 9.172 -0.883 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -5.243 6.499 -0.536 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -2.349 9.003 1.335 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -4.981 4.848 1.265 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.081 7.352 3.135 1.00 0.00 H new ATOM 0 HZ PHE A 58 -3.397 5.271 3.103 1.00 0.00 H new ATOM 778 N VAL A 59 -5.740 7.950 -3.095 1.00 0.00 N ATOM 779 CA VAL A 59 -6.825 7.148 -3.648 1.00 0.00 C ATOM 780 C VAL A 59 -6.413 6.499 -4.964 1.00 0.00 C ATOM 781 O VAL A 59 -6.852 5.396 -5.289 1.00 0.00 O ATOM 782 CB VAL A 59 -8.088 7.998 -3.882 1.00 0.00 C ATOM 783 CG1 VAL A 59 -7.753 9.242 -4.692 1.00 0.00 C ATOM 784 CG2 VAL A 59 -9.163 7.174 -4.575 1.00 0.00 C ATOM 0 H VAL A 59 -5.958 8.941 -2.992 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.048 6.371 -2.917 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.474 8.318 -2.914 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -8.658 9.830 -4.847 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.019 9.841 -4.152 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.342 8.948 -5.658 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -10.048 7.790 -4.733 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -8.789 6.823 -5.537 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.423 6.318 -3.953 1.00 0.00 H new ATOM 794 N ALA A 60 -5.564 7.189 -5.719 1.00 0.00 N ATOM 795 CA ALA A 60 -5.089 6.679 -6.998 1.00 0.00 C ATOM 796 C ALA A 60 -4.169 5.478 -6.803 1.00 0.00 C ATOM 797 O ALA A 60 -4.159 4.554 -7.615 1.00 0.00 O ATOM 798 CB ALA A 60 -4.372 7.776 -7.771 1.00 0.00 C ATOM 0 H ALA A 60 -5.191 8.104 -5.466 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.954 6.351 -7.574 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.023 7.380 -8.725 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.059 8.603 -7.951 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.520 8.132 -7.192 1.00 0.00 H new ATOM 804 N ALA A 61 -3.397 5.500 -5.722 1.00 0.00 N ATOM 805 CA ALA A 61 -2.474 4.412 -5.420 1.00 0.00 C ATOM 806 C ALA A 61 -3.206 3.229 -4.795 1.00 0.00 C ATOM 807 O ALA A 61 -2.868 2.073 -5.051 1.00 0.00 O ATOM 808 CB ALA A 61 -1.369 4.900 -4.495 1.00 0.00 C ATOM 0 H ALA A 61 -3.392 6.259 -5.041 1.00 0.00 H new ATOM 0 HA ALA A 61 -2.028 4.076 -6.356 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.687 4.078 -4.278 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -0.820 5.708 -4.978 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -1.807 5.264 -3.565 1.00 0.00 H new ATOM 814 N ALA A 62 -4.209 3.525 -3.976 1.00 0.00 N ATOM 815 CA ALA A 62 -4.990 2.485 -3.317 1.00 0.00 C ATOM 816 C ALA A 62 -5.530 1.480 -4.328 1.00 0.00 C ATOM 817 O ALA A 62 -5.690 0.300 -4.019 1.00 0.00 O ATOM 818 CB ALA A 62 -6.132 3.104 -2.525 1.00 0.00 C ATOM 0 H ALA A 62 -4.500 4.477 -3.753 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.332 1.953 -2.630 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.706 2.316 -2.038 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.728 3.778 -1.769 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.781 3.663 -3.199 1.00 0.00 H new ATOM 824 N ALA A 63 -5.809 1.956 -5.538 1.00 0.00 N ATOM 825 CA ALA A 63 -6.330 1.097 -6.595 1.00 0.00 C ATOM 826 C ALA A 63 -5.338 -0.007 -6.943 1.00 0.00 C ATOM 827 O ALA A 63 -5.728 -1.096 -7.367 1.00 0.00 O ATOM 828 CB ALA A 63 -6.660 1.922 -7.830 1.00 0.00 C ATOM 0 H ALA A 63 -5.683 2.931 -5.810 1.00 0.00 H new ATOM 0 HA ALA A 63 -7.244 0.627 -6.231 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.048 1.268 -8.611 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -7.411 2.671 -7.577 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.758 2.419 -8.187 1.00 0.00 H new ATOM 834 N LYS A 64 -4.052 0.280 -6.765 1.00 0.00 N ATOM 835 CA LYS A 64 -3.004 -0.689 -7.060 1.00 0.00 C ATOM 836 C LYS A 64 -2.949 -1.775 -5.989 1.00 0.00 C ATOM 837 O LYS A 64 -2.991 -2.966 -6.298 1.00 0.00 O ATOM 838 CB LYS A 64 -1.648 0.013 -7.161 1.00 0.00 C ATOM 839 CG LYS A 64 -0.745 -0.560 -8.240 1.00 0.00 C ATOM 840 CD LYS A 64 -0.526 -2.052 -8.052 1.00 0.00 C ATOM 841 CE LYS A 64 0.330 -2.635 -9.165 1.00 0.00 C ATOM 842 NZ LYS A 64 1.751 -2.198 -9.057 1.00 0.00 N ATOM 0 H LYS A 64 -3.711 1.177 -6.418 1.00 0.00 H new ATOM 0 HA LYS A 64 -3.236 -1.159 -8.016 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -1.811 1.072 -7.360 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.140 -0.056 -6.199 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.186 -0.377 -9.220 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.216 -0.046 -8.222 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -0.046 -2.232 -7.090 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -1.489 -2.562 -8.027 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.281 -3.723 -9.129 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.072 -2.329 -10.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 2.281 -2.532 -9.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 1.793 -1.160 -9.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.172 -2.597 -8.194 1.00 0.00 H new ATOM 852 N VAL A 65 -2.856 -1.355 -4.733 1.00 0.00 N ATOM 853 CA VAL A 65 -2.798 -2.292 -3.616 1.00 0.00 C ATOM 854 C VAL A 65 -4.111 -3.052 -3.467 1.00 0.00 C ATOM 855 O VAL A 65 -4.126 -4.206 -3.042 1.00 0.00 O ATOM 856 CB VAL A 65 -2.484 -1.568 -2.292 1.00 0.00 C ATOM 857 CG1 VAL A 65 -3.556 -0.535 -1.981 1.00 0.00 C ATOM 858 CG2 VAL A 65 -2.352 -2.572 -1.156 1.00 0.00 C ATOM 0 H VAL A 65 -2.819 -0.372 -4.462 1.00 0.00 H new ATOM 0 HA VAL A 65 -1.996 -2.997 -3.836 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.533 -1.047 -2.398 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.317 -0.034 -1.043 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.597 0.200 -2.785 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.523 -1.030 -1.892 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.130 -2.045 -0.228 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.287 -3.122 -1.046 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -1.544 -3.269 -1.379 1.00 0.00 H new ATOM 868 N ASN A 66 -5.211 -2.397 -3.823 1.00 0.00 N ATOM 869 CA ASN A 66 -6.531 -3.011 -3.730 1.00 0.00 C ATOM 870 C ASN A 66 -6.698 -4.100 -4.785 1.00 0.00 C ATOM 871 O ASN A 66 -7.044 -5.240 -4.469 1.00 0.00 O ATOM 872 CB ASN A 66 -7.622 -1.952 -3.895 1.00 0.00 C ATOM 873 CG ASN A 66 -8.939 -2.546 -4.355 1.00 0.00 C ATOM 874 OD1 ASN A 66 -9.113 -2.655 -5.667 1.00 0.00 O flip ATOM 875 ND2 ASN A 66 -9.790 -2.904 -3.540 1.00 0.00 N flip ATOM 0 H ASN A 66 -5.215 -1.441 -4.179 1.00 0.00 H new ATOM 0 HA ASN A 66 -6.625 -3.467 -2.744 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -7.771 -1.437 -2.946 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -7.292 -1.204 -4.616 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -9.614 -2.802 -2.541 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -10.671 -3.303 -3.864 1.00 0.00 H new ATOM 881 N THR A 67 -6.453 -3.742 -6.042 1.00 0.00 N ATOM 882 CA THR A 67 -6.578 -4.687 -7.144 1.00 0.00 C ATOM 883 C THR A 67 -5.709 -5.918 -6.915 1.00 0.00 C ATOM 884 O THR A 67 -6.121 -7.043 -7.198 1.00 0.00 O ATOM 885 CB THR A 67 -6.188 -4.040 -8.486 1.00 0.00 C ATOM 886 OG1 THR A 67 -7.055 -2.935 -8.768 1.00 0.00 O ATOM 887 CG2 THR A 67 -6.266 -5.053 -9.618 1.00 0.00 C ATOM 0 H THR A 67 -6.167 -2.804 -6.322 1.00 0.00 H new ATOM 0 HA THR A 67 -7.625 -4.988 -7.184 1.00 0.00 H new ATOM 0 HB THR A 67 -5.161 -3.685 -8.407 1.00 0.00 H new ATOM 0 HG1 THR A 67 -6.746 -2.144 -8.280 1.00 0.00 H new ATOM 0 HG21 THR A 67 -5.986 -4.573 -10.556 1.00 0.00 H new ATOM 0 HG22 THR A 67 -5.584 -5.878 -9.415 1.00 0.00 H new ATOM 0 HG23 THR A 67 -7.284 -5.434 -9.695 1.00 0.00 H new ATOM 895 N LEU A 68 -4.504 -5.697 -6.400 1.00 0.00 N ATOM 896 CA LEU A 68 -3.574 -6.789 -6.131 1.00 0.00 C ATOM 897 C LEU A 68 -4.130 -7.726 -5.063 1.00 0.00 C ATOM 898 O LEU A 68 -3.926 -8.939 -5.120 1.00 0.00 O ATOM 899 CB LEU A 68 -2.221 -6.234 -5.685 1.00 0.00 C ATOM 900 CG LEU A 68 -1.410 -5.502 -6.755 1.00 0.00 C ATOM 901 CD1 LEU A 68 -0.374 -4.594 -6.111 1.00 0.00 C ATOM 902 CD2 LEU A 68 -0.742 -6.497 -7.693 1.00 0.00 C ATOM 0 H LEU A 68 -4.148 -4.772 -6.160 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.441 -7.356 -7.052 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.388 -5.550 -4.853 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.620 -7.060 -5.304 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.091 -4.884 -7.340 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.194 -4.081 -6.888 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.876 -3.858 -5.483 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.304 -5.191 -5.501 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.169 -5.958 -8.448 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.074 -7.142 -7.123 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.504 -7.105 -8.181 1.00 0.00 H new ATOM 913 N LEU A 69 -4.835 -7.156 -4.093 1.00 0.00 N ATOM 914 CA LEU A 69 -5.422 -7.941 -3.012 1.00 0.00 C ATOM 915 C LEU A 69 -6.437 -8.942 -3.556 1.00 0.00 C ATOM 916 O LEU A 69 -6.431 -10.114 -3.179 1.00 0.00 O ATOM 917 CB LEU A 69 -6.094 -7.019 -1.993 1.00 0.00 C ATOM 918 CG LEU A 69 -5.346 -6.818 -0.675 1.00 0.00 C ATOM 919 CD1 LEU A 69 -5.946 -5.660 0.108 1.00 0.00 C ATOM 920 CD2 LEU A 69 -5.372 -8.094 0.154 1.00 0.00 C ATOM 0 H LEU A 69 -5.014 -6.154 -4.032 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.621 -8.494 -2.520 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.241 -6.044 -2.457 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.083 -7.418 -1.769 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.307 -6.577 -0.902 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.401 -5.532 1.043 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.875 -4.746 -0.482 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.993 -5.871 0.325 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.835 -7.932 1.088 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.405 -8.365 0.372 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.895 -8.900 -0.404 1.00 0.00 H new ATOM 931 N ASP A 70 -7.306 -8.472 -4.444 1.00 0.00 N ATOM 932 CA ASP A 70 -8.325 -9.327 -5.043 1.00 0.00 C ATOM 933 C ASP A 70 -7.687 -10.400 -5.920 1.00 0.00 C ATOM 934 O ASP A 70 -8.137 -11.546 -5.942 1.00 0.00 O ATOM 935 CB ASP A 70 -9.302 -8.489 -5.870 1.00 0.00 C ATOM 936 CG ASP A 70 -10.730 -8.984 -5.756 1.00 0.00 C ATOM 937 OD1 ASP A 70 -10.920 -10.179 -5.445 1.00 0.00 O ATOM 938 OD2 ASP A 70 -11.658 -8.178 -5.976 1.00 0.00 O ATOM 0 H ASP A 70 -7.326 -7.504 -4.765 1.00 0.00 H new ATOM 0 HA ASP A 70 -8.871 -9.819 -4.238 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -9.253 -7.451 -5.542 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -8.997 -8.507 -6.916 1.00 0.00 H new ATOM 942 N VAL A 71 -6.638 -10.021 -6.643 1.00 0.00 N ATOM 943 CA VAL A 71 -5.939 -10.950 -7.521 1.00 0.00 C ATOM 944 C VAL A 71 -5.243 -12.046 -6.720 1.00 0.00 C ATOM 945 O VAL A 71 -5.130 -13.183 -7.175 1.00 0.00 O ATOM 946 CB VAL A 71 -4.896 -10.224 -8.390 1.00 0.00 C ATOM 947 CG1 VAL A 71 -4.207 -11.203 -9.330 1.00 0.00 C ATOM 948 CG2 VAL A 71 -5.548 -9.093 -9.171 1.00 0.00 C ATOM 0 H VAL A 71 -6.254 -9.076 -6.637 1.00 0.00 H new ATOM 0 HA VAL A 71 -6.691 -11.400 -8.169 1.00 0.00 H new ATOM 0 HB VAL A 71 -4.139 -9.794 -7.734 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.474 -10.671 -9.936 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.705 -11.975 -8.747 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -4.949 -11.665 -9.981 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -4.796 -8.591 -9.780 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.326 -9.499 -9.817 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -5.989 -8.378 -8.476 1.00 0.00 H new ATOM 958 N ALA A 72 -4.779 -11.693 -5.526 1.00 0.00 N ATOM 959 CA ALA A 72 -4.096 -12.646 -4.660 1.00 0.00 C ATOM 960 C ALA A 72 -5.038 -13.763 -4.223 1.00 0.00 C ATOM 961 O ALA A 72 -4.686 -14.941 -4.279 1.00 0.00 O ATOM 962 CB ALA A 72 -3.516 -11.936 -3.446 1.00 0.00 C ATOM 0 H ALA A 72 -4.864 -10.754 -5.136 1.00 0.00 H new ATOM 0 HA ALA A 72 -3.281 -13.095 -5.227 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.009 -12.660 -2.809 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.803 -11.179 -3.773 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.320 -11.459 -2.885 1.00 0.00 H new ATOM 968 N GLN A 73 -6.234 -13.384 -3.786 1.00 0.00 N ATOM 969 CA GLN A 73 -7.226 -14.355 -3.338 1.00 0.00 C ATOM 970 C GLN A 73 -7.794 -15.137 -4.516 1.00 0.00 C ATOM 971 O GLN A 73 -8.113 -16.319 -4.395 1.00 0.00 O ATOM 972 CB GLN A 73 -8.356 -13.650 -2.585 1.00 0.00 C ATOM 973 CG GLN A 73 -7.868 -12.687 -1.515 1.00 0.00 C ATOM 974 CD GLN A 73 -8.994 -11.891 -0.887 1.00 0.00 C ATOM 975 OE1 GLN A 73 -9.382 -10.838 -1.393 1.00 0.00 O ATOM 976 NE2 GLN A 73 -9.527 -12.392 0.221 1.00 0.00 N ATOM 0 H GLN A 73 -6.540 -12.412 -3.732 1.00 0.00 H new ATOM 0 HA GLN A 73 -6.733 -15.057 -2.665 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -8.972 -13.104 -3.300 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -8.996 -14.401 -2.121 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -7.347 -13.247 -0.738 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -7.144 -12.000 -1.953 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -9.174 -13.268 0.606 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -10.289 -11.901 0.688 1.00 0.00 H new ATOM 983 N ALA A 74 -7.920 -14.468 -5.659 1.00 0.00 N ATOM 984 CA ALA A 74 -8.449 -15.101 -6.860 1.00 0.00 C ATOM 985 C ALA A 74 -7.435 -16.066 -7.464 1.00 0.00 C ATOM 986 O ALA A 74 -7.803 -17.091 -8.036 1.00 0.00 O ATOM 987 CB ALA A 74 -8.849 -14.046 -7.881 1.00 0.00 C ATOM 0 H ALA A 74 -7.663 -13.488 -5.777 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.333 -15.673 -6.579 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.242 -14.534 -8.773 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.615 -13.398 -7.454 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.977 -13.449 -8.148 1.00 0.00 H new ATOM 993 N ASN A 75 -6.156 -15.731 -7.334 1.00 0.00 N ATOM 994 CA ASN A 75 -5.087 -16.568 -7.868 1.00 0.00 C ATOM 995 C ASN A 75 -4.861 -17.791 -6.985 1.00 0.00 C ATOM 996 O ASN A 75 -4.605 -18.889 -7.480 1.00 0.00 O ATOM 997 CB ASN A 75 -3.791 -15.763 -7.985 1.00 0.00 C ATOM 998 CG ASN A 75 -3.680 -15.037 -9.312 1.00 0.00 C ATOM 999 OD1 ASN A 75 -4.715 -14.283 -9.662 1.00 0.00 O flip ATOM 1000 ND2 ASN A 75 -2.674 -15.153 -10.013 1.00 0.00 N flip ATOM 0 H ASN A 75 -5.834 -14.885 -6.863 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.387 -16.908 -8.859 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -3.742 -15.038 -7.172 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -2.939 -16.432 -7.868 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -1.902 -15.744 -9.704 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -2.613 -14.658 -10.903 1.00 0.00 H new ATOM 1006 N LEU A 76 -4.959 -17.595 -5.675 1.00 0.00 N ATOM 1007 CA LEU A 76 -4.766 -18.682 -4.721 1.00 0.00 C ATOM 1008 C LEU A 76 -5.979 -19.607 -4.699 1.00 0.00 C ATOM 1009 O LEU A 76 -5.849 -20.812 -4.487 1.00 0.00 O ATOM 1010 CB LEU A 76 -4.513 -18.120 -3.321 1.00 0.00 C ATOM 1011 CG LEU A 76 -3.208 -17.345 -3.136 1.00 0.00 C ATOM 1012 CD1 LEU A 76 -3.196 -16.634 -1.792 1.00 0.00 C ATOM 1013 CD2 LEU A 76 -2.012 -18.277 -3.258 1.00 0.00 C ATOM 0 H LEU A 76 -5.171 -16.693 -5.249 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.897 -19.259 -5.036 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.343 -17.463 -3.059 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.525 -18.947 -2.611 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.140 -16.594 -3.923 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.260 -16.088 -1.678 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.032 -15.936 -1.742 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.288 -17.368 -0.991 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.092 -17.708 -3.124 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.075 -19.051 -2.493 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.011 -18.740 -4.245 1.00 0.00 H new ATOM 1024 N GLY A 77 -7.158 -19.035 -4.920 1.00 0.00 N ATOM 1025 CA GLY A 77 -8.377 -19.823 -4.922 1.00 0.00 C ATOM 1026 C GLY A 77 -8.908 -20.074 -3.524 1.00 0.00 C ATOM 1027 O GLY A 77 -10.059 -19.759 -3.225 1.00 0.00 O ATOM 0 H GLY A 77 -7.291 -18.039 -5.098 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.138 -19.308 -5.509 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -8.188 -20.778 -5.412 1.00 0.00 H new ATOM 1031 N GLU A 78 -8.066 -20.645 -2.667 1.00 0.00 N ATOM 1032 CA GLU A 78 -8.460 -20.940 -1.294 1.00 0.00 C ATOM 1033 C GLU A 78 -9.042 -19.703 -0.618 1.00 0.00 C ATOM 1034 O GLU A 78 -10.126 -19.753 -0.036 1.00 0.00 O ATOM 1035 CB GLU A 78 -7.260 -21.454 -0.496 1.00 0.00 C ATOM 1036 CG GLU A 78 -7.640 -22.399 0.632 1.00 0.00 C ATOM 1037 CD GLU A 78 -7.690 -23.847 0.187 1.00 0.00 C ATOM 1038 OE1 GLU A 78 -6.643 -24.525 0.249 1.00 0.00 O ATOM 1039 OE2 GLU A 78 -8.778 -24.304 -0.222 1.00 0.00 O ATOM 0 H GLU A 78 -7.109 -20.912 -2.899 1.00 0.00 H new ATOM 0 HA GLU A 78 -9.228 -21.713 -1.321 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -6.576 -21.966 -1.173 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -6.720 -20.604 -0.080 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -6.921 -22.297 1.444 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -8.613 -22.111 1.030 1.00 0.00 H new ATOM 1044 N ALA A 79 -8.315 -18.593 -0.698 1.00 0.00 N ATOM 1045 CA ALA A 79 -8.759 -17.343 -0.095 1.00 0.00 C ATOM 1046 C ALA A 79 -10.149 -16.958 -0.589 1.00 0.00 C ATOM 1047 O ALA A 79 -11.124 -17.015 0.160 1.00 0.00 O ATOM 1048 CB ALA A 79 -7.764 -16.231 -0.391 1.00 0.00 C ATOM 0 H ALA A 79 -7.415 -18.535 -1.175 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.813 -17.488 0.984 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -8.109 -15.303 0.066 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -6.789 -16.497 0.018 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -7.680 -16.095 -1.469 1.00 0.00 H new ATOM 1533 N ALA B 620 1.975 11.974 10.406 1.00 0.00 N ATOM 1534 CA ALA B 620 2.810 11.108 9.585 1.00 0.00 C ATOM 1535 C ALA B 620 3.054 9.768 10.272 1.00 0.00 C ATOM 1536 O ALA B 620 3.210 8.741 9.612 1.00 0.00 O ATOM 1537 CB ALA B 620 4.134 11.792 9.273 1.00 0.00 C ATOM 0 HA ALA B 620 2.283 10.917 8.650 1.00 0.00 H new ATOM 0 HB1 ALA B 620 4.748 11.133 8.659 1.00 0.00 H new ATOM 0 HB2 ALA B 620 3.946 12.720 8.733 1.00 0.00 H new ATOM 0 HB3 ALA B 620 4.657 12.013 10.203 1.00 0.00 H new ATOM 1543 N GLY B 621 3.086 9.787 11.600 1.00 0.00 N ATOM 1544 CA GLY B 621 3.312 8.567 12.354 1.00 0.00 C ATOM 1545 C GLY B 621 2.302 7.487 12.023 1.00 0.00 C ATOM 1546 O GLY B 621 2.663 6.322 11.850 1.00 0.00 O ATOM 0 H GLY B 621 2.960 10.625 12.168 1.00 0.00 H new ATOM 0 HA2 GLY B 621 4.316 8.197 12.148 1.00 0.00 H new ATOM 0 HA3 GLY B 621 3.266 8.789 13.420 1.00 0.00 H new ATOM 1550 N TYR B 622 1.034 7.870 11.937 1.00 0.00 N ATOM 1551 CA TYR B 622 -0.033 6.925 11.630 1.00 0.00 C ATOM 1552 C TYR B 622 0.179 6.293 10.257 1.00 0.00 C ATOM 1553 O TYR B 622 -0.095 5.110 10.058 1.00 0.00 O ATOM 1554 CB TYR B 622 -1.393 7.623 11.679 1.00 0.00 C ATOM 1555 CG TYR B 622 -2.334 7.045 12.710 1.00 0.00 C ATOM 1556 CD1 TYR B 622 -2.149 7.289 14.065 1.00 0.00 C ATOM 1557 CD2 TYR B 622 -3.411 6.252 12.329 1.00 0.00 C ATOM 1558 CE1 TYR B 622 -3.007 6.762 15.010 1.00 0.00 C ATOM 1559 CE2 TYR B 622 -4.275 5.722 13.268 1.00 0.00 C ATOM 1560 CZ TYR B 622 -4.068 5.979 14.606 1.00 0.00 C ATOM 1561 OH TYR B 622 -4.925 5.452 15.545 1.00 0.00 O ATOM 0 H TYR B 622 0.719 8.830 12.076 1.00 0.00 H new ATOM 0 HA TYR B 622 -0.012 6.136 12.381 1.00 0.00 H new ATOM 0 HB2 TYR B 622 -1.241 8.681 11.891 1.00 0.00 H new ATOM 0 HB3 TYR B 622 -1.860 7.559 10.696 1.00 0.00 H new ATOM 0 HD1 TYR B 622 -1.319 7.902 14.385 1.00 0.00 H new ATOM 0 HD2 TYR B 622 -3.575 6.047 11.281 1.00 0.00 H new ATOM 0 HE1 TYR B 622 -2.848 6.962 16.059 1.00 0.00 H new ATOM 0 HE2 TYR B 622 -5.108 5.110 12.955 1.00 0.00 H new ATOM 0 HH TYR B 622 -5.619 4.926 15.096 1.00 0.00 H new ATOM 1570 N ALA B 623 0.667 7.092 9.314 1.00 0.00 N ATOM 1571 CA ALA B 623 0.918 6.612 7.961 1.00 0.00 C ATOM 1572 C ALA B 623 1.940 5.480 7.961 1.00 0.00 C ATOM 1573 O ALA B 623 1.868 4.566 7.141 1.00 0.00 O ATOM 1574 CB ALA B 623 1.394 7.754 7.076 1.00 0.00 C ATOM 0 H ALA B 623 0.896 8.075 9.462 1.00 0.00 H new ATOM 0 HA ALA B 623 -0.018 6.222 7.561 1.00 0.00 H new ATOM 0 HB1 ALA B 623 1.578 7.381 6.068 1.00 0.00 H new ATOM 0 HB2 ALA B 623 0.630 8.531 7.042 1.00 0.00 H new ATOM 0 HB3 ALA B 623 2.316 8.170 7.483 1.00 0.00 H new ATOM 1580 N GLY B 624 2.893 5.548 8.886 1.00 0.00 N ATOM 1581 CA GLY B 624 3.916 4.523 8.974 1.00 0.00 C ATOM 1582 C GLY B 624 3.332 3.134 9.136 1.00 0.00 C ATOM 1583 O GLY B 624 3.866 2.161 8.599 1.00 0.00 O ATOM 0 H GLY B 624 2.974 6.295 9.576 1.00 0.00 H new ATOM 0 HA2 GLY B 624 4.533 4.552 8.076 1.00 0.00 H new ATOM 0 HA3 GLY B 624 4.571 4.739 9.818 1.00 0.00 H new ATOM 1587 N THR B 625 2.233 3.037 9.878 1.00 0.00 N ATOM 1588 CA THR B 625 1.578 1.756 10.110 1.00 0.00 C ATOM 1589 C THR B 625 1.224 1.073 8.794 1.00 0.00 C ATOM 1590 O THR B 625 1.447 -0.127 8.627 1.00 0.00 O ATOM 1591 CB THR B 625 0.298 1.924 10.950 1.00 0.00 C ATOM 1592 OG1 THR B 625 0.618 2.494 12.223 1.00 0.00 O ATOM 1593 CG2 THR B 625 -0.400 0.588 11.147 1.00 0.00 C ATOM 0 H THR B 625 1.778 3.831 10.329 1.00 0.00 H new ATOM 0 HA THR B 625 2.285 1.134 10.659 1.00 0.00 H new ATOM 0 HB THR B 625 -0.376 2.592 10.414 1.00 0.00 H new ATOM 0 HG1 THR B 625 -0.202 2.599 12.750 1.00 0.00 H new ATOM 0 HG21 THR B 625 -1.301 0.733 11.743 1.00 0.00 H new ATOM 0 HG22 THR B 625 -0.670 0.172 10.176 1.00 0.00 H new ATOM 0 HG23 THR B 625 0.270 -0.100 11.663 1.00 0.00 H new ATOM 1601 N LEU B 626 0.671 1.843 7.864 1.00 0.00 N ATOM 1602 CA LEU B 626 0.287 1.311 6.561 1.00 0.00 C ATOM 1603 C LEU B 626 1.448 0.563 5.913 1.00 0.00 C ATOM 1604 O LEU B 626 1.257 -0.486 5.300 1.00 0.00 O ATOM 1605 CB LEU B 626 -0.181 2.442 5.643 1.00 0.00 C ATOM 1606 CG LEU B 626 -1.654 2.834 5.761 1.00 0.00 C ATOM 1607 CD1 LEU B 626 -2.015 3.126 7.209 1.00 0.00 C ATOM 1608 CD2 LEU B 626 -1.957 4.039 4.881 1.00 0.00 C ATOM 0 H LEU B 626 0.478 2.837 7.987 1.00 0.00 H new ATOM 0 HA LEU B 626 -0.534 0.610 6.711 1.00 0.00 H new ATOM 0 HB2 LEU B 626 0.427 3.324 5.847 1.00 0.00 H new ATOM 0 HB3 LEU B 626 0.016 2.151 4.611 1.00 0.00 H new ATOM 0 HG LEU B 626 -2.261 1.996 5.419 1.00 0.00 H new ATOM 0 HD11 LEU B 626 -3.067 3.403 7.273 1.00 0.00 H new ATOM 0 HD12 LEU B 626 -1.836 2.238 7.815 1.00 0.00 H new ATOM 0 HD13 LEU B 626 -1.400 3.947 7.579 1.00 0.00 H new ATOM 0 HD21 LEU B 626 -3.010 4.304 4.977 1.00 0.00 H new ATOM 0 HD22 LEU B 626 -1.340 4.882 5.193 1.00 0.00 H new ATOM 0 HD23 LEU B 626 -1.738 3.795 3.842 1.00 0.00 H new ATOM 1619 N GLN B 627 2.651 1.111 6.055 1.00 0.00 N ATOM 1620 CA GLN B 627 3.843 0.495 5.486 1.00 0.00 C ATOM 1621 C GLN B 627 3.959 -0.964 5.913 1.00 0.00 C ATOM 1622 O GLN B 627 4.134 -1.853 5.080 1.00 0.00 O ATOM 1623 CB GLN B 627 5.094 1.264 5.912 1.00 0.00 C ATOM 1624 CG GLN B 627 6.318 0.951 5.067 1.00 0.00 C ATOM 1625 CD GLN B 627 7.422 1.976 5.237 1.00 0.00 C ATOM 1626 OE1 GLN B 627 7.698 2.764 4.332 1.00 0.00 O ATOM 1627 NE2 GLN B 627 8.061 1.970 6.401 1.00 0.00 N ATOM 0 H GLN B 627 2.825 1.980 6.559 1.00 0.00 H new ATOM 0 HA GLN B 627 3.756 0.531 4.400 1.00 0.00 H new ATOM 0 HB2 GLN B 627 4.889 2.333 5.858 1.00 0.00 H new ATOM 0 HB3 GLN B 627 5.314 1.034 6.955 1.00 0.00 H new ATOM 0 HG2 GLN B 627 6.698 -0.035 5.336 1.00 0.00 H new ATOM 0 HG3 GLN B 627 6.028 0.905 4.017 1.00 0.00 H new ATOM 0 HE21 GLN B 627 7.799 1.299 7.123 1.00 0.00 H new ATOM 0 HE22 GLN B 627 8.814 2.636 6.573 1.00 0.00 H new ATOM 1634 N SER B 628 3.860 -1.204 7.217 1.00 0.00 N ATOM 1635 CA SER B 628 3.958 -2.556 7.755 1.00 0.00 C ATOM 1636 C SER B 628 2.670 -3.334 7.506 1.00 0.00 C ATOM 1637 O SER B 628 2.689 -4.556 7.352 1.00 0.00 O ATOM 1638 CB SER B 628 4.258 -2.509 9.255 1.00 0.00 C ATOM 1639 OG SER B 628 4.209 -3.805 9.825 1.00 0.00 O ATOM 0 H SER B 628 3.712 -0.480 7.920 1.00 0.00 H new ATOM 0 HA SER B 628 4.774 -3.067 7.244 1.00 0.00 H new ATOM 0 HB2 SER B 628 5.244 -2.073 9.419 1.00 0.00 H new ATOM 0 HB3 SER B 628 3.537 -1.861 9.753 1.00 0.00 H new ATOM 0 HG SER B 628 4.406 -3.748 10.783 1.00 0.00 H new ATOM 1644 N LEU B 629 1.551 -2.619 7.469 1.00 0.00 N ATOM 1645 CA LEU B 629 0.252 -3.241 7.238 1.00 0.00 C ATOM 1646 C LEU B 629 0.266 -4.073 5.959 1.00 0.00 C ATOM 1647 O LEU B 629 -0.096 -5.248 5.968 1.00 0.00 O ATOM 1648 CB LEU B 629 -0.840 -2.173 7.153 1.00 0.00 C ATOM 1649 CG LEU B 629 -2.229 -2.593 7.636 1.00 0.00 C ATOM 1650 CD1 LEU B 629 -2.665 -3.879 6.952 1.00 0.00 C ATOM 1651 CD2 LEU B 629 -2.239 -2.761 9.148 1.00 0.00 C ATOM 0 H LEU B 629 1.517 -1.608 7.596 1.00 0.00 H new ATOM 0 HA LEU B 629 0.040 -3.903 8.078 1.00 0.00 H new ATOM 0 HB2 LEU B 629 -0.521 -1.309 7.735 1.00 0.00 H new ATOM 0 HB3 LEU B 629 -0.921 -1.847 6.116 1.00 0.00 H new ATOM 0 HG LEU B 629 -2.938 -1.808 7.373 1.00 0.00 H new ATOM 0 HD11 LEU B 629 -3.655 -4.163 7.308 1.00 0.00 H new ATOM 0 HD12 LEU B 629 -2.697 -3.725 5.873 1.00 0.00 H new ATOM 0 HD13 LEU B 629 -1.955 -4.673 7.184 1.00 0.00 H new ATOM 0 HD21 LEU B 629 -3.235 -3.060 9.474 1.00 0.00 H new ATOM 0 HD22 LEU B 629 -1.518 -3.527 9.434 1.00 0.00 H new ATOM 0 HD23 LEU B 629 -1.971 -1.816 9.621 1.00 0.00 H new ATOM 1662 N GLY B 630 0.689 -3.453 4.861 1.00 0.00 N ATOM 1663 CA GLY B 630 0.744 -4.152 3.590 1.00 0.00 C ATOM 1664 C GLY B 630 1.733 -5.300 3.603 1.00 0.00 C ATOM 1665 O GLY B 630 1.484 -6.349 3.008 1.00 0.00 O ATOM 0 H GLY B 630 0.994 -2.480 4.829 1.00 0.00 H new ATOM 0 HA2 GLY B 630 -0.247 -4.533 3.345 1.00 0.00 H new ATOM 0 HA3 GLY B 630 1.018 -3.449 2.804 1.00 0.00 H new ATOM 1669 N ALA B 631 2.859 -5.101 4.280 1.00 0.00 N ATOM 1670 CA ALA B 631 3.889 -6.129 4.367 1.00 0.00 C ATOM 1671 C ALA B 631 3.309 -7.448 4.866 1.00 0.00 C ATOM 1672 O ALA B 631 3.718 -8.522 4.425 1.00 0.00 O ATOM 1673 CB ALA B 631 5.018 -5.669 5.278 1.00 0.00 C ATOM 0 H ALA B 631 3.081 -4.238 4.776 1.00 0.00 H new ATOM 0 HA ALA B 631 4.288 -6.294 3.366 1.00 0.00 H new ATOM 0 HB1 ALA B 631 5.780 -6.446 5.334 1.00 0.00 H new ATOM 0 HB2 ALA B 631 5.459 -4.756 4.878 1.00 0.00 H new ATOM 0 HB3 ALA B 631 4.624 -5.475 6.276 1.00 0.00 H new ATOM 1679 N GLU B 632 2.354 -7.359 5.786 1.00 0.00 N ATOM 1680 CA GLU B 632 1.719 -8.546 6.346 1.00 0.00 C ATOM 1681 C GLU B 632 1.036 -9.364 5.252 1.00 0.00 C ATOM 1682 O GLU B 632 1.006 -10.593 5.309 1.00 0.00 O ATOM 1683 CB GLU B 632 0.698 -8.151 7.415 1.00 0.00 C ATOM 1684 CG GLU B 632 1.305 -7.959 8.795 1.00 0.00 C ATOM 1685 CD GLU B 632 1.566 -9.273 9.504 1.00 0.00 C ATOM 1686 OE1 GLU B 632 0.586 -9.968 9.845 1.00 0.00 O ATOM 1687 OE2 GLU B 632 2.750 -9.608 9.720 1.00 0.00 O ATOM 0 H GLU B 632 2.003 -6.477 6.159 1.00 0.00 H new ATOM 0 HA GLU B 632 2.495 -9.159 6.805 1.00 0.00 H new ATOM 0 HB2 GLU B 632 0.206 -7.227 7.112 1.00 0.00 H new ATOM 0 HB3 GLU B 632 -0.073 -8.919 7.470 1.00 0.00 H new ATOM 0 HG2 GLU B 632 2.241 -7.408 8.703 1.00 0.00 H new ATOM 0 HG3 GLU B 632 0.635 -7.350 9.401 1.00 0.00 H new ATOM 1692 N ILE B 633 0.489 -8.671 4.259 1.00 0.00 N ATOM 1693 CA ILE B 633 -0.193 -9.332 3.153 1.00 0.00 C ATOM 1694 C ILE B 633 0.804 -10.006 2.217 1.00 0.00 C ATOM 1695 O ILE B 633 0.554 -11.100 1.711 1.00 0.00 O ATOM 1696 CB ILE B 633 -1.048 -8.338 2.344 1.00 0.00 C ATOM 1697 CG1 ILE B 633 -2.087 -7.673 3.249 1.00 0.00 C ATOM 1698 CG2 ILE B 633 -1.726 -9.048 1.182 1.00 0.00 C ATOM 1699 CD1 ILE B 633 -2.758 -6.473 2.618 1.00 0.00 C ATOM 0 H ILE B 633 0.505 -7.653 4.198 1.00 0.00 H new ATOM 0 HA ILE B 633 -0.845 -10.088 3.591 1.00 0.00 H new ATOM 0 HB ILE B 633 -0.396 -7.563 1.940 1.00 0.00 H new ATOM 0 HG12 ILE B 633 -2.848 -8.407 3.515 1.00 0.00 H new ATOM 0 HG13 ILE B 633 -1.605 -7.364 4.176 1.00 0.00 H new ATOM 0 HG21 ILE B 633 -2.327 -8.333 0.619 1.00 0.00 H new ATOM 0 HG22 ILE B 633 -0.969 -9.480 0.528 1.00 0.00 H new ATOM 0 HG23 ILE B 633 -2.369 -9.840 1.565 1.00 0.00 H new ATOM 0 HD11 ILE B 633 -3.482 -6.052 3.316 1.00 0.00 H new ATOM 0 HD12 ILE B 633 -2.007 -5.721 2.377 1.00 0.00 H new ATOM 0 HD13 ILE B 633 -3.269 -6.780 1.706 1.00 0.00 H new ATOM 1710 N ALA B 634 1.936 -9.347 1.992 1.00 0.00 N ATOM 1711 CA ALA B 634 2.973 -9.883 1.120 1.00 0.00 C ATOM 1712 C ALA B 634 3.652 -11.093 1.754 1.00 0.00 C ATOM 1713 O ALA B 634 4.119 -11.992 1.054 1.00 0.00 O ATOM 1714 CB ALA B 634 4.001 -8.808 0.798 1.00 0.00 C ATOM 0 H ALA B 634 2.158 -8.440 2.402 1.00 0.00 H new ATOM 0 HA ALA B 634 2.501 -10.208 0.193 1.00 0.00 H new ATOM 0 HB1 ALA B 634 4.769 -9.223 0.146 1.00 0.00 H new ATOM 0 HB2 ALA B 634 3.510 -7.974 0.296 1.00 0.00 H new ATOM 0 HB3 ALA B 634 4.460 -8.456 1.721 1.00 0.00 H new ATOM 1720 N VAL B 635 3.702 -11.109 3.082 1.00 0.00 N ATOM 1721 CA VAL B 635 4.323 -12.210 3.810 1.00 0.00 C ATOM 1722 C VAL B 635 3.428 -13.444 3.807 1.00 0.00 C ATOM 1723 O VAL B 635 3.915 -14.575 3.819 1.00 0.00 O ATOM 1724 CB VAL B 635 4.629 -11.815 5.267 1.00 0.00 C ATOM 1725 CG1 VAL B 635 5.251 -12.984 6.017 1.00 0.00 C ATOM 1726 CG2 VAL B 635 5.541 -10.599 5.309 1.00 0.00 C ATOM 0 H VAL B 635 3.320 -10.373 3.676 1.00 0.00 H new ATOM 0 HA VAL B 635 5.258 -12.442 3.299 1.00 0.00 H new ATOM 0 HB VAL B 635 3.692 -11.555 5.759 1.00 0.00 H new ATOM 0 HG11 VAL B 635 5.461 -12.687 7.045 1.00 0.00 H new ATOM 0 HG12 VAL B 635 4.559 -13.826 6.017 1.00 0.00 H new ATOM 0 HG13 VAL B 635 6.180 -13.277 5.528 1.00 0.00 H new ATOM 0 HG21 VAL B 635 5.747 -10.334 6.346 1.00 0.00 H new ATOM 0 HG22 VAL B 635 6.477 -10.829 4.801 1.00 0.00 H new ATOM 0 HG23 VAL B 635 5.054 -9.761 4.810 1.00 0.00 H new ATOM 1736 N GLU B 636 2.118 -13.220 3.789 1.00 0.00 N ATOM 1737 CA GLU B 636 1.157 -14.316 3.785 1.00 0.00 C ATOM 1738 C GLU B 636 1.131 -15.012 2.427 1.00 0.00 C ATOM 1739 O GLU B 636 1.263 -16.232 2.341 1.00 0.00 O ATOM 1740 CB GLU B 636 -0.241 -13.799 4.132 1.00 0.00 C ATOM 1741 CG GLU B 636 -0.751 -14.279 5.480 1.00 0.00 C ATOM 1742 CD GLU B 636 -1.422 -15.636 5.399 1.00 0.00 C ATOM 1743 OE1 GLU B 636 -2.346 -15.793 4.573 1.00 0.00 O ATOM 1744 OE2 GLU B 636 -1.027 -16.541 6.163 1.00 0.00 O ATOM 0 H GLU B 636 1.698 -12.290 3.777 1.00 0.00 H new ATOM 0 HA GLU B 636 1.467 -15.040 4.539 1.00 0.00 H new ATOM 0 HB2 GLU B 636 -0.228 -12.709 4.125 1.00 0.00 H new ATOM 0 HB3 GLU B 636 -0.939 -14.114 3.356 1.00 0.00 H new ATOM 0 HG2 GLU B 636 0.081 -14.330 6.182 1.00 0.00 H new ATOM 0 HG3 GLU B 636 -1.458 -13.551 5.877 1.00 0.00 H new ATOM 1749 N GLN B 637 0.961 -14.225 1.369 1.00 0.00 N ATOM 1750 CA GLN B 637 0.916 -14.766 0.015 1.00 0.00 C ATOM 1751 C GLN B 637 2.222 -15.474 -0.331 1.00 0.00 C ATOM 1752 O GLN B 637 2.237 -16.417 -1.122 1.00 0.00 O ATOM 1753 CB GLN B 637 0.644 -13.649 -0.994 1.00 0.00 C ATOM 1754 CG GLN B 637 1.841 -12.745 -1.239 1.00 0.00 C ATOM 1755 CD GLN B 637 2.691 -13.206 -2.406 1.00 0.00 C ATOM 1756 OE1 GLN B 637 2.173 -13.555 -3.467 1.00 0.00 O ATOM 1757 NE2 GLN B 637 4.005 -13.209 -2.216 1.00 0.00 N ATOM 0 H GLN B 637 0.852 -13.212 1.423 1.00 0.00 H new ATOM 0 HA GLN B 637 0.106 -15.494 -0.033 1.00 0.00 H new ATOM 0 HB2 GLN B 637 0.335 -14.093 -1.940 1.00 0.00 H new ATOM 0 HB3 GLN B 637 -0.190 -13.045 -0.638 1.00 0.00 H new ATOM 0 HG2 GLN B 637 1.492 -11.730 -1.427 1.00 0.00 H new ATOM 0 HG3 GLN B 637 2.455 -12.709 -0.339 1.00 0.00 H new ATOM 0 HE21 GLN B 637 4.391 -12.912 -1.320 1.00 0.00 H new ATOM 0 HE22 GLN B 637 4.628 -13.509 -2.966 1.00 0.00 H new ATOM 1764 N ALA B 638 3.316 -15.011 0.265 1.00 0.00 N ATOM 1765 CA ALA B 638 4.626 -15.601 0.021 1.00 0.00 C ATOM 1766 C ALA B 638 4.689 -17.033 0.539 1.00 0.00 C ATOM 1767 O ALA B 638 5.467 -17.849 0.045 1.00 0.00 O ATOM 1768 CB ALA B 638 5.714 -14.755 0.666 1.00 0.00 C ATOM 0 H ALA B 638 3.321 -14.229 0.920 1.00 0.00 H new ATOM 0 HA ALA B 638 4.791 -15.626 -1.056 1.00 0.00 H new ATOM 0 HB1 ALA B 638 6.687 -15.207 0.476 1.00 0.00 H new ATOM 0 HB2 ALA B 638 5.692 -13.750 0.244 1.00 0.00 H new ATOM 0 HB3 ALA B 638 5.543 -14.700 1.741 1.00 0.00 H new ATOM 1774 N ALA B 639 3.867 -17.333 1.539 1.00 0.00 N ATOM 1775 CA ALA B 639 3.827 -18.667 2.124 1.00 0.00 C ATOM 1776 C ALA B 639 3.027 -19.627 1.249 1.00 0.00 C ATOM 1777 O ALA B 639 3.238 -20.839 1.286 1.00 0.00 O ATOM 1778 CB ALA B 639 3.240 -18.612 3.526 1.00 0.00 C ATOM 0 H ALA B 639 3.219 -16.669 1.961 1.00 0.00 H new ATOM 0 HA ALA B 639 4.849 -19.040 2.186 1.00 0.00 H new ATOM 0 HB1 ALA B 639 3.216 -19.616 3.950 1.00 0.00 H new ATOM 0 HB2 ALA B 639 3.856 -17.967 4.153 1.00 0.00 H new ATOM 0 HB3 ALA B 639 2.227 -18.213 3.481 1.00 0.00 H new ATOM 1784 N LEU B 640 2.107 -19.076 0.465 1.00 0.00 N ATOM 1785 CA LEU B 640 1.272 -19.884 -0.418 1.00 0.00 C ATOM 1786 C LEU B 640 1.720 -19.741 -1.871 1.00 0.00 C ATOM 1787 O LEU B 640 0.922 -19.903 -2.793 1.00 0.00 O ATOM 1788 CB LEU B 640 -0.195 -19.474 -0.282 1.00 0.00 C ATOM 1789 CG LEU B 640 -0.667 -19.132 1.131 1.00 0.00 C ATOM 1790 CD1 LEU B 640 -2.043 -18.484 1.092 1.00 0.00 C ATOM 1791 CD2 LEU B 640 -0.688 -20.379 2.003 1.00 0.00 C ATOM 0 H LEU B 640 1.920 -18.074 0.422 1.00 0.00 H new ATOM 0 HA LEU B 640 1.379 -20.928 -0.124 1.00 0.00 H new ATOM 0 HB2 LEU B 640 -0.371 -18.609 -0.922 1.00 0.00 H new ATOM 0 HB3 LEU B 640 -0.815 -20.285 -0.665 1.00 0.00 H new ATOM 0 HG LEU B 640 0.035 -18.421 1.566 1.00 0.00 H new ATOM 0 HD11 LEU B 640 -2.363 -18.248 2.107 1.00 0.00 H new ATOM 0 HD12 LEU B 640 -1.997 -17.568 0.503 1.00 0.00 H new ATOM 0 HD13 LEU B 640 -2.756 -19.172 0.638 1.00 0.00 H new ATOM 0 HD21 LEU B 640 -1.026 -20.116 3.005 1.00 0.00 H new ATOM 0 HD22 LEU B 640 -1.368 -21.114 1.571 1.00 0.00 H new ATOM 0 HD23 LEU B 640 0.315 -20.801 2.058 1.00 0.00 H new ATOM 1802 N GLN B 641 3.000 -19.439 -2.062 1.00 0.00 N ATOM 1803 CA GLN B 641 3.552 -19.276 -3.402 1.00 0.00 C ATOM 1804 C GLN B 641 3.248 -20.495 -4.268 1.00 0.00 C ATOM 1805 O GLN B 641 2.878 -20.363 -5.434 1.00 0.00 O ATOM 1806 CB GLN B 641 5.063 -19.051 -3.329 1.00 0.00 C ATOM 1807 CG GLN B 641 5.449 -17.662 -2.850 1.00 0.00 C ATOM 1808 CD GLN B 641 5.434 -16.635 -3.965 1.00 0.00 C ATOM 1809 OE1 GLN B 641 6.422 -16.463 -4.681 1.00 0.00 O ATOM 1810 NE2 GLN B 641 4.311 -15.943 -4.120 1.00 0.00 N ATOM 0 H GLN B 641 3.673 -19.302 -1.308 1.00 0.00 H new ATOM 0 HA GLN B 641 3.083 -18.404 -3.858 1.00 0.00 H new ATOM 0 HB2 GLN B 641 5.500 -19.792 -2.659 1.00 0.00 H new ATOM 0 HB3 GLN B 641 5.495 -19.219 -4.316 1.00 0.00 H new ATOM 0 HG2 GLN B 641 4.762 -17.349 -2.064 1.00 0.00 H new ATOM 0 HG3 GLN B 641 6.445 -17.698 -2.408 1.00 0.00 H new ATOM 0 HE21 GLN B 641 3.516 -16.117 -3.505 1.00 0.00 H new ATOM 0 HE22 GLN B 641 4.244 -15.238 -4.854 1.00 0.00 H new ATOM 1817 N SER B 642 3.410 -21.681 -3.689 1.00 0.00 N ATOM 1818 CA SER B 642 3.157 -22.923 -4.410 1.00 0.00 C ATOM 1819 C SER B 642 1.697 -23.014 -4.840 1.00 0.00 C ATOM 1820 O SER B 642 1.368 -23.679 -5.822 1.00 0.00 O ATOM 1821 CB SER B 642 3.519 -24.126 -3.536 1.00 0.00 C ATOM 1822 OG SER B 642 2.548 -24.335 -2.527 1.00 0.00 O ATOM 0 H SER B 642 3.715 -21.808 -2.724 1.00 0.00 H new ATOM 0 HA SER B 642 3.781 -22.930 -5.303 1.00 0.00 H new ATOM 0 HB2 SER B 642 3.601 -25.018 -4.156 1.00 0.00 H new ATOM 0 HB3 SER B 642 4.495 -23.966 -3.078 1.00 0.00 H new ATOM 0 HG SER B 642 2.802 -25.110 -1.984 1.00 0.00 H new ATOM 1827 N ALA B 643 0.824 -22.342 -4.096 1.00 0.00 N ATOM 1828 CA ALA B 643 -0.601 -22.343 -4.401 1.00 0.00 C ATOM 1829 C ALA B 643 -0.911 -21.432 -5.584 1.00 0.00 C ATOM 1830 O ALA B 643 -1.829 -21.697 -6.361 1.00 0.00 O ATOM 1831 CB ALA B 643 -1.402 -21.919 -3.180 1.00 0.00 C ATOM 0 H ALA B 643 1.079 -21.790 -3.277 1.00 0.00 H new ATOM 0 HA ALA B 643 -0.888 -23.358 -4.675 1.00 0.00 H new ATOM 0 HB1 ALA B 643 -2.465 -21.924 -3.422 1.00 0.00 H new ATOM 0 HB2 ALA B 643 -1.213 -22.614 -2.362 1.00 0.00 H new ATOM 0 HB3 ALA B 643 -1.103 -20.915 -2.880 1.00 0.00 H new ATOM 1837 N TRP B 644 -0.142 -20.356 -5.713 1.00 0.00 N ATOM 1838 CA TRP B 644 -0.336 -19.405 -6.801 1.00 0.00 C ATOM 1839 C TRP B 644 -0.347 -20.116 -8.151 1.00 0.00 C ATOM 1840 O TRP B 644 0.487 -20.982 -8.412 1.00 0.00 O ATOM 1841 CB TRP B 644 0.764 -18.343 -6.780 1.00 0.00 C ATOM 1842 CG TRP B 644 0.442 -17.137 -7.609 1.00 0.00 C ATOM 1843 CD1 TRP B 644 0.604 -17.003 -8.958 1.00 0.00 C ATOM 1844 CD2 TRP B 644 -0.095 -15.894 -7.142 1.00 0.00 C ATOM 1845 NE1 TRP B 644 0.200 -15.753 -9.359 1.00 0.00 N ATOM 1846 CE2 TRP B 644 -0.235 -15.053 -8.263 1.00 0.00 C ATOM 1847 CE3 TRP B 644 -0.474 -15.412 -5.887 1.00 0.00 C ATOM 1848 CZ2 TRP B 644 -0.735 -13.758 -8.165 1.00 0.00 C ATOM 1849 CZ3 TRP B 644 -0.971 -14.126 -5.790 1.00 0.00 C ATOM 1850 CH2 TRP B 644 -1.098 -13.311 -6.924 1.00 0.00 C ATOM 0 H TRP B 644 0.621 -20.121 -5.078 1.00 0.00 H new ATOM 0 HA TRP B 644 -1.302 -18.921 -6.658 1.00 0.00 H new ATOM 0 HB2 TRP B 644 0.938 -18.031 -5.750 1.00 0.00 H new ATOM 0 HB3 TRP B 644 1.693 -18.785 -7.140 1.00 0.00 H new ATOM 0 HD1 TRP B 644 0.993 -17.768 -9.614 1.00 0.00 H new ATOM 0 HE1 TRP B 644 0.220 -15.402 -10.317 1.00 0.00 H new ATOM 0 HE3 TRP B 644 -0.380 -16.033 -5.008 1.00 0.00 H new ATOM 0 HZ2 TRP B 644 -0.833 -13.129 -9.037 1.00 0.00 H new ATOM 0 HZ3 TRP B 644 -1.266 -13.742 -4.825 1.00 0.00 H new ATOM 0 HH2 TRP B 644 -1.490 -12.311 -6.816 1.00 0.00 H new ATOM 1860 N GLN B 645 -1.298 -19.744 -9.003 1.00 0.00 N ATOM 1861 CA GLN B 645 -1.416 -20.347 -10.324 1.00 0.00 C ATOM 1862 C GLN B 645 -0.471 -19.676 -11.315 1.00 0.00 C ATOM 1863 O GLN B 645 0.510 -20.275 -11.755 1.00 0.00 O ATOM 1864 CB GLN B 645 -2.858 -20.245 -10.827 1.00 0.00 C ATOM 1865 CG GLN B 645 -3.881 -20.820 -9.862 1.00 0.00 C ATOM 1866 CD GLN B 645 -3.937 -22.335 -9.906 1.00 0.00 C ATOM 1867 OE1 GLN B 645 -4.542 -22.919 -10.804 1.00 0.00 O ATOM 1868 NE2 GLN B 645 -3.304 -22.979 -8.933 1.00 0.00 N ATOM 0 H GLN B 645 -1.997 -19.029 -8.801 1.00 0.00 H new ATOM 0 HA GLN B 645 -1.140 -21.398 -10.242 1.00 0.00 H new ATOM 0 HB2 GLN B 645 -3.096 -19.198 -11.014 1.00 0.00 H new ATOM 0 HB3 GLN B 645 -2.939 -20.765 -11.781 1.00 0.00 H new ATOM 0 HG2 GLN B 645 -3.640 -20.498 -8.849 1.00 0.00 H new ATOM 0 HG3 GLN B 645 -4.865 -20.417 -10.099 1.00 0.00 H new ATOM 0 HE21 GLN B 645 -2.815 -22.454 -8.208 1.00 0.00 H new ATOM 0 HE22 GLN B 645 -3.307 -23.999 -8.910 1.00 0.00 H new ATOM 1875 N GLY B 646 -0.773 -18.429 -11.664 1.00 0.00 N ATOM 1876 CA GLY B 646 0.060 -17.698 -12.601 1.00 0.00 C ATOM 1877 C GLY B 646 -0.539 -17.650 -13.993 1.00 0.00 C ATOM 1878 O GLY B 646 -0.180 -16.794 -14.801 1.00 0.00 O ATOM 0 H GLY B 646 -1.580 -17.912 -11.314 1.00 0.00 H new ATOM 0 HA2 GLY B 646 0.206 -16.681 -12.236 1.00 0.00 H new ATOM 0 HA3 GLY B 646 1.044 -18.164 -12.648 1.00 0.00 H new ATOM 1882 N ASP B 647 -1.453 -18.572 -14.274 1.00 0.00 N ATOM 1883 CA ASP B 647 -2.103 -18.632 -15.579 1.00 0.00 C ATOM 1884 C ASP B 647 -3.443 -17.905 -15.552 1.00 0.00 C ATOM 1885 O ASP B 647 -4.346 -18.215 -16.331 1.00 0.00 O ATOM 1886 CB ASP B 647 -2.305 -20.087 -16.005 1.00 0.00 C ATOM 1887 CG ASP B 647 -1.029 -20.722 -16.521 1.00 0.00 C ATOM 1888 OD1 ASP B 647 -0.178 -19.986 -17.064 1.00 0.00 O ATOM 1889 OD2 ASP B 647 -0.882 -21.954 -16.383 1.00 0.00 O ATOM 0 H ASP B 647 -1.761 -19.288 -13.616 1.00 0.00 H new ATOM 0 HA ASP B 647 -1.457 -18.137 -16.303 1.00 0.00 H new ATOM 0 HB2 ASP B 647 -2.677 -20.662 -15.157 1.00 0.00 H new ATOM 0 HB3 ASP B 647 -3.069 -20.133 -16.781 1.00 0.00 H new ATOM 1893 N THR B 648 -3.568 -16.938 -14.648 1.00 0.00 N ATOM 1894 CA THR B 648 -4.800 -16.168 -14.518 1.00 0.00 C ATOM 1895 C THR B 648 -4.549 -14.685 -14.766 1.00 0.00 C ATOM 1896 O THR B 648 -5.426 -13.972 -15.255 1.00 0.00 O ATOM 1897 CB THR B 648 -5.427 -16.345 -13.123 1.00 0.00 C ATOM 1898 OG1 THR B 648 -4.416 -16.236 -12.114 1.00 0.00 O ATOM 1899 CG2 THR B 648 -6.121 -17.694 -13.008 1.00 0.00 C ATOM 0 H THR B 648 -2.832 -16.669 -13.995 1.00 0.00 H new ATOM 0 HA THR B 648 -5.492 -16.547 -15.270 1.00 0.00 H new ATOM 0 HB THR B 648 -6.169 -15.559 -12.981 1.00 0.00 H new ATOM 0 HG1 THR B 648 -4.735 -16.651 -11.285 1.00 0.00 H new ATOM 0 HG21 THR B 648 -6.556 -17.796 -12.014 1.00 0.00 H new ATOM 0 HG22 THR B 648 -6.909 -17.763 -13.758 1.00 0.00 H new ATOM 0 HG23 THR B 648 -5.396 -18.491 -13.170 1.00 0.00 H new ATOM 1907 N GLY B 649 -3.349 -14.227 -14.427 1.00 0.00 N ATOM 1908 CA GLY B 649 -3.006 -12.830 -14.622 1.00 0.00 C ATOM 1909 C GLY B 649 -1.657 -12.476 -14.029 1.00 0.00 C ATOM 1910 O GLY B 649 -0.618 -12.716 -14.646 1.00 0.00 O ATOM 0 H GLY B 649 -2.608 -14.798 -14.021 1.00 0.00 H new ATOM 0 HA2 GLY B 649 -3.001 -12.606 -15.689 1.00 0.00 H new ATOM 0 HA3 GLY B 649 -3.774 -12.204 -14.169 1.00 0.00 H new ATOM 1914 N ILE B 650 -1.672 -11.904 -12.830 1.00 0.00 N ATOM 1915 CA ILE B 650 -0.441 -11.515 -12.155 1.00 0.00 C ATOM 1916 C ILE B 650 0.308 -12.737 -11.629 1.00 0.00 C ATOM 1917 O ILE B 650 -0.303 -13.709 -11.183 1.00 0.00 O ATOM 1918 CB ILE B 650 -0.720 -10.556 -10.982 1.00 0.00 C ATOM 1919 CG1 ILE B 650 -1.438 -9.300 -11.482 1.00 0.00 C ATOM 1920 CG2 ILE B 650 0.578 -10.185 -10.280 1.00 0.00 C ATOM 1921 CD1 ILE B 650 -1.758 -8.310 -10.385 1.00 0.00 C ATOM 0 H ILE B 650 -2.523 -11.700 -12.306 1.00 0.00 H new ATOM 0 HA ILE B 650 0.175 -11.003 -12.894 1.00 0.00 H new ATOM 0 HB ILE B 650 -1.367 -11.062 -10.265 1.00 0.00 H new ATOM 0 HG12 ILE B 650 -0.817 -8.811 -12.232 1.00 0.00 H new ATOM 0 HG13 ILE B 650 -2.364 -9.593 -11.977 1.00 0.00 H new ATOM 0 HG21 ILE B 650 0.364 -9.507 -9.454 1.00 0.00 H new ATOM 0 HG22 ILE B 650 1.054 -11.087 -9.895 1.00 0.00 H new ATOM 0 HG23 ILE B 650 1.247 -9.695 -10.987 1.00 0.00 H new ATOM 0 HD11 ILE B 650 -2.266 -7.445 -10.812 1.00 0.00 H new ATOM 0 HD12 ILE B 650 -2.405 -8.782 -9.646 1.00 0.00 H new ATOM 0 HD13 ILE B 650 -0.834 -7.988 -9.905 1.00 0.00 H new ATOM 1932 N THR B 651 1.634 -12.679 -11.684 1.00 0.00 N ATOM 1933 CA THR B 651 2.466 -13.780 -11.214 1.00 0.00 C ATOM 1934 C THR B 651 3.040 -13.485 -9.833 1.00 0.00 C ATOM 1935 O THR B 651 2.840 -12.401 -9.286 1.00 0.00 O ATOM 1936 CB THR B 651 3.625 -14.065 -12.189 1.00 0.00 C ATOM 1937 OG1 THR B 651 3.371 -13.434 -13.449 1.00 0.00 O ATOM 1938 CG2 THR B 651 3.806 -15.561 -12.392 1.00 0.00 C ATOM 0 H THR B 651 2.155 -11.882 -12.049 1.00 0.00 H new ATOM 0 HA THR B 651 1.824 -14.659 -11.158 1.00 0.00 H new ATOM 0 HB THR B 651 4.541 -13.660 -11.759 1.00 0.00 H new ATOM 0 HG1 THR B 651 4.113 -13.618 -14.063 1.00 0.00 H new ATOM 0 HG21 THR B 651 4.630 -15.737 -13.084 1.00 0.00 H new ATOM 0 HG22 THR B 651 4.028 -16.034 -11.435 1.00 0.00 H new ATOM 0 HG23 THR B 651 2.890 -15.986 -12.802 1.00 0.00 H new ATOM 1946 N TYR B 652 3.753 -14.456 -9.275 1.00 0.00 N ATOM 1947 CA TYR B 652 4.355 -14.301 -7.955 1.00 0.00 C ATOM 1948 C TYR B 652 5.460 -13.250 -7.981 1.00 0.00 C ATOM 1949 O TYR B 652 5.614 -12.472 -7.039 1.00 0.00 O ATOM 1950 CB TYR B 652 4.917 -15.637 -7.467 1.00 0.00 C ATOM 1951 CG TYR B 652 6.028 -16.180 -8.337 1.00 0.00 C ATOM 1952 CD1 TYR B 652 5.748 -16.993 -9.428 1.00 0.00 C ATOM 1953 CD2 TYR B 652 7.358 -15.881 -8.067 1.00 0.00 C ATOM 1954 CE1 TYR B 652 6.760 -17.493 -10.225 1.00 0.00 C ATOM 1955 CE2 TYR B 652 8.376 -16.374 -8.860 1.00 0.00 C ATOM 1956 CZ TYR B 652 8.071 -17.180 -9.937 1.00 0.00 C ATOM 1957 OH TYR B 652 9.083 -17.674 -10.728 1.00 0.00 O ATOM 0 H TYR B 652 3.929 -15.359 -9.715 1.00 0.00 H new ATOM 0 HA TYR B 652 3.578 -13.969 -7.266 1.00 0.00 H new ATOM 0 HB2 TYR B 652 5.290 -15.515 -6.450 1.00 0.00 H new ATOM 0 HB3 TYR B 652 4.109 -16.368 -7.425 1.00 0.00 H new ATOM 0 HD1 TYR B 652 4.722 -17.239 -9.657 1.00 0.00 H new ATOM 0 HD2 TYR B 652 7.600 -15.252 -7.223 1.00 0.00 H new ATOM 0 HE1 TYR B 652 6.525 -18.125 -11.069 1.00 0.00 H new ATOM 0 HE2 TYR B 652 9.404 -16.130 -8.638 1.00 0.00 H new ATOM 0 HH TYR B 652 9.947 -17.358 -10.389 1.00 0.00 H new ATOM 1966 N GLN B 653 6.227 -13.234 -9.067 1.00 0.00 N ATOM 1967 CA GLN B 653 7.319 -12.278 -9.216 1.00 0.00 C ATOM 1968 C GLN B 653 6.783 -10.879 -9.501 1.00 0.00 C ATOM 1969 O GLN B 653 7.296 -9.889 -8.979 1.00 0.00 O ATOM 1970 CB GLN B 653 8.258 -12.717 -10.340 1.00 0.00 C ATOM 1971 CG GLN B 653 7.574 -12.832 -11.693 1.00 0.00 C ATOM 1972 CD GLN B 653 8.430 -13.549 -12.720 1.00 0.00 C ATOM 1973 OE1 GLN B 653 9.548 -13.974 -12.426 1.00 0.00 O ATOM 1974 NE2 GLN B 653 7.908 -13.687 -13.933 1.00 0.00 N ATOM 0 H GLN B 653 6.113 -13.871 -9.855 1.00 0.00 H new ATOM 0 HA GLN B 653 7.874 -12.249 -8.279 1.00 0.00 H new ATOM 0 HB2 GLN B 653 9.079 -12.004 -10.416 1.00 0.00 H new ATOM 0 HB3 GLN B 653 8.696 -13.681 -10.081 1.00 0.00 H new ATOM 0 HG2 GLN B 653 6.631 -13.366 -11.575 1.00 0.00 H new ATOM 0 HG3 GLN B 653 7.332 -11.834 -12.060 1.00 0.00 H new ATOM 0 HE21 GLN B 653 6.978 -13.319 -14.133 1.00 0.00 H new ATOM 0 HE22 GLN B 653 8.437 -14.161 -14.665 1.00 0.00 H new ATOM 1981 N ALA B 654 5.749 -10.805 -10.332 1.00 0.00 N ATOM 1982 CA ALA B 654 5.143 -9.528 -10.685 1.00 0.00 C ATOM 1983 C ALA B 654 4.362 -8.947 -9.511 1.00 0.00 C ATOM 1984 O ALA B 654 4.455 -7.754 -9.222 1.00 0.00 O ATOM 1985 CB ALA B 654 4.235 -9.691 -11.896 1.00 0.00 C ATOM 0 H ALA B 654 5.314 -11.615 -10.773 1.00 0.00 H new ATOM 0 HA ALA B 654 5.943 -8.832 -10.935 1.00 0.00 H new ATOM 0 HB1 ALA B 654 3.789 -8.729 -12.148 1.00 0.00 H new ATOM 0 HB2 ALA B 654 4.819 -10.054 -12.742 1.00 0.00 H new ATOM 0 HB3 ALA B 654 3.446 -10.407 -11.666 1.00 0.00 H new ATOM 1991 N TRP B 655 3.594 -9.796 -8.840 1.00 0.00 N ATOM 1992 CA TRP B 655 2.797 -9.366 -7.697 1.00 0.00 C ATOM 1993 C TRP B 655 3.684 -8.791 -6.599 1.00 0.00 C ATOM 1994 O TRP B 655 3.354 -7.773 -5.993 1.00 0.00 O ATOM 1995 CB TRP B 655 1.980 -10.538 -7.149 1.00 0.00 C ATOM 1996 CG TRP B 655 0.944 -10.123 -6.147 1.00 0.00 C ATOM 1997 CD1 TRP B 655 -0.398 -9.996 -6.362 1.00 0.00 C ATOM 1998 CD2 TRP B 655 1.168 -9.781 -4.775 1.00 0.00 C ATOM 1999 NE1 TRP B 655 -1.023 -9.594 -5.206 1.00 0.00 N ATOM 2000 CE2 TRP B 655 -0.085 -9.456 -4.219 1.00 0.00 C ATOM 2001 CE3 TRP B 655 2.303 -9.718 -3.962 1.00 0.00 C ATOM 2002 CZ2 TRP B 655 -0.230 -9.074 -2.887 1.00 0.00 C ATOM 2003 CZ3 TRP B 655 2.157 -9.338 -2.642 1.00 0.00 C ATOM 2004 CH2 TRP B 655 0.898 -9.021 -2.114 1.00 0.00 C ATOM 0 H TRP B 655 3.506 -10.786 -9.067 1.00 0.00 H new ATOM 0 HA TRP B 655 2.117 -8.584 -8.034 1.00 0.00 H new ATOM 0 HB2 TRP B 655 1.490 -11.049 -7.978 1.00 0.00 H new ATOM 0 HB3 TRP B 655 2.655 -11.257 -6.686 1.00 0.00 H new ATOM 0 HD1 TRP B 655 -0.895 -10.184 -7.302 1.00 0.00 H new ATOM 0 HE1 TRP B 655 -2.024 -9.426 -5.101 1.00 0.00 H new ATOM 0 HE3 TRP B 655 3.277 -9.962 -4.359 1.00 0.00 H new ATOM 0 HZ2 TRP B 655 -1.199 -8.828 -2.479 1.00 0.00 H new ATOM 0 HZ3 TRP B 655 3.028 -9.284 -2.006 1.00 0.00 H new ATOM 0 HH2 TRP B 655 0.817 -8.729 -1.077 1.00 0.00 H new ATOM 2014 N GLN B 656 4.811 -9.450 -6.349 1.00 0.00 N ATOM 2015 CA GLN B 656 5.746 -9.004 -5.323 1.00 0.00 C ATOM 2016 C GLN B 656 6.230 -7.586 -5.608 1.00 0.00 C ATOM 2017 O GLN B 656 6.099 -6.695 -4.770 1.00 0.00 O ATOM 2018 CB GLN B 656 6.940 -9.956 -5.241 1.00 0.00 C ATOM 2019 CG GLN B 656 6.705 -11.148 -4.326 1.00 0.00 C ATOM 2020 CD GLN B 656 7.958 -11.566 -3.581 1.00 0.00 C ATOM 2021 OE1 GLN B 656 8.751 -10.725 -3.156 1.00 0.00 O ATOM 2022 NE2 GLN B 656 8.143 -12.871 -3.416 1.00 0.00 N ATOM 0 H GLN B 656 5.099 -10.295 -6.843 1.00 0.00 H new ATOM 0 HA GLN B 656 5.224 -9.005 -4.366 1.00 0.00 H new ATOM 0 HB2 GLN B 656 7.175 -10.318 -6.242 1.00 0.00 H new ATOM 0 HB3 GLN B 656 7.811 -9.404 -4.888 1.00 0.00 H new ATOM 0 HG2 GLN B 656 5.924 -10.901 -3.607 1.00 0.00 H new ATOM 0 HG3 GLN B 656 6.340 -11.988 -4.916 1.00 0.00 H new ATOM 0 HE21 GLN B 656 7.460 -13.533 -3.784 1.00 0.00 H new ATOM 0 HE22 GLN B 656 8.968 -13.211 -2.921 1.00 0.00 H new ATOM 2029 N ALA B 657 6.791 -7.385 -6.796 1.00 0.00 N ATOM 2030 CA ALA B 657 7.293 -6.076 -7.192 1.00 0.00 C ATOM 2031 C ALA B 657 6.166 -5.051 -7.252 1.00 0.00 C ATOM 2032 O ALA B 657 6.290 -3.947 -6.721 1.00 0.00 O ATOM 2033 CB ALA B 657 7.999 -6.166 -8.537 1.00 0.00 C ATOM 0 H ALA B 657 6.909 -8.113 -7.501 1.00 0.00 H new ATOM 0 HA ALA B 657 8.009 -5.746 -6.439 1.00 0.00 H new ATOM 0 HB1 ALA B 657 8.369 -5.181 -8.820 1.00 0.00 H new ATOM 0 HB2 ALA B 657 8.836 -6.860 -8.463 1.00 0.00 H new ATOM 0 HB3 ALA B 657 7.298 -6.522 -9.293 1.00 0.00 H new ATOM 2039 N GLN B 658 5.068 -5.422 -7.901 1.00 0.00 N ATOM 2040 CA GLN B 658 3.919 -4.533 -8.031 1.00 0.00 C ATOM 2041 C GLN B 658 3.427 -4.077 -6.662 1.00 0.00 C ATOM 2042 O GLN B 658 3.275 -2.881 -6.413 1.00 0.00 O ATOM 2043 CB GLN B 658 2.788 -5.233 -8.786 1.00 0.00 C ATOM 2044 CG GLN B 658 2.903 -5.120 -10.298 1.00 0.00 C ATOM 2045 CD GLN B 658 1.638 -5.549 -11.014 1.00 0.00 C ATOM 2046 OE1 GLN B 658 0.701 -4.766 -11.165 1.00 0.00 O ATOM 2047 NE2 GLN B 658 1.604 -6.800 -11.458 1.00 0.00 N ATOM 0 H GLN B 658 4.949 -6.332 -8.345 1.00 0.00 H new ATOM 0 HA GLN B 658 4.233 -3.655 -8.595 1.00 0.00 H new ATOM 0 HB2 GLN B 658 2.776 -6.287 -8.509 1.00 0.00 H new ATOM 0 HB3 GLN B 658 1.835 -4.809 -8.470 1.00 0.00 H new ATOM 0 HG2 GLN B 658 3.135 -4.089 -10.565 1.00 0.00 H new ATOM 0 HG3 GLN B 658 3.736 -5.733 -10.642 1.00 0.00 H new ATOM 0 HE21 GLN B 658 2.404 -7.415 -11.311 1.00 0.00 H new ATOM 0 HE22 GLN B 658 0.778 -7.146 -11.946 1.00 0.00 H new ATOM 2054 N TRP B 659 3.179 -5.037 -5.779 1.00 0.00 N ATOM 2055 CA TRP B 659 2.702 -4.733 -4.434 1.00 0.00 C ATOM 2056 C TRP B 659 3.601 -3.704 -3.758 1.00 0.00 C ATOM 2057 O TRP B 659 3.127 -2.681 -3.266 1.00 0.00 O ATOM 2058 CB TRP B 659 2.643 -6.008 -3.591 1.00 0.00 C ATOM 2059 CG TRP B 659 2.129 -5.780 -2.202 1.00 0.00 C ATOM 2060 CD1 TRP B 659 2.872 -5.555 -1.079 1.00 0.00 C ATOM 2061 CD2 TRP B 659 0.758 -5.753 -1.789 1.00 0.00 C ATOM 2062 NE1 TRP B 659 2.047 -5.392 0.007 1.00 0.00 N ATOM 2063 CE2 TRP B 659 0.746 -5.508 -0.402 1.00 0.00 C ATOM 2064 CE3 TRP B 659 -0.460 -5.912 -2.456 1.00 0.00 C ATOM 2065 CZ2 TRP B 659 -0.437 -5.419 0.327 1.00 0.00 C ATOM 2066 CZ3 TRP B 659 -1.632 -5.825 -1.731 1.00 0.00 C ATOM 2067 CH2 TRP B 659 -1.615 -5.579 -0.352 1.00 0.00 C ATOM 0 H TRP B 659 3.300 -6.032 -5.969 1.00 0.00 H new ATOM 0 HA TRP B 659 1.699 -4.314 -4.517 1.00 0.00 H new ATOM 0 HB2 TRP B 659 2.005 -6.736 -4.091 1.00 0.00 H new ATOM 0 HB3 TRP B 659 3.641 -6.444 -3.534 1.00 0.00 H new ATOM 0 HD1 TRP B 659 3.951 -5.512 -1.049 1.00 0.00 H new ATOM 0 HE1 TRP B 659 2.354 -5.213 0.963 1.00 0.00 H new ATOM 0 HE3 TRP B 659 -0.484 -6.100 -3.519 1.00 0.00 H new ATOM 0 HZ2 TRP B 659 -0.426 -5.230 1.390 1.00 0.00 H new ATOM 0 HZ3 TRP B 659 -2.579 -5.949 -2.236 1.00 0.00 H new ATOM 0 HH2 TRP B 659 -2.549 -5.514 0.186 1.00 0.00 H new ATOM 2077 N ASN B 660 4.901 -3.983 -3.736 1.00 0.00 N ATOM 2078 CA ASN B 660 5.866 -3.079 -3.120 1.00 0.00 C ATOM 2079 C ASN B 660 5.705 -1.661 -3.658 1.00 0.00 C ATOM 2080 O ASN B 660 5.583 -0.706 -2.891 1.00 0.00 O ATOM 2081 CB ASN B 660 7.292 -3.574 -3.372 1.00 0.00 C ATOM 2082 CG ASN B 660 8.164 -3.476 -2.136 1.00 0.00 C ATOM 2083 OD1 ASN B 660 8.234 -2.428 -1.493 1.00 0.00 O ATOM 2084 ND2 ASN B 660 8.836 -4.571 -1.798 1.00 0.00 N ATOM 0 H ASN B 660 5.310 -4.827 -4.137 1.00 0.00 H new ATOM 0 HA ASN B 660 5.678 -3.064 -2.046 1.00 0.00 H new ATOM 0 HB2 ASN B 660 7.260 -4.610 -3.710 1.00 0.00 H new ATOM 0 HB3 ASN B 660 7.740 -2.990 -4.176 1.00 0.00 H new ATOM 0 HD21 ASN B 660 9.440 -4.565 -0.976 1.00 0.00 H new ATOM 0 HD22 ASN B 660 8.748 -5.417 -2.360 1.00 0.00 H new ATOM 2090 N GLN B 661 5.705 -1.532 -4.982 1.00 0.00 N ATOM 2091 CA GLN B 661 5.560 -0.230 -5.622 1.00 0.00 C ATOM 2092 C GLN B 661 4.307 0.484 -5.125 1.00 0.00 C ATOM 2093 O GLN B 661 4.347 1.668 -4.794 1.00 0.00 O ATOM 2094 CB GLN B 661 5.500 -0.390 -7.142 1.00 0.00 C ATOM 2095 CG GLN B 661 6.830 -0.783 -7.765 1.00 0.00 C ATOM 2096 CD GLN B 661 7.926 0.225 -7.482 1.00 0.00 C ATOM 2097 OE1 GLN B 661 7.695 1.434 -7.503 1.00 0.00 O ATOM 2098 NE2 GLN B 661 9.130 -0.269 -7.215 1.00 0.00 N ATOM 0 H GLN B 661 5.804 -2.313 -5.631 1.00 0.00 H new ATOM 0 HA GLN B 661 6.429 0.374 -5.361 1.00 0.00 H new ATOM 0 HB2 GLN B 661 4.754 -1.145 -7.390 1.00 0.00 H new ATOM 0 HB3 GLN B 661 5.164 0.548 -7.585 1.00 0.00 H new ATOM 0 HG2 GLN B 661 7.131 -1.759 -7.384 1.00 0.00 H new ATOM 0 HG3 GLN B 661 6.706 -0.886 -8.843 1.00 0.00 H new ATOM 0 HE21 GLN B 661 9.277 -1.278 -7.208 1.00 0.00 H new ATOM 0 HE22 GLN B 661 9.907 0.361 -7.017 1.00 0.00 H new ATOM 2105 N ALA B 662 3.197 -0.244 -5.075 1.00 0.00 N ATOM 2106 CA ALA B 662 1.933 0.319 -4.616 1.00 0.00 C ATOM 2107 C ALA B 662 2.066 0.891 -3.208 1.00 0.00 C ATOM 2108 O ALA B 662 1.744 2.054 -2.967 1.00 0.00 O ATOM 2109 CB ALA B 662 0.839 -0.736 -4.657 1.00 0.00 C ATOM 0 H ALA B 662 3.147 -1.226 -5.347 1.00 0.00 H new ATOM 0 HA ALA B 662 1.662 1.134 -5.287 1.00 0.00 H new ATOM 0 HB1 ALA B 662 -0.099 -0.301 -4.312 1.00 0.00 H new ATOM 0 HB2 ALA B 662 0.718 -1.095 -5.679 1.00 0.00 H new ATOM 0 HB3 ALA B 662 1.113 -1.569 -4.010 1.00 0.00 H new ATOM 2115 N MET B 663 2.542 0.066 -2.282 1.00 0.00 N ATOM 2116 CA MET B 663 2.718 0.491 -0.898 1.00 0.00 C ATOM 2117 C MET B 663 3.539 1.775 -0.823 1.00 0.00 C ATOM 2118 O MET B 663 3.108 2.763 -0.231 1.00 0.00 O ATOM 2119 CB MET B 663 3.399 -0.612 -0.085 1.00 0.00 C ATOM 2120 CG MET B 663 3.640 -0.236 1.368 1.00 0.00 C ATOM 2121 SD MET B 663 2.568 -1.134 2.505 1.00 0.00 S ATOM 2122 CE MET B 663 0.959 -0.524 2.007 1.00 0.00 C ATOM 0 H MET B 663 2.813 -0.900 -2.464 1.00 0.00 H new ATOM 0 HA MET B 663 1.732 0.686 -0.477 1.00 0.00 H new ATOM 0 HB2 MET B 663 2.784 -1.511 -0.122 1.00 0.00 H new ATOM 0 HB3 MET B 663 4.353 -0.859 -0.551 1.00 0.00 H new ATOM 0 HG2 MET B 663 4.681 -0.435 1.623 1.00 0.00 H new ATOM 0 HG3 MET B 663 3.480 0.835 1.493 1.00 0.00 H new ATOM 0 HE1 MET B 663 0.272 -0.577 2.852 1.00 0.00 H new ATOM 0 HE2 MET B 663 1.049 0.511 1.676 1.00 0.00 H new ATOM 0 HE3 MET B 663 0.576 -1.134 1.189 1.00 0.00 H new ATOM 2130 N GLU B 664 4.723 1.750 -1.428 1.00 0.00 N ATOM 2131 CA GLU B 664 5.604 2.912 -1.427 1.00 0.00 C ATOM 2132 C GLU B 664 4.866 4.154 -1.916 1.00 0.00 C ATOM 2133 O GLU B 664 5.138 5.269 -1.467 1.00 0.00 O ATOM 2134 CB GLU B 664 6.827 2.653 -2.310 1.00 0.00 C ATOM 2135 CG GLU B 664 8.142 3.051 -1.660 1.00 0.00 C ATOM 2136 CD GLU B 664 9.003 1.854 -1.307 1.00 0.00 C ATOM 2137 OE1 GLU B 664 9.707 1.344 -2.203 1.00 0.00 O ATOM 2138 OE2 GLU B 664 8.974 1.428 -0.132 1.00 0.00 O ATOM 0 H GLU B 664 5.093 0.939 -1.924 1.00 0.00 H new ATOM 0 HA GLU B 664 5.934 3.085 -0.403 1.00 0.00 H new ATOM 0 HB2 GLU B 664 6.863 1.594 -2.565 1.00 0.00 H new ATOM 0 HB3 GLU B 664 6.713 3.202 -3.245 1.00 0.00 H new ATOM 0 HG2 GLU B 664 8.694 3.704 -2.336 1.00 0.00 H new ATOM 0 HG3 GLU B 664 7.937 3.626 -0.757 1.00 0.00 H new ATOM 2143 N ASP B 665 3.931 3.956 -2.838 1.00 0.00 N ATOM 2144 CA ASP B 665 3.152 5.058 -3.388 1.00 0.00 C ATOM 2145 C ASP B 665 2.171 5.601 -2.354 1.00 0.00 C ATOM 2146 O ASP B 665 2.074 6.812 -2.148 1.00 0.00 O ATOM 2147 CB ASP B 665 2.394 4.603 -4.637 1.00 0.00 C ATOM 2148 CG ASP B 665 2.125 5.745 -5.599 1.00 0.00 C ATOM 2149 OD1 ASP B 665 2.601 6.868 -5.334 1.00 0.00 O ATOM 2150 OD2 ASP B 665 1.435 5.515 -6.614 1.00 0.00 O ATOM 0 H ASP B 665 3.694 3.041 -3.221 1.00 0.00 H new ATOM 0 HA ASP B 665 3.843 5.856 -3.661 1.00 0.00 H new ATOM 0 HB2 ASP B 665 2.970 3.830 -5.147 1.00 0.00 H new ATOM 0 HB3 ASP B 665 1.448 4.151 -4.340 1.00 0.00 H new ATOM 2154 N LEU B 666 1.446 4.698 -1.704 1.00 0.00 N ATOM 2155 CA LEU B 666 0.470 5.085 -0.690 1.00 0.00 C ATOM 2156 C LEU B 666 1.137 5.872 0.433 1.00 0.00 C ATOM 2157 O LEU B 666 0.602 6.876 0.905 1.00 0.00 O ATOM 2158 CB LEU B 666 -0.220 3.845 -0.119 1.00 0.00 C ATOM 2159 CG LEU B 666 -0.787 2.861 -1.143 1.00 0.00 C ATOM 2160 CD1 LEU B 666 -0.742 1.442 -0.601 1.00 0.00 C ATOM 2161 CD2 LEU B 666 -2.211 3.245 -1.519 1.00 0.00 C ATOM 0 H LEU B 666 1.515 3.692 -1.860 1.00 0.00 H new ATOM 0 HA LEU B 666 -0.277 5.723 -1.163 1.00 0.00 H new ATOM 0 HB2 LEU B 666 0.495 3.313 0.509 1.00 0.00 H new ATOM 0 HB3 LEU B 666 -1.033 4.172 0.529 1.00 0.00 H new ATOM 0 HG LEU B 666 -0.170 2.905 -2.041 1.00 0.00 H new ATOM 0 HD11 LEU B 666 -1.150 0.756 -1.343 1.00 0.00 H new ATOM 0 HD12 LEU B 666 0.290 1.169 -0.382 1.00 0.00 H new ATOM 0 HD13 LEU B 666 -1.334 1.382 0.312 1.00 0.00 H new ATOM 0 HD21 LEU B 666 -2.599 2.534 -2.249 1.00 0.00 H new ATOM 0 HD22 LEU B 666 -2.839 3.230 -0.628 1.00 0.00 H new ATOM 0 HD23 LEU B 666 -2.216 4.246 -1.950 1.00 0.00 H new ATOM 2172 N VAL B 667 2.310 5.411 0.857 1.00 0.00 N ATOM 2173 CA VAL B 667 3.052 6.074 1.922 1.00 0.00 C ATOM 2174 C VAL B 667 3.440 7.493 1.522 1.00 0.00 C ATOM 2175 O VAL B 667 3.305 8.431 2.308 1.00 0.00 O ATOM 2176 CB VAL B 667 4.326 5.291 2.291 1.00 0.00 C ATOM 2177 CG1 VAL B 667 4.979 5.884 3.530 1.00 0.00 C ATOM 2178 CG2 VAL B 667 4.003 3.819 2.502 1.00 0.00 C ATOM 0 H VAL B 667 2.766 4.581 0.479 1.00 0.00 H new ATOM 0 HA VAL B 667 2.393 6.111 2.789 1.00 0.00 H new ATOM 0 HB VAL B 667 5.032 5.371 1.465 1.00 0.00 H new ATOM 0 HG11 VAL B 667 5.877 5.317 3.775 1.00 0.00 H new ATOM 0 HG12 VAL B 667 5.247 6.923 3.338 1.00 0.00 H new ATOM 0 HG13 VAL B 667 4.282 5.837 4.366 1.00 0.00 H new ATOM 0 HG21 VAL B 667 4.914 3.280 2.762 1.00 0.00 H new ATOM 0 HG22 VAL B 667 3.278 3.718 3.310 1.00 0.00 H new ATOM 0 HG23 VAL B 667 3.585 3.403 1.585 1.00 0.00 H new ATOM 2188 N ARG B 668 3.924 7.644 0.293 1.00 0.00 N ATOM 2189 CA ARG B 668 4.333 8.948 -0.212 1.00 0.00 C ATOM 2190 C ARG B 668 3.121 9.846 -0.445 1.00 0.00 C ATOM 2191 O ARG B 668 3.189 11.059 -0.252 1.00 0.00 O ATOM 2192 CB ARG B 668 5.121 8.791 -1.514 1.00 0.00 C ATOM 2193 CG ARG B 668 6.542 8.292 -1.309 1.00 0.00 C ATOM 2194 CD ARG B 668 7.226 7.999 -2.635 1.00 0.00 C ATOM 2195 NE ARG B 668 7.356 9.197 -3.461 1.00 0.00 N ATOM 2196 CZ ARG B 668 7.992 9.220 -4.627 1.00 0.00 C ATOM 2197 NH1 ARG B 668 8.551 8.117 -5.103 1.00 0.00 N ATOM 2198 NH2 ARG B 668 8.066 10.349 -5.321 1.00 0.00 N ATOM 0 H ARG B 668 4.042 6.879 -0.371 1.00 0.00 H new ATOM 0 HA ARG B 668 4.972 9.415 0.538 1.00 0.00 H new ATOM 0 HB2 ARG B 668 4.592 8.097 -2.168 1.00 0.00 H new ATOM 0 HB3 ARG B 668 5.153 9.752 -2.028 1.00 0.00 H new ATOM 0 HG2 ARG B 668 7.115 9.039 -0.760 1.00 0.00 H new ATOM 0 HG3 ARG B 668 6.527 7.389 -0.699 1.00 0.00 H new ATOM 0 HD2 ARG B 668 8.214 7.579 -2.448 1.00 0.00 H new ATOM 0 HD3 ARG B 668 6.656 7.245 -3.178 1.00 0.00 H new ATOM 0 HE ARG B 668 6.935 10.063 -3.124 1.00 0.00 H new ATOM 0 HH11 ARG B 668 8.494 7.247 -4.574 1.00 0.00 H new ATOM 0 HH12 ARG B 668 9.039 8.138 -5.999 1.00 0.00 H new ATOM 0 HH21 ARG B 668 7.634 11.199 -4.959 1.00 0.00 H new ATOM 0 HH22 ARG B 668 8.554 10.366 -6.216 1.00 0.00 H new ATOM 2209 N ALA B 669 2.014 9.240 -0.861 1.00 0.00 N ATOM 2210 CA ALA B 669 0.787 9.983 -1.117 1.00 0.00 C ATOM 2211 C ALA B 669 0.350 10.765 0.116 1.00 0.00 C ATOM 2212 O ALA B 669 -0.176 11.874 0.007 1.00 0.00 O ATOM 2213 CB ALA B 669 -0.320 9.038 -1.564 1.00 0.00 C ATOM 0 H ALA B 669 1.942 8.236 -1.028 1.00 0.00 H new ATOM 0 HA ALA B 669 0.986 10.697 -1.916 1.00 0.00 H new ATOM 0 HB1 ALA B 669 -1.231 9.607 -1.752 1.00 0.00 H new ATOM 0 HB2 ALA B 669 -0.016 8.528 -2.478 1.00 0.00 H new ATOM 0 HB3 ALA B 669 -0.507 8.301 -0.783 1.00 0.00 H new ATOM 2219 N TYR B 670 0.571 10.182 1.290 1.00 0.00 N ATOM 2220 CA TYR B 670 0.197 10.824 2.544 1.00 0.00 C ATOM 2221 C TYR B 670 1.130 11.989 2.859 1.00 0.00 C ATOM 2222 O TYR B 670 0.689 13.128 3.021 1.00 0.00 O ATOM 2223 CB TYR B 670 0.224 9.810 3.688 1.00 0.00 C ATOM 2224 CG TYR B 670 -0.467 10.293 4.943 1.00 0.00 C ATOM 2225 CD1 TYR B 670 0.049 11.350 5.681 1.00 0.00 C ATOM 2226 CD2 TYR B 670 -1.637 9.691 5.390 1.00 0.00 C ATOM 2227 CE1 TYR B 670 -0.578 11.795 6.828 1.00 0.00 C ATOM 2228 CE2 TYR B 670 -2.273 10.130 6.535 1.00 0.00 C ATOM 2229 CZ TYR B 670 -1.739 11.181 7.251 1.00 0.00 C ATOM 2230 OH TYR B 670 -2.369 11.622 8.393 1.00 0.00 O ATOM 0 H TYR B 670 1.007 9.266 1.399 1.00 0.00 H new ATOM 0 HA TYR B 670 -0.816 11.213 2.436 1.00 0.00 H new ATOM 0 HB2 TYR B 670 -0.250 8.887 3.355 1.00 0.00 H new ATOM 0 HB3 TYR B 670 1.260 9.569 3.924 1.00 0.00 H new ATOM 0 HD1 TYR B 670 0.957 11.833 5.352 1.00 0.00 H new ATOM 0 HD2 TYR B 670 -2.056 8.866 4.833 1.00 0.00 H new ATOM 0 HE1 TYR B 670 -0.162 12.618 7.390 1.00 0.00 H new ATOM 0 HE2 TYR B 670 -3.183 9.653 6.868 1.00 0.00 H new ATOM 0 HH TYR B 670 -3.173 11.085 8.551 1.00 0.00 H new ATOM 2239 N HIS B 671 2.424 11.696 2.944 1.00 0.00 N ATOM 2240 CA HIS B 671 3.421 12.718 3.239 1.00 0.00 C ATOM 2241 C HIS B 671 3.424 13.800 2.164 1.00 0.00 C ATOM 2242 O HIS B 671 3.935 14.899 2.377 1.00 0.00 O ATOM 2243 CB HIS B 671 4.811 12.088 3.349 1.00 0.00 C ATOM 2244 CG HIS B 671 5.634 12.647 4.469 1.00 0.00 C ATOM 2245 ND1 HIS B 671 5.457 12.283 5.787 1.00 0.00 N ATOM 2246 CD2 HIS B 671 6.645 13.547 4.461 1.00 0.00 C ATOM 2247 CE1 HIS B 671 6.323 12.936 6.542 1.00 0.00 C ATOM 2248 NE2 HIS B 671 7.056 13.709 5.761 1.00 0.00 N ATOM 0 H HIS B 671 2.806 10.759 2.813 1.00 0.00 H new ATOM 0 HA HIS B 671 3.162 13.178 4.193 1.00 0.00 H new ATOM 0 HB2 HIS B 671 4.704 11.012 3.490 1.00 0.00 H new ATOM 0 HB3 HIS B 671 5.343 12.235 2.409 1.00 0.00 H new ATOM 0 HD2 HIS B 671 7.052 14.045 3.594 1.00 0.00 H new ATOM 0 HE1 HIS B 671 6.416 12.852 7.615 1.00 0.00 H new ATOM 0 HE2 HIS B 671 7.806 14.326 6.073 1.00 0.00 H new ATOM 2255 N ALA B 672 2.852 13.480 1.008 1.00 0.00 N ATOM 2256 CA ALA B 672 2.788 14.425 -0.100 1.00 0.00 C ATOM 2257 C ALA B 672 2.191 15.755 0.345 1.00 0.00 C ATOM 2258 O ALA B 672 2.737 16.820 0.058 1.00 0.00 O ATOM 2259 CB ALA B 672 1.979 13.839 -1.247 1.00 0.00 C ATOM 0 H ALA B 672 2.426 12.574 0.814 1.00 0.00 H new ATOM 0 HA ALA B 672 3.805 14.611 -0.445 1.00 0.00 H new ATOM 0 HB1 ALA B 672 1.939 14.555 -2.068 1.00 0.00 H new ATOM 0 HB2 ALA B 672 2.450 12.918 -1.591 1.00 0.00 H new ATOM 0 HB3 ALA B 672 0.967 13.623 -0.905 1.00 0.00 H new ATOM 2265 N MET B 673 1.066 15.686 1.050 1.00 0.00 N ATOM 2266 CA MET B 673 0.395 16.886 1.536 1.00 0.00 C ATOM 2267 C MET B 673 1.346 17.743 2.366 1.00 0.00 C ATOM 2268 O MET B 673 1.236 18.968 2.386 1.00 0.00 O ATOM 2269 CB MET B 673 -0.830 16.509 2.371 1.00 0.00 C ATOM 2270 CG MET B 673 -0.497 15.673 3.597 1.00 0.00 C ATOM 2271 SD MET B 673 -0.918 16.506 5.140 1.00 0.00 S ATOM 2272 CE MET B 673 -2.480 15.722 5.533 1.00 0.00 C ATOM 0 H MET B 673 0.601 14.813 1.297 1.00 0.00 H new ATOM 0 HA MET B 673 0.072 17.466 0.672 1.00 0.00 H new ATOM 0 HB2 MET B 673 -1.337 17.420 2.689 1.00 0.00 H new ATOM 0 HB3 MET B 673 -1.531 15.957 1.744 1.00 0.00 H new ATOM 0 HG2 MET B 673 -1.033 14.725 3.542 1.00 0.00 H new ATOM 0 HG3 MET B 673 0.567 15.438 3.594 1.00 0.00 H new ATOM 0 HE1 MET B 673 -3.065 16.379 6.176 1.00 0.00 H new ATOM 0 HE2 MET B 673 -3.032 15.529 4.613 1.00 0.00 H new ATOM 0 HE3 MET B 673 -2.295 14.780 6.049 1.00 0.00 H new