USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=15 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 25 MET CE :methyl 175:sc= -3.91 (180deg=-3.22!) USER MOD Set 1.2: B 663 MET CE :methyl -179:sc= -4.74! (180deg=-4.47!) USER MOD Set 2.1: B 652 TYR OH : rot 106:sc= 0.0494 USER MOD Set 2.2: B 653 GLN : amide:sc= -0.145 K(o=-0.096,f=-1.9!) USER MOD Set 3.1: B 637 GLN : amide:sc= -7.95! C(o=-13!,f=-6.2!) USER MOD Set 3.2: B 641 GLN : amide:sc= -4.84! C(o=-13!,f=-5.6!) USER MOD Set 4.1: A 75 ASN : amide:sc= -4.29 K(o=-5.2,f=-2.9) USER MOD Set 4.2: B 648 THR OG1 : rot -120:sc= -0.932 USER MOD Set 5.1: A 66 ASN : amide:sc= -0.361 X(o=0.044,f=0.39) USER MOD Set 5.2: A 67 THR OG1 : rot 81:sc= 0.405 USER MOD Single : A 21 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.128) USER MOD Single : A 27 HIS : no HD1:sc= -1.21 K(o=-1.2,f=-0.38) USER MOD Single : A 28 THR OG1 : rot 66:sc= -0.382 USER MOD Single : A 31 GLN : amide:sc= -0.406 X(o=-0.41,f=-0.41) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.063) USER MOD Single : A 55 HIS : no HD1:sc= -0.7 K(o=-0.7,f=-0.092) USER MOD Single : A 64 LYS NZ :NH3+ 175:sc= -0.245 (180deg=-0.3) USER MOD Single : A 73 GLN : amide:sc= -0.183 X(o=-0.18,f=0) 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= -0.305 X(o=-0.31,f=0) USER MOD Single : B 628 SER OG : rot 87:sc= 0.357 USER MOD Single : B 642 SER OG : rot 180:sc= 0.0179 USER MOD Single : B 645 GLN : amide:sc=1.13e-05 X(o=1.1e-05,f=-0.0014) USER MOD Single : B 651 THR OG1 : rot 180:sc= 0.0134 USER MOD Single : B 656 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 658 GLN : amide:sc= -4.44! C(o=-4.4!,f=-3.7!) USER MOD Single : B 660 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 661 GLN : amide:sc= -0.0191 X(o=-0.019,f=-0.079) USER MOD Single : B 670 TYR OH : rot 180:sc= 0 USER MOD Single : B 671 HIS : no HD1:sc= -0.223 X(o=-0.22,f=-0.041) USER MOD Single : B 673 MET CE :methyl 168:sc= 0 (180deg=-0.202) USER MOD ----------------------------------------------------------------- ATOM 222 N ALA A 17 -7.299 -16.844 5.768 1.00 0.00 N ATOM 223 CA ALA A 17 -6.134 -16.279 6.438 1.00 0.00 C ATOM 224 C ALA A 17 -5.682 -14.991 5.757 1.00 0.00 C ATOM 225 O ALA A 17 -5.209 -14.064 6.415 1.00 0.00 O ATOM 226 CB ALA A 17 -4.999 -17.291 6.465 1.00 0.00 C ATOM 0 HA ALA A 17 -6.415 -16.038 7.463 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -4.135 -16.856 6.968 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -5.320 -18.184 7.002 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.727 -17.560 5.444 1.00 0.00 H new ATOM 232 N PHE A 18 -5.829 -14.941 4.438 1.00 0.00 N ATOM 233 CA PHE A 18 -5.433 -13.767 3.669 1.00 0.00 C ATOM 234 C PHE A 18 -6.472 -12.656 3.798 1.00 0.00 C ATOM 235 O PHE A 18 -6.132 -11.498 4.036 1.00 0.00 O ATOM 236 CB PHE A 18 -5.246 -14.135 2.195 1.00 0.00 C ATOM 237 CG PHE A 18 -4.248 -13.269 1.483 1.00 0.00 C ATOM 238 CD1 PHE A 18 -4.636 -12.067 0.912 1.00 0.00 C ATOM 239 CD2 PHE A 18 -2.920 -13.655 1.384 1.00 0.00 C ATOM 240 CE1 PHE A 18 -3.720 -11.267 0.256 1.00 0.00 C ATOM 241 CE2 PHE A 18 -2.000 -12.858 0.730 1.00 0.00 C ATOM 242 CZ PHE A 18 -2.401 -11.664 0.164 1.00 0.00 C ATOM 0 H PHE A 18 -6.219 -15.700 3.879 1.00 0.00 H new ATOM 0 HA PHE A 18 -4.486 -13.405 4.069 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.927 -15.175 2.126 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -6.207 -14.062 1.686 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -5.667 -11.752 0.981 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.601 -14.589 1.823 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -4.035 -10.333 -0.184 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.968 -13.169 0.662 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.684 -11.041 -0.350 1.00 0.00 H new ATOM 251 N ALA A 19 -7.741 -13.020 3.639 1.00 0.00 N ATOM 252 CA ALA A 19 -8.830 -12.056 3.740 1.00 0.00 C ATOM 253 C ALA A 19 -8.733 -11.250 5.031 1.00 0.00 C ATOM 254 O ALA A 19 -8.999 -10.049 5.045 1.00 0.00 O ATOM 255 CB ALA A 19 -10.173 -12.767 3.658 1.00 0.00 C ATOM 0 H ALA A 19 -8.040 -13.975 3.440 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.747 -11.362 2.903 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -10.977 -12.035 3.735 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -10.249 -13.292 2.706 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -10.256 -13.484 4.475 1.00 0.00 H new ATOM 261 N ALA A 20 -8.350 -11.920 6.113 1.00 0.00 N ATOM 262 CA ALA A 20 -8.217 -11.265 7.408 1.00 0.00 C ATOM 263 C ALA A 20 -7.237 -10.099 7.336 1.00 0.00 C ATOM 264 O ALA A 20 -7.416 -9.081 8.005 1.00 0.00 O ATOM 265 CB ALA A 20 -7.771 -12.268 8.463 1.00 0.00 C ATOM 0 H ALA A 20 -8.127 -12.915 6.118 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.193 -10.868 7.689 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.676 -11.765 9.426 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.510 -13.066 8.542 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.808 -12.692 8.178 1.00 0.00 H new ATOM 271 N LYS A 21 -6.198 -10.256 6.522 1.00 0.00 N ATOM 272 CA LYS A 21 -5.188 -9.215 6.361 1.00 0.00 C ATOM 273 C LYS A 21 -5.704 -8.089 5.471 1.00 0.00 C ATOM 274 O LYS A 21 -5.568 -6.913 5.802 1.00 0.00 O ATOM 275 CB LYS A 21 -3.909 -9.807 5.765 1.00 0.00 C ATOM 276 CG LYS A 21 -3.223 -10.812 6.673 1.00 0.00 C ATOM 277 CD LYS A 21 -1.957 -10.238 7.286 1.00 0.00 C ATOM 278 CE LYS A 21 -2.274 -9.201 8.353 1.00 0.00 C ATOM 279 NZ LYS A 21 -1.657 -9.546 9.662 1.00 0.00 N ATOM 0 H LYS A 21 -6.033 -11.094 5.964 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.966 -8.802 7.345 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.149 -10.291 4.818 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.214 -8.998 5.542 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -3.908 -11.114 7.466 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.978 -11.709 6.105 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.366 -11.043 7.724 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.347 -9.783 6.505 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.915 -8.224 8.028 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.355 -9.120 8.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.598 -8.693 10.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.240 -10.261 10.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.702 -9.926 9.506 1.00 0.00 H new ATOM 289 N ALA A 22 -6.297 -8.459 4.341 1.00 0.00 N ATOM 290 CA ALA A 22 -6.836 -7.480 3.406 1.00 0.00 C ATOM 291 C ALA A 22 -7.842 -6.562 4.091 1.00 0.00 C ATOM 292 O ALA A 22 -7.788 -5.342 3.938 1.00 0.00 O ATOM 293 CB ALA A 22 -7.481 -8.182 2.220 1.00 0.00 C ATOM 0 H ALA A 22 -6.416 -9.430 4.051 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.011 -6.866 3.046 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.879 -7.438 1.530 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.735 -8.790 1.708 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.291 -8.821 2.572 1.00 0.00 H new ATOM 299 N GLY A 23 -8.760 -7.156 4.846 1.00 0.00 N ATOM 300 CA GLY A 23 -9.766 -6.376 5.543 1.00 0.00 C ATOM 301 C GLY A 23 -9.161 -5.272 6.388 1.00 0.00 C ATOM 302 O GLY A 23 -9.802 -4.250 6.638 1.00 0.00 O ATOM 0 H GLY A 23 -8.825 -8.164 4.988 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.451 -5.939 4.816 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.356 -7.035 6.180 1.00 0.00 H new ATOM 306 N LEU A 24 -7.925 -5.477 6.829 1.00 0.00 N ATOM 307 CA LEU A 24 -7.234 -4.491 7.652 1.00 0.00 C ATOM 308 C LEU A 24 -6.612 -3.399 6.788 1.00 0.00 C ATOM 309 O LEU A 24 -6.481 -2.253 7.216 1.00 0.00 O ATOM 310 CB LEU A 24 -6.152 -5.169 8.495 1.00 0.00 C ATOM 311 CG LEU A 24 -6.281 -5.008 10.009 1.00 0.00 C ATOM 312 CD1 LEU A 24 -6.196 -6.361 10.699 1.00 0.00 C ATOM 313 CD2 LEU A 24 -5.207 -4.070 10.539 1.00 0.00 C ATOM 0 H LEU A 24 -7.381 -6.317 6.631 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.967 -4.030 8.315 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.152 -6.234 8.262 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.182 -4.776 8.189 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.256 -4.572 10.227 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.290 -6.226 11.777 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.001 -7.003 10.342 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.236 -6.825 10.474 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.314 -3.967 11.619 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.222 -4.477 10.309 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.314 -3.092 10.069 1.00 0.00 H new ATOM 324 N MET A 25 -6.233 -3.763 5.567 1.00 0.00 N ATOM 325 CA MET A 25 -5.628 -2.813 4.641 1.00 0.00 C ATOM 326 C MET A 25 -6.591 -1.675 4.322 1.00 0.00 C ATOM 327 O MET A 25 -6.288 -0.507 4.562 1.00 0.00 O ATOM 328 CB MET A 25 -5.212 -3.522 3.350 1.00 0.00 C ATOM 329 CG MET A 25 -4.569 -2.596 2.329 1.00 0.00 C ATOM 330 SD MET A 25 -2.780 -2.796 2.240 1.00 0.00 S ATOM 331 CE MET A 25 -2.323 -2.528 3.950 1.00 0.00 C ATOM 0 H MET A 25 -6.334 -4.708 5.196 1.00 0.00 H new ATOM 0 HA MET A 25 -4.743 -2.392 5.118 1.00 0.00 H new ATOM 0 HB2 MET A 25 -4.513 -4.322 3.593 1.00 0.00 H new ATOM 0 HB3 MET A 25 -6.089 -3.990 2.903 1.00 0.00 H new ATOM 0 HG2 MET A 25 -5.001 -2.788 1.347 1.00 0.00 H new ATOM 0 HG3 MET A 25 -4.803 -1.562 2.584 1.00 0.00 H new ATOM 0 HE1 MET A 25 -1.255 -2.706 4.073 1.00 0.00 H new ATOM 0 HE2 MET A 25 -2.554 -1.501 4.232 1.00 0.00 H new ATOM 0 HE3 MET A 25 -2.881 -3.213 4.588 1.00 0.00 H new ATOM 339 N ARG A 26 -7.753 -2.024 3.780 1.00 0.00 N ATOM 340 CA ARG A 26 -8.761 -1.031 3.427 1.00 0.00 C ATOM 341 C ARG A 26 -9.171 -0.215 4.649 1.00 0.00 C ATOM 342 O ARG A 26 -9.649 0.913 4.523 1.00 0.00 O ATOM 343 CB ARG A 26 -9.989 -1.713 2.819 1.00 0.00 C ATOM 344 CG ARG A 26 -9.778 -2.184 1.390 1.00 0.00 C ATOM 345 CD ARG A 26 -9.846 -3.700 1.289 1.00 0.00 C ATOM 346 NE ARG A 26 -10.216 -4.143 -0.053 1.00 0.00 N ATOM 347 CZ ARG A 26 -11.430 -3.985 -0.570 1.00 0.00 C ATOM 348 NH1 ARG A 26 -12.385 -3.399 0.139 1.00 0.00 N ATOM 349 NH2 ARG A 26 -11.690 -4.415 -1.798 1.00 0.00 N ATOM 0 H ARG A 26 -8.020 -2.987 3.576 1.00 0.00 H new ATOM 0 HA ARG A 26 -8.327 -0.356 2.690 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -10.263 -2.568 3.438 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -10.829 -1.019 2.844 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -10.535 -1.741 0.744 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -8.809 -1.837 1.030 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -8.879 -4.125 1.557 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -10.571 -4.079 2.009 1.00 0.00 H new ATOM 0 HE ARG A 26 -9.504 -4.598 -0.624 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -12.189 -3.068 1.084 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -13.316 -3.279 -0.260 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -10.958 -4.867 -2.346 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -12.622 -4.293 -2.194 1.00 0.00 H new ATOM 360 N HIS A 27 -8.982 -0.793 5.831 1.00 0.00 N ATOM 361 CA HIS A 27 -9.332 -0.119 7.076 1.00 0.00 C ATOM 362 C HIS A 27 -8.344 1.002 7.385 1.00 0.00 C ATOM 363 O HIS A 27 -8.739 2.130 7.678 1.00 0.00 O ATOM 364 CB HIS A 27 -9.362 -1.121 8.232 1.00 0.00 C ATOM 365 CG HIS A 27 -9.671 -0.497 9.557 1.00 0.00 C ATOM 366 ND1 HIS A 27 -10.540 0.564 9.705 1.00 0.00 N ATOM 367 CD2 HIS A 27 -9.224 -0.791 10.801 1.00 0.00 C ATOM 368 CE1 HIS A 27 -10.612 0.896 10.982 1.00 0.00 C ATOM 369 NE2 HIS A 27 -9.823 0.089 11.667 1.00 0.00 N ATOM 0 H HIS A 27 -8.589 -1.726 5.953 1.00 0.00 H new ATOM 0 HA HIS A 27 -10.324 0.318 6.957 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -10.107 -1.888 8.018 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -8.396 -1.623 8.292 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -8.526 -1.572 11.063 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -11.214 1.692 11.395 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -9.682 0.115 12.677 1.00 0.00 H new ATOM 376 N THR A 28 -7.055 0.682 7.317 1.00 0.00 N ATOM 377 CA THR A 28 -6.010 1.661 7.590 1.00 0.00 C ATOM 378 C THR A 28 -6.163 2.892 6.703 1.00 0.00 C ATOM 379 O THR A 28 -6.183 4.022 7.191 1.00 0.00 O ATOM 380 CB THR A 28 -4.608 1.061 7.377 1.00 0.00 C ATOM 381 OG1 THR A 28 -4.441 -0.097 8.203 1.00 0.00 O ATOM 382 CG2 THR A 28 -3.527 2.081 7.702 1.00 0.00 C ATOM 0 H THR A 28 -6.710 -0.247 7.075 1.00 0.00 H new ATOM 0 HA THR A 28 -6.117 1.953 8.635 1.00 0.00 H new ATOM 0 HB THR A 28 -4.514 0.777 6.329 1.00 0.00 H new ATOM 0 HG1 THR A 28 -5.058 -0.800 7.910 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.546 1.634 7.544 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.639 2.949 7.053 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.621 2.392 8.743 1.00 0.00 H new ATOM 390 N ILE A 29 -6.273 2.665 5.399 1.00 0.00 N ATOM 391 CA ILE A 29 -6.427 3.755 4.444 1.00 0.00 C ATOM 392 C ILE A 29 -7.751 4.483 4.649 1.00 0.00 C ATOM 393 O ILE A 29 -7.795 5.712 4.697 1.00 0.00 O ATOM 394 CB ILE A 29 -6.354 3.247 2.992 1.00 0.00 C ATOM 395 CG1 ILE A 29 -4.921 2.839 2.643 1.00 0.00 C ATOM 396 CG2 ILE A 29 -6.855 4.314 2.031 1.00 0.00 C ATOM 397 CD1 ILE A 29 -4.528 1.483 3.186 1.00 0.00 C ATOM 0 H ILE A 29 -6.258 1.735 4.979 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.603 4.447 4.620 1.00 0.00 H new ATOM 0 HB ILE A 29 -6.995 2.371 2.897 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.807 2.834 1.559 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.233 3.590 3.032 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -6.797 3.939 1.009 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -7.890 4.561 2.269 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.238 5.208 2.126 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -3.500 1.260 2.900 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.609 1.489 4.273 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.192 0.721 2.777 1.00 0.00 H new ATOM 408 N GLY A 30 -8.830 3.716 4.773 1.00 0.00 N ATOM 409 CA GLY A 30 -10.140 4.305 4.974 1.00 0.00 C ATOM 410 C GLY A 30 -10.192 5.200 6.196 1.00 0.00 C ATOM 411 O GLY A 30 -10.721 6.309 6.138 1.00 0.00 O ATOM 0 H GLY A 30 -8.820 2.697 4.738 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.414 4.884 4.092 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -10.880 3.511 5.077 1.00 0.00 H new ATOM 415 N GLN A 31 -9.645 4.715 7.305 1.00 0.00 N ATOM 416 CA GLN A 31 -9.634 5.478 8.548 1.00 0.00 C ATOM 417 C GLN A 31 -8.633 6.626 8.472 1.00 0.00 C ATOM 418 O GLN A 31 -8.978 7.780 8.727 1.00 0.00 O ATOM 419 CB GLN A 31 -9.294 4.566 9.729 1.00 0.00 C ATOM 420 CG GLN A 31 -10.516 4.054 10.473 1.00 0.00 C ATOM 421 CD GLN A 31 -11.380 5.175 11.017 1.00 0.00 C ATOM 422 OE1 GLN A 31 -10.895 6.062 11.720 1.00 0.00 O ATOM 423 NE2 GLN A 31 -12.668 5.139 10.695 1.00 0.00 N ATOM 0 H GLN A 31 -9.204 3.798 7.369 1.00 0.00 H new ATOM 0 HA GLN A 31 -10.629 5.897 8.697 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.717 3.715 9.366 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.656 5.110 10.426 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -11.111 3.434 9.803 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.195 3.416 11.296 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -13.026 4.385 10.110 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -13.299 5.866 11.033 1.00 0.00 H new ATOM 430 N ALA A 32 -7.393 6.302 8.121 1.00 0.00 N ATOM 431 CA ALA A 32 -6.343 7.307 8.010 1.00 0.00 C ATOM 432 C ALA A 32 -6.744 8.417 7.045 1.00 0.00 C ATOM 433 O ALA A 32 -6.293 9.555 7.171 1.00 0.00 O ATOM 434 CB ALA A 32 -5.040 6.662 7.563 1.00 0.00 C ATOM 0 H ALA A 32 -7.091 5.351 7.909 1.00 0.00 H new ATOM 0 HA ALA A 32 -6.196 7.753 8.994 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.265 7.424 7.484 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.737 5.910 8.292 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.183 6.188 6.592 1.00 0.00 H new ATOM 440 N GLU A 33 -7.595 8.078 6.081 1.00 0.00 N ATOM 441 CA GLU A 33 -8.055 9.045 5.093 1.00 0.00 C ATOM 442 C GLU A 33 -8.985 10.074 5.730 1.00 0.00 C ATOM 443 O GLU A 33 -8.859 11.274 5.488 1.00 0.00 O ATOM 444 CB GLU A 33 -8.773 8.335 3.945 1.00 0.00 C ATOM 445 CG GLU A 33 -7.850 7.920 2.812 1.00 0.00 C ATOM 446 CD GLU A 33 -7.525 9.067 1.874 1.00 0.00 C ATOM 447 OE1 GLU A 33 -6.706 9.929 2.254 1.00 0.00 O ATOM 448 OE2 GLU A 33 -8.091 9.101 0.760 1.00 0.00 O ATOM 0 H GLU A 33 -7.979 7.140 5.964 1.00 0.00 H new ATOM 0 HA GLU A 33 -7.182 9.564 4.699 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -9.276 7.450 4.335 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.546 8.993 3.549 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -6.924 7.523 3.229 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.316 7.113 2.246 1.00 0.00 H new ATOM 658 N PHE A 51 -5.199 20.684 -0.122 1.00 0.00 N ATOM 659 CA PHE A 51 -5.597 19.411 0.468 1.00 0.00 C ATOM 660 C PHE A 51 -6.143 18.464 -0.596 1.00 0.00 C ATOM 661 O PHE A 51 -5.955 17.251 -0.517 1.00 0.00 O ATOM 662 CB PHE A 51 -6.651 19.637 1.555 1.00 0.00 C ATOM 663 CG PHE A 51 -7.252 18.364 2.080 1.00 0.00 C ATOM 664 CD1 PHE A 51 -8.358 17.799 1.467 1.00 0.00 C ATOM 665 CD2 PHE A 51 -6.709 17.732 3.187 1.00 0.00 C ATOM 666 CE1 PHE A 51 -8.913 16.629 1.949 1.00 0.00 C ATOM 667 CE2 PHE A 51 -7.259 16.561 3.674 1.00 0.00 C ATOM 668 CZ PHE A 51 -8.363 16.009 3.053 1.00 0.00 C ATOM 0 HA PHE A 51 -4.714 18.955 0.915 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -6.197 20.184 2.382 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -7.446 20.267 1.154 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -8.792 18.279 0.602 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -5.846 18.159 3.675 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -9.776 16.200 1.462 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -6.827 16.079 4.538 1.00 0.00 H new ATOM 0 HZ PHE A 51 -8.795 15.094 3.431 1.00 0.00 H new ATOM 677 N GLN A 52 -6.819 19.029 -1.591 1.00 0.00 N ATOM 678 CA GLN A 52 -7.393 18.235 -2.672 1.00 0.00 C ATOM 679 C GLN A 52 -6.301 17.678 -3.578 1.00 0.00 C ATOM 680 O GLN A 52 -6.232 16.471 -3.813 1.00 0.00 O ATOM 681 CB GLN A 52 -8.369 19.081 -3.492 1.00 0.00 C ATOM 682 CG GLN A 52 -9.021 18.321 -4.636 1.00 0.00 C ATOM 683 CD GLN A 52 -10.399 17.800 -4.279 1.00 0.00 C ATOM 684 OE1 GLN A 52 -11.306 18.572 -3.965 1.00 0.00 O ATOM 685 NE2 GLN A 52 -10.564 16.483 -4.325 1.00 0.00 N ATOM 0 H GLN A 52 -6.983 20.033 -1.671 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.932 17.399 -2.227 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -9.147 19.465 -2.832 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.839 19.944 -3.896 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.098 18.975 -5.505 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -8.383 17.485 -4.922 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -9.785 15.880 -4.590 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -11.470 16.074 -4.095 1.00 0.00 H new ATOM 692 N ALA A 53 -5.448 18.563 -4.082 1.00 0.00 N ATOM 693 CA ALA A 53 -4.358 18.158 -4.961 1.00 0.00 C ATOM 694 C ALA A 53 -3.546 17.025 -4.343 1.00 0.00 C ATOM 695 O ALA A 53 -3.135 16.095 -5.036 1.00 0.00 O ATOM 696 CB ALA A 53 -3.458 19.347 -5.266 1.00 0.00 C ATOM 0 H ALA A 53 -5.491 19.565 -3.897 1.00 0.00 H new ATOM 0 HA ALA A 53 -4.792 17.794 -5.892 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -2.648 19.031 -5.923 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.040 20.127 -5.756 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.041 19.735 -4.337 1.00 0.00 H new ATOM 702 N ALA A 54 -3.321 17.108 -3.036 1.00 0.00 N ATOM 703 CA ALA A 54 -2.561 16.088 -2.325 1.00 0.00 C ATOM 704 C ALA A 54 -3.408 14.844 -2.079 1.00 0.00 C ATOM 705 O ALA A 54 -2.899 13.722 -2.091 1.00 0.00 O ATOM 706 CB ALA A 54 -2.038 16.642 -1.008 1.00 0.00 C ATOM 0 H ALA A 54 -3.655 17.872 -2.448 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.714 15.801 -2.948 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.472 15.869 -0.487 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.390 17.496 -1.204 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.877 16.958 -0.387 1.00 0.00 H new ATOM 712 N HIS A 55 -4.701 15.049 -1.855 1.00 0.00 N ATOM 713 CA HIS A 55 -5.619 13.944 -1.605 1.00 0.00 C ATOM 714 C HIS A 55 -5.767 13.070 -2.848 1.00 0.00 C ATOM 715 O HIS A 55 -5.945 11.857 -2.748 1.00 0.00 O ATOM 716 CB HIS A 55 -6.987 14.475 -1.175 1.00 0.00 C ATOM 717 CG HIS A 55 -8.041 13.414 -1.087 1.00 0.00 C ATOM 718 ND1 HIS A 55 -8.474 12.883 0.110 1.00 0.00 N ATOM 719 CD2 HIS A 55 -8.749 12.787 -2.054 1.00 0.00 C ATOM 720 CE1 HIS A 55 -9.404 11.974 -0.127 1.00 0.00 C ATOM 721 NE2 HIS A 55 -9.588 11.897 -1.433 1.00 0.00 N ATOM 0 H HIS A 55 -5.137 15.971 -1.841 1.00 0.00 H new ATOM 0 HA HIS A 55 -5.206 13.336 -0.801 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -6.890 14.961 -0.204 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -7.310 15.239 -1.883 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -8.669 12.956 -3.118 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -9.925 11.393 0.620 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -10.247 11.276 -1.903 1.00 0.00 H new ATOM 728 N ALA A 56 -5.695 13.697 -4.018 1.00 0.00 N ATOM 729 CA ALA A 56 -5.820 12.976 -5.279 1.00 0.00 C ATOM 730 C ALA A 56 -4.599 12.099 -5.533 1.00 0.00 C ATOM 731 O ALA A 56 -4.700 11.048 -6.168 1.00 0.00 O ATOM 732 CB ALA A 56 -6.017 13.954 -6.428 1.00 0.00 C ATOM 0 H ALA A 56 -5.551 14.702 -4.119 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.694 12.327 -5.213 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.109 13.402 -7.364 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.923 14.536 -6.259 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.160 14.625 -6.485 1.00 0.00 H new ATOM 738 N ARG A 57 -3.447 12.535 -5.035 1.00 0.00 N ATOM 739 CA ARG A 57 -2.207 11.790 -5.210 1.00 0.00 C ATOM 740 C ARG A 57 -2.250 10.474 -4.439 1.00 0.00 C ATOM 741 O ARG A 57 -1.713 9.461 -4.888 1.00 0.00 O ATOM 742 CB ARG A 57 -1.014 12.627 -4.745 1.00 0.00 C ATOM 743 CG ARG A 57 -0.761 13.856 -5.602 1.00 0.00 C ATOM 744 CD ARG A 57 0.277 14.772 -4.971 1.00 0.00 C ATOM 745 NE ARG A 57 0.996 15.555 -5.972 1.00 0.00 N ATOM 746 CZ ARG A 57 2.103 16.240 -5.713 1.00 0.00 C ATOM 747 NH1 ARG A 57 2.618 16.237 -4.490 1.00 0.00 N ATOM 748 NH2 ARG A 57 2.701 16.929 -6.676 1.00 0.00 N ATOM 0 H ARG A 57 -3.347 13.402 -4.506 1.00 0.00 H new ATOM 0 HA ARG A 57 -2.094 11.566 -6.271 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -1.181 12.941 -3.715 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -0.120 12.003 -4.747 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.422 13.548 -6.591 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.694 14.403 -5.741 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -0.213 15.445 -4.268 1.00 0.00 H new ATOM 0 HD3 ARG A 57 0.987 14.175 -4.399 1.00 0.00 H new ATOM 0 HE ARG A 57 0.627 15.577 -6.923 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.163 15.707 -3.746 1.00 0.00 H new ATOM 0 HH12 ARG A 57 3.469 16.764 -4.294 1.00 0.00 H new ATOM 0 HH21 ARG A 57 2.310 16.933 -7.618 1.00 0.00 H new ATOM 0 HH22 ARG A 57 3.552 17.455 -6.474 1.00 0.00 H new ATOM 759 N PHE A 58 -2.892 10.497 -3.275 1.00 0.00 N ATOM 760 CA PHE A 58 -3.005 9.307 -2.441 1.00 0.00 C ATOM 761 C PHE A 58 -3.923 8.274 -3.087 1.00 0.00 C ATOM 762 O PHE A 58 -3.536 7.123 -3.290 1.00 0.00 O ATOM 763 CB PHE A 58 -3.533 9.677 -1.054 1.00 0.00 C ATOM 764 CG PHE A 58 -3.808 8.489 -0.178 1.00 0.00 C ATOM 765 CD1 PHE A 58 -2.767 7.788 0.408 1.00 0.00 C ATOM 766 CD2 PHE A 58 -5.108 8.071 0.058 1.00 0.00 C ATOM 767 CE1 PHE A 58 -3.016 6.693 1.215 1.00 0.00 C ATOM 768 CE2 PHE A 58 -5.364 6.978 0.862 1.00 0.00 C ATOM 769 CZ PHE A 58 -4.317 6.288 1.441 1.00 0.00 C ATOM 0 H PHE A 58 -3.342 11.327 -2.889 1.00 0.00 H new ATOM 0 HA PHE A 58 -2.011 8.871 -2.339 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.808 10.323 -0.559 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.450 10.255 -1.166 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.748 8.100 0.232 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -5.931 8.607 -0.392 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -2.195 6.156 1.667 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -6.382 6.663 1.038 1.00 0.00 H new ATOM 0 HZ PHE A 58 -4.515 5.433 2.070 1.00 0.00 H new ATOM 778 N VAL A 59 -5.142 8.693 -3.408 1.00 0.00 N ATOM 779 CA VAL A 59 -6.117 7.806 -4.032 1.00 0.00 C ATOM 780 C VAL A 59 -5.551 7.171 -5.297 1.00 0.00 C ATOM 781 O VAL A 59 -5.849 6.019 -5.611 1.00 0.00 O ATOM 782 CB VAL A 59 -7.415 8.557 -4.384 1.00 0.00 C ATOM 783 CG1 VAL A 59 -7.102 9.836 -5.146 1.00 0.00 C ATOM 784 CG2 VAL A 59 -8.347 7.663 -5.188 1.00 0.00 C ATOM 0 H VAL A 59 -5.479 9.642 -3.246 1.00 0.00 H new ATOM 0 HA VAL A 59 -6.344 7.025 -3.307 1.00 0.00 H new ATOM 0 HB VAL A 59 -7.920 8.829 -3.457 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -8.031 10.353 -5.386 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.476 10.482 -4.531 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.575 9.591 -6.068 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.259 8.210 -5.428 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -7.853 7.359 -6.111 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -8.598 6.779 -4.602 1.00 0.00 H new ATOM 794 N ALA A 60 -4.733 7.930 -6.018 1.00 0.00 N ATOM 795 CA ALA A 60 -4.122 7.440 -7.248 1.00 0.00 C ATOM 796 C ALA A 60 -3.337 6.157 -6.998 1.00 0.00 C ATOM 797 O ALA A 60 -3.451 5.191 -7.752 1.00 0.00 O ATOM 798 CB ALA A 60 -3.219 8.506 -7.849 1.00 0.00 C ATOM 0 H ALA A 60 -4.478 8.886 -5.772 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.919 7.214 -7.956 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.769 8.127 -8.767 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.807 9.396 -8.074 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.433 8.760 -7.138 1.00 0.00 H new ATOM 804 N ALA A 61 -2.540 6.154 -5.935 1.00 0.00 N ATOM 805 CA ALA A 61 -1.737 4.990 -5.585 1.00 0.00 C ATOM 806 C ALA A 61 -2.580 3.934 -4.877 1.00 0.00 C ATOM 807 O ALA A 61 -2.390 2.735 -5.081 1.00 0.00 O ATOM 808 CB ALA A 61 -0.562 5.402 -4.712 1.00 0.00 C ATOM 0 H ALA A 61 -2.433 6.946 -5.301 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.354 4.553 -6.507 1.00 0.00 H new ATOM 0 HB1 ALA A 61 0.029 4.522 -4.458 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.061 6.114 -5.253 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.933 5.866 -3.798 1.00 0.00 H new ATOM 814 N ALA A 62 -3.510 4.388 -4.044 1.00 0.00 N ATOM 815 CA ALA A 62 -4.383 3.483 -3.307 1.00 0.00 C ATOM 816 C ALA A 62 -5.040 2.472 -4.240 1.00 0.00 C ATOM 817 O ALA A 62 -5.316 1.339 -3.848 1.00 0.00 O ATOM 818 CB ALA A 62 -5.441 4.269 -2.548 1.00 0.00 C ATOM 0 H ALA A 62 -3.678 5.377 -3.863 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.772 2.934 -2.591 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.085 3.579 -2.003 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.956 4.946 -1.845 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.041 4.846 -3.252 1.00 0.00 H new ATOM 824 N ALA A 63 -5.289 2.891 -5.476 1.00 0.00 N ATOM 825 CA ALA A 63 -5.913 2.021 -6.466 1.00 0.00 C ATOM 826 C ALA A 63 -5.080 0.765 -6.697 1.00 0.00 C ATOM 827 O ALA A 63 -5.618 -0.336 -6.822 1.00 0.00 O ATOM 828 CB ALA A 63 -6.115 2.771 -7.774 1.00 0.00 C ATOM 0 H ALA A 63 -5.068 3.827 -5.816 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.886 1.714 -6.082 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -6.582 2.110 -8.504 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.758 3.634 -7.603 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.150 3.107 -8.153 1.00 0.00 H new ATOM 834 N LYS A 64 -3.764 0.936 -6.754 1.00 0.00 N ATOM 835 CA LYS A 64 -2.854 -0.183 -6.969 1.00 0.00 C ATOM 836 C LYS A 64 -3.089 -1.281 -5.937 1.00 0.00 C ATOM 837 O LYS A 64 -3.283 -2.445 -6.287 1.00 0.00 O ATOM 838 CB LYS A 64 -1.402 0.293 -6.903 1.00 0.00 C ATOM 839 CG LYS A 64 -0.522 -0.283 -7.998 1.00 0.00 C ATOM 840 CD LYS A 64 -0.433 -1.798 -7.905 1.00 0.00 C ATOM 841 CE LYS A 64 0.359 -2.383 -9.063 1.00 0.00 C ATOM 842 NZ LYS A 64 1.678 -1.711 -9.229 1.00 0.00 N ATOM 0 H LYS A 64 -3.303 1.840 -6.654 1.00 0.00 H new ATOM 0 HA LYS A 64 -3.050 -0.593 -7.960 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -1.382 1.381 -6.967 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -0.984 0.023 -5.933 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.921 -0.000 -8.972 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.477 0.146 -7.926 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.038 -2.078 -6.963 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -1.437 -2.223 -7.899 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.513 -3.449 -8.896 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.217 -2.285 -9.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 2.222 -2.193 -9.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 1.530 -0.717 -9.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.204 -1.753 -8.333 1.00 0.00 H new ATOM 852 N VAL A 65 -3.072 -0.903 -4.663 1.00 0.00 N ATOM 853 CA VAL A 65 -3.285 -1.854 -3.579 1.00 0.00 C ATOM 854 C VAL A 65 -4.681 -2.463 -3.649 1.00 0.00 C ATOM 855 O VAL A 65 -4.838 -3.683 -3.644 1.00 0.00 O ATOM 856 CB VAL A 65 -3.095 -1.189 -2.202 1.00 0.00 C ATOM 857 CG1 VAL A 65 -3.055 -2.240 -1.104 1.00 0.00 C ATOM 858 CG2 VAL A 65 -1.831 -0.344 -2.189 1.00 0.00 C ATOM 0 H VAL A 65 -2.913 0.057 -4.356 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.541 -2.642 -3.699 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.945 -0.533 -2.013 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -2.920 -1.753 -0.138 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.991 -2.799 -1.101 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.225 -2.923 -1.284 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -1.712 0.118 -1.209 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.968 -0.976 -2.399 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -1.905 0.433 -2.950 1.00 0.00 H new ATOM 868 N ASN A 66 -5.693 -1.604 -3.717 1.00 0.00 N ATOM 869 CA ASN A 66 -7.077 -2.056 -3.788 1.00 0.00 C ATOM 870 C ASN A 66 -7.257 -3.081 -4.905 1.00 0.00 C ATOM 871 O ASN A 66 -8.087 -3.984 -4.807 1.00 0.00 O ATOM 872 CB ASN A 66 -8.013 -0.868 -4.014 1.00 0.00 C ATOM 873 CG ASN A 66 -9.286 -1.264 -4.738 1.00 0.00 C ATOM 874 OD1 ASN A 66 -10.295 -1.588 -4.109 1.00 0.00 O ATOM 875 ND2 ASN A 66 -9.244 -1.240 -6.065 1.00 0.00 N ATOM 0 H ASN A 66 -5.580 -0.590 -3.724 1.00 0.00 H new ATOM 0 HA ASN A 66 -7.328 -2.531 -2.839 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -8.269 -0.422 -3.053 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -7.493 -0.104 -4.591 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -10.070 -1.497 -6.606 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -8.386 -0.965 -6.543 1.00 0.00 H new ATOM 881 N THR A 67 -6.473 -2.932 -5.968 1.00 0.00 N ATOM 882 CA THR A 67 -6.546 -3.843 -7.104 1.00 0.00 C ATOM 883 C THR A 67 -5.693 -5.084 -6.869 1.00 0.00 C ATOM 884 O THR A 67 -5.978 -6.156 -7.405 1.00 0.00 O ATOM 885 CB THR A 67 -6.086 -3.156 -8.405 1.00 0.00 C ATOM 886 OG1 THR A 67 -6.988 -2.097 -8.744 1.00 0.00 O ATOM 887 CG2 THR A 67 -6.017 -4.156 -9.549 1.00 0.00 C ATOM 0 H THR A 67 -5.780 -2.190 -6.066 1.00 0.00 H new ATOM 0 HA THR A 67 -7.590 -4.138 -7.207 1.00 0.00 H new ATOM 0 HB THR A 67 -5.089 -2.746 -8.241 1.00 0.00 H new ATOM 0 HG1 THR A 67 -6.768 -1.300 -8.218 1.00 0.00 H new ATOM 0 HG21 THR A 67 -5.690 -3.649 -10.457 1.00 0.00 H new ATOM 0 HG22 THR A 67 -5.308 -4.946 -9.300 1.00 0.00 H new ATOM 0 HG23 THR A 67 -7.003 -4.591 -9.712 1.00 0.00 H new ATOM 895 N LEU A 68 -4.646 -4.933 -6.066 1.00 0.00 N ATOM 896 CA LEU A 68 -3.750 -6.043 -5.760 1.00 0.00 C ATOM 897 C LEU A 68 -4.412 -7.028 -4.802 1.00 0.00 C ATOM 898 O LEU A 68 -4.225 -8.241 -4.913 1.00 0.00 O ATOM 899 CB LEU A 68 -2.448 -5.521 -5.151 1.00 0.00 C ATOM 900 CG LEU A 68 -1.451 -4.898 -6.131 1.00 0.00 C ATOM 901 CD1 LEU A 68 -0.431 -4.050 -5.387 1.00 0.00 C ATOM 902 CD2 LEU A 68 -0.757 -5.980 -6.945 1.00 0.00 C ATOM 0 H LEU A 68 -4.396 -4.053 -5.615 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.526 -6.563 -6.691 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.697 -4.777 -4.395 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.954 -6.346 -4.637 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.999 -4.252 -6.816 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.270 -3.615 -6.100 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.944 -3.252 -4.849 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.113 -4.674 -4.678 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.052 -5.519 -7.637 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.221 -6.652 -6.275 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.500 -6.545 -7.508 1.00 0.00 H new ATOM 913 N LEU A 69 -5.189 -6.501 -3.862 1.00 0.00 N ATOM 914 CA LEU A 69 -5.882 -7.334 -2.886 1.00 0.00 C ATOM 915 C LEU A 69 -6.744 -8.384 -3.579 1.00 0.00 C ATOM 916 O LEU A 69 -6.607 -9.580 -3.324 1.00 0.00 O ATOM 917 CB LEU A 69 -6.751 -6.467 -1.972 1.00 0.00 C ATOM 918 CG LEU A 69 -6.076 -5.941 -0.705 1.00 0.00 C ATOM 919 CD1 LEU A 69 -5.412 -7.077 0.057 1.00 0.00 C ATOM 920 CD2 LEU A 69 -5.059 -4.863 -1.051 1.00 0.00 C ATOM 0 H LEU A 69 -5.355 -5.500 -3.755 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.131 -7.847 -2.285 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.111 -5.615 -2.548 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.626 -7.047 -1.679 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.841 -5.500 -0.066 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.937 -6.684 0.956 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.163 -7.815 0.337 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.659 -7.548 -0.575 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.588 -4.500 -0.137 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.298 -5.279 -1.711 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.562 -4.036 -1.553 1.00 0.00 H new ATOM 931 N ASP A 70 -7.630 -7.928 -4.458 1.00 0.00 N ATOM 932 CA ASP A 70 -8.512 -8.828 -5.191 1.00 0.00 C ATOM 933 C ASP A 70 -7.707 -9.878 -5.951 1.00 0.00 C ATOM 934 O ASP A 70 -8.058 -11.058 -5.958 1.00 0.00 O ATOM 935 CB ASP A 70 -9.389 -8.037 -6.164 1.00 0.00 C ATOM 936 CG ASP A 70 -10.742 -8.686 -6.383 1.00 0.00 C ATOM 937 OD1 ASP A 70 -10.871 -9.896 -6.102 1.00 0.00 O ATOM 938 OD2 ASP A 70 -11.670 -7.983 -6.834 1.00 0.00 O ATOM 0 H ASP A 70 -7.756 -6.940 -4.680 1.00 0.00 H new ATOM 0 HA ASP A 70 -9.151 -9.338 -4.470 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -9.532 -7.027 -5.781 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -8.874 -7.945 -7.120 1.00 0.00 H new ATOM 942 N VAL A 71 -6.627 -9.439 -6.591 1.00 0.00 N ATOM 943 CA VAL A 71 -5.772 -10.342 -7.354 1.00 0.00 C ATOM 944 C VAL A 71 -5.079 -11.346 -6.439 1.00 0.00 C ATOM 945 O VAL A 71 -4.831 -12.486 -6.829 1.00 0.00 O ATOM 946 CB VAL A 71 -4.706 -9.565 -8.149 1.00 0.00 C ATOM 947 CG1 VAL A 71 -3.844 -10.520 -8.960 1.00 0.00 C ATOM 948 CG2 VAL A 71 -5.363 -8.531 -9.050 1.00 0.00 C ATOM 0 H VAL A 71 -6.324 -8.465 -6.596 1.00 0.00 H new ATOM 0 HA VAL A 71 -6.417 -10.877 -8.052 1.00 0.00 H new ATOM 0 HB VAL A 71 -4.061 -9.041 -7.444 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.097 -9.953 -9.515 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.345 -11.219 -8.289 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -4.472 -11.073 -9.658 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -4.595 -7.991 -9.604 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.032 -9.031 -9.750 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -5.933 -7.828 -8.442 1.00 0.00 H new ATOM 958 N ALA A 72 -4.768 -10.912 -5.222 1.00 0.00 N ATOM 959 CA ALA A 72 -4.105 -11.775 -4.252 1.00 0.00 C ATOM 960 C ALA A 72 -5.020 -12.910 -3.811 1.00 0.00 C ATOM 961 O ALA A 72 -4.627 -14.077 -3.827 1.00 0.00 O ATOM 962 CB ALA A 72 -3.652 -10.962 -3.048 1.00 0.00 C ATOM 0 H ALA A 72 -4.964 -9.970 -4.885 1.00 0.00 H new ATOM 0 HA ALA A 72 -3.230 -12.215 -4.731 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.158 -11.618 -2.331 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.955 -10.189 -3.372 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.518 -10.496 -2.577 1.00 0.00 H new ATOM 968 N GLN A 73 -6.241 -12.563 -3.416 1.00 0.00 N ATOM 969 CA GLN A 73 -7.211 -13.555 -2.969 1.00 0.00 C ATOM 970 C GLN A 73 -7.726 -14.379 -4.143 1.00 0.00 C ATOM 971 O GLN A 73 -7.918 -15.590 -4.027 1.00 0.00 O ATOM 972 CB GLN A 73 -8.380 -12.871 -2.259 1.00 0.00 C ATOM 973 CG GLN A 73 -7.948 -11.869 -1.200 1.00 0.00 C ATOM 974 CD GLN A 73 -9.113 -11.089 -0.624 1.00 0.00 C ATOM 975 OE1 GLN A 73 -9.529 -10.072 -1.180 1.00 0.00 O ATOM 976 NE2 GLN A 73 -9.647 -11.562 0.496 1.00 0.00 N ATOM 0 H GLN A 73 -6.582 -11.602 -3.397 1.00 0.00 H new ATOM 0 HA GLN A 73 -6.712 -14.225 -2.269 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -8.996 -12.361 -3.000 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -9.006 -13.632 -1.793 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -7.435 -12.395 -0.395 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -7.230 -11.174 -1.635 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -9.270 -12.408 0.923 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -10.434 -11.079 0.930 1.00 0.00 H new ATOM 983 N ALA A 74 -7.948 -13.717 -5.273 1.00 0.00 N ATOM 984 CA ALA A 74 -8.439 -14.390 -6.470 1.00 0.00 C ATOM 985 C ALA A 74 -7.453 -15.450 -6.947 1.00 0.00 C ATOM 986 O ALA A 74 -7.821 -16.606 -7.152 1.00 0.00 O ATOM 987 CB ALA A 74 -8.704 -13.376 -7.574 1.00 0.00 C ATOM 0 H ALA A 74 -7.796 -12.715 -5.385 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.375 -14.890 -6.219 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.070 -13.892 -8.462 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.452 -12.658 -7.237 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.780 -12.851 -7.815 1.00 0.00 H new ATOM 993 N ASN A 75 -6.199 -15.049 -7.123 1.00 0.00 N ATOM 994 CA ASN A 75 -5.159 -15.965 -7.578 1.00 0.00 C ATOM 995 C ASN A 75 -4.946 -17.090 -6.569 1.00 0.00 C ATOM 996 O ASN A 75 -4.746 -18.246 -6.944 1.00 0.00 O ATOM 997 CB ASN A 75 -3.848 -15.211 -7.803 1.00 0.00 C ATOM 998 CG ASN A 75 -3.821 -14.480 -9.131 1.00 0.00 C ATOM 999 OD1 ASN A 75 -2.859 -14.587 -9.892 1.00 0.00 O ATOM 1000 ND2 ASN A 75 -4.881 -13.732 -9.415 1.00 0.00 N ATOM 0 H ASN A 75 -5.878 -14.095 -6.957 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.483 -16.404 -8.522 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -3.701 -14.495 -6.994 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -3.016 -15.914 -7.762 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -4.921 -13.216 -10.294 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -5.656 -13.673 -8.754 1.00 0.00 H new ATOM 1006 N LEU A 76 -4.991 -16.744 -5.288 1.00 0.00 N ATOM 1007 CA LEU A 76 -4.804 -17.724 -4.223 1.00 0.00 C ATOM 1008 C LEU A 76 -6.004 -18.660 -4.128 1.00 0.00 C ATOM 1009 O LEU A 76 -5.884 -19.795 -3.670 1.00 0.00 O ATOM 1010 CB LEU A 76 -4.585 -17.016 -2.884 1.00 0.00 C ATOM 1011 CG LEU A 76 -3.204 -16.397 -2.670 1.00 0.00 C ATOM 1012 CD1 LEU A 76 -3.144 -15.678 -1.331 1.00 0.00 C ATOM 1013 CD2 LEU A 76 -2.122 -17.465 -2.752 1.00 0.00 C ATOM 0 H LEU A 76 -5.155 -15.792 -4.961 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.922 -18.319 -4.460 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.333 -16.229 -2.785 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.768 -17.732 -2.083 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.027 -15.667 -3.460 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.154 -15.243 -1.195 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.894 -14.887 -1.309 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.342 -16.388 -0.528 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.145 -17.006 -2.597 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.295 -18.218 -1.983 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.150 -17.936 -3.734 1.00 0.00 H new ATOM 1024 N GLY A 77 -7.162 -18.175 -4.565 1.00 0.00 N ATOM 1025 CA GLY A 77 -8.367 -18.983 -4.522 1.00 0.00 C ATOM 1026 C GLY A 77 -8.922 -19.122 -3.118 1.00 0.00 C ATOM 1027 O GLY A 77 -9.929 -18.502 -2.778 1.00 0.00 O ATOM 0 H GLY A 77 -7.287 -17.238 -4.948 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.124 -18.535 -5.166 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -8.151 -19.973 -4.924 1.00 0.00 H new ATOM 1031 N GLU A 78 -8.264 -19.939 -2.302 1.00 0.00 N ATOM 1032 CA GLU A 78 -8.701 -20.159 -0.928 1.00 0.00 C ATOM 1033 C GLU A 78 -8.894 -18.833 -0.199 1.00 0.00 C ATOM 1034 O GLU A 78 -9.892 -18.632 0.492 1.00 0.00 O ATOM 1035 CB GLU A 78 -7.683 -21.021 -0.178 1.00 0.00 C ATOM 1036 CG GLU A 78 -8.174 -22.429 0.113 1.00 0.00 C ATOM 1037 CD GLU A 78 -7.046 -23.441 0.168 1.00 0.00 C ATOM 1038 OE1 GLU A 78 -6.686 -23.985 -0.898 1.00 0.00 O ATOM 1039 OE2 GLU A 78 -6.525 -23.690 1.275 1.00 0.00 O ATOM 0 H GLU A 78 -7.428 -20.459 -2.568 1.00 0.00 H new ATOM 0 HA GLU A 78 -9.658 -20.680 -0.958 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -6.766 -21.079 -0.765 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -7.429 -20.532 0.763 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -8.708 -22.434 1.063 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -8.887 -22.727 -0.655 1.00 0.00 H new ATOM 1044 N ALA A 79 -7.932 -17.930 -0.360 1.00 0.00 N ATOM 1045 CA ALA A 79 -7.996 -16.623 0.280 1.00 0.00 C ATOM 1046 C ALA A 79 -9.325 -15.932 -0.013 1.00 0.00 C ATOM 1047 O ALA A 79 -9.837 -15.177 0.811 1.00 0.00 O ATOM 1048 CB ALA A 79 -6.835 -15.752 -0.179 1.00 0.00 C ATOM 0 H ALA A 79 -7.099 -18.081 -0.929 1.00 0.00 H new ATOM 0 HA ALA A 79 -7.922 -16.770 1.357 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -6.896 -14.778 0.307 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.893 -16.232 0.086 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -6.884 -15.621 -1.260 1.00 0.00 H new ATOM 1533 N ALA B 620 3.130 10.963 10.650 1.00 0.00 N ATOM 1534 CA ALA B 620 4.010 9.855 10.300 1.00 0.00 C ATOM 1535 C ALA B 620 3.581 8.571 11.002 1.00 0.00 C ATOM 1536 O ALA B 620 3.752 7.475 10.470 1.00 0.00 O ATOM 1537 CB ALA B 620 5.451 10.194 10.650 1.00 0.00 C ATOM 0 HA ALA B 620 3.938 9.692 9.225 1.00 0.00 H new ATOM 0 HB1 ALA B 620 6.097 9.357 10.383 1.00 0.00 H new ATOM 0 HB2 ALA B 620 5.760 11.082 10.098 1.00 0.00 H new ATOM 0 HB3 ALA B 620 5.530 10.386 11.720 1.00 0.00 H new ATOM 1543 N GLY B 621 3.023 8.715 12.200 1.00 0.00 N ATOM 1544 CA GLY B 621 2.580 7.559 12.955 1.00 0.00 C ATOM 1545 C GLY B 621 1.623 6.684 12.169 1.00 0.00 C ATOM 1546 O GLY B 621 1.805 5.469 12.090 1.00 0.00 O ATOM 0 H GLY B 621 2.870 9.612 12.661 1.00 0.00 H new ATOM 0 HA2 GLY B 621 3.447 6.969 13.251 1.00 0.00 H new ATOM 0 HA3 GLY B 621 2.093 7.892 13.871 1.00 0.00 H new ATOM 1550 N TYR B 622 0.602 7.302 11.586 1.00 0.00 N ATOM 1551 CA TYR B 622 -0.388 6.571 10.804 1.00 0.00 C ATOM 1552 C TYR B 622 0.212 6.071 9.494 1.00 0.00 C ATOM 1553 O TYR B 622 0.048 4.908 9.127 1.00 0.00 O ATOM 1554 CB TYR B 622 -1.599 7.460 10.518 1.00 0.00 C ATOM 1555 CG TYR B 622 -2.617 7.477 11.636 1.00 0.00 C ATOM 1556 CD1 TYR B 622 -3.320 6.329 11.979 1.00 0.00 C ATOM 1557 CD2 TYR B 622 -2.876 8.641 12.348 1.00 0.00 C ATOM 1558 CE1 TYR B 622 -4.251 6.340 13.000 1.00 0.00 C ATOM 1559 CE2 TYR B 622 -3.804 8.661 13.371 1.00 0.00 C ATOM 1560 CZ TYR B 622 -4.489 7.508 13.692 1.00 0.00 C ATOM 1561 OH TYR B 622 -5.416 7.523 14.710 1.00 0.00 O ATOM 0 H TYR B 622 0.438 8.307 11.640 1.00 0.00 H new ATOM 0 HA TYR B 622 -0.709 5.708 11.387 1.00 0.00 H new ATOM 0 HB2 TYR B 622 -1.256 8.478 10.335 1.00 0.00 H new ATOM 0 HB3 TYR B 622 -2.082 7.117 9.603 1.00 0.00 H new ATOM 0 HD1 TYR B 622 -3.136 5.412 11.438 1.00 0.00 H new ATOM 0 HD2 TYR B 622 -2.343 9.546 12.098 1.00 0.00 H new ATOM 0 HE1 TYR B 622 -4.789 5.439 13.254 1.00 0.00 H new ATOM 0 HE2 TYR B 622 -3.992 9.574 13.916 1.00 0.00 H new ATOM 0 HH TYR B 622 -5.463 8.422 15.096 1.00 0.00 H new ATOM 1570 N ALA B 623 0.909 6.959 8.794 1.00 0.00 N ATOM 1571 CA ALA B 623 1.537 6.610 7.525 1.00 0.00 C ATOM 1572 C ALA B 623 2.407 5.366 7.669 1.00 0.00 C ATOM 1573 O ALA B 623 2.528 4.570 6.738 1.00 0.00 O ATOM 1574 CB ALA B 623 2.362 7.777 7.005 1.00 0.00 C ATOM 0 H ALA B 623 1.053 7.926 9.084 1.00 0.00 H new ATOM 0 HA ALA B 623 0.749 6.389 6.805 1.00 0.00 H new ATOM 0 HB1 ALA B 623 2.825 7.502 6.057 1.00 0.00 H new ATOM 0 HB2 ALA B 623 1.715 8.642 6.856 1.00 0.00 H new ATOM 0 HB3 ALA B 623 3.138 8.025 7.729 1.00 0.00 H new ATOM 1580 N GLY B 624 3.014 5.205 8.841 1.00 0.00 N ATOM 1581 CA GLY B 624 3.866 4.057 9.084 1.00 0.00 C ATOM 1582 C GLY B 624 3.088 2.756 9.131 1.00 0.00 C ATOM 1583 O GLY B 624 3.622 1.693 8.815 1.00 0.00 O ATOM 0 H GLY B 624 2.930 5.850 9.627 1.00 0.00 H new ATOM 0 HA2 GLY B 624 4.621 3.997 8.300 1.00 0.00 H new ATOM 0 HA3 GLY B 624 4.395 4.194 10.027 1.00 0.00 H new ATOM 1587 N THR B 625 1.822 2.840 9.527 1.00 0.00 N ATOM 1588 CA THR B 625 0.970 1.662 9.618 1.00 0.00 C ATOM 1589 C THR B 625 0.698 1.073 8.238 1.00 0.00 C ATOM 1590 O THR B 625 0.489 -0.133 8.096 1.00 0.00 O ATOM 1591 CB THR B 625 -0.373 1.990 10.296 1.00 0.00 C ATOM 1592 OG1 THR B 625 -0.147 2.458 11.630 1.00 0.00 O ATOM 1593 CG2 THR B 625 -1.276 0.766 10.329 1.00 0.00 C ATOM 0 H THR B 625 1.364 3.713 9.790 1.00 0.00 H new ATOM 0 HA THR B 625 1.505 0.931 10.224 1.00 0.00 H new ATOM 0 HB THR B 625 -0.866 2.770 9.716 1.00 0.00 H new ATOM 0 HG1 THR B 625 -1.006 2.666 12.054 1.00 0.00 H new ATOM 0 HG21 THR B 625 -2.219 1.022 10.813 1.00 0.00 H new ATOM 0 HG22 THR B 625 -1.470 0.430 9.311 1.00 0.00 H new ATOM 0 HG23 THR B 625 -0.787 -0.032 10.888 1.00 0.00 H new ATOM 1601 N LEU B 626 0.705 1.929 7.222 1.00 0.00 N ATOM 1602 CA LEU B 626 0.460 1.493 5.851 1.00 0.00 C ATOM 1603 C LEU B 626 1.498 0.465 5.414 1.00 0.00 C ATOM 1604 O LEU B 626 1.154 -0.648 5.016 1.00 0.00 O ATOM 1605 CB LEU B 626 0.480 2.693 4.903 1.00 0.00 C ATOM 1606 CG LEU B 626 -0.760 3.586 4.923 1.00 0.00 C ATOM 1607 CD1 LEU B 626 -2.013 2.765 4.657 1.00 0.00 C ATOM 1608 CD2 LEU B 626 -0.871 4.315 6.253 1.00 0.00 C ATOM 0 H LEU B 626 0.878 2.929 7.321 1.00 0.00 H new ATOM 0 HA LEU B 626 -0.524 1.026 5.813 1.00 0.00 H new ATOM 0 HB2 LEU B 626 1.348 3.306 5.144 1.00 0.00 H new ATOM 0 HB3 LEU B 626 0.622 2.325 3.887 1.00 0.00 H new ATOM 0 HG LEU B 626 -0.662 4.329 4.132 1.00 0.00 H new ATOM 0 HD11 LEU B 626 -2.886 3.417 4.675 1.00 0.00 H new ATOM 0 HD12 LEU B 626 -1.936 2.289 3.679 1.00 0.00 H new ATOM 0 HD13 LEU B 626 -2.116 1.999 5.426 1.00 0.00 H new ATOM 0 HD21 LEU B 626 -1.760 4.946 6.249 1.00 0.00 H new ATOM 0 HD22 LEU B 626 -0.946 3.588 7.061 1.00 0.00 H new ATOM 0 HD23 LEU B 626 0.013 4.934 6.403 1.00 0.00 H new ATOM 1619 N GLN B 627 2.770 0.846 5.491 1.00 0.00 N ATOM 1620 CA GLN B 627 3.858 -0.044 5.103 1.00 0.00 C ATOM 1621 C GLN B 627 3.974 -1.215 6.073 1.00 0.00 C ATOM 1622 O GLN B 627 4.185 -2.356 5.660 1.00 0.00 O ATOM 1623 CB GLN B 627 5.179 0.725 5.054 1.00 0.00 C ATOM 1624 CG GLN B 627 5.542 1.400 6.367 1.00 0.00 C ATOM 1625 CD GLN B 627 6.791 2.251 6.261 1.00 0.00 C ATOM 1626 OE1 GLN B 627 7.906 1.762 6.442 1.00 0.00 O ATOM 1627 NE2 GLN B 627 6.612 3.533 5.965 1.00 0.00 N ATOM 0 H GLN B 627 3.072 1.764 5.818 1.00 0.00 H new ATOM 0 HA GLN B 627 3.637 -0.438 4.111 1.00 0.00 H new ATOM 0 HB2 GLN B 627 5.979 0.039 4.775 1.00 0.00 H new ATOM 0 HB3 GLN B 627 5.120 1.481 4.271 1.00 0.00 H new ATOM 0 HG2 GLN B 627 4.709 2.023 6.693 1.00 0.00 H new ATOM 0 HG3 GLN B 627 5.690 0.639 7.133 1.00 0.00 H new ATOM 0 HE21 GLN B 627 5.670 3.897 5.823 1.00 0.00 H new ATOM 0 HE22 GLN B 627 7.417 4.154 5.880 1.00 0.00 H new ATOM 1634 N SER B 628 3.834 -0.927 7.363 1.00 0.00 N ATOM 1635 CA SER B 628 3.928 -1.957 8.390 1.00 0.00 C ATOM 1636 C SER B 628 2.873 -3.037 8.175 1.00 0.00 C ATOM 1637 O SER B 628 3.170 -4.232 8.236 1.00 0.00 O ATOM 1638 CB SER B 628 3.762 -1.336 9.779 1.00 0.00 C ATOM 1639 OG SER B 628 4.910 -0.590 10.145 1.00 0.00 O ATOM 0 H SER B 628 3.655 0.011 7.721 1.00 0.00 H new ATOM 0 HA SER B 628 4.913 -2.418 8.319 1.00 0.00 H new ATOM 0 HB2 SER B 628 2.885 -0.688 9.789 1.00 0.00 H new ATOM 0 HB3 SER B 628 3.586 -2.122 10.513 1.00 0.00 H new ATOM 0 HG SER B 628 4.825 0.327 9.810 1.00 0.00 H new ATOM 1644 N LEU B 629 1.641 -2.610 7.922 1.00 0.00 N ATOM 1645 CA LEU B 629 0.540 -3.540 7.696 1.00 0.00 C ATOM 1646 C LEU B 629 0.645 -4.185 6.318 1.00 0.00 C ATOM 1647 O LEU B 629 0.452 -5.391 6.168 1.00 0.00 O ATOM 1648 CB LEU B 629 -0.800 -2.817 7.834 1.00 0.00 C ATOM 1649 CG LEU B 629 -2.027 -3.574 7.322 1.00 0.00 C ATOM 1650 CD1 LEU B 629 -2.082 -4.971 7.924 1.00 0.00 C ATOM 1651 CD2 LEU B 629 -3.300 -2.805 7.641 1.00 0.00 C ATOM 0 H LEU B 629 1.379 -1.626 7.868 1.00 0.00 H new ATOM 0 HA LEU B 629 0.600 -4.326 8.449 1.00 0.00 H new ATOM 0 HB2 LEU B 629 -0.956 -2.581 8.887 1.00 0.00 H new ATOM 0 HB3 LEU B 629 -0.735 -1.868 7.301 1.00 0.00 H new ATOM 0 HG LEU B 629 -1.945 -3.669 6.239 1.00 0.00 H new ATOM 0 HD11 LEU B 629 -2.961 -5.495 7.549 1.00 0.00 H new ATOM 0 HD12 LEU B 629 -1.184 -5.523 7.645 1.00 0.00 H new ATOM 0 HD13 LEU B 629 -2.140 -4.897 9.010 1.00 0.00 H new ATOM 0 HD21 LEU B 629 -4.162 -3.359 7.269 1.00 0.00 H new ATOM 0 HD22 LEU B 629 -3.388 -2.678 8.720 1.00 0.00 H new ATOM 0 HD23 LEU B 629 -3.263 -1.826 7.162 1.00 0.00 H new ATOM 1662 N GLY B 630 0.955 -3.371 5.312 1.00 0.00 N ATOM 1663 CA GLY B 630 1.083 -3.880 3.958 1.00 0.00 C ATOM 1664 C GLY B 630 2.015 -5.071 3.873 1.00 0.00 C ATOM 1665 O GLY B 630 1.704 -6.067 3.219 1.00 0.00 O ATOM 0 H GLY B 630 1.120 -2.369 5.411 1.00 0.00 H new ATOM 0 HA2 GLY B 630 0.099 -4.165 3.586 1.00 0.00 H new ATOM 0 HA3 GLY B 630 1.452 -3.087 3.308 1.00 0.00 H new ATOM 1669 N ALA B 631 3.164 -4.971 4.534 1.00 0.00 N ATOM 1670 CA ALA B 631 4.146 -6.049 4.529 1.00 0.00 C ATOM 1671 C ALA B 631 3.517 -7.364 4.979 1.00 0.00 C ATOM 1672 O ALA B 631 3.839 -8.428 4.451 1.00 0.00 O ATOM 1673 CB ALA B 631 5.325 -5.693 5.421 1.00 0.00 C ATOM 0 H ALA B 631 3.438 -4.154 5.080 1.00 0.00 H new ATOM 0 HA ALA B 631 4.504 -6.178 3.508 1.00 0.00 H new ATOM 0 HB1 ALA B 631 6.050 -6.507 5.408 1.00 0.00 H new ATOM 0 HB2 ALA B 631 5.796 -4.781 5.054 1.00 0.00 H new ATOM 0 HB3 ALA B 631 4.975 -5.536 6.441 1.00 0.00 H new ATOM 1679 N GLU B 632 2.621 -7.283 5.957 1.00 0.00 N ATOM 1680 CA GLU B 632 1.949 -8.468 6.478 1.00 0.00 C ATOM 1681 C GLU B 632 1.249 -9.231 5.359 1.00 0.00 C ATOM 1682 O GLU B 632 1.197 -10.462 5.370 1.00 0.00 O ATOM 1683 CB GLU B 632 0.937 -8.076 7.556 1.00 0.00 C ATOM 1684 CG GLU B 632 1.545 -7.293 8.707 1.00 0.00 C ATOM 1685 CD GLU B 632 2.262 -8.183 9.704 1.00 0.00 C ATOM 1686 OE1 GLU B 632 1.912 -9.380 9.788 1.00 0.00 O ATOM 1687 OE2 GLU B 632 3.170 -7.685 10.401 1.00 0.00 O ATOM 0 H GLU B 632 2.343 -6.410 6.405 1.00 0.00 H new ATOM 0 HA GLU B 632 2.704 -9.118 6.920 1.00 0.00 H new ATOM 0 HB2 GLU B 632 0.146 -7.480 7.100 1.00 0.00 H new ATOM 0 HB3 GLU B 632 0.470 -8.979 7.949 1.00 0.00 H new ATOM 0 HG2 GLU B 632 2.246 -6.558 8.311 1.00 0.00 H new ATOM 0 HG3 GLU B 632 0.759 -6.739 9.220 1.00 0.00 H new ATOM 1692 N ILE B 633 0.708 -8.494 4.395 1.00 0.00 N ATOM 1693 CA ILE B 633 0.010 -9.101 3.269 1.00 0.00 C ATOM 1694 C ILE B 633 0.992 -9.751 2.299 1.00 0.00 C ATOM 1695 O ILE B 633 0.705 -10.797 1.718 1.00 0.00 O ATOM 1696 CB ILE B 633 -0.837 -8.064 2.507 1.00 0.00 C ATOM 1697 CG1 ILE B 633 -1.890 -7.454 3.434 1.00 0.00 C ATOM 1698 CG2 ILE B 633 -1.498 -8.708 1.296 1.00 0.00 C ATOM 1699 CD1 ILE B 633 -2.607 -6.265 2.833 1.00 0.00 C ATOM 0 H ILE B 633 0.740 -7.475 4.371 1.00 0.00 H new ATOM 0 HA ILE B 633 -0.649 -9.865 3.681 1.00 0.00 H new ATOM 0 HB ILE B 633 -0.182 -7.266 2.158 1.00 0.00 H new ATOM 0 HG12 ILE B 633 -2.623 -8.219 3.691 1.00 0.00 H new ATOM 0 HG13 ILE B 633 -1.410 -7.147 4.364 1.00 0.00 H new ATOM 0 HG21 ILE B 633 -2.093 -7.963 0.767 1.00 0.00 H new ATOM 0 HG22 ILE B 633 -0.731 -9.100 0.628 1.00 0.00 H new ATOM 0 HG23 ILE B 633 -2.144 -9.522 1.624 1.00 0.00 H new ATOM 0 HD11 ILE B 633 -3.339 -5.884 3.545 1.00 0.00 H new ATOM 0 HD12 ILE B 633 -1.884 -5.483 2.602 1.00 0.00 H new ATOM 0 HD13 ILE B 633 -3.116 -6.571 1.919 1.00 0.00 H new ATOM 1710 N ALA B 634 2.151 -9.124 2.131 1.00 0.00 N ATOM 1711 CA ALA B 634 3.177 -9.643 1.235 1.00 0.00 C ATOM 1712 C ALA B 634 3.703 -10.988 1.724 1.00 0.00 C ATOM 1713 O ALA B 634 3.719 -11.967 0.978 1.00 0.00 O ATOM 1714 CB ALA B 634 4.317 -8.644 1.104 1.00 0.00 C ATOM 0 H ALA B 634 2.403 -8.256 2.603 1.00 0.00 H new ATOM 0 HA ALA B 634 2.726 -9.794 0.254 1.00 0.00 H new ATOM 0 HB1 ALA B 634 5.076 -9.044 0.432 1.00 0.00 H new ATOM 0 HB2 ALA B 634 3.934 -7.706 0.702 1.00 0.00 H new ATOM 0 HB3 ALA B 634 4.758 -8.465 2.084 1.00 0.00 H new ATOM 1720 N VAL B 635 4.135 -11.028 2.980 1.00 0.00 N ATOM 1721 CA VAL B 635 4.661 -12.255 3.567 1.00 0.00 C ATOM 1722 C VAL B 635 3.647 -13.390 3.471 1.00 0.00 C ATOM 1723 O VAL B 635 4.008 -14.533 3.190 1.00 0.00 O ATOM 1724 CB VAL B 635 5.046 -12.049 5.045 1.00 0.00 C ATOM 1725 CG1 VAL B 635 3.870 -11.488 5.830 1.00 0.00 C ATOM 1726 CG2 VAL B 635 5.530 -13.355 5.656 1.00 0.00 C ATOM 0 H VAL B 635 4.131 -10.226 3.610 1.00 0.00 H new ATOM 0 HA VAL B 635 5.553 -12.520 3.000 1.00 0.00 H new ATOM 0 HB VAL B 635 5.862 -11.327 5.093 1.00 0.00 H new ATOM 0 HG11 VAL B 635 4.161 -11.349 6.871 1.00 0.00 H new ATOM 0 HG12 VAL B 635 3.573 -10.529 5.405 1.00 0.00 H new ATOM 0 HG13 VAL B 635 3.032 -12.183 5.777 1.00 0.00 H new ATOM 0 HG21 VAL B 635 5.798 -13.191 6.700 1.00 0.00 H new ATOM 0 HG22 VAL B 635 4.737 -14.100 5.597 1.00 0.00 H new ATOM 0 HG23 VAL B 635 6.403 -13.711 5.109 1.00 0.00 H new ATOM 1736 N GLU B 636 2.380 -13.066 3.706 1.00 0.00 N ATOM 1737 CA GLU B 636 1.315 -14.059 3.645 1.00 0.00 C ATOM 1738 C GLU B 636 1.183 -14.631 2.236 1.00 0.00 C ATOM 1739 O GLU B 636 0.910 -15.818 2.060 1.00 0.00 O ATOM 1740 CB GLU B 636 -0.015 -13.442 4.083 1.00 0.00 C ATOM 1741 CG GLU B 636 -0.612 -14.097 5.317 1.00 0.00 C ATOM 1742 CD GLU B 636 -1.023 -15.536 5.072 1.00 0.00 C ATOM 1743 OE1 GLU B 636 -2.019 -15.756 4.352 1.00 0.00 O ATOM 1744 OE2 GLU B 636 -0.348 -16.443 5.602 1.00 0.00 O ATOM 0 H GLU B 636 2.066 -12.124 3.940 1.00 0.00 H new ATOM 0 HA GLU B 636 1.572 -14.871 4.325 1.00 0.00 H new ATOM 0 HB2 GLU B 636 0.134 -12.381 4.281 1.00 0.00 H new ATOM 0 HB3 GLU B 636 -0.728 -13.516 3.262 1.00 0.00 H new ATOM 0 HG2 GLU B 636 0.114 -14.064 6.129 1.00 0.00 H new ATOM 0 HG3 GLU B 636 -1.481 -13.525 5.643 1.00 0.00 H new ATOM 1749 N GLN B 637 1.379 -13.776 1.236 1.00 0.00 N ATOM 1750 CA GLN B 637 1.281 -14.195 -0.157 1.00 0.00 C ATOM 1751 C GLN B 637 2.490 -15.032 -0.560 1.00 0.00 C ATOM 1752 O GLN B 637 2.389 -15.918 -1.407 1.00 0.00 O ATOM 1753 CB GLN B 637 1.161 -12.975 -1.071 1.00 0.00 C ATOM 1754 CG GLN B 637 1.971 -13.092 -2.351 1.00 0.00 C ATOM 1755 CD GLN B 637 3.428 -12.717 -2.157 1.00 0.00 C ATOM 1756 OE1 GLN B 637 3.741 -11.663 -1.603 1.00 0.00 O ATOM 1757 NE2 GLN B 637 4.328 -13.582 -2.612 1.00 0.00 N ATOM 0 H GLN B 637 1.606 -12.790 1.365 1.00 0.00 H new ATOM 0 HA GLN B 637 0.387 -14.809 -0.264 1.00 0.00 H new ATOM 0 HB2 GLN B 637 0.112 -12.825 -1.327 1.00 0.00 H new ATOM 0 HB3 GLN B 637 1.486 -12.089 -0.525 1.00 0.00 H new ATOM 0 HG2 GLN B 637 1.910 -14.115 -2.723 1.00 0.00 H new ATOM 0 HG3 GLN B 637 1.533 -12.448 -3.114 1.00 0.00 H new ATOM 0 HE21 GLN B 637 4.024 -14.444 -3.065 1.00 0.00 H new ATOM 0 HE22 GLN B 637 5.323 -13.384 -2.508 1.00 0.00 H new ATOM 1764 N ALA B 638 3.634 -14.743 0.052 1.00 0.00 N ATOM 1765 CA ALA B 638 4.863 -15.469 -0.242 1.00 0.00 C ATOM 1766 C ALA B 638 4.818 -16.880 0.334 1.00 0.00 C ATOM 1767 O ALA B 638 5.504 -17.780 -0.148 1.00 0.00 O ATOM 1768 CB ALA B 638 6.066 -14.713 0.300 1.00 0.00 C ATOM 0 H ALA B 638 3.735 -14.011 0.755 1.00 0.00 H new ATOM 0 HA ALA B 638 4.958 -15.550 -1.325 1.00 0.00 H new ATOM 0 HB1 ALA B 638 6.977 -15.267 0.073 1.00 0.00 H new ATOM 0 HB2 ALA B 638 6.116 -13.728 -0.164 1.00 0.00 H new ATOM 0 HB3 ALA B 638 5.969 -14.601 1.380 1.00 0.00 H new ATOM 1774 N ALA B 639 4.006 -17.066 1.370 1.00 0.00 N ATOM 1775 CA ALA B 639 3.871 -18.367 2.012 1.00 0.00 C ATOM 1776 C ALA B 639 2.867 -19.243 1.270 1.00 0.00 C ATOM 1777 O ALA B 639 2.912 -20.471 1.361 1.00 0.00 O ATOM 1778 CB ALA B 639 3.454 -18.199 3.465 1.00 0.00 C ATOM 0 H ALA B 639 3.432 -16.331 1.782 1.00 0.00 H new ATOM 0 HA ALA B 639 4.841 -18.863 1.979 1.00 0.00 H new ATOM 0 HB1 ALA B 639 3.357 -19.179 3.931 1.00 0.00 H new ATOM 0 HB2 ALA B 639 4.208 -17.618 3.995 1.00 0.00 H new ATOM 0 HB3 ALA B 639 2.497 -17.679 3.511 1.00 0.00 H new ATOM 1784 N LEU B 640 1.961 -18.606 0.536 1.00 0.00 N ATOM 1785 CA LEU B 640 0.945 -19.328 -0.221 1.00 0.00 C ATOM 1786 C LEU B 640 1.228 -19.255 -1.719 1.00 0.00 C ATOM 1787 O LEU B 640 0.306 -19.215 -2.532 1.00 0.00 O ATOM 1788 CB LEU B 640 -0.443 -18.755 0.075 1.00 0.00 C ATOM 1789 CG LEU B 640 -0.750 -18.468 1.545 1.00 0.00 C ATOM 1790 CD1 LEU B 640 -1.954 -17.548 1.668 1.00 0.00 C ATOM 1791 CD2 LEU B 640 -0.987 -19.764 2.304 1.00 0.00 C ATOM 0 H LEU B 640 1.909 -17.591 0.449 1.00 0.00 H new ATOM 0 HA LEU B 640 0.973 -20.374 0.086 1.00 0.00 H new ATOM 0 HB2 LEU B 640 -0.559 -17.829 -0.487 1.00 0.00 H new ATOM 0 HB3 LEU B 640 -1.190 -19.453 -0.302 1.00 0.00 H new ATOM 0 HG LEU B 640 0.112 -17.966 1.985 1.00 0.00 H new ATOM 0 HD11 LEU B 640 -2.158 -17.355 2.721 1.00 0.00 H new ATOM 0 HD12 LEU B 640 -1.746 -16.606 1.160 1.00 0.00 H new ATOM 0 HD13 LEU B 640 -2.823 -18.022 1.211 1.00 0.00 H new ATOM 0 HD21 LEU B 640 -1.204 -19.540 3.348 1.00 0.00 H new ATOM 0 HD22 LEU B 640 -1.831 -20.294 1.864 1.00 0.00 H new ATOM 0 HD23 LEU B 640 -0.096 -20.389 2.245 1.00 0.00 H new ATOM 1802 N GLN B 641 2.509 -19.242 -2.073 1.00 0.00 N ATOM 1803 CA GLN B 641 2.912 -19.176 -3.473 1.00 0.00 C ATOM 1804 C GLN B 641 2.485 -20.434 -4.222 1.00 0.00 C ATOM 1805 O GLN B 641 1.951 -20.358 -5.329 1.00 0.00 O ATOM 1806 CB GLN B 641 4.428 -18.996 -3.580 1.00 0.00 C ATOM 1807 CG GLN B 641 4.928 -17.689 -2.987 1.00 0.00 C ATOM 1808 CD GLN B 641 4.813 -16.527 -3.954 1.00 0.00 C ATOM 1809 OE1 GLN B 641 5.794 -16.128 -4.582 1.00 0.00 O ATOM 1810 NE2 GLN B 641 3.610 -15.977 -4.079 1.00 0.00 N ATOM 0 H GLN B 641 3.284 -19.276 -1.411 1.00 0.00 H new ATOM 0 HA GLN B 641 2.417 -18.318 -3.928 1.00 0.00 H new ATOM 0 HB2 GLN B 641 4.921 -19.827 -3.075 1.00 0.00 H new ATOM 0 HB3 GLN B 641 4.718 -19.044 -4.630 1.00 0.00 H new ATOM 0 HG2 GLN B 641 4.360 -17.463 -2.085 1.00 0.00 H new ATOM 0 HG3 GLN B 641 5.969 -17.805 -2.687 1.00 0.00 H new ATOM 0 HE21 GLN B 641 2.825 -16.340 -3.539 1.00 0.00 H new ATOM 0 HE22 GLN B 641 3.472 -15.192 -4.715 1.00 0.00 H new ATOM 1817 N SER B 642 2.722 -21.591 -3.611 1.00 0.00 N ATOM 1818 CA SER B 642 2.365 -22.865 -4.223 1.00 0.00 C ATOM 1819 C SER B 642 0.883 -22.899 -4.582 1.00 0.00 C ATOM 1820 O SER B 642 0.468 -23.620 -5.490 1.00 0.00 O ATOM 1821 CB SER B 642 2.699 -24.021 -3.277 1.00 0.00 C ATOM 1822 OG SER B 642 2.374 -23.692 -1.938 1.00 0.00 O ATOM 0 H SER B 642 3.160 -21.672 -2.693 1.00 0.00 H new ATOM 0 HA SER B 642 2.945 -22.975 -5.139 1.00 0.00 H new ATOM 0 HB2 SER B 642 2.150 -24.913 -3.579 1.00 0.00 H new ATOM 0 HB3 SER B 642 3.760 -24.260 -3.349 1.00 0.00 H new ATOM 0 HG SER B 642 2.595 -24.447 -1.353 1.00 0.00 H new ATOM 1827 N ALA B 643 0.088 -22.114 -3.862 1.00 0.00 N ATOM 1828 CA ALA B 643 -1.348 -22.052 -4.105 1.00 0.00 C ATOM 1829 C ALA B 643 -1.669 -21.102 -5.255 1.00 0.00 C ATOM 1830 O ALA B 643 -2.653 -21.291 -5.971 1.00 0.00 O ATOM 1831 CB ALA B 643 -2.078 -21.620 -2.843 1.00 0.00 C ATOM 0 H ALA B 643 0.414 -21.512 -3.106 1.00 0.00 H new ATOM 0 HA ALA B 643 -1.688 -23.049 -4.385 1.00 0.00 H new ATOM 0 HB1 ALA B 643 -3.149 -21.578 -3.039 1.00 0.00 H new ATOM 0 HB2 ALA B 643 -1.883 -22.337 -2.046 1.00 0.00 H new ATOM 0 HB3 ALA B 643 -1.726 -20.634 -2.538 1.00 0.00 H new ATOM 1837 N TRP B 644 -0.836 -20.083 -5.424 1.00 0.00 N ATOM 1838 CA TRP B 644 -1.033 -19.103 -6.488 1.00 0.00 C ATOM 1839 C TRP B 644 -1.192 -19.792 -7.838 1.00 0.00 C ATOM 1840 O TRP B 644 -0.638 -20.866 -8.066 1.00 0.00 O ATOM 1841 CB TRP B 644 0.144 -18.127 -6.534 1.00 0.00 C ATOM 1842 CG TRP B 644 -0.133 -16.903 -7.354 1.00 0.00 C ATOM 1843 CD1 TRP B 644 -0.040 -16.789 -8.711 1.00 0.00 C ATOM 1844 CD2 TRP B 644 -0.544 -15.620 -6.868 1.00 0.00 C ATOM 1845 NE1 TRP B 644 -0.369 -15.511 -9.098 1.00 0.00 N ATOM 1846 CE2 TRP B 644 -0.684 -14.776 -7.987 1.00 0.00 C ATOM 1847 CE3 TRP B 644 -0.810 -15.104 -5.597 1.00 0.00 C ATOM 1848 CZ2 TRP B 644 -1.076 -13.446 -7.870 1.00 0.00 C ATOM 1849 CZ3 TRP B 644 -1.200 -13.784 -5.483 1.00 0.00 C ATOM 1850 CH2 TRP B 644 -1.330 -12.966 -6.614 1.00 0.00 C ATOM 0 H TRP B 644 -0.018 -19.912 -4.839 1.00 0.00 H new ATOM 0 HA TRP B 644 -1.947 -18.549 -6.274 1.00 0.00 H new ATOM 0 HB2 TRP B 644 0.397 -17.825 -5.518 1.00 0.00 H new ATOM 0 HB3 TRP B 644 1.016 -18.639 -6.941 1.00 0.00 H new ATOM 0 HD1 TRP B 644 0.249 -17.585 -9.382 1.00 0.00 H new ATOM 0 HE1 TRP B 644 -0.377 -15.166 -10.058 1.00 0.00 H new ATOM 0 HE3 TRP B 644 -0.712 -15.726 -4.720 1.00 0.00 H new ATOM 0 HZ2 TRP B 644 -1.176 -12.814 -8.740 1.00 0.00 H new ATOM 0 HZ3 TRP B 644 -1.408 -13.375 -4.505 1.00 0.00 H new ATOM 0 HH2 TRP B 644 -1.636 -11.938 -6.492 1.00 0.00 H new ATOM 1860 N GLN B 645 -1.953 -19.165 -8.731 1.00 0.00 N ATOM 1861 CA GLN B 645 -2.184 -19.720 -10.059 1.00 0.00 C ATOM 1862 C GLN B 645 -1.265 -19.068 -11.088 1.00 0.00 C ATOM 1863 O GLN B 645 -0.428 -19.733 -11.696 1.00 0.00 O ATOM 1864 CB GLN B 645 -3.646 -19.526 -10.468 1.00 0.00 C ATOM 1865 CG GLN B 645 -4.633 -20.225 -9.547 1.00 0.00 C ATOM 1866 CD GLN B 645 -4.649 -21.728 -9.742 1.00 0.00 C ATOM 1867 OE1 GLN B 645 -5.265 -22.238 -10.678 1.00 0.00 O ATOM 1868 NE2 GLN B 645 -3.968 -22.447 -8.856 1.00 0.00 N ATOM 0 H GLN B 645 -2.419 -18.274 -8.559 1.00 0.00 H new ATOM 0 HA GLN B 645 -1.962 -20.787 -10.024 1.00 0.00 H new ATOM 0 HB2 GLN B 645 -3.871 -18.460 -10.486 1.00 0.00 H new ATOM 0 HB3 GLN B 645 -3.783 -19.898 -11.483 1.00 0.00 H new ATOM 0 HG2 GLN B 645 -4.380 -20.000 -8.511 1.00 0.00 H new ATOM 0 HG3 GLN B 645 -5.633 -19.829 -9.724 1.00 0.00 H new ATOM 0 HE21 GLN B 645 -3.472 -21.982 -8.096 1.00 0.00 H new ATOM 0 HE22 GLN B 645 -3.942 -23.463 -8.936 1.00 0.00 H new ATOM 1875 N GLY B 646 -1.430 -17.763 -11.279 1.00 0.00 N ATOM 1876 CA GLY B 646 -0.609 -17.044 -12.236 1.00 0.00 C ATOM 1877 C GLY B 646 -1.277 -16.913 -13.590 1.00 0.00 C ATOM 1878 O GLY B 646 -0.906 -16.055 -14.392 1.00 0.00 O ATOM 0 H GLY B 646 -2.117 -17.191 -10.788 1.00 0.00 H new ATOM 0 HA2 GLY B 646 -0.388 -16.051 -11.846 1.00 0.00 H new ATOM 0 HA3 GLY B 646 0.344 -17.560 -12.353 1.00 0.00 H new ATOM 1882 N ASP B 647 -2.263 -17.765 -13.846 1.00 0.00 N ATOM 1883 CA ASP B 647 -2.984 -17.741 -15.114 1.00 0.00 C ATOM 1884 C ASP B 647 -4.142 -16.750 -15.062 1.00 0.00 C ATOM 1885 O ASP B 647 -4.566 -16.218 -16.088 1.00 0.00 O ATOM 1886 CB ASP B 647 -3.507 -19.138 -15.453 1.00 0.00 C ATOM 1887 CG ASP B 647 -2.412 -20.187 -15.432 1.00 0.00 C ATOM 1888 OD1 ASP B 647 -1.547 -20.159 -16.333 1.00 0.00 O ATOM 1889 OD2 ASP B 647 -2.421 -21.036 -14.516 1.00 0.00 O ATOM 0 H ASP B 647 -2.582 -18.481 -13.193 1.00 0.00 H new ATOM 0 HA ASP B 647 -2.291 -17.421 -15.892 1.00 0.00 H new ATOM 0 HB2 ASP B 647 -4.285 -19.414 -14.741 1.00 0.00 H new ATOM 0 HB3 ASP B 647 -3.970 -19.120 -16.440 1.00 0.00 H new ATOM 1893 N THR B 648 -4.651 -16.505 -13.858 1.00 0.00 N ATOM 1894 CA THR B 648 -5.762 -15.580 -13.671 1.00 0.00 C ATOM 1895 C THR B 648 -5.337 -14.146 -13.967 1.00 0.00 C ATOM 1896 O THR B 648 -6.144 -13.328 -14.410 1.00 0.00 O ATOM 1897 CB THR B 648 -6.320 -15.654 -12.238 1.00 0.00 C ATOM 1898 OG1 THR B 648 -5.244 -15.707 -11.295 1.00 0.00 O ATOM 1899 CG2 THR B 648 -7.212 -16.874 -12.066 1.00 0.00 C ATOM 0 H THR B 648 -4.311 -16.935 -12.998 1.00 0.00 H new ATOM 0 HA THR B 648 -6.543 -15.877 -14.371 1.00 0.00 H new ATOM 0 HB THR B 648 -6.916 -14.760 -12.058 1.00 0.00 H new ATOM 0 HG1 THR B 648 -5.306 -16.535 -10.774 1.00 0.00 H new ATOM 0 HG21 THR B 648 -7.594 -16.904 -11.046 1.00 0.00 H new ATOM 0 HG22 THR B 648 -8.047 -16.816 -12.765 1.00 0.00 H new ATOM 0 HG23 THR B 648 -6.635 -17.777 -12.264 1.00 0.00 H new ATOM 1907 N GLY B 649 -4.066 -13.846 -13.718 1.00 0.00 N ATOM 1908 CA GLY B 649 -3.557 -12.510 -13.964 1.00 0.00 C ATOM 1909 C GLY B 649 -2.148 -12.320 -13.439 1.00 0.00 C ATOM 1910 O GLY B 649 -1.209 -12.953 -13.921 1.00 0.00 O ATOM 0 H GLY B 649 -3.380 -14.505 -13.350 1.00 0.00 H new ATOM 0 HA2 GLY B 649 -3.572 -12.311 -15.035 1.00 0.00 H new ATOM 0 HA3 GLY B 649 -4.218 -11.781 -13.495 1.00 0.00 H new ATOM 1914 N ILE B 650 -2.000 -11.446 -12.449 1.00 0.00 N ATOM 1915 CA ILE B 650 -0.695 -11.174 -11.860 1.00 0.00 C ATOM 1916 C ILE B 650 -0.021 -12.463 -11.399 1.00 0.00 C ATOM 1917 O ILE B 650 -0.680 -13.376 -10.899 1.00 0.00 O ATOM 1918 CB ILE B 650 -0.807 -10.210 -10.663 1.00 0.00 C ATOM 1919 CG1 ILE B 650 -1.439 -8.889 -11.104 1.00 0.00 C ATOM 1920 CG2 ILE B 650 0.563 -9.970 -10.048 1.00 0.00 C ATOM 1921 CD1 ILE B 650 -1.546 -7.870 -9.990 1.00 0.00 C ATOM 0 H ILE B 650 -2.768 -10.914 -12.038 1.00 0.00 H new ATOM 0 HA ILE B 650 -0.089 -10.707 -12.637 1.00 0.00 H new ATOM 0 HB ILE B 650 -1.448 -10.663 -9.907 1.00 0.00 H new ATOM 0 HG12 ILE B 650 -0.849 -8.466 -11.917 1.00 0.00 H new ATOM 0 HG13 ILE B 650 -2.434 -9.086 -11.502 1.00 0.00 H new ATOM 0 HG21 ILE B 650 0.468 -9.287 -9.204 1.00 0.00 H new ATOM 0 HG22 ILE B 650 0.978 -10.917 -9.704 1.00 0.00 H new ATOM 0 HG23 ILE B 650 1.226 -9.533 -10.795 1.00 0.00 H new ATOM 0 HD11 ILE B 650 -2.003 -6.958 -10.374 1.00 0.00 H new ATOM 0 HD12 ILE B 650 -2.161 -8.273 -9.186 1.00 0.00 H new ATOM 0 HD13 ILE B 650 -0.551 -7.644 -9.607 1.00 0.00 H new ATOM 1932 N THR B 651 1.296 -12.530 -11.568 1.00 0.00 N ATOM 1933 CA THR B 651 2.059 -13.704 -11.168 1.00 0.00 C ATOM 1934 C THR B 651 2.592 -13.558 -9.748 1.00 0.00 C ATOM 1935 O THR B 651 2.565 -12.468 -9.174 1.00 0.00 O ATOM 1936 CB THR B 651 3.239 -13.960 -12.124 1.00 0.00 C ATOM 1937 OG1 THR B 651 3.127 -13.117 -13.276 1.00 0.00 O ATOM 1938 CG2 THR B 651 3.280 -15.417 -12.557 1.00 0.00 C ATOM 0 H THR B 651 1.856 -11.784 -11.980 1.00 0.00 H new ATOM 0 HA THR B 651 1.376 -14.553 -11.210 1.00 0.00 H new ATOM 0 HB THR B 651 4.163 -13.730 -11.594 1.00 0.00 H new ATOM 0 HG1 THR B 651 3.882 -13.284 -13.878 1.00 0.00 H new ATOM 0 HG21 THR B 651 4.122 -15.573 -13.232 1.00 0.00 H new ATOM 0 HG22 THR B 651 3.395 -16.054 -11.680 1.00 0.00 H new ATOM 0 HG23 THR B 651 2.352 -15.670 -13.070 1.00 0.00 H new ATOM 1946 N TYR B 652 3.078 -14.659 -9.186 1.00 0.00 N ATOM 1947 CA TYR B 652 3.616 -14.653 -7.830 1.00 0.00 C ATOM 1948 C TYR B 652 4.814 -13.715 -7.726 1.00 0.00 C ATOM 1949 O TYR B 652 4.961 -12.986 -6.745 1.00 0.00 O ATOM 1950 CB TYR B 652 4.023 -16.068 -7.414 1.00 0.00 C ATOM 1951 CG TYR B 652 5.107 -16.665 -8.282 1.00 0.00 C ATOM 1952 CD1 TYR B 652 4.793 -17.337 -9.457 1.00 0.00 C ATOM 1953 CD2 TYR B 652 6.447 -16.558 -7.927 1.00 0.00 C ATOM 1954 CE1 TYR B 652 5.780 -17.886 -10.252 1.00 0.00 C ATOM 1955 CE2 TYR B 652 7.440 -17.102 -8.717 1.00 0.00 C ATOM 1956 CZ TYR B 652 7.102 -17.766 -9.879 1.00 0.00 C ATOM 1957 OH TYR B 652 8.089 -18.310 -10.669 1.00 0.00 O ATOM 0 H TYR B 652 3.111 -15.568 -9.648 1.00 0.00 H new ATOM 0 HA TYR B 652 2.837 -14.295 -7.157 1.00 0.00 H new ATOM 0 HB2 TYR B 652 4.366 -16.049 -6.380 1.00 0.00 H new ATOM 0 HB3 TYR B 652 3.146 -16.714 -7.447 1.00 0.00 H new ATOM 0 HD1 TYR B 652 3.759 -17.432 -9.754 1.00 0.00 H new ATOM 0 HD2 TYR B 652 6.716 -16.041 -7.018 1.00 0.00 H new ATOM 0 HE1 TYR B 652 5.518 -18.407 -11.161 1.00 0.00 H new ATOM 0 HE2 TYR B 652 8.476 -17.008 -8.427 1.00 0.00 H new ATOM 0 HH TYR B 652 8.553 -17.594 -11.152 1.00 0.00 H new ATOM 1966 N GLN B 653 5.668 -13.740 -8.744 1.00 0.00 N ATOM 1967 CA GLN B 653 6.855 -12.892 -8.766 1.00 0.00 C ATOM 1968 C GLN B 653 6.483 -11.443 -9.064 1.00 0.00 C ATOM 1969 O GLN B 653 7.000 -10.518 -8.439 1.00 0.00 O ATOM 1970 CB GLN B 653 7.850 -13.400 -9.811 1.00 0.00 C ATOM 1971 CG GLN B 653 7.270 -13.486 -11.214 1.00 0.00 C ATOM 1972 CD GLN B 653 7.799 -14.675 -11.992 1.00 0.00 C ATOM 1973 OE1 GLN B 653 8.726 -15.356 -11.552 1.00 0.00 O ATOM 1974 NE2 GLN B 653 7.214 -14.928 -13.156 1.00 0.00 N ATOM 0 H GLN B 653 5.561 -14.337 -9.564 1.00 0.00 H new ATOM 0 HA GLN B 653 7.319 -12.934 -7.781 1.00 0.00 H new ATOM 0 HB2 GLN B 653 8.717 -12.740 -9.825 1.00 0.00 H new ATOM 0 HB3 GLN B 653 8.205 -14.386 -9.513 1.00 0.00 H new ATOM 0 HG2 GLN B 653 6.184 -13.552 -11.151 1.00 0.00 H new ATOM 0 HG3 GLN B 653 7.502 -12.569 -11.756 1.00 0.00 H new ATOM 0 HE21 GLN B 653 6.449 -14.337 -13.481 1.00 0.00 H new ATOM 0 HE22 GLN B 653 7.529 -15.713 -13.725 1.00 0.00 H new ATOM 1981 N ALA B 654 5.583 -11.254 -10.023 1.00 0.00 N ATOM 1982 CA ALA B 654 5.140 -9.918 -10.403 1.00 0.00 C ATOM 1983 C ALA B 654 4.405 -9.237 -9.254 1.00 0.00 C ATOM 1984 O ALA B 654 4.599 -8.048 -8.998 1.00 0.00 O ATOM 1985 CB ALA B 654 4.250 -9.986 -11.635 1.00 0.00 C ATOM 0 H ALA B 654 5.146 -12.009 -10.551 1.00 0.00 H new ATOM 0 HA ALA B 654 6.022 -9.323 -10.639 1.00 0.00 H new ATOM 0 HB1 ALA B 654 3.927 -8.981 -11.907 1.00 0.00 H new ATOM 0 HB2 ALA B 654 4.807 -10.424 -12.463 1.00 0.00 H new ATOM 0 HB3 ALA B 654 3.377 -10.602 -11.419 1.00 0.00 H new ATOM 1991 N TRP B 655 3.560 -9.995 -8.566 1.00 0.00 N ATOM 1992 CA TRP B 655 2.795 -9.463 -7.444 1.00 0.00 C ATOM 1993 C TRP B 655 3.720 -9.003 -6.323 1.00 0.00 C ATOM 1994 O TRP B 655 3.500 -7.956 -5.715 1.00 0.00 O ATOM 1995 CB TRP B 655 1.821 -10.519 -6.917 1.00 0.00 C ATOM 1996 CG TRP B 655 0.832 -9.976 -5.931 1.00 0.00 C ATOM 1997 CD1 TRP B 655 -0.472 -9.649 -6.173 1.00 0.00 C ATOM 1998 CD2 TRP B 655 1.068 -9.695 -4.547 1.00 0.00 C ATOM 1999 NE1 TRP B 655 -1.061 -9.182 -5.023 1.00 0.00 N ATOM 2000 CE2 TRP B 655 -0.137 -9.201 -4.011 1.00 0.00 C ATOM 2001 CE3 TRP B 655 2.179 -9.814 -3.708 1.00 0.00 C ATOM 2002 CZ2 TRP B 655 -0.260 -8.827 -2.676 1.00 0.00 C ATOM 2003 CZ3 TRP B 655 2.056 -9.441 -2.384 1.00 0.00 C ATOM 2004 CH2 TRP B 655 0.844 -8.954 -1.877 1.00 0.00 C ATOM 0 H TRP B 655 3.387 -10.980 -8.765 1.00 0.00 H new ATOM 0 HA TRP B 655 2.229 -8.602 -7.799 1.00 0.00 H new ATOM 0 HB2 TRP B 655 1.282 -10.957 -7.757 1.00 0.00 H new ATOM 0 HB3 TRP B 655 2.387 -11.323 -6.447 1.00 0.00 H new ATOM 0 HD1 TRP B 655 -0.967 -9.744 -7.128 1.00 0.00 H new ATOM 0 HE1 TRP B 655 -2.029 -8.872 -4.936 1.00 0.00 H new ATOM 0 HE3 TRP B 655 3.117 -10.191 -4.088 1.00 0.00 H new ATOM 0 HZ2 TRP B 655 -1.193 -8.450 -2.285 1.00 0.00 H new ATOM 0 HZ3 TRP B 655 2.909 -9.526 -1.728 1.00 0.00 H new ATOM 0 HH2 TRP B 655 0.780 -8.674 -0.836 1.00 0.00 H new ATOM 2014 N GLN B 656 4.756 -9.792 -6.055 1.00 0.00 N ATOM 2015 CA GLN B 656 5.714 -9.464 -5.005 1.00 0.00 C ATOM 2016 C GLN B 656 6.280 -8.062 -5.204 1.00 0.00 C ATOM 2017 O GLN B 656 6.200 -7.217 -4.313 1.00 0.00 O ATOM 2018 CB GLN B 656 6.850 -10.487 -4.985 1.00 0.00 C ATOM 2019 CG GLN B 656 6.566 -11.695 -4.107 1.00 0.00 C ATOM 2020 CD GLN B 656 7.804 -12.205 -3.397 1.00 0.00 C ATOM 2021 OE1 GLN B 656 8.112 -11.786 -2.281 1.00 0.00 O ATOM 2022 NE2 GLN B 656 8.524 -13.116 -4.042 1.00 0.00 N ATOM 0 H GLN B 656 4.953 -10.662 -6.550 1.00 0.00 H new ATOM 0 HA GLN B 656 5.192 -9.493 -4.049 1.00 0.00 H new ATOM 0 HB2 GLN B 656 7.041 -10.825 -6.003 1.00 0.00 H new ATOM 0 HB3 GLN B 656 7.760 -10.000 -4.635 1.00 0.00 H new ATOM 0 HG2 GLN B 656 5.810 -11.432 -3.367 1.00 0.00 H new ATOM 0 HG3 GLN B 656 6.148 -12.494 -4.719 1.00 0.00 H new ATOM 0 HE21 GLN B 656 8.233 -13.436 -4.966 1.00 0.00 H new ATOM 0 HE22 GLN B 656 9.368 -13.496 -3.614 1.00 0.00 H new ATOM 2029 N ALA B 657 6.852 -7.822 -6.380 1.00 0.00 N ATOM 2030 CA ALA B 657 7.430 -6.521 -6.696 1.00 0.00 C ATOM 2031 C ALA B 657 6.344 -5.465 -6.868 1.00 0.00 C ATOM 2032 O ALA B 657 6.502 -4.323 -6.436 1.00 0.00 O ATOM 2033 CB ALA B 657 8.283 -6.615 -7.952 1.00 0.00 C ATOM 0 H ALA B 657 6.927 -8.511 -7.129 1.00 0.00 H new ATOM 0 HA ALA B 657 8.063 -6.219 -5.862 1.00 0.00 H new ATOM 0 HB1 ALA B 657 8.709 -5.637 -8.177 1.00 0.00 H new ATOM 0 HB2 ALA B 657 9.088 -7.333 -7.793 1.00 0.00 H new ATOM 0 HB3 ALA B 657 7.665 -6.943 -8.788 1.00 0.00 H new ATOM 2039 N GLN B 658 5.243 -5.853 -7.502 1.00 0.00 N ATOM 2040 CA GLN B 658 4.131 -4.938 -7.734 1.00 0.00 C ATOM 2041 C GLN B 658 3.638 -4.339 -6.420 1.00 0.00 C ATOM 2042 O GLN B 658 3.535 -3.120 -6.283 1.00 0.00 O ATOM 2043 CB GLN B 658 2.984 -5.663 -8.439 1.00 0.00 C ATOM 2044 CG GLN B 658 3.091 -5.639 -9.955 1.00 0.00 C ATOM 2045 CD GLN B 658 1.936 -6.352 -10.633 1.00 0.00 C ATOM 2046 OE1 GLN B 658 0.777 -5.973 -10.468 1.00 0.00 O ATOM 2047 NE2 GLN B 658 2.250 -7.389 -11.401 1.00 0.00 N ATOM 0 H GLN B 658 5.096 -6.795 -7.865 1.00 0.00 H new ATOM 0 HA GLN B 658 4.486 -4.129 -8.372 1.00 0.00 H new ATOM 0 HB2 GLN B 658 2.958 -6.699 -8.101 1.00 0.00 H new ATOM 0 HB3 GLN B 658 2.040 -5.207 -8.142 1.00 0.00 H new ATOM 0 HG2 GLN B 658 3.125 -4.605 -10.297 1.00 0.00 H new ATOM 0 HG3 GLN B 658 4.029 -6.106 -10.257 1.00 0.00 H new ATOM 0 HE21 GLN B 658 3.225 -7.667 -11.508 1.00 0.00 H new ATOM 0 HE22 GLN B 658 1.516 -7.907 -11.883 1.00 0.00 H new ATOM 2054 N TRP B 659 3.335 -5.203 -5.459 1.00 0.00 N ATOM 2055 CA TRP B 659 2.852 -4.759 -4.157 1.00 0.00 C ATOM 2056 C TRP B 659 3.888 -3.881 -3.462 1.00 0.00 C ATOM 2057 O TRP B 659 3.566 -2.809 -2.953 1.00 0.00 O ATOM 2058 CB TRP B 659 2.514 -5.963 -3.277 1.00 0.00 C ATOM 2059 CG TRP B 659 2.037 -5.584 -1.907 1.00 0.00 C ATOM 2060 CD1 TRP B 659 2.812 -5.255 -0.832 1.00 0.00 C ATOM 2061 CD2 TRP B 659 0.678 -5.495 -1.467 1.00 0.00 C ATOM 2062 NE1 TRP B 659 2.016 -4.967 0.251 1.00 0.00 N ATOM 2063 CE2 TRP B 659 0.703 -5.107 -0.113 1.00 0.00 C ATOM 2064 CE3 TRP B 659 -0.558 -5.704 -2.084 1.00 0.00 C ATOM 2065 CZ2 TRP B 659 -0.461 -4.925 0.631 1.00 0.00 C ATOM 2066 CZ3 TRP B 659 -1.712 -5.524 -1.345 1.00 0.00 C ATOM 2067 CH2 TRP B 659 -1.656 -5.137 0.001 1.00 0.00 C ATOM 0 H TRP B 659 3.415 -6.215 -5.557 1.00 0.00 H new ATOM 0 HA TRP B 659 1.949 -4.169 -4.315 1.00 0.00 H new ATOM 0 HB2 TRP B 659 1.746 -6.559 -3.769 1.00 0.00 H new ATOM 0 HB3 TRP B 659 3.397 -6.595 -3.184 1.00 0.00 H new ATOM 0 HD1 TRP B 659 3.892 -5.225 -0.833 1.00 0.00 H new ATOM 0 HE1 TRP B 659 2.349 -4.693 1.175 1.00 0.00 H new ATOM 0 HE3 TRP B 659 -0.611 -6.001 -3.121 1.00 0.00 H new ATOM 0 HZ2 TRP B 659 -0.421 -4.627 1.668 1.00 0.00 H new ATOM 0 HZ3 TRP B 659 -2.672 -5.684 -1.812 1.00 0.00 H new ATOM 0 HH2 TRP B 659 -2.575 -5.004 0.552 1.00 0.00 H new ATOM 2077 N ASN B 660 5.133 -4.345 -3.445 1.00 0.00 N ATOM 2078 CA ASN B 660 6.217 -3.602 -2.813 1.00 0.00 C ATOM 2079 C ASN B 660 6.290 -2.178 -3.356 1.00 0.00 C ATOM 2080 O ASN B 660 6.168 -1.210 -2.606 1.00 0.00 O ATOM 2081 CB ASN B 660 7.552 -4.314 -3.038 1.00 0.00 C ATOM 2082 CG ASN B 660 8.302 -4.560 -1.743 1.00 0.00 C ATOM 2083 OD1 ASN B 660 9.201 -3.802 -1.379 1.00 0.00 O ATOM 2084 ND2 ASN B 660 7.934 -5.626 -1.040 1.00 0.00 N ATOM 0 H ASN B 660 5.416 -5.232 -3.862 1.00 0.00 H new ATOM 0 HA ASN B 660 6.014 -3.554 -1.743 1.00 0.00 H new ATOM 0 HB2 ASN B 660 7.373 -5.266 -3.537 1.00 0.00 H new ATOM 0 HB3 ASN B 660 8.172 -3.715 -3.706 1.00 0.00 H new ATOM 0 HD21 ASN B 660 8.402 -5.843 -0.160 1.00 0.00 H new ATOM 0 HD22 ASN B 660 7.183 -6.227 -1.380 1.00 0.00 H new ATOM 2090 N GLN B 661 6.490 -2.059 -4.666 1.00 0.00 N ATOM 2091 CA GLN B 661 6.579 -0.754 -5.309 1.00 0.00 C ATOM 2092 C GLN B 661 5.316 0.064 -5.059 1.00 0.00 C ATOM 2093 O GLN B 661 5.385 1.214 -4.629 1.00 0.00 O ATOM 2094 CB GLN B 661 6.806 -0.918 -6.813 1.00 0.00 C ATOM 2095 CG GLN B 661 8.163 -1.506 -7.163 1.00 0.00 C ATOM 2096 CD GLN B 661 9.302 -0.537 -6.912 1.00 0.00 C ATOM 2097 OE1 GLN B 661 9.876 -0.503 -5.823 1.00 0.00 O ATOM 2098 NE2 GLN B 661 9.635 0.259 -7.921 1.00 0.00 N ATOM 0 H GLN B 661 6.593 -2.850 -5.301 1.00 0.00 H new ATOM 0 HA GLN B 661 7.426 -0.221 -4.877 1.00 0.00 H new ATOM 0 HB2 GLN B 661 6.025 -1.559 -7.222 1.00 0.00 H new ATOM 0 HB3 GLN B 661 6.705 0.054 -7.295 1.00 0.00 H new ATOM 0 HG2 GLN B 661 8.325 -2.410 -6.577 1.00 0.00 H new ATOM 0 HG3 GLN B 661 8.167 -1.801 -8.212 1.00 0.00 H new ATOM 0 HE21 GLN B 661 9.133 0.197 -8.807 1.00 0.00 H new ATOM 0 HE22 GLN B 661 10.393 0.932 -7.811 1.00 0.00 H new ATOM 2105 N ALA B 662 4.163 -0.539 -5.333 1.00 0.00 N ATOM 2106 CA ALA B 662 2.885 0.133 -5.137 1.00 0.00 C ATOM 2107 C ALA B 662 2.784 0.721 -3.734 1.00 0.00 C ATOM 2108 O ALA B 662 2.524 1.913 -3.568 1.00 0.00 O ATOM 2109 CB ALA B 662 1.737 -0.833 -5.390 1.00 0.00 C ATOM 0 H ALA B 662 4.089 -1.491 -5.691 1.00 0.00 H new ATOM 0 HA ALA B 662 2.820 0.953 -5.852 1.00 0.00 H new ATOM 0 HB1 ALA B 662 0.788 -0.318 -5.240 1.00 0.00 H new ATOM 0 HB2 ALA B 662 1.791 -1.203 -6.414 1.00 0.00 H new ATOM 0 HB3 ALA B 662 1.808 -1.672 -4.697 1.00 0.00 H new ATOM 2115 N MET B 663 2.990 -0.122 -2.727 1.00 0.00 N ATOM 2116 CA MET B 663 2.923 0.316 -1.337 1.00 0.00 C ATOM 2117 C MET B 663 3.896 1.462 -1.081 1.00 0.00 C ATOM 2118 O MET B 663 3.563 2.430 -0.398 1.00 0.00 O ATOM 2119 CB MET B 663 3.230 -0.850 -0.397 1.00 0.00 C ATOM 2120 CG MET B 663 2.009 -1.374 0.342 1.00 0.00 C ATOM 2121 SD MET B 663 1.839 -0.664 1.991 1.00 0.00 S ATOM 2122 CE MET B 663 0.119 -1.024 2.339 1.00 0.00 C ATOM 0 H MET B 663 3.205 -1.112 -2.847 1.00 0.00 H new ATOM 0 HA MET B 663 1.911 0.672 -1.143 1.00 0.00 H new ATOM 0 HB2 MET B 663 3.672 -1.663 -0.973 1.00 0.00 H new ATOM 0 HB3 MET B 663 3.976 -0.532 0.331 1.00 0.00 H new ATOM 0 HG2 MET B 663 1.114 -1.152 -0.239 1.00 0.00 H new ATOM 0 HG3 MET B 663 2.076 -2.459 0.423 1.00 0.00 H new ATOM 0 HE1 MET B 663 -0.144 -0.630 3.321 1.00 0.00 H new ATOM 0 HE2 MET B 663 -0.511 -0.559 1.581 1.00 0.00 H new ATOM 0 HE3 MET B 663 -0.036 -2.103 2.328 1.00 0.00 H new ATOM 2130 N GLU B 664 5.100 1.345 -1.632 1.00 0.00 N ATOM 2131 CA GLU B 664 6.121 2.372 -1.461 1.00 0.00 C ATOM 2132 C GLU B 664 5.576 3.748 -1.833 1.00 0.00 C ATOM 2133 O GLU B 664 5.615 4.680 -1.030 1.00 0.00 O ATOM 2134 CB GLU B 664 7.349 2.049 -2.315 1.00 0.00 C ATOM 2135 CG GLU B 664 8.588 2.836 -1.923 1.00 0.00 C ATOM 2136 CD GLU B 664 9.808 1.955 -1.745 1.00 0.00 C ATOM 2137 OE1 GLU B 664 10.020 1.059 -2.589 1.00 0.00 O ATOM 2138 OE2 GLU B 664 10.551 2.160 -0.762 1.00 0.00 O ATOM 0 H GLU B 664 5.392 0.550 -2.200 1.00 0.00 H new ATOM 0 HA GLU B 664 6.412 2.388 -0.411 1.00 0.00 H new ATOM 0 HB2 GLU B 664 7.566 0.984 -2.236 1.00 0.00 H new ATOM 0 HB3 GLU B 664 7.117 2.250 -3.361 1.00 0.00 H new ATOM 0 HG2 GLU B 664 8.794 3.585 -2.687 1.00 0.00 H new ATOM 0 HG3 GLU B 664 8.394 3.373 -0.994 1.00 0.00 H new ATOM 2143 N ASP B 665 5.071 3.867 -3.055 1.00 0.00 N ATOM 2144 CA ASP B 665 4.518 5.128 -3.535 1.00 0.00 C ATOM 2145 C ASP B 665 3.202 5.447 -2.832 1.00 0.00 C ATOM 2146 O ASP B 665 2.849 6.612 -2.651 1.00 0.00 O ATOM 2147 CB ASP B 665 4.304 5.073 -5.048 1.00 0.00 C ATOM 2148 CG ASP B 665 4.062 6.444 -5.649 1.00 0.00 C ATOM 2149 OD1 ASP B 665 5.033 7.222 -5.760 1.00 0.00 O ATOM 2150 OD2 ASP B 665 2.903 6.738 -6.008 1.00 0.00 O ATOM 0 H ASP B 665 5.033 3.105 -3.732 1.00 0.00 H new ATOM 0 HA ASP B 665 5.231 5.920 -3.307 1.00 0.00 H new ATOM 0 HB2 ASP B 665 5.177 4.622 -5.519 1.00 0.00 H new ATOM 0 HB3 ASP B 665 3.454 4.428 -5.269 1.00 0.00 H new ATOM 2154 N LEU B 666 2.480 4.403 -2.439 1.00 0.00 N ATOM 2155 CA LEU B 666 1.201 4.570 -1.758 1.00 0.00 C ATOM 2156 C LEU B 666 1.387 5.271 -0.416 1.00 0.00 C ATOM 2157 O LEU B 666 0.606 6.149 -0.048 1.00 0.00 O ATOM 2158 CB LEU B 666 0.531 3.212 -1.548 1.00 0.00 C ATOM 2159 CG LEU B 666 -0.083 2.972 -0.169 1.00 0.00 C ATOM 2160 CD1 LEU B 666 -1.312 3.845 0.028 1.00 0.00 C ATOM 2161 CD2 LEU B 666 -0.436 1.503 0.010 1.00 0.00 C ATOM 0 H LEU B 666 2.759 3.432 -2.580 1.00 0.00 H new ATOM 0 HA LEU B 666 0.561 5.190 -2.386 1.00 0.00 H new ATOM 0 HB2 LEU B 666 -0.252 3.096 -2.297 1.00 0.00 H new ATOM 0 HB3 LEU B 666 1.269 2.432 -1.735 1.00 0.00 H new ATOM 0 HG LEU B 666 0.654 3.242 0.587 1.00 0.00 H new ATOM 0 HD11 LEU B 666 -1.735 3.660 1.015 1.00 0.00 H new ATOM 0 HD12 LEU B 666 -1.030 4.895 -0.055 1.00 0.00 H new ATOM 0 HD13 LEU B 666 -2.053 3.607 -0.735 1.00 0.00 H new ATOM 0 HD21 LEU B 666 -0.872 1.351 0.997 1.00 0.00 H new ATOM 0 HD22 LEU B 666 -1.155 1.206 -0.754 1.00 0.00 H new ATOM 0 HD23 LEU B 666 0.466 0.898 -0.086 1.00 0.00 H new ATOM 2172 N VAL B 667 2.427 4.879 0.312 1.00 0.00 N ATOM 2173 CA VAL B 667 2.719 5.470 1.611 1.00 0.00 C ATOM 2174 C VAL B 667 3.119 6.936 1.471 1.00 0.00 C ATOM 2175 O VAL B 667 2.570 7.807 2.144 1.00 0.00 O ATOM 2176 CB VAL B 667 3.846 4.710 2.335 1.00 0.00 C ATOM 2177 CG1 VAL B 667 4.053 5.267 3.735 1.00 0.00 C ATOM 2178 CG2 VAL B 667 3.536 3.221 2.385 1.00 0.00 C ATOM 0 H VAL B 667 3.083 4.153 0.023 1.00 0.00 H new ATOM 0 HA VAL B 667 1.806 5.399 2.202 1.00 0.00 H new ATOM 0 HB VAL B 667 4.771 4.847 1.776 1.00 0.00 H new ATOM 0 HG11 VAL B 667 4.853 4.717 4.231 1.00 0.00 H new ATOM 0 HG12 VAL B 667 4.323 6.321 3.671 1.00 0.00 H new ATOM 0 HG13 VAL B 667 3.132 5.162 4.308 1.00 0.00 H new ATOM 0 HG21 VAL B 667 4.342 2.699 2.900 1.00 0.00 H new ATOM 0 HG22 VAL B 667 2.600 3.062 2.921 1.00 0.00 H new ATOM 0 HG23 VAL B 667 3.443 2.834 1.370 1.00 0.00 H new ATOM 2188 N ARG B 668 4.079 7.199 0.590 1.00 0.00 N ATOM 2189 CA ARG B 668 4.554 8.558 0.362 1.00 0.00 C ATOM 2190 C ARG B 668 3.429 9.446 -0.164 1.00 0.00 C ATOM 2191 O ARG B 668 3.359 10.631 0.157 1.00 0.00 O ATOM 2192 CB ARG B 668 5.719 8.554 -0.630 1.00 0.00 C ATOM 2193 CG ARG B 668 6.926 7.764 -0.149 1.00 0.00 C ATOM 2194 CD ARG B 668 7.796 7.313 -1.311 1.00 0.00 C ATOM 2195 NE ARG B 668 8.384 8.443 -2.025 1.00 0.00 N ATOM 2196 CZ ARG B 668 9.191 8.311 -3.073 1.00 0.00 C ATOM 2197 NH1 ARG B 668 9.502 7.105 -3.525 1.00 0.00 N ATOM 2198 NH2 ARG B 668 9.686 9.388 -3.669 1.00 0.00 N ATOM 0 H ARG B 668 4.543 6.489 0.023 1.00 0.00 H new ATOM 0 HA ARG B 668 4.897 8.961 1.315 1.00 0.00 H new ATOM 0 HB2 ARG B 668 5.377 8.138 -1.577 1.00 0.00 H new ATOM 0 HB3 ARG B 668 6.023 9.583 -0.825 1.00 0.00 H new ATOM 0 HG2 ARG B 668 7.516 8.378 0.532 1.00 0.00 H new ATOM 0 HG3 ARG B 668 6.591 6.894 0.415 1.00 0.00 H new ATOM 0 HD2 ARG B 668 8.591 6.666 -0.939 1.00 0.00 H new ATOM 0 HD3 ARG B 668 7.198 6.719 -2.002 1.00 0.00 H new ATOM 0 HE ARG B 668 8.163 9.385 -1.702 1.00 0.00 H new ATOM 0 HH11 ARG B 668 9.122 6.276 -3.069 1.00 0.00 H new ATOM 0 HH12 ARG B 668 10.121 7.006 -4.329 1.00 0.00 H new ATOM 0 HH21 ARG B 668 9.447 10.317 -3.323 1.00 0.00 H new ATOM 0 HH22 ARG B 668 10.305 9.287 -4.473 1.00 0.00 H new ATOM 2209 N ALA B 669 2.551 8.862 -0.974 1.00 0.00 N ATOM 2210 CA ALA B 669 1.429 9.599 -1.541 1.00 0.00 C ATOM 2211 C ALA B 669 0.581 10.238 -0.446 1.00 0.00 C ATOM 2212 O ALA B 669 -0.099 11.238 -0.679 1.00 0.00 O ATOM 2213 CB ALA B 669 0.576 8.680 -2.403 1.00 0.00 C ATOM 0 H ALA B 669 2.596 7.882 -1.252 1.00 0.00 H new ATOM 0 HA ALA B 669 1.830 10.397 -2.166 1.00 0.00 H new ATOM 0 HB1 ALA B 669 -0.259 9.244 -2.820 1.00 0.00 H new ATOM 0 HB2 ALA B 669 1.182 8.275 -3.214 1.00 0.00 H new ATOM 0 HB3 ALA B 669 0.193 7.862 -1.793 1.00 0.00 H new ATOM 2219 N TYR B 670 0.627 9.656 0.747 1.00 0.00 N ATOM 2220 CA TYR B 670 -0.139 10.168 1.876 1.00 0.00 C ATOM 2221 C TYR B 670 0.626 11.273 2.598 1.00 0.00 C ATOM 2222 O TYR B 670 0.140 12.397 2.728 1.00 0.00 O ATOM 2223 CB TYR B 670 -0.465 9.036 2.853 1.00 0.00 C ATOM 2224 CG TYR B 670 -1.094 9.512 4.143 1.00 0.00 C ATOM 2225 CD1 TYR B 670 -2.470 9.675 4.247 1.00 0.00 C ATOM 2226 CD2 TYR B 670 -0.314 9.798 5.256 1.00 0.00 C ATOM 2227 CE1 TYR B 670 -3.050 10.109 5.424 1.00 0.00 C ATOM 2228 CE2 TYR B 670 -0.885 10.232 6.436 1.00 0.00 C ATOM 2229 CZ TYR B 670 -2.254 10.386 6.515 1.00 0.00 C ATOM 2230 OH TYR B 670 -2.827 10.820 7.689 1.00 0.00 O ATOM 0 H TYR B 670 1.187 8.829 0.957 1.00 0.00 H new ATOM 0 HA TYR B 670 -1.069 10.587 1.491 1.00 0.00 H new ATOM 0 HB2 TYR B 670 -1.140 8.332 2.368 1.00 0.00 H new ATOM 0 HB3 TYR B 670 0.451 8.492 3.084 1.00 0.00 H new ATOM 0 HD1 TYR B 670 -3.096 9.459 3.394 1.00 0.00 H new ATOM 0 HD2 TYR B 670 0.758 9.679 5.198 1.00 0.00 H new ATOM 0 HE1 TYR B 670 -4.121 10.231 5.489 1.00 0.00 H new ATOM 0 HE2 TYR B 670 -0.264 10.450 7.292 1.00 0.00 H new ATOM 0 HH TYR B 670 -2.127 10.969 8.359 1.00 0.00 H new ATOM 2239 N HIS B 671 1.827 10.945 3.065 1.00 0.00 N ATOM 2240 CA HIS B 671 2.661 11.909 3.773 1.00 0.00 C ATOM 2241 C HIS B 671 2.953 13.123 2.895 1.00 0.00 C ATOM 2242 O HIS B 671 3.250 14.207 3.396 1.00 0.00 O ATOM 2243 CB HIS B 671 3.971 11.256 4.213 1.00 0.00 C ATOM 2244 CG HIS B 671 4.472 11.749 5.535 1.00 0.00 C ATOM 2245 ND1 HIS B 671 5.512 11.152 6.217 1.00 0.00 N ATOM 2246 CD2 HIS B 671 4.072 12.791 6.301 1.00 0.00 C ATOM 2247 CE1 HIS B 671 5.727 11.804 7.345 1.00 0.00 C ATOM 2248 NE2 HIS B 671 4.868 12.805 7.420 1.00 0.00 N ATOM 0 H HIS B 671 2.244 10.019 2.966 1.00 0.00 H new ATOM 0 HA HIS B 671 2.117 12.244 4.656 1.00 0.00 H new ATOM 0 HB2 HIS B 671 3.829 10.177 4.267 1.00 0.00 H new ATOM 0 HB3 HIS B 671 4.732 11.440 3.454 1.00 0.00 H new ATOM 0 HD2 HIS B 671 3.275 13.483 6.074 1.00 0.00 H new ATOM 0 HE1 HIS B 671 6.478 11.560 8.082 1.00 0.00 H new ATOM 0 HE2 HIS B 671 4.806 13.478 8.184 1.00 0.00 H new ATOM 2255 N ALA B 672 2.869 12.931 1.583 1.00 0.00 N ATOM 2256 CA ALA B 672 3.124 14.009 0.635 1.00 0.00 C ATOM 2257 C ALA B 672 2.279 15.236 0.960 1.00 0.00 C ATOM 2258 O ALA B 672 2.751 16.369 0.867 1.00 0.00 O ATOM 2259 CB ALA B 672 2.851 13.539 -0.786 1.00 0.00 C ATOM 0 H ALA B 672 2.626 12.039 1.152 1.00 0.00 H new ATOM 0 HA ALA B 672 4.174 14.291 0.717 1.00 0.00 H new ATOM 0 HB1 ALA B 672 3.046 14.354 -1.483 1.00 0.00 H new ATOM 0 HB2 ALA B 672 3.502 12.697 -1.022 1.00 0.00 H new ATOM 0 HB3 ALA B 672 1.810 13.228 -0.873 1.00 0.00 H new ATOM 2265 N MET B 673 1.027 15.002 1.341 1.00 0.00 N ATOM 2266 CA MET B 673 0.117 16.090 1.680 1.00 0.00 C ATOM 2267 C MET B 673 0.741 17.020 2.715 1.00 0.00 C ATOM 2268 O MET B 673 0.521 18.231 2.689 1.00 0.00 O ATOM 2269 CB MET B 673 -1.204 15.531 2.213 1.00 0.00 C ATOM 2270 CG MET B 673 -2.268 16.594 2.438 1.00 0.00 C ATOM 2271 SD MET B 673 -3.940 15.923 2.394 1.00 0.00 S ATOM 2272 CE MET B 673 -3.815 14.622 3.619 1.00 0.00 C ATOM 0 H MET B 673 0.620 14.070 1.423 1.00 0.00 H new ATOM 0 HA MET B 673 -0.077 16.662 0.773 1.00 0.00 H new ATOM 0 HB2 MET B 673 -1.585 14.790 1.510 1.00 0.00 H new ATOM 0 HB3 MET B 673 -1.016 15.012 3.153 1.00 0.00 H new ATOM 0 HG2 MET B 673 -2.099 17.074 3.402 1.00 0.00 H new ATOM 0 HG3 MET B 673 -2.171 17.367 1.676 1.00 0.00 H new ATOM 0 HE1 MET B 673 -4.812 14.255 3.863 1.00 0.00 H new ATOM 0 HE2 MET B 673 -3.214 13.804 3.221 1.00 0.00 H new ATOM 0 HE3 MET B 673 -3.343 15.014 4.520 1.00 0.00 H new