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 64 LYS NZ :NH3+ -131:sc= 0.611 (180deg=-0.117) USER MOD Set 1.2: B 658 GLN : amide:sc= -0.437 K(o=0.17,f=-11!) USER MOD Set 2.1: A 75 ASN : amide:sc= 0.697 K(o=0.73,f=-4.2) USER MOD Set 2.2: B 648 THR OG1 : rot -45:sc= 0.0281 USER MOD Set 3.1: A 66 ASN : amide:sc= -0.0293 X(o=0.65,f=0.68) USER MOD Set 3.2: A 67 THR OG1 : rot 87:sc= 0.678 USER MOD Set 4.1: A 25 MET CE :methyl 149:sc= -1.43 (180deg=-4.25!) USER MOD Set 4.2: B 663 MET CE :methyl -151:sc= -1.5 (180deg=-3.12) USER MOD Single : A 21 LYS NZ :NH3+ -113:sc= -1.01 (180deg=-3.28!) USER MOD Single : A 27 HIS : no HD1:sc= -1.42 X(o=-1.4,f=-1.1) USER MOD Single : A 28 THR OG1 : rot -150:sc= 0.00156 USER MOD Single : A 31 GLN : amide:sc= -0.334 X(o=-0.33,f=-0.44) USER MOD Single : A 52 GLN : amide:sc= -0.201 K(o=-0.2,f=-1.3!) USER MOD Single : A 55 HIS : no HD1:sc= -0.762 K(o=-0.76,f=-0.17) USER MOD Single : A 73 GLN : amide:sc= -0.911 X(o=-0.91,f=-0.53) USER MOD Single : B 622 TYR OH : rot 180:sc= 0 USER MOD Single : B 625 THR OG1 : rot 83:sc= 0.0878 USER MOD Single : B 627 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : B 628 SER OG : rot 180:sc= 0 USER MOD Single : B 637 GLN : amide:sc= -0.635 X(o=-0.64,f=-0.44) USER MOD Single : B 641 GLN : amide:sc= -0.529 X(o=-0.53,f=-0.17) USER MOD Single : B 642 SER OG : rot 180:sc= 0 USER MOD Single : B 645 GLN : amide:sc= -0.254 X(o=-0.25,f=-0.057) USER MOD Single : B 651 THR OG1 : rot 180:sc= 0.00168 USER MOD Single : B 652 TYR OH : rot 180:sc= 0 USER MOD Single : B 653 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 656 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 660 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 661 GLN : amide:sc= -0.0855 X(o=-0.086,f=-0.087) USER MOD Single : B 670 TYR OH : rot 180:sc= 0 USER MOD Single : B 671 HIS : no HD1:sc=-0.00399 X(o=-0.004,f=-0.24) USER MOD Single : B 673 MET CE :methyl 152:sc= -0.0922 (180deg=-1.28) USER MOD ----------------------------------------------------------------- ATOM 222 N ALA A 17 -5.966 -16.869 6.425 1.00 0.00 N ATOM 223 CA ALA A 17 -5.184 -15.876 7.152 1.00 0.00 C ATOM 224 C ALA A 17 -4.875 -14.669 6.272 1.00 0.00 C ATOM 225 O ALA A 17 -4.697 -13.556 6.767 1.00 0.00 O ATOM 226 CB ALA A 17 -3.896 -16.496 7.671 1.00 0.00 C ATOM 0 HA ALA A 17 -5.777 -15.533 8.000 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.322 -15.743 8.212 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -4.134 -17.322 8.341 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -3.307 -16.868 6.832 1.00 0.00 H new ATOM 232 N PHE A 18 -4.812 -14.898 4.964 1.00 0.00 N ATOM 233 CA PHE A 18 -4.522 -13.829 4.014 1.00 0.00 C ATOM 234 C PHE A 18 -5.728 -12.910 3.846 1.00 0.00 C ATOM 235 O PHE A 18 -5.595 -11.686 3.857 1.00 0.00 O ATOM 236 CB PHE A 18 -4.121 -14.416 2.659 1.00 0.00 C ATOM 237 CG PHE A 18 -3.764 -13.377 1.637 1.00 0.00 C ATOM 238 CD1 PHE A 18 -4.740 -12.814 0.831 1.00 0.00 C ATOM 239 CD2 PHE A 18 -2.451 -12.960 1.482 1.00 0.00 C ATOM 240 CE1 PHE A 18 -4.415 -11.856 -0.111 1.00 0.00 C ATOM 241 CE2 PHE A 18 -2.120 -12.003 0.542 1.00 0.00 C ATOM 242 CZ PHE A 18 -3.102 -11.451 -0.256 1.00 0.00 C ATOM 0 H PHE A 18 -4.958 -15.813 4.538 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.692 -13.242 4.407 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.271 -15.084 2.799 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -4.943 -15.022 2.277 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -5.768 -13.128 0.940 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -1.678 -13.388 2.103 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.186 -11.425 -0.732 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.093 -11.687 0.432 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.844 -10.704 -0.992 1.00 0.00 H new ATOM 251 N ALA A 19 -6.904 -13.509 3.689 1.00 0.00 N ATOM 252 CA ALA A 19 -8.134 -12.745 3.519 1.00 0.00 C ATOM 253 C ALA A 19 -8.526 -12.041 4.815 1.00 0.00 C ATOM 254 O ALA A 19 -9.139 -10.974 4.791 1.00 0.00 O ATOM 255 CB ALA A 19 -9.259 -13.654 3.050 1.00 0.00 C ATOM 0 H ALA A 19 -7.031 -14.521 3.676 1.00 0.00 H new ATOM 0 HA ALA A 19 -7.957 -11.983 2.760 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -10.171 -13.070 2.927 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -8.987 -14.107 2.097 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -9.426 -14.437 3.789 1.00 0.00 H new ATOM 261 N ALA A 20 -8.169 -12.646 5.943 1.00 0.00 N ATOM 262 CA ALA A 20 -8.483 -12.076 7.247 1.00 0.00 C ATOM 263 C ALA A 20 -7.968 -10.645 7.359 1.00 0.00 C ATOM 264 O ALA A 20 -8.714 -9.732 7.715 1.00 0.00 O ATOM 265 CB ALA A 20 -7.895 -12.939 8.355 1.00 0.00 C ATOM 0 H ALA A 20 -7.662 -13.530 5.980 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.567 -12.053 7.355 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.137 -12.502 9.324 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.314 -13.943 8.295 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.812 -12.990 8.240 1.00 0.00 H new ATOM 271 N LYS A 21 -6.688 -10.456 7.054 1.00 0.00 N ATOM 272 CA LYS A 21 -6.073 -9.136 7.120 1.00 0.00 C ATOM 273 C LYS A 21 -6.495 -8.279 5.931 1.00 0.00 C ATOM 274 O LYS A 21 -6.464 -7.050 5.996 1.00 0.00 O ATOM 275 CB LYS A 21 -4.548 -9.263 7.155 1.00 0.00 C ATOM 276 CG LYS A 21 -3.978 -10.067 5.999 1.00 0.00 C ATOM 277 CD LYS A 21 -2.460 -10.125 6.055 1.00 0.00 C ATOM 278 CE LYS A 21 -1.973 -10.665 7.391 1.00 0.00 C ATOM 279 NZ LYS A 21 -0.489 -10.782 7.433 1.00 0.00 N ATOM 0 H LYS A 21 -6.057 -11.201 6.759 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.412 -8.650 8.034 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.108 -8.266 7.145 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.252 -9.732 8.093 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.383 -11.079 6.024 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.291 -9.621 5.055 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.089 -10.757 5.248 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.050 -9.128 5.893 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.308 -10.007 8.193 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.420 -11.642 7.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.221 -11.786 7.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.083 -10.356 6.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.125 -10.286 8.272 1.00 0.00 H new ATOM 289 N ALA A 22 -6.892 -8.935 4.845 1.00 0.00 N ATOM 290 CA ALA A 22 -7.324 -8.234 3.643 1.00 0.00 C ATOM 291 C ALA A 22 -8.429 -7.233 3.959 1.00 0.00 C ATOM 292 O ALA A 22 -8.393 -6.088 3.508 1.00 0.00 O ATOM 293 CB ALA A 22 -7.794 -9.227 2.591 1.00 0.00 C ATOM 0 H ALA A 22 -6.923 -9.952 4.774 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.471 -7.682 3.249 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -8.114 -8.688 1.699 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.976 -9.900 2.335 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.630 -9.805 2.984 1.00 0.00 H new ATOM 299 N GLY A 23 -9.414 -7.671 4.737 1.00 0.00 N ATOM 300 CA GLY A 23 -10.518 -6.802 5.100 1.00 0.00 C ATOM 301 C GLY A 23 -10.099 -5.702 6.056 1.00 0.00 C ATOM 302 O GLY A 23 -10.635 -4.594 6.012 1.00 0.00 O ATOM 0 H GLY A 23 -9.467 -8.614 5.123 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.937 -6.356 4.198 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.309 -7.396 5.558 1.00 0.00 H new ATOM 306 N LEU A 24 -9.141 -6.008 6.924 1.00 0.00 N ATOM 307 CA LEU A 24 -8.652 -5.038 7.897 1.00 0.00 C ATOM 308 C LEU A 24 -7.861 -3.929 7.211 1.00 0.00 C ATOM 309 O LEU A 24 -7.745 -2.821 7.734 1.00 0.00 O ATOM 310 CB LEU A 24 -7.778 -5.731 8.943 1.00 0.00 C ATOM 311 CG LEU A 24 -7.476 -4.925 10.207 1.00 0.00 C ATOM 312 CD1 LEU A 24 -8.460 -5.276 11.312 1.00 0.00 C ATOM 313 CD2 LEU A 24 -6.046 -5.171 10.667 1.00 0.00 C ATOM 0 H LEU A 24 -8.688 -6.920 6.974 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.514 -4.591 8.392 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.266 -6.660 9.237 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.832 -6.002 8.475 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.585 -3.866 9.974 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.229 -4.693 12.203 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -9.474 -5.049 10.982 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -8.383 -6.338 11.544 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.848 -4.590 11.568 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.910 -6.231 10.882 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.354 -4.869 9.881 1.00 0.00 H new ATOM 324 N MET A 25 -7.320 -4.235 6.036 1.00 0.00 N ATOM 325 CA MET A 25 -6.543 -3.264 5.276 1.00 0.00 C ATOM 326 C MET A 25 -7.381 -2.031 4.953 1.00 0.00 C ATOM 327 O MET A 25 -7.003 -0.907 5.285 1.00 0.00 O ATOM 328 CB MET A 25 -6.021 -3.895 3.984 1.00 0.00 C ATOM 329 CG MET A 25 -5.383 -2.894 3.034 1.00 0.00 C ATOM 330 SD MET A 25 -3.777 -3.444 2.423 1.00 0.00 S ATOM 331 CE MET A 25 -2.677 -2.580 3.541 1.00 0.00 C ATOM 0 H MET A 25 -7.406 -5.148 5.590 1.00 0.00 H new ATOM 0 HA MET A 25 -5.695 -2.955 5.888 1.00 0.00 H new ATOM 0 HB2 MET A 25 -5.290 -4.663 4.234 1.00 0.00 H new ATOM 0 HB3 MET A 25 -6.845 -4.394 3.474 1.00 0.00 H new ATOM 0 HG2 MET A 25 -6.050 -2.724 2.189 1.00 0.00 H new ATOM 0 HG3 MET A 25 -5.266 -1.938 3.544 1.00 0.00 H new ATOM 0 HE1 MET A 25 -1.773 -3.171 3.691 1.00 0.00 H new ATOM 0 HE2 MET A 25 -2.411 -1.613 3.115 1.00 0.00 H new ATOM 0 HE3 MET A 25 -3.176 -2.430 4.498 1.00 0.00 H new ATOM 339 N ARG A 26 -8.520 -2.249 4.303 1.00 0.00 N ATOM 340 CA ARG A 26 -9.409 -1.155 3.933 1.00 0.00 C ATOM 341 C ARG A 26 -9.806 -0.339 5.160 1.00 0.00 C ATOM 342 O ARG A 26 -10.137 0.842 5.052 1.00 0.00 O ATOM 343 CB ARG A 26 -10.661 -1.699 3.241 1.00 0.00 C ATOM 344 CG ARG A 26 -10.371 -2.415 1.933 1.00 0.00 C ATOM 345 CD ARG A 26 -10.947 -1.659 0.745 1.00 0.00 C ATOM 346 NE ARG A 26 -12.224 -2.217 0.308 1.00 0.00 N ATOM 347 CZ ARG A 26 -13.012 -1.634 -0.588 1.00 0.00 C ATOM 348 NH1 ARG A 26 -12.656 -0.482 -1.140 1.00 0.00 N ATOM 349 NH2 ARG A 26 -14.158 -2.204 -0.935 1.00 0.00 N ATOM 0 H ARG A 26 -8.848 -3.173 4.022 1.00 0.00 H new ATOM 0 HA ARG A 26 -8.875 -0.503 3.242 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -11.170 -2.387 3.917 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -11.347 -0.874 3.050 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -9.294 -2.525 1.808 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -10.792 -3.420 1.966 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -11.082 -0.611 1.013 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -10.237 -1.688 -0.082 1.00 0.00 H new ATOM 0 HE ARG A 26 -12.527 -3.103 0.713 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -11.775 -0.041 -0.877 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -13.263 -0.037 -1.828 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -14.435 -3.091 -0.514 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -14.763 -1.756 -1.623 1.00 0.00 H new ATOM 360 N HIS A 27 -9.772 -0.978 6.325 1.00 0.00 N ATOM 361 CA HIS A 27 -10.128 -0.311 7.573 1.00 0.00 C ATOM 362 C HIS A 27 -8.986 0.576 8.060 1.00 0.00 C ATOM 363 O HIS A 27 -9.206 1.551 8.779 1.00 0.00 O ATOM 364 CB HIS A 27 -10.480 -1.344 8.644 1.00 0.00 C ATOM 365 CG HIS A 27 -10.673 -0.751 10.007 1.00 0.00 C ATOM 366 ND1 HIS A 27 -11.346 0.433 10.223 1.00 0.00 N ATOM 367 CD2 HIS A 27 -10.281 -1.187 11.225 1.00 0.00 C ATOM 368 CE1 HIS A 27 -11.356 0.700 11.517 1.00 0.00 C ATOM 369 NE2 HIS A 27 -10.716 -0.268 12.147 1.00 0.00 N ATOM 0 H HIS A 27 -9.502 -1.956 6.431 1.00 0.00 H new ATOM 0 HA HIS A 27 -10.998 0.318 7.385 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -11.392 -1.864 8.350 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -9.688 -2.091 8.691 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -9.728 -2.091 11.434 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -11.810 1.563 11.981 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -10.569 -0.324 13.155 1.00 0.00 H new ATOM 376 N THR A 28 -7.765 0.230 7.665 1.00 0.00 N ATOM 377 CA THR A 28 -6.589 0.994 8.063 1.00 0.00 C ATOM 378 C THR A 28 -6.536 2.337 7.345 1.00 0.00 C ATOM 379 O THR A 28 -6.269 3.370 7.960 1.00 0.00 O ATOM 380 CB THR A 28 -5.291 0.217 7.772 1.00 0.00 C ATOM 381 OG1 THR A 28 -5.496 -1.182 7.994 1.00 0.00 O ATOM 382 CG2 THR A 28 -4.154 0.714 8.653 1.00 0.00 C ATOM 0 H THR A 28 -7.565 -0.574 7.070 1.00 0.00 H new ATOM 0 HA THR A 28 -6.670 1.163 9.137 1.00 0.00 H new ATOM 0 HB THR A 28 -5.021 0.383 6.729 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.654 -1.595 8.277 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.248 0.151 8.430 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.980 1.773 8.460 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.419 0.575 9.701 1.00 0.00 H new ATOM 390 N ILE A 29 -6.794 2.316 6.042 1.00 0.00 N ATOM 391 CA ILE A 29 -6.776 3.534 5.240 1.00 0.00 C ATOM 392 C ILE A 29 -7.997 4.401 5.533 1.00 0.00 C ATOM 393 O ILE A 29 -7.880 5.610 5.727 1.00 0.00 O ATOM 394 CB ILE A 29 -6.735 3.216 3.734 1.00 0.00 C ATOM 395 CG1 ILE A 29 -5.443 2.478 3.381 1.00 0.00 C ATOM 396 CG2 ILE A 29 -6.862 4.495 2.919 1.00 0.00 C ATOM 397 CD1 ILE A 29 -5.518 0.985 3.607 1.00 0.00 C ATOM 0 H ILE A 29 -7.018 1.470 5.519 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.872 4.079 5.512 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.578 2.569 3.491 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.200 2.667 2.335 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.627 2.887 3.976 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -6.831 4.254 1.856 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -7.808 4.983 3.153 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.038 5.165 3.163 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.567 0.528 3.335 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.729 0.786 4.658 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.312 0.563 2.991 1.00 0.00 H new ATOM 408 N GLY A 30 -9.168 3.773 5.565 1.00 0.00 N ATOM 409 CA GLY A 30 -10.393 4.502 5.836 1.00 0.00 C ATOM 410 C GLY A 30 -10.317 5.307 7.118 1.00 0.00 C ATOM 411 O GLY A 30 -10.711 6.472 7.151 1.00 0.00 O ATOM 0 H GLY A 30 -9.290 2.773 5.408 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.606 5.171 5.002 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.224 3.799 5.901 1.00 0.00 H new ATOM 415 N GLN A 31 -9.810 4.683 8.177 1.00 0.00 N ATOM 416 CA GLN A 31 -9.687 5.349 9.468 1.00 0.00 C ATOM 417 C GLN A 31 -8.561 6.378 9.445 1.00 0.00 C ATOM 418 O GLN A 31 -8.649 7.423 10.088 1.00 0.00 O ATOM 419 CB GLN A 31 -9.432 4.322 10.573 1.00 0.00 C ATOM 420 CG GLN A 31 -10.702 3.820 11.241 1.00 0.00 C ATOM 421 CD GLN A 31 -11.489 4.930 11.909 1.00 0.00 C ATOM 422 OE1 GLN A 31 -10.926 5.766 12.616 1.00 0.00 O ATOM 423 NE2 GLN A 31 -12.798 4.944 11.690 1.00 0.00 N ATOM 0 H GLN A 31 -9.478 3.718 8.166 1.00 0.00 H new ATOM 0 HA GLN A 31 -10.624 5.867 9.672 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.893 3.473 10.152 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.785 4.767 11.329 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -11.331 3.332 10.496 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.443 3.066 11.984 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -13.224 4.232 11.097 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -13.378 5.667 12.115 1.00 0.00 H new ATOM 430 N ALA A 32 -7.503 6.073 8.700 1.00 0.00 N ATOM 431 CA ALA A 32 -6.361 6.972 8.592 1.00 0.00 C ATOM 432 C ALA A 32 -6.753 8.279 7.913 1.00 0.00 C ATOM 433 O ALA A 32 -6.431 9.362 8.400 1.00 0.00 O ATOM 434 CB ALA A 32 -5.229 6.298 7.829 1.00 0.00 C ATOM 0 H ALA A 32 -7.414 5.211 8.163 1.00 0.00 H new ATOM 0 HA ALA A 32 -6.018 7.205 9.600 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.382 6.981 7.756 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.922 5.395 8.356 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.571 6.035 6.828 1.00 0.00 H new ATOM 440 N GLU A 33 -7.449 8.170 6.785 1.00 0.00 N ATOM 441 CA GLU A 33 -7.884 9.345 6.040 1.00 0.00 C ATOM 442 C GLU A 33 -8.765 10.243 6.904 1.00 0.00 C ATOM 443 O GLU A 33 -8.754 11.465 6.758 1.00 0.00 O ATOM 444 CB GLU A 33 -8.645 8.925 4.781 1.00 0.00 C ATOM 445 CG GLU A 33 -8.109 9.556 3.506 1.00 0.00 C ATOM 446 CD GLU A 33 -6.767 8.983 3.092 1.00 0.00 C ATOM 447 OE1 GLU A 33 -5.862 8.911 3.949 1.00 0.00 O ATOM 448 OE2 GLU A 33 -6.622 8.607 1.910 1.00 0.00 O ATOM 0 H GLU A 33 -7.723 7.280 6.368 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.997 9.908 5.749 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -8.601 7.840 4.685 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.695 9.193 4.895 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.828 9.406 2.701 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.012 10.632 3.650 1.00 0.00 H new ATOM 658 N PHE A 51 -2.472 20.486 -0.441 1.00 0.00 N ATOM 659 CA PHE A 51 -2.980 19.298 0.236 1.00 0.00 C ATOM 660 C PHE A 51 -3.775 18.421 -0.727 1.00 0.00 C ATOM 661 O PHE A 51 -3.756 17.195 -0.625 1.00 0.00 O ATOM 662 CB PHE A 51 -3.859 19.698 1.424 1.00 0.00 C ATOM 663 CG PHE A 51 -4.571 18.538 2.059 1.00 0.00 C ATOM 664 CD1 PHE A 51 -5.811 18.130 1.593 1.00 0.00 C ATOM 665 CD2 PHE A 51 -4.001 17.856 3.122 1.00 0.00 C ATOM 666 CE1 PHE A 51 -6.469 17.064 2.176 1.00 0.00 C ATOM 667 CE2 PHE A 51 -4.655 16.788 3.709 1.00 0.00 C ATOM 668 CZ PHE A 51 -5.890 16.391 3.235 1.00 0.00 C ATOM 0 HA PHE A 51 -2.127 18.726 0.601 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -3.240 20.189 2.175 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -4.596 20.428 1.091 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -6.268 18.651 0.765 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -3.035 18.162 3.496 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -7.435 16.757 1.804 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -4.200 16.265 4.537 1.00 0.00 H new ATOM 0 HZ PHE A 51 -6.402 15.557 3.691 1.00 0.00 H new ATOM 677 N GLN A 52 -4.474 19.060 -1.660 1.00 0.00 N ATOM 678 CA GLN A 52 -5.277 18.338 -2.640 1.00 0.00 C ATOM 679 C GLN A 52 -4.413 17.376 -3.449 1.00 0.00 C ATOM 680 O GLN A 52 -4.712 16.187 -3.541 1.00 0.00 O ATOM 681 CB GLN A 52 -5.981 19.322 -3.577 1.00 0.00 C ATOM 682 CG GLN A 52 -6.622 18.658 -4.784 1.00 0.00 C ATOM 683 CD GLN A 52 -8.065 19.078 -4.983 1.00 0.00 C ATOM 684 OE1 GLN A 52 -8.492 20.127 -4.499 1.00 0.00 O ATOM 685 NE2 GLN A 52 -8.827 18.259 -5.699 1.00 0.00 N ATOM 0 H GLN A 52 -4.500 20.075 -1.758 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.027 17.758 -2.102 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -6.748 19.858 -3.018 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -5.260 20.063 -3.921 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -6.049 18.906 -5.677 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -6.576 17.575 -4.666 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.433 17.400 -6.082 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -9.806 18.489 -5.866 1.00 0.00 H new ATOM 692 N ALA A 53 -3.341 17.900 -4.034 1.00 0.00 N ATOM 693 CA ALA A 53 -2.433 17.089 -4.834 1.00 0.00 C ATOM 694 C ALA A 53 -1.983 15.850 -4.066 1.00 0.00 C ATOM 695 O ALA A 53 -2.114 14.727 -4.550 1.00 0.00 O ATOM 696 CB ALA A 53 -1.228 17.912 -5.265 1.00 0.00 C ATOM 0 H ALA A 53 -3.080 18.884 -3.968 1.00 0.00 H new ATOM 0 HA ALA A 53 -2.969 16.759 -5.724 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.559 17.292 -5.862 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.562 18.762 -5.860 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.699 18.272 -4.383 1.00 0.00 H new ATOM 702 N ALA A 54 -1.452 16.064 -2.866 1.00 0.00 N ATOM 703 CA ALA A 54 -0.983 14.965 -2.031 1.00 0.00 C ATOM 704 C ALA A 54 -2.128 14.024 -1.670 1.00 0.00 C ATOM 705 O ALA A 54 -1.953 12.806 -1.627 1.00 0.00 O ATOM 706 CB ALA A 54 -0.323 15.504 -0.771 1.00 0.00 C ATOM 0 H ALA A 54 -1.336 16.988 -2.451 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.246 14.398 -2.599 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.022 14.672 -0.157 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.526 16.130 -1.044 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.044 16.096 -0.207 1.00 0.00 H new ATOM 712 N HIS A 55 -3.299 14.596 -1.410 1.00 0.00 N ATOM 713 CA HIS A 55 -4.472 13.808 -1.052 1.00 0.00 C ATOM 714 C HIS A 55 -4.908 12.923 -2.217 1.00 0.00 C ATOM 715 O HIS A 55 -5.359 11.796 -2.017 1.00 0.00 O ATOM 716 CB HIS A 55 -5.622 14.725 -0.634 1.00 0.00 C ATOM 717 CG HIS A 55 -6.883 13.991 -0.299 1.00 0.00 C ATOM 718 ND1 HIS A 55 -7.365 13.873 0.988 1.00 0.00 N ATOM 719 CD2 HIS A 55 -7.763 13.335 -1.090 1.00 0.00 C ATOM 720 CE1 HIS A 55 -8.486 13.175 0.974 1.00 0.00 C ATOM 721 NE2 HIS A 55 -8.751 12.837 -0.276 1.00 0.00 N ATOM 0 H HIS A 55 -3.461 15.603 -1.441 1.00 0.00 H new ATOM 0 HA HIS A 55 -4.206 13.167 -0.211 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -5.312 15.311 0.231 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -5.825 15.430 -1.440 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -7.700 13.224 -2.162 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -9.084 12.923 1.837 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -9.558 12.295 -0.586 1.00 0.00 H new ATOM 728 N ALA A 56 -4.771 13.443 -3.431 1.00 0.00 N ATOM 729 CA ALA A 56 -5.149 12.700 -4.627 1.00 0.00 C ATOM 730 C ALA A 56 -4.163 11.572 -4.908 1.00 0.00 C ATOM 731 O ALA A 56 -4.534 10.531 -5.451 1.00 0.00 O ATOM 732 CB ALA A 56 -5.239 13.636 -5.823 1.00 0.00 C ATOM 0 H ALA A 56 -4.401 14.376 -3.613 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.129 12.255 -4.453 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.522 13.068 -6.709 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.989 14.403 -5.629 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.271 14.108 -5.989 1.00 0.00 H new ATOM 738 N ARG A 57 -2.906 11.785 -4.536 1.00 0.00 N ATOM 739 CA ARG A 57 -1.865 10.786 -4.749 1.00 0.00 C ATOM 740 C ARG A 57 -2.148 9.524 -3.938 1.00 0.00 C ATOM 741 O ARG A 57 -1.938 8.409 -4.414 1.00 0.00 O ATOM 742 CB ARG A 57 -0.497 11.354 -4.366 1.00 0.00 C ATOM 743 CG ARG A 57 0.091 12.284 -5.416 1.00 0.00 C ATOM 744 CD ARG A 57 1.578 12.507 -5.191 1.00 0.00 C ATOM 745 NE ARG A 57 2.389 11.879 -6.231 1.00 0.00 N ATOM 746 CZ ARG A 57 3.682 11.609 -6.092 1.00 0.00 C ATOM 747 NH1 ARG A 57 4.308 11.909 -4.962 1.00 0.00 N ATOM 748 NH2 ARG A 57 4.351 11.036 -7.084 1.00 0.00 N ATOM 0 H ARG A 57 -2.583 12.641 -4.085 1.00 0.00 H new ATOM 0 HA ARG A 57 -1.859 10.524 -5.807 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -0.588 11.895 -3.424 1.00 0.00 H new ATOM 0 HB3 ARG A 57 0.195 10.529 -4.195 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.069 11.862 -6.408 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -0.430 13.241 -5.389 1.00 0.00 H new ATOM 0 HD2 ARG A 57 1.785 13.577 -5.167 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.862 12.106 -4.218 1.00 0.00 H new ATOM 0 HE ARG A 57 1.938 11.634 -7.112 1.00 0.00 H new ATOM 0 HH11 ARG A 57 3.796 12.348 -4.197 1.00 0.00 H new ATOM 0 HH12 ARG A 57 5.301 11.700 -4.858 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.872 10.803 -7.954 1.00 0.00 H new ATOM 0 HH22 ARG A 57 5.344 10.829 -6.977 1.00 0.00 H new ATOM 759 N PHE A 58 -2.627 9.710 -2.713 1.00 0.00 N ATOM 760 CA PHE A 58 -2.937 8.587 -1.836 1.00 0.00 C ATOM 761 C PHE A 58 -4.078 7.749 -2.408 1.00 0.00 C ATOM 762 O PHE A 58 -3.945 6.539 -2.588 1.00 0.00 O ATOM 763 CB PHE A 58 -3.309 9.090 -0.440 1.00 0.00 C ATOM 764 CG PHE A 58 -3.215 8.034 0.623 1.00 0.00 C ATOM 765 CD1 PHE A 58 -4.050 6.929 0.597 1.00 0.00 C ATOM 766 CD2 PHE A 58 -2.289 8.145 1.649 1.00 0.00 C ATOM 767 CE1 PHE A 58 -3.965 5.956 1.574 1.00 0.00 C ATOM 768 CE2 PHE A 58 -2.200 7.175 2.629 1.00 0.00 C ATOM 769 CZ PHE A 58 -3.038 6.078 2.591 1.00 0.00 C ATOM 0 H PHE A 58 -2.809 10.627 -2.305 1.00 0.00 H new ATOM 0 HA PHE A 58 -2.049 7.959 -1.764 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.654 9.920 -0.175 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.326 9.482 -0.463 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -4.776 6.827 -0.196 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.630 9.000 1.683 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -4.623 5.100 1.543 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -1.476 7.275 3.424 1.00 0.00 H new ATOM 0 HZ PHE A 58 -2.969 5.317 3.355 1.00 0.00 H new ATOM 778 N VAL A 59 -5.200 8.404 -2.690 1.00 0.00 N ATOM 779 CA VAL A 59 -6.365 7.722 -3.241 1.00 0.00 C ATOM 780 C VAL A 59 -6.031 7.051 -4.569 1.00 0.00 C ATOM 781 O VAL A 59 -6.573 5.995 -4.897 1.00 0.00 O ATOM 782 CB VAL A 59 -7.539 8.696 -3.452 1.00 0.00 C ATOM 783 CG1 VAL A 59 -7.083 9.923 -4.228 1.00 0.00 C ATOM 784 CG2 VAL A 59 -8.687 8.000 -4.166 1.00 0.00 C ATOM 0 H VAL A 59 -5.327 9.406 -2.546 1.00 0.00 H new ATOM 0 HA VAL A 59 -6.659 6.963 -2.516 1.00 0.00 H new ATOM 0 HB VAL A 59 -7.895 9.025 -2.476 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -7.926 10.600 -4.367 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.296 10.433 -3.672 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.699 9.616 -5.201 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.508 8.703 -4.307 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -8.347 7.640 -5.137 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.030 7.157 -3.567 1.00 0.00 H new ATOM 794 N ALA A 60 -5.135 7.671 -5.331 1.00 0.00 N ATOM 795 CA ALA A 60 -4.726 7.133 -6.622 1.00 0.00 C ATOM 796 C ALA A 60 -3.957 5.827 -6.455 1.00 0.00 C ATOM 797 O ALA A 60 -4.080 4.914 -7.271 1.00 0.00 O ATOM 798 CB ALA A 60 -3.883 8.151 -7.375 1.00 0.00 C ATOM 0 H ALA A 60 -4.679 8.547 -5.076 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.625 6.923 -7.201 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.585 7.736 -8.338 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.466 9.058 -7.536 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.994 8.390 -6.792 1.00 0.00 H new ATOM 804 N ALA A 61 -3.164 5.745 -5.391 1.00 0.00 N ATOM 805 CA ALA A 61 -2.377 4.550 -5.116 1.00 0.00 C ATOM 806 C ALA A 61 -3.234 3.461 -4.480 1.00 0.00 C ATOM 807 O ALA A 61 -3.064 2.276 -4.767 1.00 0.00 O ATOM 808 CB ALA A 61 -1.200 4.890 -4.214 1.00 0.00 C ATOM 0 H ALA A 61 -3.050 6.492 -4.706 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.998 4.170 -6.064 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.621 3.988 -4.017 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -0.566 5.628 -4.706 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -1.569 5.298 -3.273 1.00 0.00 H new ATOM 814 N ALA A 62 -4.156 3.870 -3.614 1.00 0.00 N ATOM 815 CA ALA A 62 -5.041 2.929 -2.939 1.00 0.00 C ATOM 816 C ALA A 62 -5.718 1.997 -3.939 1.00 0.00 C ATOM 817 O ALA A 62 -5.950 0.824 -3.649 1.00 0.00 O ATOM 818 CB ALA A 62 -6.085 3.679 -2.124 1.00 0.00 C ATOM 0 H ALA A 62 -4.309 4.847 -3.364 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.438 2.320 -2.266 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.739 2.964 -1.625 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.588 4.298 -1.377 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.677 4.312 -2.785 1.00 0.00 H new ATOM 824 N ALA A 63 -6.030 2.527 -5.118 1.00 0.00 N ATOM 825 CA ALA A 63 -6.679 1.742 -6.161 1.00 0.00 C ATOM 826 C ALA A 63 -5.857 0.504 -6.505 1.00 0.00 C ATOM 827 O ALA A 63 -6.407 -0.537 -6.866 1.00 0.00 O ATOM 828 CB ALA A 63 -6.899 2.594 -7.401 1.00 0.00 C ATOM 0 H ALA A 63 -5.844 3.497 -5.374 1.00 0.00 H new ATOM 0 HA ALA A 63 -7.647 1.411 -5.785 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.384 1.996 -8.172 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -7.532 3.445 -7.150 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.939 2.953 -7.771 1.00 0.00 H new ATOM 834 N LYS A 64 -4.539 0.624 -6.394 1.00 0.00 N ATOM 835 CA LYS A 64 -3.641 -0.485 -6.694 1.00 0.00 C ATOM 836 C LYS A 64 -3.700 -1.544 -5.597 1.00 0.00 C ATOM 837 O LYS A 64 -3.680 -2.743 -5.876 1.00 0.00 O ATOM 838 CB LYS A 64 -2.206 0.021 -6.851 1.00 0.00 C ATOM 839 CG LYS A 64 -1.538 -0.435 -8.136 1.00 0.00 C ATOM 840 CD LYS A 64 -1.615 -1.944 -8.299 1.00 0.00 C ATOM 841 CE LYS A 64 -0.533 -2.459 -9.236 1.00 0.00 C ATOM 842 NZ LYS A 64 -0.643 -1.857 -10.594 1.00 0.00 N ATOM 0 H LYS A 64 -4.068 1.479 -6.098 1.00 0.00 H new ATOM 0 HA LYS A 64 -3.964 -0.938 -7.631 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -2.208 1.111 -6.819 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.614 -0.321 -6.002 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -2.017 0.049 -8.988 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.494 -0.121 -8.136 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.512 -2.422 -7.325 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -2.596 -2.220 -8.687 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.448 -2.234 -8.817 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.605 -3.544 -9.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.601 -2.609 -11.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.547 -1.349 -10.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 0.142 -1.192 -10.744 1.00 0.00 H new ATOM 852 N VAL A 65 -3.774 -1.093 -4.348 1.00 0.00 N ATOM 853 CA VAL A 65 -3.839 -2.002 -3.210 1.00 0.00 C ATOM 854 C VAL A 65 -5.147 -2.785 -3.204 1.00 0.00 C ATOM 855 O VAL A 65 -5.154 -3.998 -3.005 1.00 0.00 O ATOM 856 CB VAL A 65 -3.702 -1.242 -1.877 1.00 0.00 C ATOM 857 CG1 VAL A 65 -3.476 -2.214 -0.728 1.00 0.00 C ATOM 858 CG2 VAL A 65 -2.573 -0.226 -1.956 1.00 0.00 C ATOM 0 H VAL A 65 -3.790 -0.104 -4.099 1.00 0.00 H new ATOM 0 HA VAL A 65 -3.005 -2.696 -3.312 1.00 0.00 H new ATOM 0 HB VAL A 65 -4.631 -0.704 -1.689 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.382 -1.659 0.205 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.321 -2.899 -0.659 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.563 -2.782 -0.906 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.491 0.301 -1.006 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.635 -0.740 -2.168 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -2.782 0.490 -2.751 1.00 0.00 H new ATOM 868 N ASN A 66 -6.252 -2.080 -3.427 1.00 0.00 N ATOM 869 CA ASN A 66 -7.567 -2.710 -3.448 1.00 0.00 C ATOM 870 C ASN A 66 -7.652 -3.755 -4.556 1.00 0.00 C ATOM 871 O ASN A 66 -8.190 -4.845 -4.357 1.00 0.00 O ATOM 872 CB ASN A 66 -8.658 -1.654 -3.642 1.00 0.00 C ATOM 873 CG ASN A 66 -9.895 -2.218 -4.313 1.00 0.00 C ATOM 874 OD1 ASN A 66 -10.774 -2.773 -3.652 1.00 0.00 O ATOM 875 ND2 ASN A 66 -9.970 -2.077 -5.631 1.00 0.00 N ATOM 0 H ASN A 66 -6.263 -1.074 -3.595 1.00 0.00 H new ATOM 0 HA ASN A 66 -7.719 -3.209 -2.491 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -8.932 -1.236 -2.673 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -8.264 -0.834 -4.243 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -10.780 -2.436 -6.137 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -9.218 -1.610 -6.138 1.00 0.00 H new ATOM 881 N THR A 67 -7.119 -3.416 -5.724 1.00 0.00 N ATOM 882 CA THR A 67 -7.134 -4.323 -6.865 1.00 0.00 C ATOM 883 C THR A 67 -6.180 -5.492 -6.650 1.00 0.00 C ATOM 884 O THR A 67 -6.447 -6.613 -7.085 1.00 0.00 O ATOM 885 CB THR A 67 -6.753 -3.595 -8.167 1.00 0.00 C ATOM 886 OG1 THR A 67 -7.705 -2.565 -8.451 1.00 0.00 O ATOM 887 CG2 THR A 67 -6.690 -4.570 -9.333 1.00 0.00 C ATOM 0 H THR A 67 -6.670 -2.518 -5.906 1.00 0.00 H new ATOM 0 HA THR A 67 -8.152 -4.701 -6.955 1.00 0.00 H new ATOM 0 HB THR A 67 -5.767 -3.149 -8.032 1.00 0.00 H new ATOM 0 HG1 THR A 67 -7.445 -1.742 -7.986 1.00 0.00 H new ATOM 0 HG21 THR A 67 -6.419 -4.033 -10.242 1.00 0.00 H new ATOM 0 HG22 THR A 67 -5.942 -5.336 -9.127 1.00 0.00 H new ATOM 0 HG23 THR A 67 -7.664 -5.041 -9.466 1.00 0.00 H new ATOM 895 N LEU A 68 -5.065 -5.225 -5.977 1.00 0.00 N ATOM 896 CA LEU A 68 -4.070 -6.255 -5.704 1.00 0.00 C ATOM 897 C LEU A 68 -4.533 -7.174 -4.577 1.00 0.00 C ATOM 898 O LEU A 68 -4.131 -8.336 -4.504 1.00 0.00 O ATOM 899 CB LEU A 68 -2.731 -5.614 -5.338 1.00 0.00 C ATOM 900 CG LEU A 68 -1.898 -5.085 -6.506 1.00 0.00 C ATOM 901 CD1 LEU A 68 -0.611 -4.453 -6.001 1.00 0.00 C ATOM 902 CD2 LEU A 68 -1.596 -6.201 -7.495 1.00 0.00 C ATOM 0 H LEU A 68 -4.828 -4.303 -5.611 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.944 -6.853 -6.607 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.922 -4.789 -4.651 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.135 -6.349 -4.797 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.476 -4.318 -7.021 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -0.031 -4.082 -6.847 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.850 -3.625 -5.334 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.028 -5.198 -5.460 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.002 -5.806 -8.319 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.038 -6.991 -6.993 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.531 -6.606 -7.883 1.00 0.00 H new ATOM 913 N LEU A 69 -5.382 -6.646 -3.701 1.00 0.00 N ATOM 914 CA LEU A 69 -5.902 -7.419 -2.579 1.00 0.00 C ATOM 915 C LEU A 69 -6.918 -8.453 -3.053 1.00 0.00 C ATOM 916 O LEU A 69 -7.065 -9.516 -2.450 1.00 0.00 O ATOM 917 CB LEU A 69 -6.545 -6.489 -1.549 1.00 0.00 C ATOM 918 CG LEU A 69 -5.690 -6.143 -0.330 1.00 0.00 C ATOM 919 CD1 LEU A 69 -6.431 -5.181 0.586 1.00 0.00 C ATOM 920 CD2 LEU A 69 -5.300 -7.407 0.424 1.00 0.00 C ATOM 0 H LEU A 69 -5.724 -5.686 -3.747 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.068 -7.945 -2.114 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.821 -5.561 -2.050 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.469 -6.950 -1.200 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.779 -5.654 -0.676 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.807 -4.946 1.448 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.659 -4.264 0.043 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.359 -5.643 0.924 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.692 -7.142 1.289 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.200 -7.924 0.758 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.729 -8.062 -0.234 1.00 0.00 H new ATOM 931 N ASP A 70 -7.616 -8.133 -4.138 1.00 0.00 N ATOM 932 CA ASP A 70 -8.616 -9.036 -4.696 1.00 0.00 C ATOM 933 C ASP A 70 -7.958 -10.125 -5.535 1.00 0.00 C ATOM 934 O ASP A 70 -8.180 -11.316 -5.311 1.00 0.00 O ATOM 935 CB ASP A 70 -9.620 -8.256 -5.547 1.00 0.00 C ATOM 936 CG ASP A 70 -11.056 -8.535 -5.151 1.00 0.00 C ATOM 937 OD1 ASP A 70 -11.358 -9.692 -4.788 1.00 0.00 O ATOM 938 OD2 ASP A 70 -11.879 -7.598 -5.202 1.00 0.00 O ATOM 0 H ASP A 70 -7.508 -7.256 -4.648 1.00 0.00 H new ATOM 0 HA ASP A 70 -9.143 -9.510 -3.868 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -9.421 -7.189 -5.451 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -9.479 -8.514 -6.597 1.00 0.00 H new ATOM 942 N VAL A 71 -7.147 -9.711 -6.504 1.00 0.00 N ATOM 943 CA VAL A 71 -6.456 -10.652 -7.377 1.00 0.00 C ATOM 944 C VAL A 71 -5.634 -11.649 -6.569 1.00 0.00 C ATOM 945 O VAL A 71 -5.505 -12.814 -6.948 1.00 0.00 O ATOM 946 CB VAL A 71 -5.527 -9.921 -8.367 1.00 0.00 C ATOM 947 CG1 VAL A 71 -6.327 -8.970 -9.245 1.00 0.00 C ATOM 948 CG2 VAL A 71 -4.432 -9.176 -7.618 1.00 0.00 C ATOM 0 H VAL A 71 -6.953 -8.730 -6.704 1.00 0.00 H new ATOM 0 HA VAL A 71 -7.223 -11.187 -7.937 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.054 -10.662 -9.012 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -5.656 -8.463 -9.938 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -7.071 -9.534 -9.808 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -6.828 -8.232 -8.619 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -3.785 -8.666 -8.332 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -4.883 -8.443 -6.949 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.842 -9.884 -7.036 1.00 0.00 H new ATOM 958 N ALA A 72 -5.080 -11.186 -5.454 1.00 0.00 N ATOM 959 CA ALA A 72 -4.272 -12.039 -4.590 1.00 0.00 C ATOM 960 C ALA A 72 -5.049 -13.280 -4.164 1.00 0.00 C ATOM 961 O ALA A 72 -4.518 -14.391 -4.178 1.00 0.00 O ATOM 962 CB ALA A 72 -3.804 -11.262 -3.370 1.00 0.00 C ATOM 0 H ALA A 72 -5.176 -10.225 -5.127 1.00 0.00 H new ATOM 0 HA ALA A 72 -3.399 -12.365 -5.155 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.202 -11.911 -2.734 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.204 -10.410 -3.689 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.670 -10.907 -2.810 1.00 0.00 H new ATOM 968 N GLN A 73 -6.308 -13.084 -3.784 1.00 0.00 N ATOM 969 CA GLN A 73 -7.156 -14.188 -3.352 1.00 0.00 C ATOM 970 C GLN A 73 -7.550 -15.068 -4.534 1.00 0.00 C ATOM 971 O GLN A 73 -7.345 -16.281 -4.513 1.00 0.00 O ATOM 972 CB GLN A 73 -8.410 -13.654 -2.657 1.00 0.00 C ATOM 973 CG GLN A 73 -8.112 -12.757 -1.467 1.00 0.00 C ATOM 974 CD GLN A 73 -9.356 -12.096 -0.908 1.00 0.00 C ATOM 975 OE1 GLN A 73 -10.245 -11.688 -1.655 1.00 0.00 O ATOM 976 NE2 GLN A 73 -9.426 -11.989 0.414 1.00 0.00 N ATOM 0 H GLN A 73 -6.763 -12.171 -3.767 1.00 0.00 H new ATOM 0 HA GLN A 73 -6.588 -14.794 -2.646 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -9.007 -13.098 -3.380 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -9.017 -14.496 -2.324 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -7.635 -13.346 -0.684 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -7.400 -11.988 -1.766 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -8.665 -12.341 0.995 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -10.240 -11.555 0.848 1.00 0.00 H new ATOM 983 N ALA A 74 -8.118 -14.447 -5.563 1.00 0.00 N ATOM 984 CA ALA A 74 -8.539 -15.172 -6.755 1.00 0.00 C ATOM 985 C ALA A 74 -7.399 -16.017 -7.315 1.00 0.00 C ATOM 986 O ALA A 74 -7.555 -17.217 -7.539 1.00 0.00 O ATOM 987 CB ALA A 74 -9.048 -14.202 -7.811 1.00 0.00 C ATOM 0 H ALA A 74 -8.297 -13.443 -5.595 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.350 -15.844 -6.474 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.359 -14.758 -8.696 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.897 -13.646 -7.415 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.253 -13.507 -8.080 1.00 0.00 H new ATOM 993 N ASN A 75 -6.254 -15.382 -7.540 1.00 0.00 N ATOM 994 CA ASN A 75 -5.087 -16.075 -8.076 1.00 0.00 C ATOM 995 C ASN A 75 -4.665 -17.217 -7.157 1.00 0.00 C ATOM 996 O ASN A 75 -3.983 -18.151 -7.583 1.00 0.00 O ATOM 997 CB ASN A 75 -3.926 -15.097 -8.259 1.00 0.00 C ATOM 998 CG ASN A 75 -4.014 -14.332 -9.566 1.00 0.00 C ATOM 999 OD1 ASN A 75 -3.579 -14.816 -10.611 1.00 0.00 O ATOM 1000 ND2 ASN A 75 -4.579 -13.132 -9.512 1.00 0.00 N ATOM 0 H ASN A 75 -6.109 -14.389 -7.360 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.357 -16.493 -9.046 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -3.915 -14.391 -7.428 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -2.984 -15.645 -8.225 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -4.667 -12.571 -10.359 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -4.926 -12.771 -8.623 1.00 0.00 H new ATOM 1006 N LEU A 76 -5.074 -17.137 -5.896 1.00 0.00 N ATOM 1007 CA LEU A 76 -4.738 -18.165 -4.916 1.00 0.00 C ATOM 1008 C LEU A 76 -5.813 -19.247 -4.872 1.00 0.00 C ATOM 1009 O LEU A 76 -5.597 -20.329 -4.327 1.00 0.00 O ATOM 1010 CB LEU A 76 -4.571 -17.541 -3.530 1.00 0.00 C ATOM 1011 CG LEU A 76 -3.241 -16.832 -3.269 1.00 0.00 C ATOM 1012 CD1 LEU A 76 -3.304 -16.038 -1.973 1.00 0.00 C ATOM 1013 CD2 LEU A 76 -2.101 -17.839 -3.223 1.00 0.00 C ATOM 0 H LEU A 76 -5.639 -16.372 -5.528 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.797 -18.625 -5.217 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.378 -16.825 -3.376 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.695 -18.325 -2.783 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.055 -16.137 -4.088 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.349 -15.541 -1.804 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.095 -15.291 -2.042 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.513 -16.713 -1.143 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.162 -17.318 -3.036 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.282 -18.557 -2.423 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.041 -18.364 -4.176 1.00 0.00 H new ATOM 1024 N GLY A 77 -6.970 -18.948 -5.454 1.00 0.00 N ATOM 1025 CA GLY A 77 -8.060 -19.906 -5.471 1.00 0.00 C ATOM 1026 C GLY A 77 -8.631 -20.161 -4.091 1.00 0.00 C ATOM 1027 O GLY A 77 -9.599 -19.518 -3.685 1.00 0.00 O ATOM 0 H GLY A 77 -7.172 -18.060 -5.914 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -8.851 -19.540 -6.126 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -7.706 -20.846 -5.894 1.00 0.00 H new ATOM 1031 N GLU A 78 -8.033 -21.102 -3.368 1.00 0.00 N ATOM 1032 CA GLU A 78 -8.491 -21.442 -2.027 1.00 0.00 C ATOM 1033 C GLU A 78 -8.636 -20.188 -1.168 1.00 0.00 C ATOM 1034 O GLU A 78 -9.509 -20.112 -0.304 1.00 0.00 O ATOM 1035 CB GLU A 78 -7.517 -22.417 -1.362 1.00 0.00 C ATOM 1036 CG GLU A 78 -8.065 -23.829 -1.232 1.00 0.00 C ATOM 1037 CD GLU A 78 -7.282 -24.837 -2.052 1.00 0.00 C ATOM 1038 OE1 GLU A 78 -6.214 -25.281 -1.583 1.00 0.00 O ATOM 1039 OE2 GLU A 78 -7.740 -25.181 -3.162 1.00 0.00 O ATOM 0 H GLU A 78 -7.230 -21.643 -3.689 1.00 0.00 H new ATOM 0 HA GLU A 78 -9.468 -21.918 -2.115 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -6.593 -22.446 -1.940 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -7.261 -22.043 -0.371 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -8.047 -24.127 -0.184 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -9.108 -23.840 -1.549 1.00 0.00 H new ATOM 1044 N ALA A 79 -7.773 -19.208 -1.413 1.00 0.00 N ATOM 1045 CA ALA A 79 -7.805 -17.957 -0.665 1.00 0.00 C ATOM 1046 C ALA A 79 -9.209 -17.363 -0.648 1.00 0.00 C ATOM 1047 O ALA A 79 -9.878 -17.356 0.384 1.00 0.00 O ATOM 1048 CB ALA A 79 -6.816 -16.962 -1.256 1.00 0.00 C ATOM 0 H ALA A 79 -7.043 -19.256 -2.124 1.00 0.00 H new ATOM 0 HA ALA A 79 -7.517 -18.171 0.364 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -6.851 -16.033 -0.687 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.810 -17.378 -1.210 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -7.078 -16.762 -2.295 1.00 0.00 H new ATOM 1533 N ALA B 620 2.526 11.834 10.310 1.00 0.00 N ATOM 1534 CA ALA B 620 3.272 10.804 9.597 1.00 0.00 C ATOM 1535 C ALA B 620 3.062 9.435 10.233 1.00 0.00 C ATOM 1536 O ALA B 620 3.094 8.411 9.550 1.00 0.00 O ATOM 1537 CB ALA B 620 4.753 11.153 9.566 1.00 0.00 C ATOM 0 HA ALA B 620 2.898 10.761 8.574 1.00 0.00 H new ATOM 0 HB1 ALA B 620 5.299 10.376 9.031 1.00 0.00 H new ATOM 0 HB2 ALA B 620 4.891 12.108 9.059 1.00 0.00 H new ATOM 0 HB3 ALA B 620 5.131 11.225 10.586 1.00 0.00 H new ATOM 1543 N GLY B 621 2.849 9.422 11.545 1.00 0.00 N ATOM 1544 CA GLY B 621 2.638 8.172 12.251 1.00 0.00 C ATOM 1545 C GLY B 621 1.540 7.333 11.629 1.00 0.00 C ATOM 1546 O GLY B 621 1.597 6.104 11.654 1.00 0.00 O ATOM 0 H GLY B 621 2.819 10.256 12.132 1.00 0.00 H new ATOM 0 HA2 GLY B 621 3.567 7.601 12.259 1.00 0.00 H new ATOM 0 HA3 GLY B 621 2.385 8.383 13.290 1.00 0.00 H new ATOM 1550 N TYR B 622 0.534 7.998 11.070 1.00 0.00 N ATOM 1551 CA TYR B 622 -0.585 7.307 10.442 1.00 0.00 C ATOM 1552 C TYR B 622 -0.149 6.630 9.145 1.00 0.00 C ATOM 1553 O TYR B 622 -0.627 5.548 8.806 1.00 0.00 O ATOM 1554 CB TYR B 622 -1.725 8.287 10.162 1.00 0.00 C ATOM 1555 CG TYR B 622 -2.778 8.316 11.246 1.00 0.00 C ATOM 1556 CD1 TYR B 622 -3.463 7.163 11.609 1.00 0.00 C ATOM 1557 CD2 TYR B 622 -3.089 9.498 11.906 1.00 0.00 C ATOM 1558 CE1 TYR B 622 -4.427 7.187 12.598 1.00 0.00 C ATOM 1559 CE2 TYR B 622 -4.050 9.531 12.899 1.00 0.00 C ATOM 1560 CZ TYR B 622 -4.716 8.373 13.240 1.00 0.00 C ATOM 1561 OH TYR B 622 -5.675 8.400 14.227 1.00 0.00 O ATOM 0 H TYR B 622 0.471 9.016 11.039 1.00 0.00 H new ATOM 0 HA TYR B 622 -0.937 6.539 11.130 1.00 0.00 H new ATOM 0 HB2 TYR B 622 -1.311 9.288 10.042 1.00 0.00 H new ATOM 0 HB3 TYR B 622 -2.197 8.022 9.216 1.00 0.00 H new ATOM 0 HD1 TYR B 622 -3.238 6.232 11.109 1.00 0.00 H new ATOM 0 HD2 TYR B 622 -2.571 10.407 11.639 1.00 0.00 H new ATOM 0 HE1 TYR B 622 -4.952 6.282 12.867 1.00 0.00 H new ATOM 0 HE2 TYR B 622 -4.278 10.458 13.404 1.00 0.00 H new ATOM 0 HH TYR B 622 -5.757 9.311 14.579 1.00 0.00 H new ATOM 1570 N ALA B 623 0.761 7.277 8.426 1.00 0.00 N ATOM 1571 CA ALA B 623 1.265 6.738 7.168 1.00 0.00 C ATOM 1572 C ALA B 623 1.982 5.411 7.387 1.00 0.00 C ATOM 1573 O ALA B 623 1.730 4.434 6.682 1.00 0.00 O ATOM 1574 CB ALA B 623 2.195 7.739 6.500 1.00 0.00 C ATOM 0 H ALA B 623 1.165 8.175 8.692 1.00 0.00 H new ATOM 0 HA ALA B 623 0.413 6.556 6.512 1.00 0.00 H new ATOM 0 HB1 ALA B 623 2.564 7.323 5.562 1.00 0.00 H new ATOM 0 HB2 ALA B 623 1.652 8.662 6.299 1.00 0.00 H new ATOM 0 HB3 ALA B 623 3.037 7.950 7.159 1.00 0.00 H new ATOM 1580 N GLY B 624 2.879 5.383 8.369 1.00 0.00 N ATOM 1581 CA GLY B 624 3.620 4.170 8.662 1.00 0.00 C ATOM 1582 C GLY B 624 2.712 2.981 8.906 1.00 0.00 C ATOM 1583 O GLY B 624 3.115 1.833 8.714 1.00 0.00 O ATOM 0 H GLY B 624 3.105 6.178 8.966 1.00 0.00 H new ATOM 0 HA2 GLY B 624 4.290 3.947 7.831 1.00 0.00 H new ATOM 0 HA3 GLY B 624 4.245 4.333 9.540 1.00 0.00 H new ATOM 1587 N THR B 625 1.483 3.254 9.329 1.00 0.00 N ATOM 1588 CA THR B 625 0.516 2.197 9.602 1.00 0.00 C ATOM 1589 C THR B 625 0.315 1.308 8.381 1.00 0.00 C ATOM 1590 O THR B 625 0.295 0.081 8.490 1.00 0.00 O ATOM 1591 CB THR B 625 -0.845 2.778 10.030 1.00 0.00 C ATOM 1592 OG1 THR B 625 -0.653 3.806 11.008 1.00 0.00 O ATOM 1593 CG2 THR B 625 -1.742 1.690 10.600 1.00 0.00 C ATOM 0 H THR B 625 1.133 4.198 9.490 1.00 0.00 H new ATOM 0 HA THR B 625 0.921 1.601 10.419 1.00 0.00 H new ATOM 0 HB THR B 625 -1.328 3.201 9.149 1.00 0.00 H new ATOM 0 HG1 THR B 625 -0.445 4.651 10.558 1.00 0.00 H new ATOM 0 HG21 THR B 625 -2.697 2.124 10.895 1.00 0.00 H new ATOM 0 HG22 THR B 625 -1.910 0.923 9.843 1.00 0.00 H new ATOM 0 HG23 THR B 625 -1.262 1.242 11.470 1.00 0.00 H new ATOM 1601 N LEU B 626 0.165 1.933 7.218 1.00 0.00 N ATOM 1602 CA LEU B 626 -0.033 1.196 5.974 1.00 0.00 C ATOM 1603 C LEU B 626 1.233 0.445 5.577 1.00 0.00 C ATOM 1604 O LEU B 626 1.170 -0.688 5.102 1.00 0.00 O ATOM 1605 CB LEU B 626 -0.446 2.152 4.853 1.00 0.00 C ATOM 1606 CG LEU B 626 -1.769 2.892 5.055 1.00 0.00 C ATOM 1607 CD1 LEU B 626 -2.810 1.968 5.669 1.00 0.00 C ATOM 1608 CD2 LEU B 626 -1.565 4.122 5.927 1.00 0.00 C ATOM 0 H LEU B 626 0.177 2.947 7.110 1.00 0.00 H new ATOM 0 HA LEU B 626 -0.828 0.468 6.135 1.00 0.00 H new ATOM 0 HB2 LEU B 626 0.345 2.891 4.723 1.00 0.00 H new ATOM 0 HB3 LEU B 626 -0.508 1.585 3.924 1.00 0.00 H new ATOM 0 HG LEU B 626 -2.132 3.218 4.081 1.00 0.00 H new ATOM 0 HD11 LEU B 626 -3.745 2.512 5.805 1.00 0.00 H new ATOM 0 HD12 LEU B 626 -2.978 1.118 5.007 1.00 0.00 H new ATOM 0 HD13 LEU B 626 -2.454 1.610 6.635 1.00 0.00 H new ATOM 0 HD21 LEU B 626 -2.517 4.636 6.060 1.00 0.00 H new ATOM 0 HD22 LEU B 626 -1.178 3.818 6.900 1.00 0.00 H new ATOM 0 HD23 LEU B 626 -0.854 4.794 5.447 1.00 0.00 H new ATOM 1619 N GLN B 627 2.381 1.085 5.778 1.00 0.00 N ATOM 1620 CA GLN B 627 3.662 0.475 5.442 1.00 0.00 C ATOM 1621 C GLN B 627 3.804 -0.893 6.099 1.00 0.00 C ATOM 1622 O GLN B 627 4.282 -1.844 5.480 1.00 0.00 O ATOM 1623 CB GLN B 627 4.813 1.384 5.877 1.00 0.00 C ATOM 1624 CG GLN B 627 6.143 1.033 5.230 1.00 0.00 C ATOM 1625 CD GLN B 627 7.207 2.085 5.478 1.00 0.00 C ATOM 1626 OE1 GLN B 627 7.158 2.813 6.471 1.00 0.00 O ATOM 1627 NE2 GLN B 627 8.179 2.169 4.577 1.00 0.00 N ATOM 0 H GLN B 627 2.450 2.024 6.171 1.00 0.00 H new ATOM 0 HA GLN B 627 3.700 0.343 4.361 1.00 0.00 H new ATOM 0 HB2 GLN B 627 4.561 2.416 5.634 1.00 0.00 H new ATOM 0 HB3 GLN B 627 4.919 1.328 6.960 1.00 0.00 H new ATOM 0 HG2 GLN B 627 6.489 0.074 5.616 1.00 0.00 H new ATOM 0 HG3 GLN B 627 6.000 0.912 4.156 1.00 0.00 H new ATOM 0 HE21 GLN B 627 8.181 1.546 3.769 1.00 0.00 H new ATOM 0 HE22 GLN B 627 8.924 2.856 4.693 1.00 0.00 H new ATOM 1634 N SER B 628 3.385 -0.987 7.357 1.00 0.00 N ATOM 1635 CA SER B 628 3.467 -2.239 8.100 1.00 0.00 C ATOM 1636 C SER B 628 2.378 -3.209 7.654 1.00 0.00 C ATOM 1637 O SER B 628 2.587 -4.423 7.617 1.00 0.00 O ATOM 1638 CB SER B 628 3.348 -1.973 9.601 1.00 0.00 C ATOM 1639 OG SER B 628 3.651 -3.138 10.350 1.00 0.00 O ATOM 0 H SER B 628 2.985 -0.210 7.883 1.00 0.00 H new ATOM 0 HA SER B 628 4.437 -2.692 7.895 1.00 0.00 H new ATOM 0 HB2 SER B 628 4.025 -1.167 9.886 1.00 0.00 H new ATOM 0 HB3 SER B 628 2.337 -1.638 9.835 1.00 0.00 H new ATOM 0 HG SER B 628 3.569 -2.942 11.307 1.00 0.00 H new ATOM 1644 N LEU B 629 1.214 -2.666 7.316 1.00 0.00 N ATOM 1645 CA LEU B 629 0.089 -3.482 6.871 1.00 0.00 C ATOM 1646 C LEU B 629 0.407 -4.173 5.550 1.00 0.00 C ATOM 1647 O LEU B 629 0.273 -5.390 5.426 1.00 0.00 O ATOM 1648 CB LEU B 629 -1.165 -2.619 6.720 1.00 0.00 C ATOM 1649 CG LEU B 629 -2.487 -3.283 7.102 1.00 0.00 C ATOM 1650 CD1 LEU B 629 -2.629 -4.629 6.406 1.00 0.00 C ATOM 1651 CD2 LEU B 629 -2.585 -3.450 8.612 1.00 0.00 C ATOM 0 H LEU B 629 1.024 -1.664 7.341 1.00 0.00 H new ATOM 0 HA LEU B 629 -0.094 -4.247 7.625 1.00 0.00 H new ATOM 0 HB2 LEU B 629 -1.041 -1.724 7.330 1.00 0.00 H new ATOM 0 HB3 LEU B 629 -1.233 -2.291 5.683 1.00 0.00 H new ATOM 0 HG LEU B 629 -3.302 -2.638 6.774 1.00 0.00 H new ATOM 0 HD11 LEU B 629 -3.576 -5.087 6.690 1.00 0.00 H new ATOM 0 HD12 LEU B 629 -2.605 -4.484 5.326 1.00 0.00 H new ATOM 0 HD13 LEU B 629 -1.807 -5.281 6.703 1.00 0.00 H new ATOM 0 HD21 LEU B 629 -3.533 -3.925 8.865 1.00 0.00 H new ATOM 0 HD22 LEU B 629 -1.762 -4.073 8.963 1.00 0.00 H new ATOM 0 HD23 LEU B 629 -2.530 -2.472 9.091 1.00 0.00 H new ATOM 1662 N GLY B 630 0.830 -3.388 4.564 1.00 0.00 N ATOM 1663 CA GLY B 630 1.162 -3.943 3.263 1.00 0.00 C ATOM 1664 C GLY B 630 2.176 -5.066 3.354 1.00 0.00 C ATOM 1665 O GLY B 630 1.963 -6.149 2.810 1.00 0.00 O ATOM 0 H GLY B 630 0.949 -2.378 4.642 1.00 0.00 H new ATOM 0 HA2 GLY B 630 0.254 -4.315 2.788 1.00 0.00 H new ATOM 0 HA3 GLY B 630 1.556 -3.153 2.624 1.00 0.00 H new ATOM 1669 N ALA B 631 3.282 -4.808 4.045 1.00 0.00 N ATOM 1670 CA ALA B 631 4.333 -5.807 4.205 1.00 0.00 C ATOM 1671 C ALA B 631 3.769 -7.113 4.754 1.00 0.00 C ATOM 1672 O ALA B 631 4.133 -8.196 4.298 1.00 0.00 O ATOM 1673 CB ALA B 631 5.429 -5.277 5.119 1.00 0.00 C ATOM 0 H ALA B 631 3.474 -3.917 4.503 1.00 0.00 H new ATOM 0 HA ALA B 631 4.760 -6.011 3.223 1.00 0.00 H new ATOM 0 HB1 ALA B 631 6.207 -6.032 5.230 1.00 0.00 H new ATOM 0 HB2 ALA B 631 5.859 -4.374 4.686 1.00 0.00 H new ATOM 0 HB3 ALA B 631 5.007 -5.045 6.097 1.00 0.00 H new ATOM 1679 N GLU B 632 2.881 -7.002 5.736 1.00 0.00 N ATOM 1680 CA GLU B 632 2.269 -8.176 6.348 1.00 0.00 C ATOM 1681 C GLU B 632 1.593 -9.048 5.295 1.00 0.00 C ATOM 1682 O GLU B 632 1.725 -10.272 5.309 1.00 0.00 O ATOM 1683 CB GLU B 632 1.250 -7.754 7.408 1.00 0.00 C ATOM 1684 CG GLU B 632 1.871 -7.051 8.604 1.00 0.00 C ATOM 1685 CD GLU B 632 1.835 -7.898 9.861 1.00 0.00 C ATOM 1686 OE1 GLU B 632 2.021 -9.128 9.754 1.00 0.00 O ATOM 1687 OE2 GLU B 632 1.620 -7.330 10.952 1.00 0.00 O ATOM 0 H GLU B 632 2.569 -6.112 6.125 1.00 0.00 H new ATOM 0 HA GLU B 632 3.058 -8.758 6.825 1.00 0.00 H new ATOM 0 HB2 GLU B 632 0.515 -7.092 6.950 1.00 0.00 H new ATOM 0 HB3 GLU B 632 0.712 -8.637 7.755 1.00 0.00 H new ATOM 0 HG2 GLU B 632 2.905 -6.794 8.373 1.00 0.00 H new ATOM 0 HG3 GLU B 632 1.342 -6.115 8.786 1.00 0.00 H new ATOM 1692 N ILE B 633 0.868 -8.409 4.382 1.00 0.00 N ATOM 1693 CA ILE B 633 0.171 -9.126 3.322 1.00 0.00 C ATOM 1694 C ILE B 633 1.150 -9.639 2.271 1.00 0.00 C ATOM 1695 O ILE B 633 0.991 -10.740 1.746 1.00 0.00 O ATOM 1696 CB ILE B 633 -0.880 -8.233 2.636 1.00 0.00 C ATOM 1697 CG1 ILE B 633 -1.873 -7.694 3.667 1.00 0.00 C ATOM 1698 CG2 ILE B 633 -1.606 -9.011 1.548 1.00 0.00 C ATOM 1699 CD1 ILE B 633 -2.779 -6.610 3.125 1.00 0.00 C ATOM 0 H ILE B 633 0.748 -7.396 4.356 1.00 0.00 H new ATOM 0 HA ILE B 633 -0.333 -9.972 3.790 1.00 0.00 H new ATOM 0 HB ILE B 633 -0.372 -7.387 2.173 1.00 0.00 H new ATOM 0 HG12 ILE B 633 -2.485 -8.517 4.035 1.00 0.00 H new ATOM 0 HG13 ILE B 633 -1.321 -7.301 4.521 1.00 0.00 H new ATOM 0 HG21 ILE B 633 -2.346 -8.367 1.072 1.00 0.00 H new ATOM 0 HG22 ILE B 633 -0.887 -9.351 0.802 1.00 0.00 H new ATOM 0 HG23 ILE B 633 -2.106 -9.873 1.989 1.00 0.00 H new ATOM 0 HD11 ILE B 633 -3.456 -6.275 3.911 1.00 0.00 H new ATOM 0 HD12 ILE B 633 -2.176 -5.769 2.783 1.00 0.00 H new ATOM 0 HD13 ILE B 633 -3.358 -7.004 2.290 1.00 0.00 H new ATOM 1710 N ALA B 634 2.163 -8.833 1.970 1.00 0.00 N ATOM 1711 CA ALA B 634 3.170 -9.207 0.984 1.00 0.00 C ATOM 1712 C ALA B 634 3.987 -10.404 1.461 1.00 0.00 C ATOM 1713 O ALA B 634 4.414 -11.235 0.661 1.00 0.00 O ATOM 1714 CB ALA B 634 4.082 -8.027 0.688 1.00 0.00 C ATOM 0 H ALA B 634 2.308 -7.917 2.395 1.00 0.00 H new ATOM 0 HA ALA B 634 2.656 -9.494 0.066 1.00 0.00 H new ATOM 0 HB1 ALA B 634 4.829 -8.320 -0.050 1.00 0.00 H new ATOM 0 HB2 ALA B 634 3.491 -7.199 0.296 1.00 0.00 H new ATOM 0 HB3 ALA B 634 4.581 -7.714 1.605 1.00 0.00 H new ATOM 1720 N VAL B 635 4.201 -10.483 2.771 1.00 0.00 N ATOM 1721 CA VAL B 635 4.967 -11.578 3.355 1.00 0.00 C ATOM 1722 C VAL B 635 4.130 -12.849 3.442 1.00 0.00 C ATOM 1723 O VAL B 635 4.655 -13.957 3.346 1.00 0.00 O ATOM 1724 CB VAL B 635 5.480 -11.216 4.761 1.00 0.00 C ATOM 1725 CG1 VAL B 635 6.222 -12.393 5.378 1.00 0.00 C ATOM 1726 CG2 VAL B 635 6.373 -9.985 4.702 1.00 0.00 C ATOM 0 H VAL B 635 3.855 -9.802 3.447 1.00 0.00 H new ATOM 0 HA VAL B 635 5.820 -11.753 2.699 1.00 0.00 H new ATOM 0 HB VAL B 635 4.623 -10.985 5.393 1.00 0.00 H new ATOM 0 HG11 VAL B 635 6.577 -12.119 6.371 1.00 0.00 H new ATOM 0 HG12 VAL B 635 5.549 -13.247 5.456 1.00 0.00 H new ATOM 0 HG13 VAL B 635 7.072 -12.657 4.749 1.00 0.00 H new ATOM 0 HG21 VAL B 635 6.726 -9.744 5.704 1.00 0.00 H new ATOM 0 HG22 VAL B 635 7.227 -10.186 4.055 1.00 0.00 H new ATOM 0 HG23 VAL B 635 5.806 -9.143 4.305 1.00 0.00 H new ATOM 1736 N GLU B 636 2.824 -12.679 3.626 1.00 0.00 N ATOM 1737 CA GLU B 636 1.914 -13.814 3.727 1.00 0.00 C ATOM 1738 C GLU B 636 1.827 -14.562 2.399 1.00 0.00 C ATOM 1739 O GLU B 636 2.019 -15.775 2.347 1.00 0.00 O ATOM 1740 CB GLU B 636 0.522 -13.343 4.152 1.00 0.00 C ATOM 1741 CG GLU B 636 0.164 -13.713 5.581 1.00 0.00 C ATOM 1742 CD GLU B 636 0.155 -15.212 5.812 1.00 0.00 C ATOM 1743 OE1 GLU B 636 -0.596 -15.915 5.105 1.00 0.00 O ATOM 1744 OE2 GLU B 636 0.898 -15.680 6.698 1.00 0.00 O ATOM 0 H GLU B 636 2.373 -11.768 3.708 1.00 0.00 H new ATOM 0 HA GLU B 636 2.306 -14.495 4.482 1.00 0.00 H new ATOM 0 HB2 GLU B 636 0.464 -12.260 4.041 1.00 0.00 H new ATOM 0 HB3 GLU B 636 -0.219 -13.773 3.478 1.00 0.00 H new ATOM 0 HG2 GLU B 636 0.877 -13.249 6.262 1.00 0.00 H new ATOM 0 HG3 GLU B 636 -0.818 -13.306 5.822 1.00 0.00 H new ATOM 1749 N GLN B 637 1.536 -13.826 1.331 1.00 0.00 N ATOM 1750 CA GLN B 637 1.423 -14.420 0.004 1.00 0.00 C ATOM 1751 C GLN B 637 2.729 -15.091 -0.406 1.00 0.00 C ATOM 1752 O GLN B 637 2.729 -16.062 -1.163 1.00 0.00 O ATOM 1753 CB GLN B 637 1.038 -13.354 -1.024 1.00 0.00 C ATOM 1754 CG GLN B 637 2.186 -12.431 -1.400 1.00 0.00 C ATOM 1755 CD GLN B 637 2.896 -12.869 -2.666 1.00 0.00 C ATOM 1756 OE1 GLN B 637 2.274 -13.033 -3.716 1.00 0.00 O ATOM 1757 NE2 GLN B 637 4.207 -13.061 -2.574 1.00 0.00 N ATOM 0 H GLN B 637 1.374 -12.819 1.359 1.00 0.00 H new ATOM 0 HA GLN B 637 0.642 -15.180 0.039 1.00 0.00 H new ATOM 0 HB2 GLN B 637 0.668 -13.845 -1.924 1.00 0.00 H new ATOM 0 HB3 GLN B 637 0.217 -12.757 -0.626 1.00 0.00 H new ATOM 0 HG2 GLN B 637 1.805 -11.419 -1.534 1.00 0.00 H new ATOM 0 HG3 GLN B 637 2.903 -12.396 -0.580 1.00 0.00 H new ATOM 0 HE21 GLN B 637 4.683 -12.914 -1.684 1.00 0.00 H new ATOM 0 HE22 GLN B 637 4.738 -13.356 -3.393 1.00 0.00 H new ATOM 1764 N ALA B 638 3.841 -14.567 0.098 1.00 0.00 N ATOM 1765 CA ALA B 638 5.154 -15.116 -0.214 1.00 0.00 C ATOM 1766 C ALA B 638 5.246 -16.583 0.193 1.00 0.00 C ATOM 1767 O ALA B 638 5.986 -17.360 -0.412 1.00 0.00 O ATOM 1768 CB ALA B 638 6.243 -14.306 0.474 1.00 0.00 C ATOM 0 H ALA B 638 3.858 -13.762 0.725 1.00 0.00 H new ATOM 0 HA ALA B 638 5.299 -15.055 -1.293 1.00 0.00 H new ATOM 0 HB1 ALA B 638 7.218 -14.728 0.232 1.00 0.00 H new ATOM 0 HB2 ALA B 638 6.199 -13.272 0.131 1.00 0.00 H new ATOM 0 HB3 ALA B 638 6.092 -14.337 1.553 1.00 0.00 H new ATOM 1774 N ALA B 639 4.492 -16.956 1.222 1.00 0.00 N ATOM 1775 CA ALA B 639 4.489 -18.330 1.708 1.00 0.00 C ATOM 1776 C ALA B 639 3.488 -19.182 0.936 1.00 0.00 C ATOM 1777 O ALA B 639 3.616 -20.406 0.875 1.00 0.00 O ATOM 1778 CB ALA B 639 4.175 -18.362 3.197 1.00 0.00 C ATOM 0 H ALA B 639 3.876 -16.326 1.735 1.00 0.00 H new ATOM 0 HA ALA B 639 5.483 -18.749 1.548 1.00 0.00 H new ATOM 0 HB1 ALA B 639 4.176 -19.394 3.547 1.00 0.00 H new ATOM 0 HB2 ALA B 639 4.930 -17.794 3.740 1.00 0.00 H new ATOM 0 HB3 ALA B 639 3.194 -17.921 3.371 1.00 0.00 H new ATOM 1784 N LEU B 640 2.491 -18.531 0.348 1.00 0.00 N ATOM 1785 CA LEU B 640 1.467 -19.230 -0.419 1.00 0.00 C ATOM 1786 C LEU B 640 1.793 -19.207 -1.909 1.00 0.00 C ATOM 1787 O LEU B 640 0.901 -19.308 -2.751 1.00 0.00 O ATOM 1788 CB LEU B 640 0.096 -18.595 -0.176 1.00 0.00 C ATOM 1789 CG LEU B 640 -0.174 -18.104 1.247 1.00 0.00 C ATOM 1790 CD1 LEU B 640 -1.442 -17.267 1.292 1.00 0.00 C ATOM 1791 CD2 LEU B 640 -0.275 -19.280 2.206 1.00 0.00 C ATOM 0 H LEU B 640 2.370 -17.519 0.388 1.00 0.00 H new ATOM 0 HA LEU B 640 1.444 -20.268 -0.086 1.00 0.00 H new ATOM 0 HB2 LEU B 640 -0.017 -17.752 -0.857 1.00 0.00 H new ATOM 0 HB3 LEU B 640 -0.671 -19.323 -0.439 1.00 0.00 H new ATOM 0 HG LEU B 640 0.661 -17.477 1.559 1.00 0.00 H new ATOM 0 HD11 LEU B 640 -1.617 -16.927 2.313 1.00 0.00 H new ATOM 0 HD12 LEU B 640 -1.332 -16.404 0.636 1.00 0.00 H new ATOM 0 HD13 LEU B 640 -2.288 -17.869 0.960 1.00 0.00 H new ATOM 0 HD21 LEU B 640 -0.467 -18.912 3.214 1.00 0.00 H new ATOM 0 HD22 LEU B 640 -1.091 -19.933 1.896 1.00 0.00 H new ATOM 0 HD23 LEU B 640 0.661 -19.839 2.196 1.00 0.00 H new ATOM 1802 N GLN B 641 3.077 -19.078 -2.227 1.00 0.00 N ATOM 1803 CA GLN B 641 3.520 -19.044 -3.614 1.00 0.00 C ATOM 1804 C GLN B 641 3.029 -20.272 -4.373 1.00 0.00 C ATOM 1805 O GLN B 641 2.783 -20.213 -5.578 1.00 0.00 O ATOM 1806 CB GLN B 641 5.047 -18.966 -3.683 1.00 0.00 C ATOM 1807 CG GLN B 641 5.601 -17.588 -3.358 1.00 0.00 C ATOM 1808 CD GLN B 641 5.462 -16.616 -4.512 1.00 0.00 C ATOM 1809 OE1 GLN B 641 6.291 -16.591 -5.422 1.00 0.00 O ATOM 1810 NE2 GLN B 641 4.409 -15.807 -4.482 1.00 0.00 N ATOM 0 H GLN B 641 3.828 -18.995 -1.542 1.00 0.00 H new ATOM 0 HA GLN B 641 3.096 -18.156 -4.082 1.00 0.00 H new ATOM 0 HB2 GLN B 641 5.471 -19.692 -2.989 1.00 0.00 H new ATOM 0 HB3 GLN B 641 5.372 -19.253 -4.683 1.00 0.00 H new ATOM 0 HG2 GLN B 641 5.082 -17.188 -2.487 1.00 0.00 H new ATOM 0 HG3 GLN B 641 6.653 -17.678 -3.089 1.00 0.00 H new ATOM 0 HE21 GLN B 641 3.746 -15.861 -3.709 1.00 0.00 H new ATOM 0 HE22 GLN B 641 4.263 -15.132 -5.232 1.00 0.00 H new ATOM 1817 N SER B 642 2.887 -21.384 -3.660 1.00 0.00 N ATOM 1818 CA SER B 642 2.427 -22.628 -4.267 1.00 0.00 C ATOM 1819 C SER B 642 0.932 -22.569 -4.563 1.00 0.00 C ATOM 1820 O SER B 642 0.439 -23.249 -5.461 1.00 0.00 O ATOM 1821 CB SER B 642 2.731 -23.813 -3.347 1.00 0.00 C ATOM 1822 OG SER B 642 1.936 -24.936 -3.683 1.00 0.00 O ATOM 0 H SER B 642 3.084 -21.450 -2.661 1.00 0.00 H new ATOM 0 HA SER B 642 2.960 -22.762 -5.208 1.00 0.00 H new ATOM 0 HB2 SER B 642 3.786 -24.075 -3.423 1.00 0.00 H new ATOM 0 HB3 SER B 642 2.546 -23.530 -2.311 1.00 0.00 H new ATOM 0 HG SER B 642 2.150 -25.680 -3.082 1.00 0.00 H new ATOM 1827 N ALA B 643 0.216 -21.751 -3.799 1.00 0.00 N ATOM 1828 CA ALA B 643 -1.222 -21.600 -3.978 1.00 0.00 C ATOM 1829 C ALA B 643 -1.536 -20.754 -5.208 1.00 0.00 C ATOM 1830 O ALA B 643 -2.607 -20.879 -5.801 1.00 0.00 O ATOM 1831 CB ALA B 643 -1.848 -20.981 -2.737 1.00 0.00 C ATOM 0 H ALA B 643 0.609 -21.182 -3.049 1.00 0.00 H new ATOM 0 HA ALA B 643 -1.649 -22.591 -4.131 1.00 0.00 H new ATOM 0 HB1 ALA B 643 -2.923 -20.875 -2.886 1.00 0.00 H new ATOM 0 HB2 ALA B 643 -1.663 -21.624 -1.877 1.00 0.00 H new ATOM 0 HB3 ALA B 643 -1.408 -20.000 -2.558 1.00 0.00 H new ATOM 1837 N TRP B 644 -0.596 -19.896 -5.586 1.00 0.00 N ATOM 1838 CA TRP B 644 -0.774 -19.029 -6.745 1.00 0.00 C ATOM 1839 C TRP B 644 -0.899 -19.850 -8.024 1.00 0.00 C ATOM 1840 O TRP B 644 0.001 -20.614 -8.370 1.00 0.00 O ATOM 1841 CB TRP B 644 0.398 -18.054 -6.863 1.00 0.00 C ATOM 1842 CG TRP B 644 0.061 -16.809 -7.626 1.00 0.00 C ATOM 1843 CD1 TRP B 644 0.142 -16.629 -8.977 1.00 0.00 C ATOM 1844 CD2 TRP B 644 -0.408 -15.570 -7.082 1.00 0.00 C ATOM 1845 NE1 TRP B 644 -0.249 -15.353 -9.306 1.00 0.00 N ATOM 1846 CE2 TRP B 644 -0.592 -14.684 -8.161 1.00 0.00 C ATOM 1847 CE3 TRP B 644 -0.693 -15.125 -5.788 1.00 0.00 C ATOM 1848 CZ2 TRP B 644 -1.046 -13.380 -7.983 1.00 0.00 C ATOM 1849 CZ3 TRP B 644 -1.142 -13.830 -5.613 1.00 0.00 C ATOM 1850 CH2 TRP B 644 -1.317 -12.969 -6.706 1.00 0.00 C ATOM 0 H TRP B 644 0.297 -19.782 -5.107 1.00 0.00 H new ATOM 0 HA TRP B 644 -1.695 -18.463 -6.607 1.00 0.00 H new ATOM 0 HB2 TRP B 644 0.734 -17.779 -5.863 1.00 0.00 H new ATOM 0 HB3 TRP B 644 1.232 -18.557 -7.353 1.00 0.00 H new ATOM 0 HD1 TRP B 644 0.466 -17.379 -9.683 1.00 0.00 H new ATOM 0 HE1 TRP B 644 -0.279 -14.967 -10.250 1.00 0.00 H new ATOM 0 HE3 TRP B 644 -0.565 -15.782 -4.940 1.00 0.00 H new ATOM 0 HZ2 TRP B 644 -1.180 -12.716 -8.824 1.00 0.00 H new ATOM 0 HZ3 TRP B 644 -1.362 -13.475 -4.617 1.00 0.00 H new ATOM 0 HH2 TRP B 644 -1.672 -11.963 -6.537 1.00 0.00 H new ATOM 1860 N GLN B 645 -2.020 -19.686 -8.720 1.00 0.00 N ATOM 1861 CA GLN B 645 -2.261 -20.414 -9.960 1.00 0.00 C ATOM 1862 C GLN B 645 -1.671 -19.667 -11.153 1.00 0.00 C ATOM 1863 O GLN B 645 -1.333 -20.271 -12.169 1.00 0.00 O ATOM 1864 CB GLN B 645 -3.761 -20.627 -10.167 1.00 0.00 C ATOM 1865 CG GLN B 645 -4.327 -21.791 -9.370 1.00 0.00 C ATOM 1866 CD GLN B 645 -5.603 -21.431 -8.637 1.00 0.00 C ATOM 1867 OE1 GLN B 645 -6.632 -22.090 -8.798 1.00 0.00 O ATOM 1868 NE2 GLN B 645 -5.545 -20.382 -7.826 1.00 0.00 N ATOM 0 H GLN B 645 -2.774 -19.056 -8.446 1.00 0.00 H new ATOM 0 HA GLN B 645 -1.771 -21.385 -9.884 1.00 0.00 H new ATOM 0 HB2 GLN B 645 -4.290 -19.716 -9.889 1.00 0.00 H new ATOM 0 HB3 GLN B 645 -3.952 -20.796 -11.227 1.00 0.00 H new ATOM 0 HG2 GLN B 645 -4.522 -22.626 -10.043 1.00 0.00 H new ATOM 0 HG3 GLN B 645 -3.582 -22.129 -8.650 1.00 0.00 H new ATOM 0 HE21 GLN B 645 -4.672 -19.865 -7.723 1.00 0.00 H new ATOM 0 HE22 GLN B 645 -6.374 -20.093 -7.306 1.00 0.00 H new ATOM 1875 N GLY B 646 -1.553 -18.349 -11.020 1.00 0.00 N ATOM 1876 CA GLY B 646 -1.005 -17.542 -12.094 1.00 0.00 C ATOM 1877 C GLY B 646 -1.701 -17.788 -13.418 1.00 0.00 C ATOM 1878 O GLY B 646 -1.108 -17.610 -14.481 1.00 0.00 O ATOM 0 H GLY B 646 -1.827 -17.826 -10.188 1.00 0.00 H new ATOM 0 HA2 GLY B 646 -1.091 -16.487 -11.832 1.00 0.00 H new ATOM 0 HA3 GLY B 646 0.058 -17.758 -12.200 1.00 0.00 H new ATOM 1882 N ASP B 647 -2.962 -18.202 -13.354 1.00 0.00 N ATOM 1883 CA ASP B 647 -3.740 -18.475 -14.556 1.00 0.00 C ATOM 1884 C ASP B 647 -5.062 -17.714 -14.533 1.00 0.00 C ATOM 1885 O ASP B 647 -6.011 -18.075 -15.230 1.00 0.00 O ATOM 1886 CB ASP B 647 -4.003 -19.976 -14.690 1.00 0.00 C ATOM 1887 CG ASP B 647 -2.903 -20.691 -15.448 1.00 0.00 C ATOM 1888 OD1 ASP B 647 -1.725 -20.314 -15.280 1.00 0.00 O ATOM 1889 OD2 ASP B 647 -3.221 -21.629 -16.211 1.00 0.00 O ATOM 0 H ASP B 647 -3.467 -18.356 -12.481 1.00 0.00 H new ATOM 0 HA ASP B 647 -3.162 -18.137 -15.417 1.00 0.00 H new ATOM 0 HB2 ASP B 647 -4.100 -20.415 -13.697 1.00 0.00 H new ATOM 0 HB3 ASP B 647 -4.953 -20.131 -15.202 1.00 0.00 H new ATOM 1893 N THR B 648 -5.117 -16.658 -13.727 1.00 0.00 N ATOM 1894 CA THR B 648 -6.322 -15.847 -13.611 1.00 0.00 C ATOM 1895 C THR B 648 -6.052 -14.400 -14.005 1.00 0.00 C ATOM 1896 O THR B 648 -6.933 -13.711 -14.517 1.00 0.00 O ATOM 1897 CB THR B 648 -6.886 -15.880 -12.177 1.00 0.00 C ATOM 1898 OG1 THR B 648 -6.067 -15.089 -11.311 1.00 0.00 O ATOM 1899 CG2 THR B 648 -6.954 -17.308 -11.655 1.00 0.00 C ATOM 0 H THR B 648 -4.340 -16.345 -13.145 1.00 0.00 H new ATOM 0 HA THR B 648 -7.057 -16.275 -14.293 1.00 0.00 H new ATOM 0 HB THR B 648 -7.895 -15.469 -12.197 1.00 0.00 H new ATOM 0 HG1 THR B 648 -5.123 -15.282 -11.488 1.00 0.00 H new ATOM 0 HG21 THR B 648 -7.355 -17.306 -10.641 1.00 0.00 H new ATOM 0 HG22 THR B 648 -7.602 -17.901 -12.301 1.00 0.00 H new ATOM 0 HG23 THR B 648 -5.954 -17.741 -11.649 1.00 0.00 H new ATOM 1907 N GLY B 649 -4.826 -13.945 -13.763 1.00 0.00 N ATOM 1908 CA GLY B 649 -4.461 -12.581 -14.101 1.00 0.00 C ATOM 1909 C GLY B 649 -3.036 -12.247 -13.704 1.00 0.00 C ATOM 1910 O GLY B 649 -2.091 -12.593 -14.413 1.00 0.00 O ATOM 0 H GLY B 649 -4.080 -14.496 -13.339 1.00 0.00 H new ATOM 0 HA2 GLY B 649 -4.581 -12.431 -15.174 1.00 0.00 H new ATOM 0 HA3 GLY B 649 -5.144 -11.892 -13.605 1.00 0.00 H new ATOM 1914 N ILE B 650 -2.882 -11.572 -12.571 1.00 0.00 N ATOM 1915 CA ILE B 650 -1.563 -11.191 -12.082 1.00 0.00 C ATOM 1916 C ILE B 650 -0.741 -12.418 -11.707 1.00 0.00 C ATOM 1917 O ILE B 650 -1.272 -13.404 -11.193 1.00 0.00 O ATOM 1918 CB ILE B 650 -1.662 -10.260 -10.860 1.00 0.00 C ATOM 1919 CG1 ILE B 650 -2.430 -8.986 -11.222 1.00 0.00 C ATOM 1920 CG2 ILE B 650 -0.274 -9.918 -10.340 1.00 0.00 C ATOM 1921 CD1 ILE B 650 -2.538 -8.001 -10.079 1.00 0.00 C ATOM 0 H ILE B 650 -3.655 -11.277 -11.974 1.00 0.00 H new ATOM 0 HA ILE B 650 -1.068 -10.659 -12.894 1.00 0.00 H new ATOM 0 HB ILE B 650 -2.207 -10.778 -10.071 1.00 0.00 H new ATOM 0 HG12 ILE B 650 -1.936 -8.501 -12.064 1.00 0.00 H new ATOM 0 HG13 ILE B 650 -3.432 -9.257 -11.553 1.00 0.00 H new ATOM 0 HG21 ILE B 650 -0.361 -9.259 -9.476 1.00 0.00 H new ATOM 0 HG22 ILE B 650 0.241 -10.833 -10.048 1.00 0.00 H new ATOM 0 HG23 ILE B 650 0.294 -9.416 -11.123 1.00 0.00 H new ATOM 0 HD11 ILE B 650 -3.094 -7.123 -10.407 1.00 0.00 H new ATOM 0 HD12 ILE B 650 -3.058 -8.469 -9.243 1.00 0.00 H new ATOM 0 HD13 ILE B 650 -1.539 -7.701 -9.762 1.00 0.00 H new ATOM 1932 N THR B 651 0.563 -12.353 -11.964 1.00 0.00 N ATOM 1933 CA THR B 651 1.460 -13.458 -11.652 1.00 0.00 C ATOM 1934 C THR B 651 2.099 -13.277 -10.280 1.00 0.00 C ATOM 1935 O THR B 651 2.064 -12.188 -9.707 1.00 0.00 O ATOM 1936 CB THR B 651 2.572 -13.594 -12.710 1.00 0.00 C ATOM 1937 OG1 THR B 651 2.191 -12.913 -13.911 1.00 0.00 O ATOM 1938 CG2 THR B 651 2.849 -15.058 -13.018 1.00 0.00 C ATOM 0 H THR B 651 1.020 -11.546 -12.388 1.00 0.00 H new ATOM 0 HA THR B 651 0.856 -14.365 -11.651 1.00 0.00 H new ATOM 0 HB THR B 651 3.481 -13.144 -12.310 1.00 0.00 H new ATOM 0 HG1 THR B 651 2.903 -13.003 -14.578 1.00 0.00 H new ATOM 0 HG21 THR B 651 3.637 -15.129 -13.767 1.00 0.00 H new ATOM 0 HG22 THR B 651 3.166 -15.568 -12.108 1.00 0.00 H new ATOM 0 HG23 THR B 651 1.942 -15.527 -13.400 1.00 0.00 H new ATOM 1946 N TYR B 652 2.683 -14.351 -9.759 1.00 0.00 N ATOM 1947 CA TYR B 652 3.329 -14.311 -8.453 1.00 0.00 C ATOM 1948 C TYR B 652 4.469 -13.297 -8.440 1.00 0.00 C ATOM 1949 O TYR B 652 4.654 -12.570 -7.465 1.00 0.00 O ATOM 1950 CB TYR B 652 3.860 -15.696 -8.080 1.00 0.00 C ATOM 1951 CG TYR B 652 4.900 -16.225 -9.042 1.00 0.00 C ATOM 1952 CD1 TYR B 652 4.528 -16.924 -10.183 1.00 0.00 C ATOM 1953 CD2 TYR B 652 6.256 -16.026 -8.808 1.00 0.00 C ATOM 1954 CE1 TYR B 652 5.476 -17.409 -11.064 1.00 0.00 C ATOM 1955 CE2 TYR B 652 7.209 -16.507 -9.683 1.00 0.00 C ATOM 1956 CZ TYR B 652 6.815 -17.197 -10.810 1.00 0.00 C ATOM 1957 OH TYR B 652 7.763 -17.679 -11.684 1.00 0.00 O ATOM 0 H TYR B 652 2.722 -15.259 -10.221 1.00 0.00 H new ATOM 0 HA TYR B 652 2.585 -14.004 -7.718 1.00 0.00 H new ATOM 0 HB2 TYR B 652 4.291 -15.653 -7.080 1.00 0.00 H new ATOM 0 HB3 TYR B 652 3.026 -16.397 -8.038 1.00 0.00 H new ATOM 0 HD1 TYR B 652 3.480 -17.091 -10.385 1.00 0.00 H new ATOM 0 HD2 TYR B 652 6.569 -15.486 -7.927 1.00 0.00 H new ATOM 0 HE1 TYR B 652 5.170 -17.951 -11.947 1.00 0.00 H new ATOM 0 HE2 TYR B 652 8.258 -16.344 -9.486 1.00 0.00 H new ATOM 0 HH TYR B 652 8.657 -17.443 -11.359 1.00 0.00 H new ATOM 1966 N GLN B 653 5.229 -13.257 -9.529 1.00 0.00 N ATOM 1967 CA GLN B 653 6.351 -12.333 -9.643 1.00 0.00 C ATOM 1968 C GLN B 653 5.861 -10.907 -9.875 1.00 0.00 C ATOM 1969 O GLN B 653 6.389 -9.958 -9.297 1.00 0.00 O ATOM 1970 CB GLN B 653 7.275 -12.759 -10.786 1.00 0.00 C ATOM 1971 CG GLN B 653 6.581 -12.828 -12.136 1.00 0.00 C ATOM 1972 CD GLN B 653 7.483 -13.370 -13.228 1.00 0.00 C ATOM 1973 OE1 GLN B 653 7.528 -14.575 -13.472 1.00 0.00 O ATOM 1974 NE2 GLN B 653 8.207 -12.477 -13.893 1.00 0.00 N ATOM 0 H GLN B 653 5.089 -13.853 -10.345 1.00 0.00 H new ATOM 0 HA GLN B 653 6.907 -12.359 -8.706 1.00 0.00 H new ATOM 0 HB2 GLN B 653 8.107 -12.058 -10.850 1.00 0.00 H new ATOM 0 HB3 GLN B 653 7.699 -13.736 -10.554 1.00 0.00 H new ATOM 0 HG2 GLN B 653 5.696 -13.459 -12.054 1.00 0.00 H new ATOM 0 HG3 GLN B 653 6.237 -11.832 -12.415 1.00 0.00 H new ATOM 0 HE21 GLN B 653 8.138 -11.487 -13.657 1.00 0.00 H new ATOM 0 HE22 GLN B 653 8.832 -12.781 -14.640 1.00 0.00 H new ATOM 1981 N ALA B 654 4.848 -10.765 -10.722 1.00 0.00 N ATOM 1982 CA ALA B 654 4.285 -9.456 -11.029 1.00 0.00 C ATOM 1983 C ALA B 654 3.651 -8.828 -9.793 1.00 0.00 C ATOM 1984 O ALA B 654 3.928 -7.676 -9.459 1.00 0.00 O ATOM 1985 CB ALA B 654 3.262 -9.570 -12.150 1.00 0.00 C ATOM 0 H ALA B 654 4.400 -11.541 -11.209 1.00 0.00 H new ATOM 0 HA ALA B 654 5.097 -8.807 -11.358 1.00 0.00 H new ATOM 0 HB1 ALA B 654 2.850 -8.585 -12.368 1.00 0.00 H new ATOM 0 HB2 ALA B 654 3.744 -9.968 -13.043 1.00 0.00 H new ATOM 0 HB3 ALA B 654 2.458 -10.239 -11.843 1.00 0.00 H new ATOM 1991 N TRP B 655 2.799 -9.592 -9.118 1.00 0.00 N ATOM 1992 CA TRP B 655 2.125 -9.109 -7.919 1.00 0.00 C ATOM 1993 C TRP B 655 3.133 -8.600 -6.894 1.00 0.00 C ATOM 1994 O TRP B 655 3.021 -7.475 -6.408 1.00 0.00 O ATOM 1995 CB TRP B 655 1.273 -10.222 -7.304 1.00 0.00 C ATOM 1996 CG TRP B 655 0.299 -9.726 -6.279 1.00 0.00 C ATOM 1997 CD1 TRP B 655 -1.030 -9.472 -6.467 1.00 0.00 C ATOM 1998 CD2 TRP B 655 0.578 -9.424 -4.907 1.00 0.00 C ATOM 1999 NE1 TRP B 655 -1.593 -9.030 -5.294 1.00 0.00 N ATOM 2000 CE2 TRP B 655 -0.629 -8.993 -4.322 1.00 0.00 C ATOM 2001 CE3 TRP B 655 1.728 -9.478 -4.116 1.00 0.00 C ATOM 2002 CZ2 TRP B 655 -0.715 -8.617 -2.985 1.00 0.00 C ATOM 2003 CZ3 TRP B 655 1.641 -9.105 -2.788 1.00 0.00 C ATOM 2004 CH2 TRP B 655 0.427 -8.679 -2.232 1.00 0.00 C ATOM 0 H TRP B 655 2.559 -10.548 -9.381 1.00 0.00 H new ATOM 0 HA TRP B 655 1.477 -8.281 -8.206 1.00 0.00 H new ATOM 0 HB2 TRP B 655 0.727 -10.732 -8.097 1.00 0.00 H new ATOM 0 HB3 TRP B 655 1.930 -10.960 -6.844 1.00 0.00 H new ATOM 0 HD1 TRP B 655 -1.560 -9.600 -7.399 1.00 0.00 H new ATOM 0 HE1 TRP B 655 -2.571 -8.771 -5.168 1.00 0.00 H new ATOM 0 HE3 TRP B 655 2.668 -9.805 -4.535 1.00 0.00 H new ATOM 0 HZ2 TRP B 655 -1.650 -8.288 -2.556 1.00 0.00 H new ATOM 0 HZ3 TRP B 655 2.524 -9.142 -2.168 1.00 0.00 H new ATOM 0 HH2 TRP B 655 0.392 -8.394 -1.191 1.00 0.00 H new ATOM 2014 N GLN B 656 4.117 -9.434 -6.573 1.00 0.00 N ATOM 2015 CA GLN B 656 5.144 -9.066 -5.607 1.00 0.00 C ATOM 2016 C GLN B 656 5.766 -7.719 -5.959 1.00 0.00 C ATOM 2017 O GLN B 656 6.206 -6.978 -5.080 1.00 0.00 O ATOM 2018 CB GLN B 656 6.229 -10.143 -5.550 1.00 0.00 C ATOM 2019 CG GLN B 656 5.848 -11.347 -4.704 1.00 0.00 C ATOM 2020 CD GLN B 656 7.041 -11.972 -4.008 1.00 0.00 C ATOM 2021 OE1 GLN B 656 7.792 -12.740 -4.608 1.00 0.00 O ATOM 2022 NE2 GLN B 656 7.219 -11.646 -2.733 1.00 0.00 N ATOM 0 H GLN B 656 4.224 -10.368 -6.968 1.00 0.00 H new ATOM 0 HA GLN B 656 4.673 -8.982 -4.628 1.00 0.00 H new ATOM 0 HB2 GLN B 656 6.451 -10.477 -6.563 1.00 0.00 H new ATOM 0 HB3 GLN B 656 7.144 -9.704 -5.152 1.00 0.00 H new ATOM 0 HG2 GLN B 656 5.114 -11.044 -3.957 1.00 0.00 H new ATOM 0 HG3 GLN B 656 5.369 -12.094 -5.337 1.00 0.00 H new ATOM 0 HE21 GLN B 656 6.571 -11.005 -2.275 1.00 0.00 H new ATOM 0 HE22 GLN B 656 8.004 -12.037 -2.211 1.00 0.00 H new ATOM 2029 N ALA B 657 5.799 -7.407 -7.251 1.00 0.00 N ATOM 2030 CA ALA B 657 6.366 -6.149 -7.719 1.00 0.00 C ATOM 2031 C ALA B 657 5.348 -5.017 -7.615 1.00 0.00 C ATOM 2032 O ALA B 657 5.639 -3.960 -7.057 1.00 0.00 O ATOM 2033 CB ALA B 657 6.856 -6.291 -9.152 1.00 0.00 C ATOM 0 H ALA B 657 5.439 -8.009 -7.992 1.00 0.00 H new ATOM 0 HA ALA B 657 7.214 -5.901 -7.081 1.00 0.00 H new ATOM 0 HB1 ALA B 657 7.277 -5.343 -9.488 1.00 0.00 H new ATOM 0 HB2 ALA B 657 7.622 -7.065 -9.200 1.00 0.00 H new ATOM 0 HB3 ALA B 657 6.021 -6.566 -9.796 1.00 0.00 H new ATOM 2039 N GLN B 658 4.157 -5.247 -8.157 1.00 0.00 N ATOM 2040 CA GLN B 658 3.098 -4.245 -8.126 1.00 0.00 C ATOM 2041 C GLN B 658 2.793 -3.820 -6.694 1.00 0.00 C ATOM 2042 O GLN B 658 2.697 -2.629 -6.398 1.00 0.00 O ATOM 2043 CB GLN B 658 1.832 -4.790 -8.789 1.00 0.00 C ATOM 2044 CG GLN B 658 1.742 -4.483 -10.276 1.00 0.00 C ATOM 2045 CD GLN B 658 0.588 -5.196 -10.951 1.00 0.00 C ATOM 2046 OE1 GLN B 658 -0.373 -4.566 -11.392 1.00 0.00 O ATOM 2047 NE2 GLN B 658 0.677 -6.518 -11.035 1.00 0.00 N ATOM 0 H GLN B 658 3.901 -6.118 -8.623 1.00 0.00 H new ATOM 0 HA GLN B 658 3.442 -3.371 -8.680 1.00 0.00 H new ATOM 0 HB2 GLN B 658 1.794 -5.870 -8.647 1.00 0.00 H new ATOM 0 HB3 GLN B 658 0.960 -4.371 -8.287 1.00 0.00 H new ATOM 0 HG2 GLN B 658 1.631 -3.408 -10.415 1.00 0.00 H new ATOM 0 HG3 GLN B 658 2.675 -4.772 -10.760 1.00 0.00 H new ATOM 0 HE21 GLN B 658 1.492 -6.999 -10.656 1.00 0.00 H new ATOM 0 HE22 GLN B 658 -0.070 -7.052 -11.479 1.00 0.00 H new ATOM 2054 N TRP B 659 2.642 -4.800 -5.811 1.00 0.00 N ATOM 2055 CA TRP B 659 2.348 -4.526 -4.408 1.00 0.00 C ATOM 2056 C TRP B 659 3.344 -3.529 -3.828 1.00 0.00 C ATOM 2057 O TRP B 659 2.962 -2.459 -3.355 1.00 0.00 O ATOM 2058 CB TRP B 659 2.372 -5.822 -3.598 1.00 0.00 C ATOM 2059 CG TRP B 659 1.828 -5.666 -2.211 1.00 0.00 C ATOM 2060 CD1 TRP B 659 2.543 -5.651 -1.047 1.00 0.00 C ATOM 2061 CD2 TRP B 659 0.454 -5.505 -1.842 1.00 0.00 C ATOM 2062 NE1 TRP B 659 1.696 -5.490 0.024 1.00 0.00 N ATOM 2063 CE2 TRP B 659 0.409 -5.397 -0.437 1.00 0.00 C ATOM 2064 CE3 TRP B 659 -0.742 -5.441 -2.560 1.00 0.00 C ATOM 2065 CZ2 TRP B 659 -0.785 -5.229 0.258 1.00 0.00 C ATOM 2066 CZ3 TRP B 659 -1.927 -5.274 -1.868 1.00 0.00 C ATOM 2067 CH2 TRP B 659 -1.942 -5.169 -0.471 1.00 0.00 C ATOM 0 H TRP B 659 2.718 -5.791 -6.041 1.00 0.00 H new ATOM 0 HA TRP B 659 1.351 -4.089 -4.350 1.00 0.00 H new ATOM 0 HB2 TRP B 659 1.794 -6.581 -4.124 1.00 0.00 H new ATOM 0 HB3 TRP B 659 3.398 -6.186 -3.539 1.00 0.00 H new ATOM 0 HD1 TRP B 659 3.616 -5.751 -0.978 1.00 0.00 H new ATOM 0 HE1 TRP B 659 1.980 -5.447 1.003 1.00 0.00 H new ATOM 0 HE3 TRP B 659 -0.741 -5.521 -3.637 1.00 0.00 H new ATOM 0 HZ2 TRP B 659 -0.798 -5.149 1.335 1.00 0.00 H new ATOM 0 HZ3 TRP B 659 -2.858 -5.224 -2.414 1.00 0.00 H new ATOM 0 HH2 TRP B 659 -2.884 -5.038 0.040 1.00 0.00 H new ATOM 2077 N ASN B 660 4.623 -3.887 -3.866 1.00 0.00 N ATOM 2078 CA ASN B 660 5.675 -3.023 -3.342 1.00 0.00 C ATOM 2079 C ASN B 660 5.557 -1.614 -3.916 1.00 0.00 C ATOM 2080 O ASN B 660 5.778 -0.628 -3.214 1.00 0.00 O ATOM 2081 CB ASN B 660 7.051 -3.605 -3.669 1.00 0.00 C ATOM 2082 CG ASN B 660 7.931 -3.737 -2.440 1.00 0.00 C ATOM 2083 OD1 ASN B 660 8.698 -2.832 -2.113 1.00 0.00 O ATOM 2084 ND2 ASN B 660 7.821 -4.869 -1.754 1.00 0.00 N ATOM 0 H ASN B 660 4.956 -4.769 -4.254 1.00 0.00 H new ATOM 0 HA ASN B 660 5.560 -2.967 -2.260 1.00 0.00 H new ATOM 0 HB2 ASN B 660 6.928 -4.585 -4.131 1.00 0.00 H new ATOM 0 HB3 ASN B 660 7.547 -2.968 -4.401 1.00 0.00 H new ATOM 0 HD21 ASN B 660 8.386 -5.016 -0.918 1.00 0.00 H new ATOM 0 HD22 ASN B 660 7.171 -5.592 -2.063 1.00 0.00 H new ATOM 2090 N GLN B 661 5.208 -1.529 -5.196 1.00 0.00 N ATOM 2091 CA GLN B 661 5.061 -0.241 -5.863 1.00 0.00 C ATOM 2092 C GLN B 661 3.852 0.516 -5.323 1.00 0.00 C ATOM 2093 O GLN B 661 3.876 1.741 -5.208 1.00 0.00 O ATOM 2094 CB GLN B 661 4.922 -0.438 -7.373 1.00 0.00 C ATOM 2095 CG GLN B 661 6.211 -0.873 -8.051 1.00 0.00 C ATOM 2096 CD GLN B 661 7.267 0.215 -8.052 1.00 0.00 C ATOM 2097 OE1 GLN B 661 7.032 1.323 -8.535 1.00 0.00 O ATOM 2098 NE2 GLN B 661 8.438 -0.094 -7.508 1.00 0.00 N ATOM 0 H GLN B 661 5.022 -2.336 -5.791 1.00 0.00 H new ATOM 0 HA GLN B 661 5.955 0.349 -5.662 1.00 0.00 H new ATOM 0 HB2 GLN B 661 4.151 -1.184 -7.564 1.00 0.00 H new ATOM 0 HB3 GLN B 661 4.581 0.495 -7.823 1.00 0.00 H new ATOM 0 HG2 GLN B 661 6.604 -1.755 -7.544 1.00 0.00 H new ATOM 0 HG3 GLN B 661 5.995 -1.166 -9.079 1.00 0.00 H new ATOM 0 HE21 GLN B 661 8.590 -1.025 -7.119 1.00 0.00 H new ATOM 0 HE22 GLN B 661 9.186 0.599 -7.479 1.00 0.00 H new ATOM 2105 N ALA B 662 2.796 -0.220 -4.995 1.00 0.00 N ATOM 2106 CA ALA B 662 1.578 0.381 -4.467 1.00 0.00 C ATOM 2107 C ALA B 662 1.799 0.921 -3.058 1.00 0.00 C ATOM 2108 O ALA B 662 1.546 2.094 -2.784 1.00 0.00 O ATOM 2109 CB ALA B 662 0.443 -0.631 -4.474 1.00 0.00 C ATOM 0 H ALA B 662 2.759 -1.235 -5.086 1.00 0.00 H new ATOM 0 HA ALA B 662 1.307 1.218 -5.111 1.00 0.00 H new ATOM 0 HB1 ALA B 662 -0.460 -0.168 -4.077 1.00 0.00 H new ATOM 0 HB2 ALA B 662 0.260 -0.966 -5.495 1.00 0.00 H new ATOM 0 HB3 ALA B 662 0.714 -1.486 -3.855 1.00 0.00 H new ATOM 2115 N MET B 663 2.273 0.056 -2.166 1.00 0.00 N ATOM 2116 CA MET B 663 2.528 0.447 -0.784 1.00 0.00 C ATOM 2117 C MET B 663 3.554 1.575 -0.719 1.00 0.00 C ATOM 2118 O MET B 663 3.341 2.579 -0.040 1.00 0.00 O ATOM 2119 CB MET B 663 3.022 -0.754 0.025 1.00 0.00 C ATOM 2120 CG MET B 663 2.166 -1.997 -0.150 1.00 0.00 C ATOM 2121 SD MET B 663 0.416 -1.685 0.153 1.00 0.00 S ATOM 2122 CE MET B 663 0.502 -0.696 1.645 1.00 0.00 C ATOM 0 H MET B 663 2.488 -0.919 -2.375 1.00 0.00 H new ATOM 0 HA MET B 663 1.592 0.805 -0.355 1.00 0.00 H new ATOM 0 HB2 MET B 663 4.046 -0.984 -0.269 1.00 0.00 H new ATOM 0 HB3 MET B 663 3.046 -0.485 1.081 1.00 0.00 H new ATOM 0 HG2 MET B 663 2.292 -2.381 -1.162 1.00 0.00 H new ATOM 0 HG3 MET B 663 2.516 -2.773 0.531 1.00 0.00 H new ATOM 0 HE1 MET B 663 -0.403 -0.846 2.234 1.00 0.00 H new ATOM 0 HE2 MET B 663 1.370 -0.997 2.231 1.00 0.00 H new ATOM 0 HE3 MET B 663 0.591 0.357 1.379 1.00 0.00 H new ATOM 2130 N GLU B 664 4.664 1.401 -1.429 1.00 0.00 N ATOM 2131 CA GLU B 664 5.721 2.405 -1.449 1.00 0.00 C ATOM 2132 C GLU B 664 5.173 3.764 -1.876 1.00 0.00 C ATOM 2133 O GLU B 664 5.648 4.806 -1.425 1.00 0.00 O ATOM 2134 CB GLU B 664 6.845 1.976 -2.394 1.00 0.00 C ATOM 2135 CG GLU B 664 8.006 2.954 -2.444 1.00 0.00 C ATOM 2136 CD GLU B 664 9.276 2.326 -2.986 1.00 0.00 C ATOM 2137 OE1 GLU B 664 9.779 1.370 -2.360 1.00 0.00 O ATOM 2138 OE2 GLU B 664 9.765 2.792 -4.036 1.00 0.00 O ATOM 0 H GLU B 664 4.854 0.576 -1.997 1.00 0.00 H new ATOM 0 HA GLU B 664 6.120 2.495 -0.439 1.00 0.00 H new ATOM 0 HB2 GLU B 664 7.217 1.000 -2.083 1.00 0.00 H new ATOM 0 HB3 GLU B 664 6.438 1.857 -3.398 1.00 0.00 H new ATOM 0 HG2 GLU B 664 7.732 3.806 -3.067 1.00 0.00 H new ATOM 0 HG3 GLU B 664 8.195 3.339 -1.442 1.00 0.00 H new ATOM 2143 N ASP B 665 4.172 3.743 -2.749 1.00 0.00 N ATOM 2144 CA ASP B 665 3.558 4.972 -3.239 1.00 0.00 C ATOM 2145 C ASP B 665 2.710 5.626 -2.152 1.00 0.00 C ATOM 2146 O ASP B 665 2.847 6.817 -1.874 1.00 0.00 O ATOM 2147 CB ASP B 665 2.700 4.684 -4.470 1.00 0.00 C ATOM 2148 CG ASP B 665 2.323 5.944 -5.222 1.00 0.00 C ATOM 2149 OD1 ASP B 665 2.215 7.009 -4.578 1.00 0.00 O ATOM 2150 OD2 ASP B 665 2.137 5.868 -6.455 1.00 0.00 O ATOM 0 H ASP B 665 3.768 2.888 -3.132 1.00 0.00 H new ATOM 0 HA ASP B 665 4.355 5.662 -3.517 1.00 0.00 H new ATOM 0 HB2 ASP B 665 3.242 4.014 -5.138 1.00 0.00 H new ATOM 0 HB3 ASP B 665 1.793 4.163 -4.163 1.00 0.00 H new ATOM 2154 N LEU B 666 1.831 4.838 -1.541 1.00 0.00 N ATOM 2155 CA LEU B 666 0.958 5.339 -0.485 1.00 0.00 C ATOM 2156 C LEU B 666 1.772 5.952 0.649 1.00 0.00 C ATOM 2157 O LEU B 666 1.480 7.054 1.112 1.00 0.00 O ATOM 2158 CB LEU B 666 0.078 4.210 0.054 1.00 0.00 C ATOM 2159 CG LEU B 666 -0.657 3.373 -0.994 1.00 0.00 C ATOM 2160 CD1 LEU B 666 -0.714 1.915 -0.566 1.00 0.00 C ATOM 2161 CD2 LEU B 666 -2.059 3.918 -1.224 1.00 0.00 C ATOM 0 H LEU B 666 1.704 3.850 -1.759 1.00 0.00 H new ATOM 0 HA LEU B 666 0.322 6.115 -0.910 1.00 0.00 H new ATOM 0 HB2 LEU B 666 0.701 3.544 0.650 1.00 0.00 H new ATOM 0 HB3 LEU B 666 -0.661 4.643 0.728 1.00 0.00 H new ATOM 0 HG LEU B 666 -0.106 3.434 -1.933 1.00 0.00 H new ATOM 0 HD11 LEU B 666 -1.240 1.334 -1.323 1.00 0.00 H new ATOM 0 HD12 LEU B 666 0.299 1.529 -0.452 1.00 0.00 H new ATOM 0 HD13 LEU B 666 -1.242 1.835 0.384 1.00 0.00 H new ATOM 0 HD21 LEU B 666 -2.567 3.310 -1.973 1.00 0.00 H new ATOM 0 HD22 LEU B 666 -2.619 3.887 -0.290 1.00 0.00 H new ATOM 0 HD23 LEU B 666 -1.996 4.948 -1.575 1.00 0.00 H new ATOM 2172 N VAL B 667 2.797 5.230 1.092 1.00 0.00 N ATOM 2173 CA VAL B 667 3.657 5.703 2.170 1.00 0.00 C ATOM 2174 C VAL B 667 4.164 7.114 1.890 1.00 0.00 C ATOM 2175 O VAL B 667 4.053 8.003 2.734 1.00 0.00 O ATOM 2176 CB VAL B 667 4.862 4.768 2.379 1.00 0.00 C ATOM 2177 CG1 VAL B 667 5.687 5.218 3.575 1.00 0.00 C ATOM 2178 CG2 VAL B 667 4.397 3.330 2.551 1.00 0.00 C ATOM 0 H VAL B 667 3.052 4.315 0.720 1.00 0.00 H new ATOM 0 HA VAL B 667 3.052 5.711 3.077 1.00 0.00 H new ATOM 0 HB VAL B 667 5.495 4.817 1.493 1.00 0.00 H new ATOM 0 HG11 VAL B 667 6.534 4.545 3.707 1.00 0.00 H new ATOM 0 HG12 VAL B 667 6.052 6.231 3.405 1.00 0.00 H new ATOM 0 HG13 VAL B 667 5.067 5.201 4.472 1.00 0.00 H new ATOM 0 HG21 VAL B 667 5.262 2.683 2.698 1.00 0.00 H new ATOM 0 HG22 VAL B 667 3.741 3.261 3.419 1.00 0.00 H new ATOM 0 HG23 VAL B 667 3.854 3.014 1.660 1.00 0.00 H new ATOM 2188 N ARG B 668 4.719 7.312 0.698 1.00 0.00 N ATOM 2189 CA ARG B 668 5.244 8.613 0.306 1.00 0.00 C ATOM 2190 C ARG B 668 4.112 9.611 0.080 1.00 0.00 C ATOM 2191 O ARG B 668 4.272 10.810 0.304 1.00 0.00 O ATOM 2192 CB ARG B 668 6.088 8.486 -0.963 1.00 0.00 C ATOM 2193 CG ARG B 668 7.250 7.516 -0.827 1.00 0.00 C ATOM 2194 CD ARG B 668 7.908 7.244 -2.171 1.00 0.00 C ATOM 2195 NE ARG B 668 9.074 8.096 -2.390 1.00 0.00 N ATOM 2196 CZ ARG B 668 9.864 8.001 -3.455 1.00 0.00 C ATOM 2197 NH1 ARG B 668 9.612 7.098 -4.392 1.00 0.00 N ATOM 2198 NH2 ARG B 668 10.906 8.812 -3.584 1.00 0.00 N ATOM 0 H ARG B 668 4.816 6.587 -0.013 1.00 0.00 H new ATOM 0 HA ARG B 668 5.873 8.981 1.116 1.00 0.00 H new ATOM 0 HB2 ARG B 668 5.448 8.161 -1.784 1.00 0.00 H new ATOM 0 HB3 ARG B 668 6.476 9.469 -1.231 1.00 0.00 H new ATOM 0 HG2 ARG B 668 7.987 7.924 -0.136 1.00 0.00 H new ATOM 0 HG3 ARG B 668 6.895 6.579 -0.398 1.00 0.00 H new ATOM 0 HD2 ARG B 668 8.208 6.198 -2.223 1.00 0.00 H new ATOM 0 HD3 ARG B 668 7.184 7.408 -2.969 1.00 0.00 H new ATOM 0 HE ARG B 668 9.294 8.802 -1.688 1.00 0.00 H new ATOM 0 HH11 ARG B 668 8.811 6.474 -4.297 1.00 0.00 H new ATOM 0 HH12 ARG B 668 10.219 7.027 -5.208 1.00 0.00 H new ATOM 0 HH21 ARG B 668 11.102 9.509 -2.866 1.00 0.00 H new ATOM 0 HH22 ARG B 668 11.512 8.738 -4.402 1.00 0.00 H new ATOM 2209 N ALA B 669 2.967 9.105 -0.367 1.00 0.00 N ATOM 2210 CA ALA B 669 1.806 9.950 -0.624 1.00 0.00 C ATOM 2211 C ALA B 669 1.420 10.744 0.620 1.00 0.00 C ATOM 2212 O ALA B 669 1.174 11.948 0.547 1.00 0.00 O ATOM 2213 CB ALA B 669 0.633 9.107 -1.099 1.00 0.00 C ATOM 0 H ALA B 669 2.818 8.114 -0.559 1.00 0.00 H new ATOM 0 HA ALA B 669 2.070 10.659 -1.409 1.00 0.00 H new ATOM 0 HB1 ALA B 669 -0.226 9.751 -1.287 1.00 0.00 H new ATOM 0 HB2 ALA B 669 0.906 8.589 -2.019 1.00 0.00 H new ATOM 0 HB3 ALA B 669 0.377 8.375 -0.333 1.00 0.00 H new ATOM 2219 N TYR B 670 1.370 10.063 1.759 1.00 0.00 N ATOM 2220 CA TYR B 670 1.011 10.704 3.018 1.00 0.00 C ATOM 2221 C TYR B 670 2.017 11.791 3.382 1.00 0.00 C ATOM 2222 O TYR B 670 1.653 12.952 3.576 1.00 0.00 O ATOM 2223 CB TYR B 670 0.935 9.667 4.139 1.00 0.00 C ATOM 2224 CG TYR B 670 0.273 10.183 5.397 1.00 0.00 C ATOM 2225 CD1 TYR B 670 0.930 11.073 6.237 1.00 0.00 C ATOM 2226 CD2 TYR B 670 -1.011 9.780 5.745 1.00 0.00 C ATOM 2227 CE1 TYR B 670 0.329 11.546 7.388 1.00 0.00 C ATOM 2228 CE2 TYR B 670 -1.620 10.249 6.893 1.00 0.00 C ATOM 2229 CZ TYR B 670 -0.946 11.131 7.711 1.00 0.00 C ATOM 2230 OH TYR B 670 -1.549 11.601 8.856 1.00 0.00 O ATOM 0 H TYR B 670 1.574 9.067 1.836 1.00 0.00 H new ATOM 0 HA TYR B 670 0.032 11.167 2.894 1.00 0.00 H new ATOM 0 HB2 TYR B 670 0.386 8.796 3.780 1.00 0.00 H new ATOM 0 HB3 TYR B 670 1.943 9.331 4.381 1.00 0.00 H new ATOM 0 HD1 TYR B 670 1.928 11.401 5.986 1.00 0.00 H new ATOM 0 HD2 TYR B 670 -1.542 9.089 5.107 1.00 0.00 H new ATOM 0 HE1 TYR B 670 0.855 12.237 8.031 1.00 0.00 H new ATOM 0 HE2 TYR B 670 -2.619 9.927 7.148 1.00 0.00 H new ATOM 0 HH TYR B 670 -2.445 11.213 8.937 1.00 0.00 H new ATOM 2239 N HIS B 671 3.287 11.407 3.474 1.00 0.00 N ATOM 2240 CA HIS B 671 4.348 12.348 3.814 1.00 0.00 C ATOM 2241 C HIS B 671 4.416 13.481 2.793 1.00 0.00 C ATOM 2242 O HIS B 671 4.937 14.558 3.082 1.00 0.00 O ATOM 2243 CB HIS B 671 5.694 11.627 3.883 1.00 0.00 C ATOM 2244 CG HIS B 671 6.817 12.499 4.356 1.00 0.00 C ATOM 2245 ND1 HIS B 671 7.597 13.251 3.504 1.00 0.00 N ATOM 2246 CD2 HIS B 671 7.287 12.738 5.603 1.00 0.00 C ATOM 2247 CE1 HIS B 671 8.500 13.913 4.204 1.00 0.00 C ATOM 2248 NE2 HIS B 671 8.332 13.619 5.481 1.00 0.00 N ATOM 0 H HIS B 671 3.606 10.451 3.318 1.00 0.00 H new ATOM 0 HA HIS B 671 4.123 12.775 4.791 1.00 0.00 H new ATOM 0 HB2 HIS B 671 5.604 10.770 4.551 1.00 0.00 H new ATOM 0 HB3 HIS B 671 5.939 11.237 2.895 1.00 0.00 H new ATOM 0 HD2 HIS B 671 6.910 12.314 6.522 1.00 0.00 H new ATOM 0 HE1 HIS B 671 9.248 14.580 3.802 1.00 0.00 H new ATOM 0 HE2 HIS B 671 8.889 13.987 6.252 1.00 0.00 H new ATOM 2255 N ALA B 672 3.888 13.229 1.601 1.00 0.00 N ATOM 2256 CA ALA B 672 3.887 14.228 0.539 1.00 0.00 C ATOM 2257 C ALA B 672 3.288 15.544 1.023 1.00 0.00 C ATOM 2258 O ALA B 672 3.766 16.622 0.671 1.00 0.00 O ATOM 2259 CB ALA B 672 3.125 13.711 -0.672 1.00 0.00 C ATOM 0 H ALA B 672 3.455 12.341 1.346 1.00 0.00 H new ATOM 0 HA ALA B 672 4.921 14.415 0.250 1.00 0.00 H new ATOM 0 HB1 ALA B 672 3.133 14.467 -1.457 1.00 0.00 H new ATOM 0 HB2 ALA B 672 3.600 12.802 -1.040 1.00 0.00 H new ATOM 0 HB3 ALA B 672 2.095 13.493 -0.388 1.00 0.00 H new ATOM 2265 N MET B 673 2.238 15.448 1.832 1.00 0.00 N ATOM 2266 CA MET B 673 1.574 16.633 2.365 1.00 0.00 C ATOM 2267 C MET B 673 2.556 17.503 3.141 1.00 0.00 C ATOM 2268 O MET B 673 2.428 18.728 3.167 1.00 0.00 O ATOM 2269 CB MET B 673 0.409 16.226 3.269 1.00 0.00 C ATOM 2270 CG MET B 673 -0.610 15.330 2.583 1.00 0.00 C ATOM 2271 SD MET B 673 -1.273 14.063 3.682 1.00 0.00 S ATOM 2272 CE MET B 673 -1.596 15.030 5.156 1.00 0.00 C ATOM 0 H MET B 673 1.829 14.563 2.133 1.00 0.00 H new ATOM 0 HA MET B 673 1.188 17.212 1.526 1.00 0.00 H new ATOM 0 HB2 MET B 673 0.803 15.710 4.145 1.00 0.00 H new ATOM 0 HB3 MET B 673 -0.093 17.125 3.627 1.00 0.00 H new ATOM 0 HG2 MET B 673 -1.429 15.942 2.204 1.00 0.00 H new ATOM 0 HG3 MET B 673 -0.145 14.851 1.721 1.00 0.00 H new ATOM 0 HE1 MET B 673 -2.415 14.578 5.715 1.00 0.00 H new ATOM 0 HE2 MET B 673 -0.701 15.054 5.778 1.00 0.00 H new ATOM 0 HE3 MET B 673 -1.868 16.047 4.872 1.00 0.00 H new