USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=18 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: B 652 TYR OH : rot 100:sc= 0.0879 USER MOD Set 1.2: B 653 GLN : amide:sc= 0.0813 X(o=0.17,f=0.41) USER MOD Set 2.1: B 637 GLN : amide:sc= -0.482 X(o=-0.93,f=-1.3) USER MOD Set 2.2: B 641 GLN : amide:sc= -0.429 X(o=-0.93,f=-1.4) USER MOD Set 2.3: B 656 GLN :FLIP amide:sc= -0.0219 F(o=-1.7,f=-0.93) USER MOD Set 3.1: A 75 ASN : amide:sc= 0.689 X(o=1.1,f=0.74) USER MOD Set 3.2: B 648 THR OG1 : rot -81:sc= 0.439 USER MOD Set 4.1: A 66 ASN :FLIP amide:sc= -0.0756 F(o=0.24,f=1) USER MOD Set 4.2: A 67 THR OG1 : rot 80:sc= 1.1 USER MOD Single : A 21 LYS NZ :NH3+ -124:sc= -1.05 (180deg=-4.26!) USER MOD Single : A 25 MET CE :methyl 175:sc= -2.5 (180deg=-2.55) USER MOD Single : A 27 HIS : no HD1:sc= -1.01 X(o=-1,f=-1) USER MOD Single : A 28 THR OG1 : rot -106:sc= -0.628 USER MOD Single : A 31 GLN : amide:sc= -0.0431 X(o=-0.043,f=-0.043) USER MOD Single : A 52 GLN : amide:sc= -0.208 K(o=-0.21,f=-1.4!) USER MOD Single : A 55 HIS :FLIP no HD1:sc= -0.123 F(o=-0.85,f=-0.12) USER MOD Single : A 64 LYS NZ :NH3+ -170:sc= -0.963 (180deg=-1.17) USER MOD Single : A 73 GLN : amide:sc=-0.000383 K(o=-0.00038,f=-0.53) USER MOD Single : B 622 TYR OH : rot 180:sc= 0 USER MOD Single : B 625 THR OG1 : rot 88:sc= 0.21 USER MOD Single : B 627 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 628 SER OG : rot 180:sc= 0 USER MOD Single : B 642 SER OG : rot 180:sc= 0 USER MOD Single : B 645 GLN : amide:sc= -0.247 X(o=-0.25,f=-0.066) USER MOD Single : B 651 THR OG1 : rot 180:sc= 0 USER MOD Single : B 658 GLN : amide:sc= -2.94 K(o=-2.9,f=-6.9!) USER MOD Single : B 660 ASN : amide:sc= 0 X(o=0,f=-0.052) USER MOD Single : B 661 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 663 MET CE :methyl -175:sc= -2.15 (180deg=-2.17) USER MOD Single : B 670 TYR OH : rot 180:sc= 0 USER MOD Single : B 671 HIS : no HD1:sc= -0.0988 X(o=-0.099,f=-0.012) USER MOD Single : B 673 MET CE :methyl 164:sc= -0.0565 (180deg=-0.523) USER MOD ----------------------------------------------------------------- ATOM 222 N ALA A 17 -6.533 -16.942 6.475 1.00 0.00 N ATOM 223 CA ALA A 17 -5.825 -15.922 7.240 1.00 0.00 C ATOM 224 C ALA A 17 -5.543 -14.691 6.385 1.00 0.00 C ATOM 225 O ALA A 17 -5.428 -13.579 6.900 1.00 0.00 O ATOM 226 CB ALA A 17 -4.528 -16.487 7.799 1.00 0.00 C ATOM 0 HA ALA A 17 -6.463 -15.617 8.070 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -4.010 -15.715 8.368 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -4.750 -17.331 8.452 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -3.893 -16.821 6.978 1.00 0.00 H new ATOM 232 N PHE A 18 -5.430 -14.899 5.077 1.00 0.00 N ATOM 233 CA PHE A 18 -5.161 -13.805 4.151 1.00 0.00 C ATOM 234 C PHE A 18 -6.323 -12.818 4.121 1.00 0.00 C ATOM 235 O PHE A 18 -6.126 -11.607 4.223 1.00 0.00 O ATOM 236 CB PHE A 18 -4.905 -14.352 2.745 1.00 0.00 C ATOM 237 CG PHE A 18 -4.415 -13.313 1.777 1.00 0.00 C ATOM 238 CD1 PHE A 18 -3.135 -12.794 1.887 1.00 0.00 C ATOM 239 CD2 PHE A 18 -5.233 -12.856 0.757 1.00 0.00 C ATOM 240 CE1 PHE A 18 -2.682 -11.836 0.999 1.00 0.00 C ATOM 241 CE2 PHE A 18 -4.785 -11.900 -0.135 1.00 0.00 C ATOM 242 CZ PHE A 18 -3.507 -11.391 -0.014 1.00 0.00 C ATOM 0 H PHE A 18 -5.520 -15.814 4.635 1.00 0.00 H new ATOM 0 HA PHE A 18 -4.271 -13.279 4.498 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.171 -15.156 2.805 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.827 -14.789 2.361 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -2.484 -13.142 2.675 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -6.233 -13.251 0.657 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.684 -11.436 1.098 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -5.433 -11.552 -0.925 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.154 -10.646 -0.711 1.00 0.00 H new ATOM 251 N ALA A 19 -7.536 -13.344 3.978 1.00 0.00 N ATOM 252 CA ALA A 19 -8.729 -12.509 3.935 1.00 0.00 C ATOM 253 C ALA A 19 -8.773 -11.553 5.122 1.00 0.00 C ATOM 254 O ALA A 19 -9.019 -10.358 4.960 1.00 0.00 O ATOM 255 CB ALA A 19 -9.979 -13.377 3.908 1.00 0.00 C ATOM 0 H ALA A 19 -7.717 -14.344 3.890 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.693 -11.913 3.023 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -10.863 -12.741 3.876 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -9.959 -14.016 3.025 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -10.011 -13.997 4.804 1.00 0.00 H new ATOM 261 N ALA A 20 -8.535 -12.087 6.316 1.00 0.00 N ATOM 262 CA ALA A 20 -8.546 -11.280 7.529 1.00 0.00 C ATOM 263 C ALA A 20 -7.506 -10.167 7.458 1.00 0.00 C ATOM 264 O ALA A 20 -7.697 -9.088 8.020 1.00 0.00 O ATOM 265 CB ALA A 20 -8.301 -12.157 8.749 1.00 0.00 C ATOM 0 H ALA A 20 -8.332 -13.075 6.468 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.529 -10.818 7.619 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.312 -11.541 9.648 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -9.084 -12.912 8.817 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -7.332 -12.647 8.656 1.00 0.00 H new ATOM 271 N LYS A 21 -6.405 -10.436 6.766 1.00 0.00 N ATOM 272 CA LYS A 21 -5.333 -9.458 6.621 1.00 0.00 C ATOM 273 C LYS A 21 -5.712 -8.383 5.608 1.00 0.00 C ATOM 274 O LYS A 21 -5.590 -7.190 5.880 1.00 0.00 O ATOM 275 CB LYS A 21 -4.039 -10.150 6.187 1.00 0.00 C ATOM 276 CG LYS A 21 -3.235 -10.717 7.345 1.00 0.00 C ATOM 277 CD LYS A 21 -2.083 -9.802 7.726 1.00 0.00 C ATOM 278 CE LYS A 21 -2.483 -8.830 8.824 1.00 0.00 C ATOM 279 NZ LYS A 21 -1.481 -8.793 9.926 1.00 0.00 N ATOM 0 H LYS A 21 -6.231 -11.324 6.296 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.176 -8.981 7.589 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.282 -10.956 5.495 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.421 -9.437 5.641 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -3.887 -10.860 8.206 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.847 -11.698 7.073 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.236 -10.401 8.060 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.753 -9.246 6.849 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.595 -7.831 8.402 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.455 -9.117 9.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.950 -9.008 10.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.739 -9.499 9.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.054 -7.846 9.975 1.00 0.00 H new ATOM 289 N ALA A 22 -6.173 -8.815 4.438 1.00 0.00 N ATOM 290 CA ALA A 22 -6.573 -7.889 3.386 1.00 0.00 C ATOM 291 C ALA A 22 -7.598 -6.884 3.899 1.00 0.00 C ATOM 292 O ALA A 22 -7.523 -5.694 3.592 1.00 0.00 O ATOM 293 CB ALA A 22 -7.131 -8.654 2.194 1.00 0.00 C ATOM 0 H ALA A 22 -6.278 -9.800 4.195 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.689 -7.336 3.068 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.426 -7.950 1.416 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.368 -9.327 1.804 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.000 -9.233 2.508 1.00 0.00 H new ATOM 299 N GLY A 23 -8.555 -7.369 4.683 1.00 0.00 N ATOM 300 CA GLY A 23 -9.582 -6.498 5.226 1.00 0.00 C ATOM 301 C GLY A 23 -9.027 -5.496 6.219 1.00 0.00 C ATOM 302 O GLY A 23 -9.601 -4.425 6.417 1.00 0.00 O ATOM 0 H GLY A 23 -8.638 -8.349 4.952 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.070 -5.964 4.410 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.346 -7.103 5.714 1.00 0.00 H new ATOM 306 N LEU A 24 -7.909 -5.844 6.845 1.00 0.00 N ATOM 307 CA LEU A 24 -7.276 -4.967 7.824 1.00 0.00 C ATOM 308 C LEU A 24 -6.541 -3.822 7.136 1.00 0.00 C ATOM 309 O LEU A 24 -6.356 -2.752 7.717 1.00 0.00 O ATOM 310 CB LEU A 24 -6.302 -5.762 8.697 1.00 0.00 C ATOM 311 CG LEU A 24 -6.365 -5.483 10.199 1.00 0.00 C ATOM 312 CD1 LEU A 24 -6.035 -6.739 10.990 1.00 0.00 C ATOM 313 CD2 LEU A 24 -5.417 -4.352 10.571 1.00 0.00 C ATOM 0 H LEU A 24 -7.422 -6.727 6.693 1.00 0.00 H new ATOM 0 HA LEU A 24 -8.058 -4.545 8.455 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.486 -6.824 8.537 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.288 -5.559 8.352 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.381 -5.177 10.450 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.085 -6.521 12.057 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.753 -7.522 10.746 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.030 -7.076 10.735 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.475 -4.167 11.644 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.397 -4.630 10.305 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.699 -3.448 10.031 1.00 0.00 H new ATOM 324 N MET A 25 -6.127 -4.053 5.894 1.00 0.00 N ATOM 325 CA MET A 25 -5.415 -3.039 5.125 1.00 0.00 C ATOM 326 C MET A 25 -6.309 -1.832 4.860 1.00 0.00 C ATOM 327 O MET A 25 -5.971 -0.706 5.223 1.00 0.00 O ATOM 328 CB MET A 25 -4.922 -3.625 3.801 1.00 0.00 C ATOM 329 CG MET A 25 -4.377 -2.581 2.840 1.00 0.00 C ATOM 330 SD MET A 25 -3.023 -1.625 3.550 1.00 0.00 S ATOM 331 CE MET A 25 -1.720 -2.852 3.578 1.00 0.00 C ATOM 0 H MET A 25 -6.272 -4.933 5.399 1.00 0.00 H new ATOM 0 HA MET A 25 -4.556 -2.711 5.710 1.00 0.00 H new ATOM 0 HB2 MET A 25 -4.144 -4.360 4.006 1.00 0.00 H new ATOM 0 HB3 MET A 25 -5.743 -4.156 3.320 1.00 0.00 H new ATOM 0 HG2 MET A 25 -4.031 -3.074 1.931 1.00 0.00 H new ATOM 0 HG3 MET A 25 -5.181 -1.905 2.550 1.00 0.00 H new ATOM 0 HE1 MET A 25 -0.791 -2.388 3.909 1.00 0.00 H new ATOM 0 HE2 MET A 25 -1.990 -3.654 4.265 1.00 0.00 H new ATOM 0 HE3 MET A 25 -1.585 -3.262 2.577 1.00 0.00 H new ATOM 339 N ARG A 26 -7.450 -2.075 4.222 1.00 0.00 N ATOM 340 CA ARG A 26 -8.391 -1.007 3.907 1.00 0.00 C ATOM 341 C ARG A 26 -8.793 -0.246 5.167 1.00 0.00 C ATOM 342 O ARG A 26 -9.170 0.924 5.105 1.00 0.00 O ATOM 343 CB ARG A 26 -9.635 -1.580 3.225 1.00 0.00 C ATOM 344 CG ARG A 26 -10.352 -2.635 4.052 1.00 0.00 C ATOM 345 CD ARG A 26 -11.777 -2.848 3.569 1.00 0.00 C ATOM 346 NE ARG A 26 -12.393 -4.023 4.180 1.00 0.00 N ATOM 347 CZ ARG A 26 -13.704 -4.232 4.216 1.00 0.00 C ATOM 348 NH1 ARG A 26 -14.534 -3.347 3.680 1.00 0.00 N ATOM 349 NH2 ARG A 26 -14.188 -5.325 4.790 1.00 0.00 N ATOM 0 H ARG A 26 -7.745 -3.002 3.914 1.00 0.00 H new ATOM 0 HA ARG A 26 -7.899 -0.312 3.226 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -10.328 -0.767 3.010 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -9.347 -2.015 2.268 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -9.804 -3.576 3.998 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -10.363 -2.332 5.099 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -12.373 -1.965 3.799 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -11.779 -2.960 2.485 1.00 0.00 H new ATOM 0 HE ARG A 26 -11.782 -4.722 4.603 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -14.166 -2.504 3.239 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -15.541 -3.509 3.709 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -13.553 -6.007 5.205 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -15.195 -5.484 4.817 1.00 0.00 H new ATOM 360 N HIS A 27 -8.711 -0.919 6.310 1.00 0.00 N ATOM 361 CA HIS A 27 -9.066 -0.308 7.586 1.00 0.00 C ATOM 362 C HIS A 27 -8.085 0.803 7.947 1.00 0.00 C ATOM 363 O HIS A 27 -8.475 1.840 8.486 1.00 0.00 O ATOM 364 CB HIS A 27 -9.090 -1.362 8.692 1.00 0.00 C ATOM 365 CG HIS A 27 -9.582 -0.840 10.007 1.00 0.00 C ATOM 366 ND1 HIS A 27 -10.289 0.337 10.132 1.00 0.00 N ATOM 367 CD2 HIS A 27 -9.467 -1.343 11.258 1.00 0.00 C ATOM 368 CE1 HIS A 27 -10.586 0.537 11.404 1.00 0.00 C ATOM 369 NE2 HIS A 27 -10.098 -0.468 12.109 1.00 0.00 N ATOM 0 H HIS A 27 -8.402 -1.888 6.379 1.00 0.00 H new ATOM 0 HA HIS A 27 -10.061 0.127 7.488 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -9.725 -2.191 8.379 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -8.085 -1.762 8.823 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -8.971 -2.261 11.536 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -11.134 1.379 11.800 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -10.177 -0.577 13.120 1.00 0.00 H new ATOM 376 N THR A 28 -6.809 0.580 7.647 1.00 0.00 N ATOM 377 CA THR A 28 -5.773 1.562 7.942 1.00 0.00 C ATOM 378 C THR A 28 -5.982 2.841 7.139 1.00 0.00 C ATOM 379 O THR A 28 -5.977 3.940 7.695 1.00 0.00 O ATOM 380 CB THR A 28 -4.370 1.004 7.639 1.00 0.00 C ATOM 381 OG1 THR A 28 -4.360 -0.418 7.810 1.00 0.00 O ATOM 382 CG2 THR A 28 -3.328 1.637 8.549 1.00 0.00 C ATOM 0 H THR A 28 -6.469 -0.271 7.200 1.00 0.00 H new ATOM 0 HA THR A 28 -5.846 1.788 9.006 1.00 0.00 H new ATOM 0 HB THR A 28 -4.122 1.246 6.606 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.884 -0.645 8.636 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.345 1.227 8.317 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.317 2.716 8.395 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.574 1.422 9.589 1.00 0.00 H new ATOM 390 N ILE A 29 -6.169 2.691 5.833 1.00 0.00 N ATOM 391 CA ILE A 29 -6.383 3.835 4.956 1.00 0.00 C ATOM 392 C ILE A 29 -7.712 4.517 5.256 1.00 0.00 C ATOM 393 O ILE A 29 -7.778 5.737 5.399 1.00 0.00 O ATOM 394 CB ILE A 29 -6.355 3.420 3.472 1.00 0.00 C ATOM 395 CG1 ILE A 29 -4.948 2.969 3.072 1.00 0.00 C ATOM 396 CG2 ILE A 29 -6.818 4.571 2.592 1.00 0.00 C ATOM 397 CD1 ILE A 29 -4.655 1.527 3.420 1.00 0.00 C ATOM 0 H ILE A 29 -6.177 1.788 5.358 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.568 4.534 5.145 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.038 2.582 3.331 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.822 3.108 1.998 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.216 3.609 3.564 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -6.793 4.263 1.547 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -7.836 4.850 2.864 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.157 5.426 2.734 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -3.641 1.276 3.108 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.749 1.386 4.497 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.364 0.877 2.906 1.00 0.00 H new ATOM 408 N GLY A 30 -8.773 3.720 5.353 1.00 0.00 N ATOM 409 CA GLY A 30 -10.087 4.264 5.638 1.00 0.00 C ATOM 410 C GLY A 30 -10.100 5.126 6.885 1.00 0.00 C ATOM 411 O GLY A 30 -10.647 6.228 6.879 1.00 0.00 O ATOM 0 H GLY A 30 -8.745 2.707 5.239 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.424 4.856 4.787 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -10.797 3.446 5.758 1.00 0.00 H new ATOM 415 N GLN A 31 -9.499 4.620 7.957 1.00 0.00 N ATOM 416 CA GLN A 31 -9.446 5.351 9.218 1.00 0.00 C ATOM 417 C GLN A 31 -8.466 6.517 9.131 1.00 0.00 C ATOM 418 O GLN A 31 -8.757 7.620 9.594 1.00 0.00 O ATOM 419 CB GLN A 31 -9.041 4.414 10.357 1.00 0.00 C ATOM 420 CG GLN A 31 -10.224 3.798 11.088 1.00 0.00 C ATOM 421 CD GLN A 31 -10.980 4.807 11.929 1.00 0.00 C ATOM 422 OE1 GLN A 31 -10.492 5.258 12.966 1.00 0.00 O ATOM 423 NE2 GLN A 31 -12.179 5.166 11.487 1.00 0.00 N ATOM 0 H GLN A 31 -9.042 3.708 7.978 1.00 0.00 H new ATOM 0 HA GLN A 31 -10.440 5.750 9.420 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.417 3.616 9.955 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.431 4.967 11.071 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -10.904 3.354 10.361 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.870 2.990 11.728 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -12.544 4.767 10.622 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -12.735 5.841 12.012 1.00 0.00 H new ATOM 430 N ALA A 32 -7.305 6.265 8.535 1.00 0.00 N ATOM 431 CA ALA A 32 -6.284 7.295 8.385 1.00 0.00 C ATOM 432 C ALA A 32 -6.801 8.464 7.554 1.00 0.00 C ATOM 433 O ALA A 32 -6.351 9.598 7.715 1.00 0.00 O ATOM 434 CB ALA A 32 -5.031 6.708 7.753 1.00 0.00 C ATOM 0 H ALA A 32 -7.048 5.357 8.148 1.00 0.00 H new ATOM 0 HA ALA A 32 -6.035 7.672 9.377 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.277 7.488 7.647 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.642 5.912 8.388 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.274 6.303 6.771 1.00 0.00 H new ATOM 440 N GLU A 33 -7.747 8.179 6.664 1.00 0.00 N ATOM 441 CA GLU A 33 -8.322 9.209 5.807 1.00 0.00 C ATOM 442 C GLU A 33 -9.234 10.136 6.606 1.00 0.00 C ATOM 443 O GLU A 33 -9.328 11.329 6.318 1.00 0.00 O ATOM 444 CB GLU A 33 -9.109 8.568 4.661 1.00 0.00 C ATOM 445 CG GLU A 33 -9.280 9.478 3.456 1.00 0.00 C ATOM 446 CD GLU A 33 -10.186 8.880 2.398 1.00 0.00 C ATOM 447 OE1 GLU A 33 -10.177 7.642 2.238 1.00 0.00 O ATOM 448 OE2 GLU A 33 -10.905 9.653 1.729 1.00 0.00 O ATOM 0 H GLU A 33 -8.131 7.245 6.518 1.00 0.00 H new ATOM 0 HA GLU A 33 -7.504 9.799 5.394 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -8.601 7.656 4.348 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -10.093 8.275 5.027 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.690 10.434 3.782 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.303 9.683 3.019 1.00 0.00 H new ATOM 658 N PHE A 51 -3.760 20.702 -0.857 1.00 0.00 N ATOM 659 CA PHE A 51 -4.353 19.544 -0.198 1.00 0.00 C ATOM 660 C PHE A 51 -4.960 18.587 -1.221 1.00 0.00 C ATOM 661 O PHE A 51 -4.938 17.371 -1.036 1.00 0.00 O ATOM 662 CB PHE A 51 -5.426 19.992 0.797 1.00 0.00 C ATOM 663 CG PHE A 51 -6.214 18.854 1.380 1.00 0.00 C ATOM 664 CD1 PHE A 51 -7.349 18.382 0.743 1.00 0.00 C ATOM 665 CD2 PHE A 51 -5.820 18.257 2.568 1.00 0.00 C ATOM 666 CE1 PHE A 51 -8.078 17.335 1.275 1.00 0.00 C ATOM 667 CE2 PHE A 51 -6.544 17.209 3.105 1.00 0.00 C ATOM 668 CZ PHE A 51 -7.675 16.749 2.459 1.00 0.00 C ATOM 0 HA PHE A 51 -3.564 19.019 0.340 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.951 20.547 1.606 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -6.109 20.679 0.298 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -7.669 18.838 -0.182 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -4.938 18.615 3.079 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -8.960 16.976 0.766 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -6.225 16.750 4.029 1.00 0.00 H new ATOM 0 HZ PHE A 51 -8.243 15.932 2.879 1.00 0.00 H new ATOM 677 N GLN A 52 -5.500 19.148 -2.298 1.00 0.00 N ATOM 678 CA GLN A 52 -6.115 18.345 -3.349 1.00 0.00 C ATOM 679 C GLN A 52 -5.066 17.513 -4.081 1.00 0.00 C ATOM 680 O GLN A 52 -5.194 16.294 -4.193 1.00 0.00 O ATOM 681 CB GLN A 52 -6.854 19.244 -4.341 1.00 0.00 C ATOM 682 CG GLN A 52 -7.300 18.522 -5.602 1.00 0.00 C ATOM 683 CD GLN A 52 -8.762 18.760 -5.923 1.00 0.00 C ATOM 684 OE1 GLN A 52 -9.357 19.742 -5.477 1.00 0.00 O ATOM 685 NE2 GLN A 52 -9.351 17.861 -6.703 1.00 0.00 N ATOM 0 H GLN A 52 -5.524 20.154 -2.466 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.830 17.667 -2.883 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.728 19.672 -3.849 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -6.205 20.075 -4.618 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -6.689 18.853 -6.442 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -7.127 17.452 -5.484 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.821 17.062 -7.051 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -10.334 17.969 -6.954 1.00 0.00 H new ATOM 692 N ALA A 53 -4.032 18.181 -4.579 1.00 0.00 N ATOM 693 CA ALA A 53 -2.960 17.503 -5.299 1.00 0.00 C ATOM 694 C ALA A 53 -2.415 16.329 -4.494 1.00 0.00 C ATOM 695 O ALA A 53 -2.314 15.212 -4.999 1.00 0.00 O ATOM 696 CB ALA A 53 -1.844 18.483 -5.629 1.00 0.00 C ATOM 0 H ALA A 53 -3.913 19.191 -4.498 1.00 0.00 H new ATOM 0 HA ALA A 53 -3.372 17.111 -6.229 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -1.051 17.963 -6.166 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -2.238 19.287 -6.251 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.443 18.902 -4.706 1.00 0.00 H new ATOM 702 N ALA A 54 -2.063 16.590 -3.239 1.00 0.00 N ATOM 703 CA ALA A 54 -1.528 15.554 -2.364 1.00 0.00 C ATOM 704 C ALA A 54 -2.573 14.479 -2.086 1.00 0.00 C ATOM 705 O ALA A 54 -2.254 13.291 -2.024 1.00 0.00 O ATOM 706 CB ALA A 54 -1.038 16.166 -1.060 1.00 0.00 C ATOM 0 H ALA A 54 -2.139 17.510 -2.806 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.685 15.083 -2.871 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.641 15.381 -0.416 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.254 16.893 -1.271 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.868 16.663 -0.557 1.00 0.00 H new ATOM 712 N HIS A 55 -3.822 14.902 -1.918 1.00 0.00 N ATOM 713 CA HIS A 55 -4.914 13.974 -1.646 1.00 0.00 C ATOM 714 C HIS A 55 -5.136 13.035 -2.828 1.00 0.00 C ATOM 715 O HIS A 55 -5.455 11.859 -2.647 1.00 0.00 O ATOM 716 CB HIS A 55 -6.200 14.742 -1.341 1.00 0.00 C ATOM 717 CG HIS A 55 -7.389 13.857 -1.122 1.00 0.00 C ATOM 718 ND1 HIS A 55 -8.118 13.122 -1.994 1.00 0.00 N flip ATOM 719 CD2 HIS A 55 -7.956 13.653 0.118 1.00 0.00 C flip ATOM 720 CE1 HIS A 55 -9.102 12.493 -1.273 1.00 0.00 C flip ATOM 721 NE2 HIS A 55 -8.983 12.830 0.000 1.00 0.00 N flip ATOM 0 H HIS A 55 -4.103 15.881 -1.965 1.00 0.00 H new ATOM 0 HA HIS A 55 -4.642 13.376 -0.776 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -6.045 15.355 -0.453 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -6.411 15.423 -2.166 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -7.614 14.097 1.041 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -9.852 11.830 -1.679 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -9.582 12.509 0.761 1.00 0.00 H new ATOM 728 N ALA A 56 -4.965 13.562 -4.035 1.00 0.00 N ATOM 729 CA ALA A 56 -5.146 12.769 -5.246 1.00 0.00 C ATOM 730 C ALA A 56 -4.003 11.777 -5.429 1.00 0.00 C ATOM 731 O ALA A 56 -4.190 10.697 -5.990 1.00 0.00 O ATOM 732 CB ALA A 56 -5.255 13.680 -6.460 1.00 0.00 C ATOM 0 H ALA A 56 -4.702 14.533 -4.201 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.071 12.202 -5.145 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.390 13.076 -7.357 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.109 14.346 -6.339 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.344 14.271 -6.554 1.00 0.00 H new ATOM 738 N ARG A 57 -2.820 12.149 -4.952 1.00 0.00 N ATOM 739 CA ARG A 57 -1.647 11.291 -5.064 1.00 0.00 C ATOM 740 C ARG A 57 -1.812 10.031 -4.220 1.00 0.00 C ATOM 741 O ARG A 57 -1.359 8.951 -4.604 1.00 0.00 O ATOM 742 CB ARG A 57 -0.392 12.049 -4.627 1.00 0.00 C ATOM 743 CG ARG A 57 0.123 13.028 -5.669 1.00 0.00 C ATOM 744 CD ARG A 57 1.152 13.979 -5.080 1.00 0.00 C ATOM 745 NE ARG A 57 2.406 13.964 -5.830 1.00 0.00 N ATOM 746 CZ ARG A 57 3.322 14.922 -5.751 1.00 0.00 C ATOM 747 NH1 ARG A 57 3.125 15.967 -4.958 1.00 0.00 N ATOM 748 NH2 ARG A 57 4.437 14.836 -6.464 1.00 0.00 N ATOM 0 H ARG A 57 -2.648 13.039 -4.484 1.00 0.00 H new ATOM 0 HA ARG A 57 -1.541 10.997 -6.108 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -0.608 12.592 -3.707 1.00 0.00 H new ATOM 0 HB3 ARG A 57 0.394 11.330 -4.396 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.567 12.478 -6.498 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -0.711 13.600 -6.076 1.00 0.00 H new ATOM 0 HD2 ARG A 57 0.747 14.991 -5.072 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.347 13.705 -4.043 1.00 0.00 H new ATOM 0 HE ARG A 57 2.588 13.174 -6.449 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.269 16.035 -4.408 1.00 0.00 H new ATOM 0 HH12 ARG A 57 3.830 16.702 -4.898 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.592 14.033 -7.074 1.00 0.00 H new ATOM 0 HH22 ARG A 57 5.140 15.573 -6.402 1.00 0.00 H new ATOM 759 N PHE A 58 -2.463 10.175 -3.071 1.00 0.00 N ATOM 760 CA PHE A 58 -2.687 9.048 -2.173 1.00 0.00 C ATOM 761 C PHE A 58 -3.674 8.056 -2.780 1.00 0.00 C ATOM 762 O PHE A 58 -3.378 6.869 -2.907 1.00 0.00 O ATOM 763 CB PHE A 58 -3.208 9.542 -0.821 1.00 0.00 C ATOM 764 CG PHE A 58 -3.549 8.432 0.132 1.00 0.00 C ATOM 765 CD1 PHE A 58 -2.550 7.737 0.793 1.00 0.00 C ATOM 766 CD2 PHE A 58 -4.870 8.084 0.367 1.00 0.00 C ATOM 767 CE1 PHE A 58 -2.861 6.715 1.669 1.00 0.00 C ATOM 768 CE2 PHE A 58 -5.188 7.063 1.242 1.00 0.00 C ATOM 769 CZ PHE A 58 -4.182 6.378 1.895 1.00 0.00 C ATOM 0 H PHE A 58 -2.845 11.061 -2.739 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.734 8.539 -2.024 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.456 10.185 -0.364 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.094 10.155 -0.984 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.516 7.997 0.622 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -5.660 8.617 -0.140 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -2.072 6.180 2.177 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -6.221 6.801 1.415 1.00 0.00 H new ATOM 0 HZ PHE A 58 -4.427 5.581 2.581 1.00 0.00 H new ATOM 778 N VAL A 59 -4.850 8.553 -3.153 1.00 0.00 N ATOM 779 CA VAL A 59 -5.881 7.712 -3.747 1.00 0.00 C ATOM 780 C VAL A 59 -5.354 6.982 -4.978 1.00 0.00 C ATOM 781 O VAL A 59 -5.767 5.861 -5.271 1.00 0.00 O ATOM 782 CB VAL A 59 -7.119 8.539 -4.145 1.00 0.00 C ATOM 783 CG1 VAL A 59 -6.708 9.761 -4.951 1.00 0.00 C ATOM 784 CG2 VAL A 59 -8.103 7.680 -4.926 1.00 0.00 C ATOM 0 H VAL A 59 -5.111 9.534 -3.054 1.00 0.00 H new ATOM 0 HA VAL A 59 -6.168 6.982 -2.991 1.00 0.00 H new ATOM 0 HB VAL A 59 -7.613 8.883 -3.236 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -7.595 10.333 -5.223 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.044 10.385 -4.353 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.190 9.443 -5.856 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -8.972 8.279 -5.199 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -7.622 7.305 -5.829 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -8.421 6.840 -4.309 1.00 0.00 H new ATOM 794 N ALA A 60 -4.438 7.626 -5.694 1.00 0.00 N ATOM 795 CA ALA A 60 -3.852 7.038 -6.891 1.00 0.00 C ATOM 796 C ALA A 60 -3.094 5.758 -6.559 1.00 0.00 C ATOM 797 O ALA A 60 -3.223 4.750 -7.253 1.00 0.00 O ATOM 798 CB ALA A 60 -2.931 8.039 -7.575 1.00 0.00 C ATOM 0 H ALA A 60 -4.086 8.556 -5.465 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.662 6.782 -7.574 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.500 7.586 -8.468 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.501 8.925 -7.856 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.132 8.324 -6.891 1.00 0.00 H new ATOM 804 N ALA A 61 -2.300 5.805 -5.494 1.00 0.00 N ATOM 805 CA ALA A 61 -1.521 4.650 -5.069 1.00 0.00 C ATOM 806 C ALA A 61 -2.386 3.657 -4.300 1.00 0.00 C ATOM 807 O ALA A 61 -2.217 2.445 -4.425 1.00 0.00 O ATOM 808 CB ALA A 61 -0.340 5.092 -4.217 1.00 0.00 C ATOM 0 H ALA A 61 -2.180 6.632 -4.910 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.144 4.150 -5.962 1.00 0.00 H new ATOM 0 HB1 ALA A 61 0.232 4.218 -3.907 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.299 5.757 -4.798 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.705 5.618 -3.335 1.00 0.00 H new ATOM 814 N ALA A 62 -3.314 4.179 -3.505 1.00 0.00 N ATOM 815 CA ALA A 62 -4.206 3.339 -2.716 1.00 0.00 C ATOM 816 C ALA A 62 -4.886 2.290 -3.591 1.00 0.00 C ATOM 817 O ALA A 62 -5.090 1.153 -3.167 1.00 0.00 O ATOM 818 CB ALA A 62 -5.247 4.193 -2.008 1.00 0.00 C ATOM 0 H ALA A 62 -3.468 5.181 -3.390 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.609 2.819 -1.967 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.906 3.552 -1.423 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.748 4.901 -1.346 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.834 4.739 -2.747 1.00 0.00 H new ATOM 824 N ALA A 63 -5.234 2.680 -4.812 1.00 0.00 N ATOM 825 CA ALA A 63 -5.890 1.773 -5.746 1.00 0.00 C ATOM 826 C ALA A 63 -5.013 0.561 -6.040 1.00 0.00 C ATOM 827 O ALA A 63 -5.510 -0.556 -6.191 1.00 0.00 O ATOM 828 CB ALA A 63 -6.238 2.502 -7.035 1.00 0.00 C ATOM 0 H ALA A 63 -5.073 3.618 -5.178 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.811 1.419 -5.284 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -6.727 1.812 -7.723 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.910 3.331 -6.814 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.327 2.886 -7.493 1.00 0.00 H new ATOM 834 N LYS A 64 -3.707 0.788 -6.123 1.00 0.00 N ATOM 835 CA LYS A 64 -2.760 -0.285 -6.400 1.00 0.00 C ATOM 836 C LYS A 64 -2.798 -1.342 -5.300 1.00 0.00 C ATOM 837 O LYS A 64 -2.743 -2.541 -5.575 1.00 0.00 O ATOM 838 CB LYS A 64 -1.343 0.278 -6.529 1.00 0.00 C ATOM 839 CG LYS A 64 -0.527 -0.374 -7.632 1.00 0.00 C ATOM 840 CD LYS A 64 -0.450 -1.881 -7.451 1.00 0.00 C ATOM 841 CE LYS A 64 0.360 -2.535 -8.559 1.00 0.00 C ATOM 842 NZ LYS A 64 1.796 -2.142 -8.502 1.00 0.00 N ATOM 0 H LYS A 64 -3.280 1.706 -6.002 1.00 0.00 H new ATOM 0 HA LYS A 64 -3.046 -0.754 -7.342 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -1.403 1.350 -6.718 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -0.823 0.150 -5.580 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.973 -0.145 -8.600 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.479 0.045 -7.638 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.001 -2.110 -6.486 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -1.457 -2.299 -7.440 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.277 -3.619 -8.479 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.055 -2.254 -9.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 2.279 -2.467 -9.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 1.870 -1.107 -8.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.242 -2.577 -7.669 1.00 0.00 H new ATOM 852 N VAL A 65 -2.895 -0.890 -4.054 1.00 0.00 N ATOM 853 CA VAL A 65 -2.943 -1.798 -2.914 1.00 0.00 C ATOM 854 C VAL A 65 -4.276 -2.536 -2.855 1.00 0.00 C ATOM 855 O VAL A 65 -4.317 -3.750 -2.659 1.00 0.00 O ATOM 856 CB VAL A 65 -2.729 -1.044 -1.587 1.00 0.00 C ATOM 857 CG1 VAL A 65 -2.555 -2.025 -0.438 1.00 0.00 C ATOM 858 CG2 VAL A 65 -1.528 -0.114 -1.691 1.00 0.00 C ATOM 0 H VAL A 65 -2.942 0.099 -3.808 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.137 -2.519 -3.049 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.613 -0.439 -1.386 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -2.405 -1.475 0.491 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.447 -2.646 -0.352 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -1.689 -2.658 -0.628 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -1.391 0.411 -0.745 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.635 -0.697 -1.915 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -1.697 0.611 -2.487 1.00 0.00 H new ATOM 868 N ASN A 66 -5.365 -1.794 -3.028 1.00 0.00 N ATOM 869 CA ASN A 66 -6.701 -2.379 -2.996 1.00 0.00 C ATOM 870 C ASN A 66 -6.884 -3.380 -4.133 1.00 0.00 C ATOM 871 O ASN A 66 -7.310 -4.514 -3.913 1.00 0.00 O ATOM 872 CB ASN A 66 -7.762 -1.282 -3.091 1.00 0.00 C ATOM 873 CG ASN A 66 -9.067 -1.788 -3.676 1.00 0.00 C ATOM 874 OD1 ASN A 66 -9.177 -1.748 -4.999 1.00 0.00 O flip ATOM 875 ND2 ASN A 66 -9.965 -2.211 -2.948 1.00 0.00 N flip ATOM 0 H ASN A 66 -5.349 -0.787 -3.192 1.00 0.00 H new ATOM 0 HA ASN A 66 -6.817 -2.907 -2.049 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -7.947 -0.872 -2.098 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -7.383 -0.466 -3.707 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -9.838 -2.224 -1.936 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -10.836 -2.549 -3.357 1.00 0.00 H new ATOM 881 N THR A 67 -6.561 -2.952 -5.349 1.00 0.00 N ATOM 882 CA THR A 67 -6.690 -3.809 -6.521 1.00 0.00 C ATOM 883 C THR A 67 -5.928 -5.116 -6.333 1.00 0.00 C ATOM 884 O THR A 67 -6.481 -6.201 -6.516 1.00 0.00 O ATOM 885 CB THR A 67 -6.176 -3.106 -7.791 1.00 0.00 C ATOM 886 OG1 THR A 67 -6.946 -1.925 -8.043 1.00 0.00 O ATOM 887 CG2 THR A 67 -6.255 -4.034 -8.993 1.00 0.00 C ATOM 0 H THR A 67 -6.208 -2.016 -5.548 1.00 0.00 H new ATOM 0 HA THR A 67 -7.752 -4.025 -6.639 1.00 0.00 H new ATOM 0 HB THR A 67 -5.133 -2.832 -7.631 1.00 0.00 H new ATOM 0 HG1 THR A 67 -6.629 -1.198 -7.467 1.00 0.00 H new ATOM 0 HG21 THR A 67 -5.887 -3.515 -9.878 1.00 0.00 H new ATOM 0 HG22 THR A 67 -5.645 -4.919 -8.811 1.00 0.00 H new ATOM 0 HG23 THR A 67 -7.290 -4.334 -9.153 1.00 0.00 H new ATOM 895 N LEU A 68 -4.656 -5.005 -5.964 1.00 0.00 N ATOM 896 CA LEU A 68 -3.817 -6.179 -5.750 1.00 0.00 C ATOM 897 C LEU A 68 -4.490 -7.164 -4.800 1.00 0.00 C ATOM 898 O LEU A 68 -4.484 -8.373 -5.035 1.00 0.00 O ATOM 899 CB LEU A 68 -2.455 -5.762 -5.191 1.00 0.00 C ATOM 900 CG LEU A 68 -1.476 -5.152 -6.194 1.00 0.00 C ATOM 901 CD1 LEU A 68 -0.334 -4.456 -5.469 1.00 0.00 C ATOM 902 CD2 LEU A 68 -0.940 -6.223 -7.134 1.00 0.00 C ATOM 0 H LEU A 68 -4.184 -4.115 -5.807 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.673 -6.672 -6.711 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.619 -5.042 -4.390 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.986 -6.637 -4.742 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.009 -4.409 -6.788 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.353 -4.028 -6.199 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.734 -3.662 -4.838 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.198 -5.178 -4.850 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.245 -5.771 -7.841 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.423 -6.989 -6.556 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.768 -6.677 -7.679 1.00 0.00 H new ATOM 913 N LEU A 69 -5.072 -6.639 -3.727 1.00 0.00 N ATOM 914 CA LEU A 69 -5.752 -7.472 -2.741 1.00 0.00 C ATOM 915 C LEU A 69 -6.883 -8.266 -3.387 1.00 0.00 C ATOM 916 O LEU A 69 -7.160 -9.400 -2.996 1.00 0.00 O ATOM 917 CB LEU A 69 -6.305 -6.605 -1.608 1.00 0.00 C ATOM 918 CG LEU A 69 -5.317 -6.239 -0.500 1.00 0.00 C ATOM 919 CD1 LEU A 69 -5.970 -5.314 0.513 1.00 0.00 C ATOM 920 CD2 LEU A 69 -4.791 -7.494 0.182 1.00 0.00 C ATOM 0 H LEU A 69 -5.087 -5.641 -3.518 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.026 -8.175 -2.332 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.694 -5.683 -2.040 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.149 -7.127 -1.157 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.474 -5.714 -0.950 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.252 -5.064 1.294 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.296 -4.401 0.015 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.831 -5.812 0.958 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.089 -7.214 0.968 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.623 -8.047 0.618 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.284 -8.121 -0.551 1.00 0.00 H new ATOM 931 N ASP A 70 -7.530 -7.665 -4.379 1.00 0.00 N ATOM 932 CA ASP A 70 -8.629 -8.317 -5.081 1.00 0.00 C ATOM 933 C ASP A 70 -8.105 -9.388 -6.034 1.00 0.00 C ATOM 934 O ASP A 70 -8.763 -10.402 -6.265 1.00 0.00 O ATOM 935 CB ASP A 70 -9.451 -7.286 -5.855 1.00 0.00 C ATOM 936 CG ASP A 70 -10.936 -7.394 -5.568 1.00 0.00 C ATOM 937 OD1 ASP A 70 -11.544 -8.412 -5.961 1.00 0.00 O ATOM 938 OD2 ASP A 70 -11.489 -6.462 -4.948 1.00 0.00 O ATOM 0 H ASP A 70 -7.312 -6.727 -4.715 1.00 0.00 H new ATOM 0 HA ASP A 70 -9.268 -8.797 -4.340 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -9.106 -6.284 -5.598 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -9.280 -7.418 -6.923 1.00 0.00 H new ATOM 942 N VAL A 71 -6.918 -9.154 -6.583 1.00 0.00 N ATOM 943 CA VAL A 71 -6.305 -10.098 -7.510 1.00 0.00 C ATOM 944 C VAL A 71 -5.742 -11.307 -6.771 1.00 0.00 C ATOM 945 O VAL A 71 -6.028 -12.450 -7.125 1.00 0.00 O ATOM 946 CB VAL A 71 -5.177 -9.435 -8.322 1.00 0.00 C ATOM 947 CG1 VAL A 71 -4.500 -10.454 -9.226 1.00 0.00 C ATOM 948 CG2 VAL A 71 -5.719 -8.268 -9.132 1.00 0.00 C ATOM 0 H VAL A 71 -6.361 -8.319 -6.402 1.00 0.00 H new ATOM 0 HA VAL A 71 -7.089 -10.426 -8.192 1.00 0.00 H new ATOM 0 HB VAL A 71 -4.431 -9.049 -7.627 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.706 -9.967 -9.792 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -4.075 -11.254 -8.619 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -5.233 -10.872 -9.916 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -4.908 -7.811 -9.700 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.486 -8.627 -9.819 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.152 -7.528 -8.459 1.00 0.00 H new ATOM 958 N ALA A 72 -4.942 -11.046 -5.743 1.00 0.00 N ATOM 959 CA ALA A 72 -4.341 -12.112 -4.953 1.00 0.00 C ATOM 960 C ALA A 72 -5.396 -13.107 -4.479 1.00 0.00 C ATOM 961 O ALA A 72 -5.246 -14.315 -4.656 1.00 0.00 O ATOM 962 CB ALA A 72 -3.591 -11.530 -3.763 1.00 0.00 C ATOM 0 H ALA A 72 -4.695 -10.105 -5.438 1.00 0.00 H new ATOM 0 HA ALA A 72 -3.635 -12.646 -5.589 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.147 -12.338 -3.182 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.804 -10.865 -4.119 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.284 -10.970 -3.135 1.00 0.00 H new ATOM 968 N GLN A 73 -6.462 -12.589 -3.877 1.00 0.00 N ATOM 969 CA GLN A 73 -7.541 -13.432 -3.377 1.00 0.00 C ATOM 970 C GLN A 73 -8.138 -14.276 -4.500 1.00 0.00 C ATOM 971 O GLN A 73 -8.568 -15.407 -4.278 1.00 0.00 O ATOM 972 CB GLN A 73 -8.631 -12.574 -2.733 1.00 0.00 C ATOM 973 CG GLN A 73 -8.165 -11.831 -1.491 1.00 0.00 C ATOM 974 CD GLN A 73 -9.188 -10.827 -0.995 1.00 0.00 C ATOM 975 OE1 GLN A 73 -9.825 -10.130 -1.785 1.00 0.00 O ATOM 976 NE2 GLN A 73 -9.349 -10.747 0.321 1.00 0.00 N ATOM 0 H GLN A 73 -6.601 -11.590 -3.724 1.00 0.00 H new ATOM 0 HA GLN A 73 -7.125 -14.103 -2.625 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -8.993 -11.851 -3.464 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -9.475 -13.211 -2.470 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -7.954 -12.550 -0.700 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -7.231 -11.314 -1.710 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -8.800 -11.344 0.939 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -10.022 -10.089 0.713 1.00 0.00 H new ATOM 983 N ALA A 74 -8.160 -13.716 -5.705 1.00 0.00 N ATOM 984 CA ALA A 74 -8.702 -14.417 -6.862 1.00 0.00 C ATOM 985 C ALA A 74 -7.748 -15.505 -7.342 1.00 0.00 C ATOM 986 O ALA A 74 -8.158 -16.639 -7.587 1.00 0.00 O ATOM 987 CB ALA A 74 -8.992 -13.433 -7.987 1.00 0.00 C ATOM 0 H ALA A 74 -7.809 -12.779 -5.905 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.635 -14.895 -6.562 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.396 -13.970 -8.845 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.718 -12.694 -7.646 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.070 -12.929 -8.276 1.00 0.00 H new ATOM 993 N ASN A 75 -6.473 -15.153 -7.473 1.00 0.00 N ATOM 994 CA ASN A 75 -5.461 -16.100 -7.925 1.00 0.00 C ATOM 995 C ASN A 75 -5.167 -17.137 -6.845 1.00 0.00 C ATOM 996 O ASN A 75 -4.560 -18.175 -7.115 1.00 0.00 O ATOM 997 CB ASN A 75 -4.175 -15.363 -8.302 1.00 0.00 C ATOM 998 CG ASN A 75 -4.321 -14.566 -9.585 1.00 0.00 C ATOM 999 OD1 ASN A 75 -3.805 -14.956 -10.632 1.00 0.00 O ATOM 1000 ND2 ASN A 75 -5.025 -13.444 -9.507 1.00 0.00 N ATOM 0 H ASN A 75 -6.116 -14.219 -7.272 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.848 -16.615 -8.804 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -3.893 -14.692 -7.491 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -3.366 -16.084 -8.415 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -5.156 -12.866 -10.337 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -5.435 -13.160 -8.617 1.00 0.00 H new ATOM 1006 N LEU A 76 -5.603 -16.852 -5.624 1.00 0.00 N ATOM 1007 CA LEU A 76 -5.388 -17.760 -4.502 1.00 0.00 C ATOM 1008 C LEU A 76 -6.598 -18.664 -4.293 1.00 0.00 C ATOM 1009 O LEU A 76 -6.482 -19.760 -3.747 1.00 0.00 O ATOM 1010 CB LEU A 76 -5.102 -16.967 -3.226 1.00 0.00 C ATOM 1011 CG LEU A 76 -3.640 -16.586 -2.986 1.00 0.00 C ATOM 1012 CD1 LEU A 76 -2.925 -16.357 -4.308 1.00 0.00 C ATOM 1013 CD2 LEU A 76 -3.551 -15.346 -2.107 1.00 0.00 C ATOM 0 H LEU A 76 -6.108 -15.999 -5.385 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.526 -18.386 -4.734 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.696 -16.053 -3.249 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.449 -17.551 -2.374 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.149 -17.410 -2.469 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -1.886 -16.087 -4.118 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.960 -17.270 -4.903 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.416 -15.550 -4.852 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.504 -15.089 -1.946 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.058 -14.515 -2.598 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.027 -15.546 -1.147 1.00 0.00 H new ATOM 1024 N GLY A 77 -7.762 -18.196 -4.735 1.00 0.00 N ATOM 1025 CA GLY A 77 -8.978 -18.974 -4.588 1.00 0.00 C ATOM 1026 C GLY A 77 -9.490 -18.989 -3.162 1.00 0.00 C ATOM 1027 O GLY A 77 -10.305 -18.150 -2.779 1.00 0.00 O ATOM 0 H GLY A 77 -7.884 -17.292 -5.192 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.748 -18.565 -5.242 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -8.792 -19.997 -4.914 1.00 0.00 H new ATOM 1031 N GLU A 78 -9.012 -19.946 -2.373 1.00 0.00 N ATOM 1032 CA GLU A 78 -9.429 -20.067 -0.981 1.00 0.00 C ATOM 1033 C GLU A 78 -9.266 -18.739 -0.247 1.00 0.00 C ATOM 1034 O GLU A 78 -10.021 -18.431 0.675 1.00 0.00 O ATOM 1035 CB GLU A 78 -8.617 -21.155 -0.275 1.00 0.00 C ATOM 1036 CG GLU A 78 -9.331 -21.771 0.917 1.00 0.00 C ATOM 1037 CD GLU A 78 -8.391 -22.533 1.831 1.00 0.00 C ATOM 1038 OE1 GLU A 78 -7.173 -22.542 1.553 1.00 0.00 O ATOM 1039 OE2 GLU A 78 -8.872 -23.118 2.823 1.00 0.00 O ATOM 0 H GLU A 78 -8.336 -20.648 -2.674 1.00 0.00 H new ATOM 0 HA GLU A 78 -10.483 -20.343 -0.967 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -8.379 -21.941 -0.991 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -7.670 -20.731 0.059 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -9.826 -20.984 1.486 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -10.110 -22.445 0.560 1.00 0.00 H new ATOM 1044 N ALA A 79 -8.275 -17.958 -0.662 1.00 0.00 N ATOM 1045 CA ALA A 79 -8.013 -16.663 -0.046 1.00 0.00 C ATOM 1046 C ALA A 79 -9.279 -15.814 0.006 1.00 0.00 C ATOM 1047 O ALA A 79 -9.464 -15.014 0.922 1.00 0.00 O ATOM 1048 CB ALA A 79 -6.916 -15.930 -0.804 1.00 0.00 C ATOM 0 H ALA A 79 -7.640 -18.199 -1.423 1.00 0.00 H new ATOM 0 HA ALA A 79 -7.680 -16.836 0.977 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -6.731 -14.965 -0.333 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -6.002 -16.524 -0.786 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -7.228 -15.776 -1.837 1.00 0.00 H new ATOM 1533 N ALA B 620 4.084 11.178 10.698 1.00 0.00 N ATOM 1534 CA ALA B 620 4.749 10.045 10.067 1.00 0.00 C ATOM 1535 C ALA B 620 4.308 8.729 10.700 1.00 0.00 C ATOM 1536 O ALA B 620 4.265 7.694 10.037 1.00 0.00 O ATOM 1537 CB ALA B 620 6.259 10.199 10.163 1.00 0.00 C ATOM 0 HA ALA B 620 4.463 10.027 9.015 1.00 0.00 H new ATOM 0 HB1 ALA B 620 6.743 9.346 9.688 1.00 0.00 H new ATOM 0 HB2 ALA B 620 6.564 11.116 9.659 1.00 0.00 H new ATOM 0 HB3 ALA B 620 6.554 10.246 11.211 1.00 0.00 H new ATOM 1543 N GLY B 621 3.983 8.777 11.989 1.00 0.00 N ATOM 1544 CA GLY B 621 3.551 7.581 12.690 1.00 0.00 C ATOM 1545 C GLY B 621 2.399 6.885 11.993 1.00 0.00 C ATOM 1546 O GLY B 621 2.444 5.677 11.761 1.00 0.00 O ATOM 0 H GLY B 621 4.011 9.622 12.560 1.00 0.00 H new ATOM 0 HA2 GLY B 621 4.390 6.891 12.776 1.00 0.00 H new ATOM 0 HA3 GLY B 621 3.251 7.846 13.704 1.00 0.00 H new ATOM 1550 N TYR B 622 1.363 7.647 11.662 1.00 0.00 N ATOM 1551 CA TYR B 622 0.192 7.095 10.991 1.00 0.00 C ATOM 1552 C TYR B 622 0.588 6.380 9.703 1.00 0.00 C ATOM 1553 O TYR B 622 0.301 5.197 9.522 1.00 0.00 O ATOM 1554 CB TYR B 622 -0.816 8.204 10.683 1.00 0.00 C ATOM 1555 CG TYR B 622 -2.091 8.104 11.488 1.00 0.00 C ATOM 1556 CD1 TYR B 622 -3.164 7.345 11.036 1.00 0.00 C ATOM 1557 CD2 TYR B 622 -2.223 8.766 12.702 1.00 0.00 C ATOM 1558 CE1 TYR B 622 -4.331 7.251 11.769 1.00 0.00 C ATOM 1559 CE2 TYR B 622 -3.387 8.677 13.442 1.00 0.00 C ATOM 1560 CZ TYR B 622 -4.438 7.919 12.971 1.00 0.00 C ATOM 1561 OH TYR B 622 -5.599 7.826 13.704 1.00 0.00 O ATOM 0 H TYR B 622 1.310 8.649 11.847 1.00 0.00 H new ATOM 0 HA TYR B 622 -0.270 6.369 11.660 1.00 0.00 H new ATOM 0 HB2 TYR B 622 -0.350 9.170 10.875 1.00 0.00 H new ATOM 0 HB3 TYR B 622 -1.063 8.174 9.622 1.00 0.00 H new ATOM 0 HD1 TYR B 622 -3.084 6.820 10.096 1.00 0.00 H new ATOM 0 HD2 TYR B 622 -1.402 9.361 13.074 1.00 0.00 H new ATOM 0 HE1 TYR B 622 -5.156 6.657 11.403 1.00 0.00 H new ATOM 0 HE2 TYR B 622 -3.473 9.198 14.384 1.00 0.00 H new ATOM 0 HH TYR B 622 -5.511 8.354 14.525 1.00 0.00 H new ATOM 1570 N ALA B 623 1.249 7.109 8.809 1.00 0.00 N ATOM 1571 CA ALA B 623 1.689 6.546 7.539 1.00 0.00 C ATOM 1572 C ALA B 623 2.497 5.270 7.753 1.00 0.00 C ATOM 1573 O ALA B 623 2.315 4.282 7.043 1.00 0.00 O ATOM 1574 CB ALA B 623 2.507 7.567 6.762 1.00 0.00 C ATOM 0 H ALA B 623 1.491 8.091 8.941 1.00 0.00 H new ATOM 0 HA ALA B 623 0.803 6.290 6.959 1.00 0.00 H new ATOM 0 HB1 ALA B 623 2.828 7.132 5.816 1.00 0.00 H new ATOM 0 HB2 ALA B 623 1.897 8.449 6.567 1.00 0.00 H new ATOM 0 HB3 ALA B 623 3.382 7.853 7.346 1.00 0.00 H new ATOM 1580 N GLY B 624 3.391 5.300 8.736 1.00 0.00 N ATOM 1581 CA GLY B 624 4.215 4.140 9.026 1.00 0.00 C ATOM 1582 C GLY B 624 3.393 2.885 9.237 1.00 0.00 C ATOM 1583 O GLY B 624 3.873 1.773 9.010 1.00 0.00 O ATOM 0 H GLY B 624 3.560 6.107 9.337 1.00 0.00 H new ATOM 0 HA2 GLY B 624 4.913 3.980 8.205 1.00 0.00 H new ATOM 0 HA3 GLY B 624 4.811 4.335 9.918 1.00 0.00 H new ATOM 1587 N THR B 625 2.149 3.059 9.674 1.00 0.00 N ATOM 1588 CA THR B 625 1.260 1.930 9.920 1.00 0.00 C ATOM 1589 C THR B 625 1.048 1.112 8.651 1.00 0.00 C ATOM 1590 O THR B 625 1.166 -0.115 8.664 1.00 0.00 O ATOM 1591 CB THR B 625 -0.109 2.398 10.449 1.00 0.00 C ATOM 1592 OG1 THR B 625 0.067 3.188 11.630 1.00 0.00 O ATOM 1593 CG2 THR B 625 -1.005 1.208 10.757 1.00 0.00 C ATOM 0 H THR B 625 1.735 3.971 9.865 1.00 0.00 H new ATOM 0 HA THR B 625 1.740 1.308 10.675 1.00 0.00 H new ATOM 0 HB THR B 625 -0.586 3.001 9.677 1.00 0.00 H new ATOM 0 HG1 THR B 625 0.208 4.125 11.379 1.00 0.00 H new ATOM 0 HG21 THR B 625 -1.966 1.563 11.129 1.00 0.00 H new ATOM 0 HG22 THR B 625 -1.160 0.625 9.849 1.00 0.00 H new ATOM 0 HG23 THR B 625 -0.532 0.582 11.514 1.00 0.00 H new ATOM 1601 N LEU B 626 0.737 1.796 7.555 1.00 0.00 N ATOM 1602 CA LEU B 626 0.509 1.131 6.277 1.00 0.00 C ATOM 1603 C LEU B 626 1.730 0.317 5.861 1.00 0.00 C ATOM 1604 O LEU B 626 1.604 -0.816 5.399 1.00 0.00 O ATOM 1605 CB LEU B 626 0.177 2.162 5.196 1.00 0.00 C ATOM 1606 CG LEU B 626 -1.303 2.503 5.025 1.00 0.00 C ATOM 1607 CD1 LEU B 626 -1.822 3.257 6.239 1.00 0.00 C ATOM 1608 CD2 LEU B 626 -1.521 3.315 3.757 1.00 0.00 C ATOM 0 H LEU B 626 0.637 2.811 7.526 1.00 0.00 H new ATOM 0 HA LEU B 626 -0.335 0.451 6.394 1.00 0.00 H new ATOM 0 HB2 LEU B 626 0.717 3.082 5.421 1.00 0.00 H new ATOM 0 HB3 LEU B 626 0.557 1.794 4.243 1.00 0.00 H new ATOM 0 HG LEU B 626 -1.862 1.571 4.936 1.00 0.00 H new ATOM 0 HD11 LEU B 626 -2.877 3.491 6.098 1.00 0.00 H new ATOM 0 HD12 LEU B 626 -1.703 2.639 7.129 1.00 0.00 H new ATOM 0 HD13 LEU B 626 -1.259 4.182 6.361 1.00 0.00 H new ATOM 0 HD21 LEU B 626 -2.581 3.548 3.652 1.00 0.00 H new ATOM 0 HD22 LEU B 626 -0.949 4.241 3.815 1.00 0.00 H new ATOM 0 HD23 LEU B 626 -1.189 2.738 2.894 1.00 0.00 H new ATOM 1619 N GLN B 627 2.911 0.903 6.032 1.00 0.00 N ATOM 1620 CA GLN B 627 4.156 0.230 5.676 1.00 0.00 C ATOM 1621 C GLN B 627 4.235 -1.147 6.327 1.00 0.00 C ATOM 1622 O GLN B 627 4.558 -2.137 5.670 1.00 0.00 O ATOM 1623 CB GLN B 627 5.357 1.077 6.099 1.00 0.00 C ATOM 1624 CG GLN B 627 6.490 1.073 5.087 1.00 0.00 C ATOM 1625 CD GLN B 627 7.852 1.230 5.734 1.00 0.00 C ATOM 1626 OE1 GLN B 627 8.490 2.277 5.622 1.00 0.00 O ATOM 1627 NE2 GLN B 627 8.306 0.185 6.417 1.00 0.00 N ATOM 0 H GLN B 627 3.032 1.841 6.414 1.00 0.00 H new ATOM 0 HA GLN B 627 4.174 0.102 4.594 1.00 0.00 H new ATOM 0 HB2 GLN B 627 5.028 2.104 6.260 1.00 0.00 H new ATOM 0 HB3 GLN B 627 5.732 0.709 7.054 1.00 0.00 H new ATOM 0 HG2 GLN B 627 6.465 0.140 4.523 1.00 0.00 H new ATOM 0 HG3 GLN B 627 6.336 1.881 4.372 1.00 0.00 H new ATOM 0 HE21 GLN B 627 7.744 -0.664 6.484 1.00 0.00 H new ATOM 0 HE22 GLN B 627 9.217 0.231 6.874 1.00 0.00 H new ATOM 1634 N SER B 628 3.938 -1.203 7.622 1.00 0.00 N ATOM 1635 CA SER B 628 3.981 -2.458 8.362 1.00 0.00 C ATOM 1636 C SER B 628 2.766 -3.322 8.037 1.00 0.00 C ATOM 1637 O SER B 628 2.838 -4.551 8.061 1.00 0.00 O ATOM 1638 CB SER B 628 4.040 -2.186 9.866 1.00 0.00 C ATOM 1639 OG SER B 628 5.076 -1.271 10.178 1.00 0.00 O ATOM 0 H SER B 628 3.665 -0.394 8.180 1.00 0.00 H new ATOM 0 HA SER B 628 4.879 -2.997 8.062 1.00 0.00 H new ATOM 0 HB2 SER B 628 3.084 -1.787 10.204 1.00 0.00 H new ATOM 0 HB3 SER B 628 4.203 -3.121 10.402 1.00 0.00 H new ATOM 0 HG SER B 628 5.092 -1.112 11.145 1.00 0.00 H new ATOM 1644 N LEU B 629 1.648 -2.669 7.735 1.00 0.00 N ATOM 1645 CA LEU B 629 0.416 -3.376 7.405 1.00 0.00 C ATOM 1646 C LEU B 629 0.576 -4.180 6.118 1.00 0.00 C ATOM 1647 O LEU B 629 0.279 -5.372 6.079 1.00 0.00 O ATOM 1648 CB LEU B 629 -0.740 -2.383 7.258 1.00 0.00 C ATOM 1649 CG LEU B 629 -2.084 -2.829 7.836 1.00 0.00 C ATOM 1650 CD1 LEU B 629 -2.462 -4.204 7.308 1.00 0.00 C ATOM 1651 CD2 LEU B 629 -2.036 -2.834 9.356 1.00 0.00 C ATOM 0 H LEU B 629 1.570 -1.652 7.712 1.00 0.00 H new ATOM 0 HA LEU B 629 0.194 -4.067 8.218 1.00 0.00 H new ATOM 0 HB2 LEU B 629 -0.453 -1.448 7.738 1.00 0.00 H new ATOM 0 HB3 LEU B 629 -0.876 -2.168 6.198 1.00 0.00 H new ATOM 0 HG LEU B 629 -2.847 -2.118 7.519 1.00 0.00 H new ATOM 0 HD11 LEU B 629 -3.421 -4.505 7.730 1.00 0.00 H new ATOM 0 HD12 LEU B 629 -2.539 -4.168 6.221 1.00 0.00 H new ATOM 0 HD13 LEU B 629 -1.697 -4.926 7.594 1.00 0.00 H new ATOM 0 HD21 LEU B 629 -3.001 -3.154 9.749 1.00 0.00 H new ATOM 0 HD22 LEU B 629 -1.261 -3.522 9.693 1.00 0.00 H new ATOM 0 HD23 LEU B 629 -1.812 -1.830 9.716 1.00 0.00 H new ATOM 1662 N GLY B 630 1.051 -3.518 5.067 1.00 0.00 N ATOM 1663 CA GLY B 630 1.245 -4.188 3.794 1.00 0.00 C ATOM 1664 C GLY B 630 2.178 -5.377 3.902 1.00 0.00 C ATOM 1665 O GLY B 630 1.915 -6.435 3.329 1.00 0.00 O ATOM 0 H GLY B 630 1.305 -2.530 5.074 1.00 0.00 H new ATOM 0 HA2 GLY B 630 0.280 -4.521 3.411 1.00 0.00 H new ATOM 0 HA3 GLY B 630 1.648 -3.479 3.071 1.00 0.00 H new ATOM 1669 N ALA B 631 3.272 -5.205 4.635 1.00 0.00 N ATOM 1670 CA ALA B 631 4.247 -6.273 4.816 1.00 0.00 C ATOM 1671 C ALA B 631 3.579 -7.547 5.322 1.00 0.00 C ATOM 1672 O ALA B 631 3.891 -8.646 4.864 1.00 0.00 O ATOM 1673 CB ALA B 631 5.342 -5.833 5.777 1.00 0.00 C ATOM 0 H ALA B 631 3.506 -4.335 5.114 1.00 0.00 H new ATOM 0 HA ALA B 631 4.695 -6.489 3.846 1.00 0.00 H new ATOM 0 HB1 ALA B 631 6.063 -6.641 5.902 1.00 0.00 H new ATOM 0 HB2 ALA B 631 5.848 -4.955 5.375 1.00 0.00 H new ATOM 0 HB3 ALA B 631 4.901 -5.587 6.743 1.00 0.00 H new ATOM 1679 N GLU B 632 2.658 -7.391 6.268 1.00 0.00 N ATOM 1680 CA GLU B 632 1.947 -8.531 6.836 1.00 0.00 C ATOM 1681 C GLU B 632 1.218 -9.314 5.749 1.00 0.00 C ATOM 1682 O GLU B 632 1.175 -10.545 5.777 1.00 0.00 O ATOM 1683 CB GLU B 632 0.950 -8.061 7.898 1.00 0.00 C ATOM 1684 CG GLU B 632 1.583 -7.229 9.001 1.00 0.00 C ATOM 1685 CD GLU B 632 1.471 -7.887 10.363 1.00 0.00 C ATOM 1686 OE1 GLU B 632 1.464 -9.134 10.422 1.00 0.00 O ATOM 1687 OE2 GLU B 632 1.394 -7.153 11.370 1.00 0.00 O ATOM 0 H GLU B 632 2.387 -6.488 6.657 1.00 0.00 H new ATOM 0 HA GLU B 632 2.681 -9.188 7.303 1.00 0.00 H new ATOM 0 HB2 GLU B 632 0.168 -7.475 7.416 1.00 0.00 H new ATOM 0 HB3 GLU B 632 0.468 -8.932 8.342 1.00 0.00 H new ATOM 0 HG2 GLU B 632 2.634 -7.062 8.767 1.00 0.00 H new ATOM 0 HG3 GLU B 632 1.104 -6.250 9.034 1.00 0.00 H new ATOM 1692 N ILE B 633 0.645 -8.593 4.792 1.00 0.00 N ATOM 1693 CA ILE B 633 -0.082 -9.219 3.695 1.00 0.00 C ATOM 1694 C ILE B 633 0.874 -9.880 2.708 1.00 0.00 C ATOM 1695 O ILE B 633 0.651 -11.011 2.275 1.00 0.00 O ATOM 1696 CB ILE B 633 -0.954 -8.197 2.941 1.00 0.00 C ATOM 1697 CG1 ILE B 633 -1.903 -7.489 3.910 1.00 0.00 C ATOM 1698 CG2 ILE B 633 -1.736 -8.884 1.831 1.00 0.00 C ATOM 1699 CD1 ILE B 633 -2.702 -6.376 3.269 1.00 0.00 C ATOM 0 H ILE B 633 0.670 -7.574 4.754 1.00 0.00 H new ATOM 0 HA ILE B 633 -0.727 -9.978 4.137 1.00 0.00 H new ATOM 0 HB ILE B 633 -0.302 -7.449 2.490 1.00 0.00 H new ATOM 0 HG12 ILE B 633 -2.590 -8.222 4.333 1.00 0.00 H new ATOM 0 HG13 ILE B 633 -1.325 -7.080 4.738 1.00 0.00 H new ATOM 0 HG21 ILE B 633 -2.347 -8.149 1.308 1.00 0.00 H new ATOM 0 HG22 ILE B 633 -1.042 -9.345 1.128 1.00 0.00 H new ATOM 0 HG23 ILE B 633 -2.380 -9.651 2.261 1.00 0.00 H new ATOM 0 HD11 ILE B 633 -3.353 -5.919 4.015 1.00 0.00 H new ATOM 0 HD12 ILE B 633 -2.022 -5.623 2.871 1.00 0.00 H new ATOM 0 HD13 ILE B 633 -3.308 -6.783 2.459 1.00 0.00 H new ATOM 1710 N ALA B 634 1.940 -9.170 2.358 1.00 0.00 N ATOM 1711 CA ALA B 634 2.933 -9.690 1.426 1.00 0.00 C ATOM 1712 C ALA B 634 3.521 -11.005 1.927 1.00 0.00 C ATOM 1713 O ALA B 634 3.764 -11.925 1.147 1.00 0.00 O ATOM 1714 CB ALA B 634 4.037 -8.666 1.205 1.00 0.00 C ATOM 0 H ALA B 634 2.139 -8.232 2.706 1.00 0.00 H new ATOM 0 HA ALA B 634 2.436 -9.883 0.475 1.00 0.00 H new ATOM 0 HB1 ALA B 634 4.771 -9.068 0.507 1.00 0.00 H new ATOM 0 HB2 ALA B 634 3.608 -7.752 0.794 1.00 0.00 H new ATOM 0 HB3 ALA B 634 4.523 -8.444 2.155 1.00 0.00 H new ATOM 1720 N VAL B 635 3.748 -11.085 3.234 1.00 0.00 N ATOM 1721 CA VAL B 635 4.307 -12.288 3.840 1.00 0.00 C ATOM 1722 C VAL B 635 3.285 -13.421 3.855 1.00 0.00 C ATOM 1723 O VAL B 635 3.646 -14.595 3.769 1.00 0.00 O ATOM 1724 CB VAL B 635 4.784 -12.023 5.280 1.00 0.00 C ATOM 1725 CG1 VAL B 635 5.334 -13.296 5.904 1.00 0.00 C ATOM 1726 CG2 VAL B 635 5.828 -10.916 5.299 1.00 0.00 C ATOM 0 H VAL B 635 3.554 -10.332 3.894 1.00 0.00 H new ATOM 0 HA VAL B 635 5.162 -12.581 3.231 1.00 0.00 H new ATOM 0 HB VAL B 635 3.930 -11.697 5.873 1.00 0.00 H new ATOM 0 HG11 VAL B 635 5.666 -13.089 6.921 1.00 0.00 H new ATOM 0 HG12 VAL B 635 4.554 -14.057 5.925 1.00 0.00 H new ATOM 0 HG13 VAL B 635 6.177 -13.656 5.314 1.00 0.00 H new ATOM 0 HG21 VAL B 635 6.154 -10.741 6.324 1.00 0.00 H new ATOM 0 HG22 VAL B 635 6.683 -11.212 4.691 1.00 0.00 H new ATOM 0 HG23 VAL B 635 5.395 -10.001 4.895 1.00 0.00 H new ATOM 1736 N GLU B 636 2.011 -13.060 3.966 1.00 0.00 N ATOM 1737 CA GLU B 636 0.939 -14.048 3.993 1.00 0.00 C ATOM 1738 C GLU B 636 0.803 -14.742 2.641 1.00 0.00 C ATOM 1739 O GLU B 636 0.813 -15.969 2.560 1.00 0.00 O ATOM 1740 CB GLU B 636 -0.387 -13.382 4.373 1.00 0.00 C ATOM 1741 CG GLU B 636 -0.568 -13.198 5.870 1.00 0.00 C ATOM 1742 CD GLU B 636 -1.455 -14.262 6.486 1.00 0.00 C ATOM 1743 OE1 GLU B 636 -1.672 -15.305 5.834 1.00 0.00 O ATOM 1744 OE2 GLU B 636 -1.934 -14.052 7.620 1.00 0.00 O ATOM 0 H GLU B 636 1.696 -12.093 4.039 1.00 0.00 H new ATOM 0 HA GLU B 636 1.190 -14.799 4.743 1.00 0.00 H new ATOM 0 HB2 GLU B 636 -0.448 -12.409 3.886 1.00 0.00 H new ATOM 0 HB3 GLU B 636 -1.210 -13.984 3.987 1.00 0.00 H new ATOM 0 HG2 GLU B 636 0.408 -13.218 6.355 1.00 0.00 H new ATOM 0 HG3 GLU B 636 -0.999 -12.215 6.062 1.00 0.00 H new ATOM 1749 N GLN B 637 0.676 -13.946 1.584 1.00 0.00 N ATOM 1750 CA GLN B 637 0.537 -14.484 0.236 1.00 0.00 C ATOM 1751 C GLN B 637 1.830 -15.153 -0.218 1.00 0.00 C ATOM 1752 O GLN B 637 1.806 -16.107 -0.996 1.00 0.00 O ATOM 1753 CB GLN B 637 0.153 -13.372 -0.742 1.00 0.00 C ATOM 1754 CG GLN B 637 1.293 -12.417 -1.055 1.00 0.00 C ATOM 1755 CD GLN B 637 2.009 -12.767 -2.346 1.00 0.00 C ATOM 1756 OE1 GLN B 637 1.376 -13.028 -3.369 1.00 0.00 O ATOM 1757 NE2 GLN B 637 3.336 -12.773 -2.303 1.00 0.00 N ATOM 0 H GLN B 637 0.667 -12.927 1.635 1.00 0.00 H new ATOM 0 HA GLN B 637 -0.253 -15.234 0.250 1.00 0.00 H new ATOM 0 HB2 GLN B 637 -0.199 -13.822 -1.671 1.00 0.00 H new ATOM 0 HB3 GLN B 637 -0.681 -12.806 -0.326 1.00 0.00 H new ATOM 0 HG2 GLN B 637 0.903 -11.402 -1.124 1.00 0.00 H new ATOM 0 HG3 GLN B 637 2.008 -12.429 -0.232 1.00 0.00 H new ATOM 0 HE21 GLN B 637 3.819 -12.550 -1.433 1.00 0.00 H new ATOM 0 HE22 GLN B 637 3.872 -13.000 -3.140 1.00 0.00 H new ATOM 1764 N ALA B 638 2.957 -14.646 0.271 1.00 0.00 N ATOM 1765 CA ALA B 638 4.259 -15.196 -0.084 1.00 0.00 C ATOM 1766 C ALA B 638 4.325 -16.690 0.217 1.00 0.00 C ATOM 1767 O ALA B 638 5.070 -17.429 -0.425 1.00 0.00 O ATOM 1768 CB ALA B 638 5.364 -14.458 0.657 1.00 0.00 C ATOM 0 H ALA B 638 2.994 -13.855 0.914 1.00 0.00 H new ATOM 0 HA ALA B 638 4.402 -15.061 -1.156 1.00 0.00 H new ATOM 0 HB1 ALA B 638 6.331 -14.880 0.382 1.00 0.00 H new ATOM 0 HB2 ALA B 638 5.339 -13.402 0.389 1.00 0.00 H new ATOM 0 HB3 ALA B 638 5.215 -14.563 1.732 1.00 0.00 H new ATOM 1774 N ALA B 639 3.541 -17.126 1.196 1.00 0.00 N ATOM 1775 CA ALA B 639 3.510 -18.532 1.581 1.00 0.00 C ATOM 1776 C ALA B 639 2.649 -19.345 0.619 1.00 0.00 C ATOM 1777 O ALA B 639 2.842 -20.552 0.468 1.00 0.00 O ATOM 1778 CB ALA B 639 2.994 -18.678 3.005 1.00 0.00 C ATOM 0 H ALA B 639 2.918 -16.526 1.738 1.00 0.00 H new ATOM 0 HA ALA B 639 4.528 -18.919 1.533 1.00 0.00 H new ATOM 0 HB1 ALA B 639 2.976 -19.733 3.279 1.00 0.00 H new ATOM 0 HB2 ALA B 639 3.650 -18.137 3.687 1.00 0.00 H new ATOM 0 HB3 ALA B 639 1.986 -18.269 3.070 1.00 0.00 H new ATOM 1784 N LEU B 640 1.700 -18.678 -0.027 1.00 0.00 N ATOM 1785 CA LEU B 640 0.810 -19.339 -0.974 1.00 0.00 C ATOM 1786 C LEU B 640 1.234 -19.054 -2.411 1.00 0.00 C ATOM 1787 O LEU B 640 0.426 -19.138 -3.335 1.00 0.00 O ATOM 1788 CB LEU B 640 -0.633 -18.877 -0.756 1.00 0.00 C ATOM 1789 CG LEU B 640 -1.055 -18.661 0.697 1.00 0.00 C ATOM 1790 CD1 LEU B 640 -2.402 -17.957 0.763 1.00 0.00 C ATOM 1791 CD2 LEU B 640 -1.110 -19.988 1.440 1.00 0.00 C ATOM 0 H LEU B 640 1.527 -17.679 0.088 1.00 0.00 H new ATOM 0 HA LEU B 640 0.872 -20.414 -0.803 1.00 0.00 H new ATOM 0 HB2 LEU B 640 -0.781 -17.943 -1.299 1.00 0.00 H new ATOM 0 HB3 LEU B 640 -1.301 -19.614 -1.202 1.00 0.00 H new ATOM 0 HG LEU B 640 -0.311 -18.027 1.180 1.00 0.00 H new ATOM 0 HD11 LEU B 640 -2.686 -17.812 1.805 1.00 0.00 H new ATOM 0 HD12 LEU B 640 -2.331 -16.988 0.268 1.00 0.00 H new ATOM 0 HD13 LEU B 640 -3.155 -18.566 0.263 1.00 0.00 H new ATOM 0 HD21 LEU B 640 -1.412 -19.814 2.473 1.00 0.00 H new ATOM 0 HD22 LEU B 640 -1.832 -20.646 0.956 1.00 0.00 H new ATOM 0 HD23 LEU B 640 -0.125 -20.455 1.424 1.00 0.00 H new ATOM 1802 N GLN B 641 2.508 -18.720 -2.591 1.00 0.00 N ATOM 1803 CA GLN B 641 3.041 -18.425 -3.916 1.00 0.00 C ATOM 1804 C GLN B 641 2.781 -19.581 -4.877 1.00 0.00 C ATOM 1805 O GLN B 641 2.449 -19.369 -6.043 1.00 0.00 O ATOM 1806 CB GLN B 641 4.541 -18.142 -3.834 1.00 0.00 C ATOM 1807 CG GLN B 641 4.872 -16.776 -3.253 1.00 0.00 C ATOM 1808 CD GLN B 641 4.673 -15.653 -4.252 1.00 0.00 C ATOM 1809 OE1 GLN B 641 5.616 -15.221 -4.915 1.00 0.00 O ATOM 1810 NE2 GLN B 641 3.439 -15.173 -4.365 1.00 0.00 N ATOM 0 H GLN B 641 3.190 -18.647 -1.836 1.00 0.00 H new ATOM 0 HA GLN B 641 2.532 -17.539 -4.296 1.00 0.00 H new ATOM 0 HB2 GLN B 641 5.015 -18.911 -3.224 1.00 0.00 H new ATOM 0 HB3 GLN B 641 4.972 -18.217 -4.833 1.00 0.00 H new ATOM 0 HG2 GLN B 641 4.245 -16.595 -2.380 1.00 0.00 H new ATOM 0 HG3 GLN B 641 5.906 -16.772 -2.909 1.00 0.00 H new ATOM 0 HE21 GLN B 641 2.687 -15.561 -3.796 1.00 0.00 H new ATOM 0 HE22 GLN B 641 3.244 -14.417 -5.021 1.00 0.00 H new ATOM 1817 N SER B 642 2.934 -20.803 -4.378 1.00 0.00 N ATOM 1818 CA SER B 642 2.720 -21.994 -5.194 1.00 0.00 C ATOM 1819 C SER B 642 1.239 -22.173 -5.515 1.00 0.00 C ATOM 1820 O SER B 642 0.877 -22.886 -6.450 1.00 0.00 O ATOM 1821 CB SER B 642 3.252 -23.234 -4.473 1.00 0.00 C ATOM 1822 OG SER B 642 4.660 -23.174 -4.327 1.00 0.00 O ATOM 0 H SER B 642 3.205 -20.995 -3.414 1.00 0.00 H new ATOM 0 HA SER B 642 3.264 -21.866 -6.130 1.00 0.00 H new ATOM 0 HB2 SER B 642 2.785 -23.316 -3.492 1.00 0.00 H new ATOM 0 HB3 SER B 642 2.979 -24.129 -5.032 1.00 0.00 H new ATOM 0 HG SER B 642 4.975 -23.977 -3.862 1.00 0.00 H new ATOM 1827 N ALA B 643 0.387 -21.521 -4.730 1.00 0.00 N ATOM 1828 CA ALA B 643 -1.054 -21.607 -4.930 1.00 0.00 C ATOM 1829 C ALA B 643 -1.507 -20.688 -6.060 1.00 0.00 C ATOM 1830 O ALA B 643 -2.634 -20.794 -6.545 1.00 0.00 O ATOM 1831 CB ALA B 643 -1.788 -21.263 -3.642 1.00 0.00 C ATOM 0 H ALA B 643 0.670 -20.928 -3.950 1.00 0.00 H new ATOM 0 HA ALA B 643 -1.296 -22.632 -5.210 1.00 0.00 H new ATOM 0 HB1 ALA B 643 -2.863 -21.331 -3.807 1.00 0.00 H new ATOM 0 HB2 ALA B 643 -1.496 -21.962 -2.859 1.00 0.00 H new ATOM 0 HB3 ALA B 643 -1.532 -20.248 -3.337 1.00 0.00 H new ATOM 1837 N TRP B 644 -0.623 -19.788 -6.475 1.00 0.00 N ATOM 1838 CA TRP B 644 -0.932 -18.851 -7.548 1.00 0.00 C ATOM 1839 C TRP B 644 -1.467 -19.583 -8.775 1.00 0.00 C ATOM 1840 O TRP B 644 -1.123 -20.741 -9.014 1.00 0.00 O ATOM 1841 CB TRP B 644 0.311 -18.044 -7.923 1.00 0.00 C ATOM 1842 CG TRP B 644 -0.004 -16.671 -8.437 1.00 0.00 C ATOM 1843 CD1 TRP B 644 0.110 -16.232 -9.725 1.00 0.00 C ATOM 1844 CD2 TRP B 644 -0.482 -15.559 -7.672 1.00 0.00 C ATOM 1845 NE1 TRP B 644 -0.269 -14.913 -9.808 1.00 0.00 N ATOM 1846 CE2 TRP B 644 -0.637 -14.478 -8.562 1.00 0.00 C ATOM 1847 CE3 TRP B 644 -0.796 -15.371 -6.324 1.00 0.00 C ATOM 1848 CZ2 TRP B 644 -1.091 -13.230 -8.144 1.00 0.00 C ATOM 1849 CZ3 TRP B 644 -1.246 -14.132 -5.911 1.00 0.00 C ATOM 1850 CH2 TRP B 644 -1.391 -13.074 -6.818 1.00 0.00 C ATOM 0 H TRP B 644 0.314 -19.688 -6.084 1.00 0.00 H new ATOM 0 HA TRP B 644 -1.704 -18.170 -7.189 1.00 0.00 H new ATOM 0 HB2 TRP B 644 0.957 -17.958 -7.049 1.00 0.00 H new ATOM 0 HB3 TRP B 644 0.873 -18.588 -8.682 1.00 0.00 H new ATOM 0 HD1 TRP B 644 0.448 -16.833 -10.556 1.00 0.00 H new ATOM 0 HE1 TRP B 644 -0.275 -14.350 -10.659 1.00 0.00 H new ATOM 0 HE3 TRP B 644 -0.689 -16.180 -5.617 1.00 0.00 H new ATOM 0 HZ2 TRP B 644 -1.203 -12.413 -8.842 1.00 0.00 H new ATOM 0 HZ3 TRP B 644 -1.490 -13.976 -4.871 1.00 0.00 H new ATOM 0 HH2 TRP B 644 -1.746 -12.117 -6.464 1.00 0.00 H new ATOM 1860 N GLN B 645 -2.307 -18.903 -9.546 1.00 0.00 N ATOM 1861 CA GLN B 645 -2.888 -19.491 -10.748 1.00 0.00 C ATOM 1862 C GLN B 645 -2.240 -18.915 -12.003 1.00 0.00 C ATOM 1863 O GLN B 645 -2.083 -19.610 -13.006 1.00 0.00 O ATOM 1864 CB GLN B 645 -4.398 -19.248 -10.781 1.00 0.00 C ATOM 1865 CG GLN B 645 -5.160 -20.011 -9.711 1.00 0.00 C ATOM 1866 CD GLN B 645 -5.119 -21.511 -9.923 1.00 0.00 C ATOM 1867 OE1 GLN B 645 -5.962 -22.075 -10.622 1.00 0.00 O ATOM 1868 NE2 GLN B 645 -4.136 -22.169 -9.319 1.00 0.00 N ATOM 0 H GLN B 645 -2.601 -17.944 -9.361 1.00 0.00 H new ATOM 0 HA GLN B 645 -2.701 -20.565 -10.725 1.00 0.00 H new ATOM 0 HB2 GLN B 645 -4.589 -18.182 -10.660 1.00 0.00 H new ATOM 0 HB3 GLN B 645 -4.782 -19.532 -11.761 1.00 0.00 H new ATOM 0 HG2 GLN B 645 -4.740 -19.775 -8.733 1.00 0.00 H new ATOM 0 HG3 GLN B 645 -6.198 -19.677 -9.702 1.00 0.00 H new ATOM 0 HE21 GLN B 645 -3.458 -21.663 -8.749 1.00 0.00 H new ATOM 0 HE22 GLN B 645 -4.059 -23.180 -9.425 1.00 0.00 H new ATOM 1875 N GLY B 646 -1.867 -17.641 -11.940 1.00 0.00 N ATOM 1876 CA GLY B 646 -1.242 -16.995 -13.078 1.00 0.00 C ATOM 1877 C GLY B 646 -2.045 -17.160 -14.353 1.00 0.00 C ATOM 1878 O GLY B 646 -1.488 -17.154 -15.452 1.00 0.00 O ATOM 0 H GLY B 646 -1.987 -17.045 -11.121 1.00 0.00 H new ATOM 0 HA2 GLY B 646 -1.118 -15.933 -12.866 1.00 0.00 H new ATOM 0 HA3 GLY B 646 -0.245 -17.410 -13.224 1.00 0.00 H new ATOM 1882 N ASP B 647 -3.357 -17.309 -14.208 1.00 0.00 N ATOM 1883 CA ASP B 647 -4.239 -17.477 -15.356 1.00 0.00 C ATOM 1884 C ASP B 647 -5.353 -16.435 -15.344 1.00 0.00 C ATOM 1885 O ASP B 647 -6.366 -16.585 -16.028 1.00 0.00 O ATOM 1886 CB ASP B 647 -4.839 -18.885 -15.364 1.00 0.00 C ATOM 1887 CG ASP B 647 -4.510 -19.646 -16.632 1.00 0.00 C ATOM 1888 OD1 ASP B 647 -3.313 -19.747 -16.971 1.00 0.00 O ATOM 1889 OD2 ASP B 647 -5.451 -20.142 -17.288 1.00 0.00 O ATOM 0 H ASP B 647 -3.833 -17.317 -13.306 1.00 0.00 H new ATOM 0 HA ASP B 647 -3.647 -17.338 -16.261 1.00 0.00 H new ATOM 0 HB2 ASP B 647 -4.467 -19.440 -14.503 1.00 0.00 H new ATOM 0 HB3 ASP B 647 -5.921 -18.816 -15.255 1.00 0.00 H new ATOM 1893 N THR B 648 -5.161 -15.380 -14.559 1.00 0.00 N ATOM 1894 CA THR B 648 -6.150 -14.314 -14.454 1.00 0.00 C ATOM 1895 C THR B 648 -5.556 -12.971 -14.860 1.00 0.00 C ATOM 1896 O THR B 648 -6.254 -12.105 -15.384 1.00 0.00 O ATOM 1897 CB THR B 648 -6.708 -14.204 -13.023 1.00 0.00 C ATOM 1898 OG1 THR B 648 -5.727 -13.621 -12.158 1.00 0.00 O ATOM 1899 CG2 THR B 648 -7.110 -15.573 -12.493 1.00 0.00 C ATOM 0 H THR B 648 -4.329 -15.241 -13.986 1.00 0.00 H new ATOM 0 HA THR B 648 -6.963 -14.569 -15.134 1.00 0.00 H new ATOM 0 HB THR B 648 -7.592 -13.567 -13.049 1.00 0.00 H new ATOM 0 HG1 THR B 648 -5.089 -14.309 -11.876 1.00 0.00 H new ATOM 0 HG21 THR B 648 -7.501 -15.471 -11.481 1.00 0.00 H new ATOM 0 HG22 THR B 648 -7.878 -16.002 -13.137 1.00 0.00 H new ATOM 0 HG23 THR B 648 -6.239 -16.229 -12.481 1.00 0.00 H new ATOM 1907 N GLY B 649 -4.260 -12.803 -14.614 1.00 0.00 N ATOM 1908 CA GLY B 649 -3.593 -11.562 -14.961 1.00 0.00 C ATOM 1909 C GLY B 649 -2.249 -11.415 -14.277 1.00 0.00 C ATOM 1910 O GLY B 649 -1.212 -11.738 -14.855 1.00 0.00 O ATOM 0 H GLY B 649 -3.660 -13.505 -14.180 1.00 0.00 H new ATOM 0 HA2 GLY B 649 -3.454 -11.518 -16.041 1.00 0.00 H new ATOM 0 HA3 GLY B 649 -4.231 -10.722 -14.687 1.00 0.00 H new ATOM 1914 N ILE B 650 -2.266 -10.924 -13.042 1.00 0.00 N ATOM 1915 CA ILE B 650 -1.039 -10.732 -12.278 1.00 0.00 C ATOM 1916 C ILE B 650 -0.359 -12.067 -11.990 1.00 0.00 C ATOM 1917 O ILE B 650 -1.019 -13.060 -11.680 1.00 0.00 O ATOM 1918 CB ILE B 650 -1.311 -10.009 -10.947 1.00 0.00 C ATOM 1919 CG1 ILE B 650 -1.951 -8.643 -11.206 1.00 0.00 C ATOM 1920 CG2 ILE B 650 -0.021 -9.854 -10.155 1.00 0.00 C ATOM 1921 CD1 ILE B 650 -2.227 -7.857 -9.943 1.00 0.00 C ATOM 0 H ILE B 650 -3.116 -10.652 -12.549 1.00 0.00 H new ATOM 0 HA ILE B 650 -0.380 -10.114 -12.888 1.00 0.00 H new ATOM 0 HB ILE B 650 -2.005 -10.609 -10.359 1.00 0.00 H new ATOM 0 HG12 ILE B 650 -1.295 -8.060 -11.852 1.00 0.00 H new ATOM 0 HG13 ILE B 650 -2.886 -8.785 -11.748 1.00 0.00 H new ATOM 0 HG21 ILE B 650 -0.230 -9.341 -9.216 1.00 0.00 H new ATOM 0 HG22 ILE B 650 0.398 -10.838 -9.945 1.00 0.00 H new ATOM 0 HG23 ILE B 650 0.695 -9.272 -10.735 1.00 0.00 H new ATOM 0 HD11 ILE B 650 -2.680 -6.900 -10.202 1.00 0.00 H new ATOM 0 HD12 ILE B 650 -2.908 -8.421 -9.305 1.00 0.00 H new ATOM 0 HD13 ILE B 650 -1.292 -7.683 -9.411 1.00 0.00 H new ATOM 1932 N THR B 651 0.966 -12.084 -12.090 1.00 0.00 N ATOM 1933 CA THR B 651 1.737 -13.295 -11.840 1.00 0.00 C ATOM 1934 C THR B 651 2.258 -13.327 -10.408 1.00 0.00 C ATOM 1935 O THR B 651 2.331 -12.297 -9.740 1.00 0.00 O ATOM 1936 CB THR B 651 2.927 -13.415 -12.811 1.00 0.00 C ATOM 1937 OG1 THR B 651 2.752 -12.519 -13.913 1.00 0.00 O ATOM 1938 CG2 THR B 651 3.063 -14.840 -13.325 1.00 0.00 C ATOM 0 H THR B 651 1.528 -11.271 -12.343 1.00 0.00 H new ATOM 0 HA THR B 651 1.064 -14.137 -11.998 1.00 0.00 H new ATOM 0 HB THR B 651 3.837 -13.152 -12.271 1.00 0.00 H new ATOM 0 HG1 THR B 651 3.513 -12.600 -14.525 1.00 0.00 H new ATOM 0 HG21 THR B 651 3.910 -14.901 -14.009 1.00 0.00 H new ATOM 0 HG22 THR B 651 3.225 -15.516 -12.485 1.00 0.00 H new ATOM 0 HG23 THR B 651 2.151 -15.126 -13.850 1.00 0.00 H new ATOM 1946 N TYR B 652 2.620 -14.518 -9.943 1.00 0.00 N ATOM 1947 CA TYR B 652 3.134 -14.686 -8.588 1.00 0.00 C ATOM 1948 C TYR B 652 4.267 -13.703 -8.310 1.00 0.00 C ATOM 1949 O TYR B 652 4.309 -13.071 -7.255 1.00 0.00 O ATOM 1950 CB TYR B 652 3.623 -16.119 -8.380 1.00 0.00 C ATOM 1951 CG TYR B 652 4.709 -16.535 -9.347 1.00 0.00 C ATOM 1952 CD1 TYR B 652 4.394 -16.996 -10.619 1.00 0.00 C ATOM 1953 CD2 TYR B 652 6.050 -16.466 -8.989 1.00 0.00 C ATOM 1954 CE1 TYR B 652 5.381 -17.378 -11.506 1.00 0.00 C ATOM 1955 CE2 TYR B 652 7.044 -16.843 -9.871 1.00 0.00 C ATOM 1956 CZ TYR B 652 6.706 -17.299 -11.127 1.00 0.00 C ATOM 1957 OH TYR B 652 7.693 -17.677 -12.009 1.00 0.00 O ATOM 0 H TYR B 652 2.567 -15.381 -10.484 1.00 0.00 H new ATOM 0 HA TYR B 652 2.322 -14.482 -7.890 1.00 0.00 H new ATOM 0 HB2 TYR B 652 3.996 -16.222 -7.361 1.00 0.00 H new ATOM 0 HB3 TYR B 652 2.778 -16.800 -8.480 1.00 0.00 H new ATOM 0 HD1 TYR B 652 3.358 -17.057 -10.920 1.00 0.00 H new ATOM 0 HD2 TYR B 652 6.319 -16.112 -8.005 1.00 0.00 H new ATOM 0 HE1 TYR B 652 5.118 -17.736 -12.490 1.00 0.00 H new ATOM 0 HE2 TYR B 652 8.082 -16.781 -9.578 1.00 0.00 H new ATOM 0 HH TYR B 652 8.082 -16.880 -12.426 1.00 0.00 H new ATOM 1966 N GLN B 653 5.182 -13.580 -9.266 1.00 0.00 N ATOM 1967 CA GLN B 653 6.317 -12.674 -9.125 1.00 0.00 C ATOM 1968 C GLN B 653 5.883 -11.225 -9.318 1.00 0.00 C ATOM 1969 O GLN B 653 6.316 -10.334 -8.588 1.00 0.00 O ATOM 1970 CB GLN B 653 7.410 -13.032 -10.132 1.00 0.00 C ATOM 1971 CG GLN B 653 6.945 -12.980 -11.579 1.00 0.00 C ATOM 1972 CD GLN B 653 8.004 -13.463 -12.550 1.00 0.00 C ATOM 1973 OE1 GLN B 653 8.181 -14.666 -12.747 1.00 0.00 O ATOM 1974 NE2 GLN B 653 8.717 -12.525 -13.163 1.00 0.00 N ATOM 0 H GLN B 653 5.160 -14.096 -10.146 1.00 0.00 H new ATOM 0 HA GLN B 653 6.715 -12.783 -8.116 1.00 0.00 H new ATOM 0 HB2 GLN B 653 8.249 -12.348 -10.004 1.00 0.00 H new ATOM 0 HB3 GLN B 653 7.780 -14.034 -9.914 1.00 0.00 H new ATOM 0 HG2 GLN B 653 6.049 -13.591 -11.691 1.00 0.00 H new ATOM 0 HG3 GLN B 653 6.666 -11.957 -11.831 1.00 0.00 H new ATOM 0 HE21 GLN B 653 8.537 -11.540 -12.970 1.00 0.00 H new ATOM 0 HE22 GLN B 653 9.445 -12.790 -13.827 1.00 0.00 H new ATOM 1981 N ALA B 654 5.026 -10.996 -10.309 1.00 0.00 N ATOM 1982 CA ALA B 654 4.534 -9.656 -10.598 1.00 0.00 C ATOM 1983 C ALA B 654 3.860 -9.042 -9.374 1.00 0.00 C ATOM 1984 O ALA B 654 4.165 -7.913 -8.988 1.00 0.00 O ATOM 1985 CB ALA B 654 3.566 -9.690 -11.772 1.00 0.00 C ATOM 0 H ALA B 654 4.659 -11.722 -10.924 1.00 0.00 H new ATOM 0 HA ALA B 654 5.388 -9.032 -10.862 1.00 0.00 H new ATOM 0 HB1 ALA B 654 3.206 -8.682 -11.976 1.00 0.00 H new ATOM 0 HB2 ALA B 654 4.076 -10.079 -12.653 1.00 0.00 H new ATOM 0 HB3 ALA B 654 2.721 -10.334 -11.528 1.00 0.00 H new ATOM 1991 N TRP B 655 2.945 -9.791 -8.770 1.00 0.00 N ATOM 1992 CA TRP B 655 2.229 -9.319 -7.591 1.00 0.00 C ATOM 1993 C TRP B 655 3.203 -8.878 -6.503 1.00 0.00 C ATOM 1994 O TRP B 655 2.985 -7.866 -5.838 1.00 0.00 O ATOM 1995 CB TRP B 655 1.310 -10.417 -7.055 1.00 0.00 C ATOM 1996 CG TRP B 655 0.355 -9.933 -6.005 1.00 0.00 C ATOM 1997 CD1 TRP B 655 -0.974 -9.662 -6.169 1.00 0.00 C ATOM 1998 CD2 TRP B 655 0.657 -9.660 -4.633 1.00 0.00 C ATOM 1999 NE1 TRP B 655 -1.516 -9.238 -4.980 1.00 0.00 N ATOM 2000 CE2 TRP B 655 -0.537 -9.228 -4.022 1.00 0.00 C ATOM 2001 CE3 TRP B 655 1.818 -9.739 -3.860 1.00 0.00 C ATOM 2002 CZ2 TRP B 655 -0.599 -8.877 -2.676 1.00 0.00 C ATOM 2003 CZ3 TRP B 655 1.754 -9.390 -2.524 1.00 0.00 C ATOM 2004 CH2 TRP B 655 0.552 -8.965 -1.943 1.00 0.00 C ATOM 0 H TRP B 655 2.681 -10.727 -9.077 1.00 0.00 H new ATOM 0 HA TRP B 655 1.625 -8.459 -7.882 1.00 0.00 H new ATOM 0 HB2 TRP B 655 0.743 -10.843 -7.883 1.00 0.00 H new ATOM 0 HB3 TRP B 655 1.919 -11.220 -6.640 1.00 0.00 H new ATOM 0 HD1 TRP B 655 -1.518 -9.766 -7.096 1.00 0.00 H new ATOM 0 HE1 TRP B 655 -2.490 -8.973 -4.834 1.00 0.00 H new ATOM 0 HE3 TRP B 655 2.749 -10.067 -4.298 1.00 0.00 H new ATOM 0 HZ2 TRP B 655 -1.524 -8.547 -2.227 1.00 0.00 H new ATOM 0 HZ3 TRP B 655 2.646 -9.446 -1.918 1.00 0.00 H new ATOM 0 HH2 TRP B 655 0.534 -8.702 -0.896 1.00 0.00 H new ATOM 2014 N GLN B 656 4.275 -9.644 -6.329 1.00 0.00 N ATOM 2015 CA GLN B 656 5.280 -9.330 -5.321 1.00 0.00 C ATOM 2016 C GLN B 656 5.895 -7.958 -5.573 1.00 0.00 C ATOM 2017 O GLN B 656 5.878 -7.089 -4.702 1.00 0.00 O ATOM 2018 CB GLN B 656 6.375 -10.399 -5.312 1.00 0.00 C ATOM 2019 CG GLN B 656 5.931 -11.721 -4.707 1.00 0.00 C ATOM 2020 CD GLN B 656 7.019 -12.379 -3.882 1.00 0.00 C ATOM 2021 OE1 GLN B 656 7.636 -13.417 -4.435 1.00 0.00 O flip ATOM 2022 NE2 GLN B 656 7.301 -11.961 -2.758 1.00 0.00 N flip ATOM 0 H GLN B 656 4.470 -10.485 -6.872 1.00 0.00 H new ATOM 0 HA GLN B 656 4.789 -9.314 -4.348 1.00 0.00 H new ATOM 0 HB2 GLN B 656 6.711 -10.572 -6.335 1.00 0.00 H new ATOM 0 HB3 GLN B 656 7.233 -10.024 -4.754 1.00 0.00 H new ATOM 0 HG2 GLN B 656 5.056 -11.553 -4.080 1.00 0.00 H new ATOM 0 HG3 GLN B 656 5.626 -12.398 -5.505 1.00 0.00 H new ATOM 0 HE21 GLN B 656 6.801 -11.160 -2.372 1.00 0.00 H new ATOM 0 HE22 GLN B 656 8.034 -12.416 -2.214 1.00 0.00 H new ATOM 2029 N ALA B 657 6.438 -7.770 -6.771 1.00 0.00 N ATOM 2030 CA ALA B 657 7.057 -6.502 -7.139 1.00 0.00 C ATOM 2031 C ALA B 657 6.020 -5.387 -7.214 1.00 0.00 C ATOM 2032 O ALA B 657 6.355 -4.208 -7.099 1.00 0.00 O ATOM 2033 CB ALA B 657 7.787 -6.637 -8.467 1.00 0.00 C ATOM 0 H ALA B 657 6.462 -8.479 -7.504 1.00 0.00 H new ATOM 0 HA ALA B 657 7.779 -6.240 -6.365 1.00 0.00 H new ATOM 0 HB1 ALA B 657 8.244 -5.683 -8.729 1.00 0.00 H new ATOM 0 HB2 ALA B 657 8.561 -7.399 -8.381 1.00 0.00 H new ATOM 0 HB3 ALA B 657 7.079 -6.926 -9.244 1.00 0.00 H new ATOM 2039 N GLN B 658 4.762 -5.767 -7.408 1.00 0.00 N ATOM 2040 CA GLN B 658 3.676 -4.797 -7.499 1.00 0.00 C ATOM 2041 C GLN B 658 3.308 -4.261 -6.120 1.00 0.00 C ATOM 2042 O GLN B 658 3.265 -3.049 -5.905 1.00 0.00 O ATOM 2043 CB GLN B 658 2.450 -5.432 -8.156 1.00 0.00 C ATOM 2044 CG GLN B 658 2.419 -5.274 -9.668 1.00 0.00 C ATOM 2045 CD GLN B 658 1.143 -5.812 -10.285 1.00 0.00 C ATOM 2046 OE1 GLN B 658 0.064 -5.252 -10.095 1.00 0.00 O ATOM 2047 NE2 GLN B 658 1.261 -6.907 -11.028 1.00 0.00 N ATOM 0 H GLN B 658 4.469 -6.739 -7.505 1.00 0.00 H new ATOM 0 HA GLN B 658 4.018 -3.964 -8.113 1.00 0.00 H new ATOM 0 HB2 GLN B 658 2.425 -6.493 -7.909 1.00 0.00 H new ATOM 0 HB3 GLN B 658 1.550 -4.985 -7.734 1.00 0.00 H new ATOM 0 HG2 GLN B 658 2.524 -4.219 -9.921 1.00 0.00 H new ATOM 0 HG3 GLN B 658 3.274 -5.793 -10.101 1.00 0.00 H new ATOM 0 HE21 GLN B 658 2.176 -7.338 -11.159 1.00 0.00 H new ATOM 0 HE22 GLN B 658 0.437 -7.316 -11.468 1.00 0.00 H new ATOM 2054 N TRP B 659 3.043 -5.169 -5.188 1.00 0.00 N ATOM 2055 CA TRP B 659 2.677 -4.786 -3.829 1.00 0.00 C ATOM 2056 C TRP B 659 3.740 -3.882 -3.215 1.00 0.00 C ATOM 2057 O TRP B 659 3.433 -2.803 -2.709 1.00 0.00 O ATOM 2058 CB TRP B 659 2.485 -6.031 -2.962 1.00 0.00 C ATOM 2059 CG TRP B 659 1.867 -5.736 -1.629 1.00 0.00 C ATOM 2060 CD1 TRP B 659 2.524 -5.526 -0.450 1.00 0.00 C ATOM 2061 CD2 TRP B 659 0.470 -5.620 -1.338 1.00 0.00 C ATOM 2062 NE1 TRP B 659 1.620 -5.286 0.556 1.00 0.00 N ATOM 2063 CE2 TRP B 659 0.353 -5.337 0.038 1.00 0.00 C ATOM 2064 CE3 TRP B 659 -0.692 -5.725 -2.105 1.00 0.00 C ATOM 2065 CZ2 TRP B 659 -0.881 -5.160 0.659 1.00 0.00 C ATOM 2066 CZ3 TRP B 659 -1.916 -5.549 -1.486 1.00 0.00 C ATOM 2067 CH2 TRP B 659 -2.003 -5.269 -0.117 1.00 0.00 C ATOM 0 H TRP B 659 3.075 -6.176 -5.348 1.00 0.00 H new ATOM 0 HA TRP B 659 1.738 -4.234 -3.872 1.00 0.00 H new ATOM 0 HB2 TRP B 659 1.857 -6.744 -3.496 1.00 0.00 H new ATOM 0 HB3 TRP B 659 3.452 -6.511 -2.808 1.00 0.00 H new ATOM 0 HD1 TRP B 659 3.597 -5.546 -0.327 1.00 0.00 H new ATOM 0 HE1 TRP B 659 1.854 -5.100 1.531 1.00 0.00 H new ATOM 0 HE3 TRP B 659 -0.636 -5.940 -3.162 1.00 0.00 H new ATOM 0 HZ2 TRP B 659 -0.950 -4.944 1.715 1.00 0.00 H new ATOM 0 HZ3 TRP B 659 -2.821 -5.629 -2.069 1.00 0.00 H new ATOM 0 HH2 TRP B 659 -2.975 -5.136 0.336 1.00 0.00 H new ATOM 2077 N ASN B 660 4.990 -4.330 -3.260 1.00 0.00 N ATOM 2078 CA ASN B 660 6.099 -3.561 -2.706 1.00 0.00 C ATOM 2079 C ASN B 660 6.196 -2.191 -3.372 1.00 0.00 C ATOM 2080 O ASN B 660 6.121 -1.160 -2.705 1.00 0.00 O ATOM 2081 CB ASN B 660 7.414 -4.322 -2.884 1.00 0.00 C ATOM 2082 CG ASN B 660 7.588 -5.423 -1.856 1.00 0.00 C ATOM 2083 OD1 ASN B 660 6.834 -6.396 -1.840 1.00 0.00 O ATOM 2084 ND2 ASN B 660 8.586 -5.276 -0.994 1.00 0.00 N ATOM 0 H ASN B 660 5.261 -5.222 -3.674 1.00 0.00 H new ATOM 0 HA ASN B 660 5.913 -3.416 -1.642 1.00 0.00 H new ATOM 0 HB2 ASN B 660 7.448 -4.754 -3.884 1.00 0.00 H new ATOM 0 HB3 ASN B 660 8.248 -3.624 -2.809 1.00 0.00 H new ATOM 0 HD21 ASN B 660 8.753 -5.986 -0.281 1.00 0.00 H new ATOM 0 HD22 ASN B 660 9.186 -4.453 -1.044 1.00 0.00 H new ATOM 2090 N GLN B 661 6.363 -2.191 -4.690 1.00 0.00 N ATOM 2091 CA GLN B 661 6.470 -0.949 -5.446 1.00 0.00 C ATOM 2092 C GLN B 661 5.311 -0.012 -5.122 1.00 0.00 C ATOM 2093 O GLN B 661 5.508 1.183 -4.904 1.00 0.00 O ATOM 2094 CB GLN B 661 6.502 -1.241 -6.947 1.00 0.00 C ATOM 2095 CG GLN B 661 7.849 -1.745 -7.441 1.00 0.00 C ATOM 2096 CD GLN B 661 8.793 -0.620 -7.814 1.00 0.00 C ATOM 2097 OE1 GLN B 661 8.602 0.056 -8.827 1.00 0.00 O ATOM 2098 NE2 GLN B 661 9.818 -0.411 -6.996 1.00 0.00 N ATOM 0 H GLN B 661 6.427 -3.037 -5.257 1.00 0.00 H new ATOM 0 HA GLN B 661 7.400 -0.458 -5.159 1.00 0.00 H new ATOM 0 HB2 GLN B 661 5.738 -1.983 -7.181 1.00 0.00 H new ATOM 0 HB3 GLN B 661 6.242 -0.333 -7.491 1.00 0.00 H new ATOM 0 HG2 GLN B 661 8.309 -2.358 -6.666 1.00 0.00 H new ATOM 0 HG3 GLN B 661 7.696 -2.388 -8.308 1.00 0.00 H new ATOM 0 HE21 GLN B 661 9.937 -0.995 -6.168 1.00 0.00 H new ATOM 0 HE22 GLN B 661 10.486 0.334 -7.195 1.00 0.00 H new ATOM 2105 N ALA B 662 4.103 -0.564 -5.093 1.00 0.00 N ATOM 2106 CA ALA B 662 2.912 0.222 -4.794 1.00 0.00 C ATOM 2107 C ALA B 662 2.977 0.805 -3.387 1.00 0.00 C ATOM 2108 O ALA B 662 2.842 2.013 -3.198 1.00 0.00 O ATOM 2109 CB ALA B 662 1.662 -0.631 -4.956 1.00 0.00 C ATOM 0 H ALA B 662 3.923 -1.552 -5.273 1.00 0.00 H new ATOM 0 HA ALA B 662 2.868 1.051 -5.501 1.00 0.00 H new ATOM 0 HB1 ALA B 662 0.780 -0.031 -4.730 1.00 0.00 H new ATOM 0 HB2 ALA B 662 1.600 -0.994 -5.982 1.00 0.00 H new ATOM 0 HB3 ALA B 662 1.709 -1.479 -4.273 1.00 0.00 H new ATOM 2115 N MET B 663 3.185 -0.062 -2.402 1.00 0.00 N ATOM 2116 CA MET B 663 3.269 0.368 -1.010 1.00 0.00 C ATOM 2117 C MET B 663 4.271 1.507 -0.853 1.00 0.00 C ATOM 2118 O MET B 663 4.059 2.427 -0.066 1.00 0.00 O ATOM 2119 CB MET B 663 3.669 -0.807 -0.114 1.00 0.00 C ATOM 2120 CG MET B 663 4.064 -0.390 1.293 1.00 0.00 C ATOM 2121 SD MET B 663 2.764 0.533 2.135 1.00 0.00 S ATOM 2122 CE MET B 663 1.492 -0.720 2.269 1.00 0.00 C ATOM 0 H MET B 663 3.299 -1.066 -2.541 1.00 0.00 H new ATOM 0 HA MET B 663 2.286 0.728 -0.707 1.00 0.00 H new ATOM 0 HB2 MET B 663 2.837 -1.509 -0.056 1.00 0.00 H new ATOM 0 HB3 MET B 663 4.502 -1.337 -0.575 1.00 0.00 H new ATOM 0 HG2 MET B 663 4.309 -1.278 1.876 1.00 0.00 H new ATOM 0 HG3 MET B 663 4.966 0.220 1.247 1.00 0.00 H new ATOM 0 HE1 MET B 663 0.589 -0.278 2.689 1.00 0.00 H new ATOM 0 HE2 MET B 663 1.273 -1.123 1.280 1.00 0.00 H new ATOM 0 HE3 MET B 663 1.839 -1.523 2.919 1.00 0.00 H new ATOM 2130 N GLU B 664 5.364 1.436 -1.607 1.00 0.00 N ATOM 2131 CA GLU B 664 6.399 2.461 -1.549 1.00 0.00 C ATOM 2132 C GLU B 664 5.822 3.837 -1.871 1.00 0.00 C ATOM 2133 O GLU B 664 5.943 4.773 -1.081 1.00 0.00 O ATOM 2134 CB GLU B 664 7.531 2.131 -2.523 1.00 0.00 C ATOM 2135 CG GLU B 664 8.681 3.124 -2.480 1.00 0.00 C ATOM 2136 CD GLU B 664 9.998 2.511 -2.916 1.00 0.00 C ATOM 2137 OE1 GLU B 664 9.970 1.455 -3.582 1.00 0.00 O ATOM 2138 OE2 GLU B 664 11.056 3.088 -2.590 1.00 0.00 O ATOM 0 H GLU B 664 5.555 0.680 -2.264 1.00 0.00 H new ATOM 0 HA GLU B 664 6.797 2.481 -0.534 1.00 0.00 H new ATOM 0 HB2 GLU B 664 7.913 1.135 -2.298 1.00 0.00 H new ATOM 0 HB3 GLU B 664 7.129 2.097 -3.536 1.00 0.00 H new ATOM 0 HG2 GLU B 664 8.448 3.972 -3.124 1.00 0.00 H new ATOM 0 HG3 GLU B 664 8.783 3.512 -1.467 1.00 0.00 H new ATOM 2143 N ASP B 665 5.193 3.950 -3.036 1.00 0.00 N ATOM 2144 CA ASP B 665 4.595 5.210 -3.463 1.00 0.00 C ATOM 2145 C ASP B 665 3.370 5.544 -2.619 1.00 0.00 C ATOM 2146 O ASP B 665 3.030 6.713 -2.435 1.00 0.00 O ATOM 2147 CB ASP B 665 4.207 5.138 -4.941 1.00 0.00 C ATOM 2148 CG ASP B 665 4.060 6.511 -5.568 1.00 0.00 C ATOM 2149 OD1 ASP B 665 4.966 7.350 -5.377 1.00 0.00 O ATOM 2150 OD2 ASP B 665 3.042 6.746 -6.250 1.00 0.00 O ATOM 0 H ASP B 665 5.084 3.185 -3.701 1.00 0.00 H new ATOM 0 HA ASP B 665 5.334 6.000 -3.326 1.00 0.00 H new ATOM 0 HB2 ASP B 665 4.963 4.572 -5.485 1.00 0.00 H new ATOM 0 HB3 ASP B 665 3.268 4.593 -5.041 1.00 0.00 H new ATOM 2154 N LEU B 666 2.710 4.511 -2.107 1.00 0.00 N ATOM 2155 CA LEU B 666 1.521 4.694 -1.282 1.00 0.00 C ATOM 2156 C LEU B 666 1.871 5.388 0.030 1.00 0.00 C ATOM 2157 O LEU B 666 1.117 6.228 0.521 1.00 0.00 O ATOM 2158 CB LEU B 666 0.861 3.344 -0.997 1.00 0.00 C ATOM 2159 CG LEU B 666 0.335 3.141 0.424 1.00 0.00 C ATOM 2160 CD1 LEU B 666 -0.829 4.079 0.703 1.00 0.00 C ATOM 2161 CD2 LEU B 666 -0.081 1.693 0.637 1.00 0.00 C ATOM 0 H LEU B 666 2.978 3.537 -2.249 1.00 0.00 H new ATOM 0 HA LEU B 666 0.822 5.325 -1.831 1.00 0.00 H new ATOM 0 HB2 LEU B 666 0.032 3.214 -1.692 1.00 0.00 H new ATOM 0 HB3 LEU B 666 1.583 2.556 -1.212 1.00 0.00 H new ATOM 0 HG LEU B 666 1.137 3.374 1.124 1.00 0.00 H new ATOM 0 HD11 LEU B 666 -1.189 3.919 1.719 1.00 0.00 H new ATOM 0 HD12 LEU B 666 -0.498 5.112 0.593 1.00 0.00 H new ATOM 0 HD13 LEU B 666 -1.635 3.879 -0.003 1.00 0.00 H new ATOM 0 HD21 LEU B 666 -0.453 1.567 1.654 1.00 0.00 H new ATOM 0 HD22 LEU B 666 -0.867 1.432 -0.072 1.00 0.00 H new ATOM 0 HD23 LEU B 666 0.778 1.041 0.482 1.00 0.00 H new ATOM 2172 N VAL B 667 3.023 5.034 0.593 1.00 0.00 N ATOM 2173 CA VAL B 667 3.475 5.625 1.846 1.00 0.00 C ATOM 2174 C VAL B 667 3.776 7.110 1.677 1.00 0.00 C ATOM 2175 O VAL B 667 3.289 7.944 2.441 1.00 0.00 O ATOM 2176 CB VAL B 667 4.733 4.915 2.380 1.00 0.00 C ATOM 2177 CG1 VAL B 667 5.226 5.587 3.653 1.00 0.00 C ATOM 2178 CG2 VAL B 667 4.451 3.440 2.620 1.00 0.00 C ATOM 0 H VAL B 667 3.660 4.341 0.200 1.00 0.00 H new ATOM 0 HA VAL B 667 2.664 5.501 2.564 1.00 0.00 H new ATOM 0 HB VAL B 667 5.519 4.993 1.629 1.00 0.00 H new ATOM 0 HG11 VAL B 667 6.115 5.072 4.016 1.00 0.00 H new ATOM 0 HG12 VAL B 667 5.470 6.628 3.444 1.00 0.00 H new ATOM 0 HG13 VAL B 667 4.446 5.543 4.413 1.00 0.00 H new ATOM 0 HG21 VAL B 667 5.351 2.954 2.997 1.00 0.00 H new ATOM 0 HG22 VAL B 667 3.649 3.337 3.351 1.00 0.00 H new ATOM 0 HG23 VAL B 667 4.150 2.970 1.684 1.00 0.00 H new ATOM 2188 N ARG B 668 4.582 7.434 0.671 1.00 0.00 N ATOM 2189 CA ARG B 668 4.949 8.818 0.401 1.00 0.00 C ATOM 2190 C ARG B 668 3.730 9.630 -0.027 1.00 0.00 C ATOM 2191 O ARG B 668 3.577 10.789 0.357 1.00 0.00 O ATOM 2192 CB ARG B 668 6.023 8.882 -0.686 1.00 0.00 C ATOM 2193 CG ARG B 668 7.380 8.370 -0.231 1.00 0.00 C ATOM 2194 CD ARG B 668 8.437 8.559 -1.308 1.00 0.00 C ATOM 2195 NE ARG B 668 9.719 8.978 -0.749 1.00 0.00 N ATOM 2196 CZ ARG B 668 9.999 10.232 -0.413 1.00 0.00 C ATOM 2197 NH1 ARG B 668 9.092 11.185 -0.578 1.00 0.00 N ATOM 2198 NH2 ARG B 668 11.188 10.536 0.090 1.00 0.00 N ATOM 0 H ARG B 668 4.993 6.756 0.029 1.00 0.00 H new ATOM 0 HA ARG B 668 5.347 9.247 1.321 1.00 0.00 H new ATOM 0 HB2 ARG B 668 5.693 8.299 -1.546 1.00 0.00 H new ATOM 0 HB3 ARG B 668 6.127 9.914 -1.022 1.00 0.00 H new ATOM 0 HG2 ARG B 668 7.683 8.896 0.674 1.00 0.00 H new ATOM 0 HG3 ARG B 668 7.304 7.313 0.024 1.00 0.00 H new ATOM 0 HD2 ARG B 668 8.568 7.625 -1.855 1.00 0.00 H new ATOM 0 HD3 ARG B 668 8.094 9.304 -2.026 1.00 0.00 H new ATOM 0 HE ARG B 668 10.439 8.269 -0.609 1.00 0.00 H new ATOM 0 HH11 ARG B 668 8.176 10.956 -0.964 1.00 0.00 H new ATOM 0 HH12 ARG B 668 9.310 12.147 -0.319 1.00 0.00 H new ATOM 0 HH21 ARG B 668 11.889 9.806 0.219 1.00 0.00 H new ATOM 0 HH22 ARG B 668 11.402 11.500 0.348 1.00 0.00 H new ATOM 2209 N ALA B 669 2.864 9.014 -0.826 1.00 0.00 N ATOM 2210 CA ALA B 669 1.659 9.677 -1.305 1.00 0.00 C ATOM 2211 C ALA B 669 0.814 10.188 -0.143 1.00 0.00 C ATOM 2212 O ALA B 669 0.042 11.134 -0.292 1.00 0.00 O ATOM 2213 CB ALA B 669 0.845 8.731 -2.176 1.00 0.00 C ATOM 0 H ALA B 669 2.976 8.055 -1.155 1.00 0.00 H new ATOM 0 HA ALA B 669 1.962 10.535 -1.905 1.00 0.00 H new ATOM 0 HB1 ALA B 669 -0.052 9.241 -2.527 1.00 0.00 H new ATOM 0 HB2 ALA B 669 1.443 8.419 -3.032 1.00 0.00 H new ATOM 0 HB3 ALA B 669 0.561 7.854 -1.594 1.00 0.00 H new ATOM 2219 N TYR B 670 0.966 9.554 1.016 1.00 0.00 N ATOM 2220 CA TYR B 670 0.215 9.942 2.203 1.00 0.00 C ATOM 2221 C TYR B 670 0.913 11.080 2.942 1.00 0.00 C ATOM 2222 O TYR B 670 0.320 12.129 3.196 1.00 0.00 O ATOM 2223 CB TYR B 670 0.042 8.744 3.137 1.00 0.00 C ATOM 2224 CG TYR B 670 -0.760 9.056 4.381 1.00 0.00 C ATOM 2225 CD1 TYR B 670 -2.149 9.074 4.351 1.00 0.00 C ATOM 2226 CD2 TYR B 670 -0.126 9.331 5.587 1.00 0.00 C ATOM 2227 CE1 TYR B 670 -2.884 9.360 5.485 1.00 0.00 C ATOM 2228 CE2 TYR B 670 -0.854 9.616 6.727 1.00 0.00 C ATOM 2229 CZ TYR B 670 -2.232 9.630 6.671 1.00 0.00 C ATOM 2230 OH TYR B 670 -2.961 9.913 7.802 1.00 0.00 O ATOM 0 H TYR B 670 1.603 8.770 1.157 1.00 0.00 H new ATOM 0 HA TYR B 670 -0.767 10.289 1.882 1.00 0.00 H new ATOM 0 HB2 TYR B 670 -0.448 7.937 2.592 1.00 0.00 H new ATOM 0 HB3 TYR B 670 1.026 8.379 3.431 1.00 0.00 H new ATOM 0 HD1 TYR B 670 -2.663 8.861 3.425 1.00 0.00 H new ATOM 0 HD2 TYR B 670 0.953 9.322 5.634 1.00 0.00 H new ATOM 0 HE1 TYR B 670 -3.963 9.372 5.444 1.00 0.00 H new ATOM 0 HE2 TYR B 670 -0.346 9.827 7.657 1.00 0.00 H new ATOM 0 HH TYR B 670 -2.351 10.079 8.551 1.00 0.00 H new ATOM 2239 N HIS B 671 2.179 10.865 3.284 1.00 0.00 N ATOM 2240 CA HIS B 671 2.962 11.872 3.993 1.00 0.00 C ATOM 2241 C HIS B 671 3.080 13.149 3.167 1.00 0.00 C ATOM 2242 O HIS B 671 3.285 14.234 3.709 1.00 0.00 O ATOM 2243 CB HIS B 671 4.354 11.330 4.319 1.00 0.00 C ATOM 2244 CG HIS B 671 5.035 12.063 5.433 1.00 0.00 C ATOM 2245 ND1 HIS B 671 6.407 12.158 5.543 1.00 0.00 N ATOM 2246 CD2 HIS B 671 4.527 12.737 6.491 1.00 0.00 C ATOM 2247 CE1 HIS B 671 6.711 12.860 6.621 1.00 0.00 C ATOM 2248 NE2 HIS B 671 5.589 13.223 7.213 1.00 0.00 N ATOM 0 H HIS B 671 2.685 10.003 3.082 1.00 0.00 H new ATOM 0 HA HIS B 671 2.446 12.109 4.924 1.00 0.00 H new ATOM 0 HB2 HIS B 671 4.272 10.276 4.585 1.00 0.00 H new ATOM 0 HB3 HIS B 671 4.975 11.385 3.425 1.00 0.00 H new ATOM 0 HD2 HIS B 671 3.481 12.868 6.724 1.00 0.00 H new ATOM 0 HE1 HIS B 671 7.709 13.096 6.960 1.00 0.00 H new ATOM 0 HE2 HIS B 671 5.522 13.775 8.068 1.00 0.00 H new ATOM 2255 N ALA B 672 2.950 13.012 1.851 1.00 0.00 N ATOM 2256 CA ALA B 672 3.041 14.153 0.951 1.00 0.00 C ATOM 2257 C ALA B 672 2.088 15.265 1.377 1.00 0.00 C ATOM 2258 O ALA B 672 2.403 16.448 1.249 1.00 0.00 O ATOM 2259 CB ALA B 672 2.748 13.723 -0.479 1.00 0.00 C ATOM 0 H ALA B 672 2.781 12.120 1.385 1.00 0.00 H new ATOM 0 HA ALA B 672 4.058 14.543 1.000 1.00 0.00 H new ATOM 0 HB1 ALA B 672 2.820 14.586 -1.140 1.00 0.00 H new ATOM 0 HB2 ALA B 672 3.472 12.968 -0.788 1.00 0.00 H new ATOM 0 HB3 ALA B 672 1.743 13.306 -0.535 1.00 0.00 H new ATOM 2265 N MET B 673 0.922 14.878 1.883 1.00 0.00 N ATOM 2266 CA MET B 673 -0.077 15.843 2.328 1.00 0.00 C ATOM 2267 C MET B 673 0.534 16.847 3.301 1.00 0.00 C ATOM 2268 O MET B 673 0.389 18.058 3.130 1.00 0.00 O ATOM 2269 CB MET B 673 -1.252 15.123 2.992 1.00 0.00 C ATOM 2270 CG MET B 673 -2.307 16.067 3.545 1.00 0.00 C ATOM 2271 SD MET B 673 -3.875 15.240 3.875 1.00 0.00 S ATOM 2272 CE MET B 673 -3.315 13.807 4.792 1.00 0.00 C ATOM 0 H MET B 673 0.645 13.903 1.995 1.00 0.00 H new ATOM 0 HA MET B 673 -0.439 16.384 1.454 1.00 0.00 H new ATOM 0 HB2 MET B 673 -1.717 14.457 2.265 1.00 0.00 H new ATOM 0 HB3 MET B 673 -0.875 14.498 3.802 1.00 0.00 H new ATOM 0 HG2 MET B 673 -1.938 16.519 4.466 1.00 0.00 H new ATOM 0 HG3 MET B 673 -2.471 16.878 2.836 1.00 0.00 H new ATOM 0 HE1 MET B 673 -4.161 13.351 5.307 1.00 0.00 H new ATOM 0 HE2 MET B 673 -2.876 13.084 4.105 1.00 0.00 H new ATOM 0 HE3 MET B 673 -2.567 14.113 5.523 1.00 0.00 H new