USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 25 MET CE :methyl -115:sc= -2.31 (180deg=-3.73!) USER MOD Set 1.2: B 663 MET CE :methyl -121:sc= -2.33 (180deg=-5.04!) USER MOD Set 2.1: B 637 GLN : amide:sc= -6.83! C(o=-12!,f=-5!) USER MOD Set 2.2: B 641 GLN : amide:sc= -4.79! C(o=-12!,f=-5.1!) USER MOD Set 3.1: A 75 ASN : amide:sc= -0.544 K(o=-0.42,f=-3.1) USER MOD Set 3.2: B 648 THR OG1 : rot -97:sc= 0.123 USER MOD Set 4.1: A 66 ASN : amide:sc= -0.827 K(o=0.28,f=1) USER MOD Set 4.2: A 67 THR OG1 : rot 82:sc= 1.1 USER MOD Single : A 21 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0601) USER MOD Single : A 27 HIS : no HD1:sc= -1.16 X(o=-1.2,f=-0.72) USER MOD Single : A 28 THR OG1 : rot -80:sc= -1.17 USER MOD Single : A 31 GLN : amide:sc= -0.225 X(o=-0.22,f=-0.22) USER MOD Single : A 52 GLN : amide:sc= -0.184 K(o=-0.18,f=-1.5!) USER MOD Single : A 55 HIS : no HD1:sc= -0.785 K(o=-0.78,f=-0.16) USER MOD Single : A 64 LYS NZ :NH3+ -116:sc= -1.06 (180deg=-1.09) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0.037) USER MOD Single : B 622 TYR OH : rot 180:sc= 0 USER MOD Single : B 625 THR OG1 : rot 91:sc= 1.23 USER MOD Single : B 627 GLN : amide:sc= -0.0742 K(o=-0.074,f=-2.7!) 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= 0.0609 X(o=0.061,f=0) USER MOD Single : B 651 THR OG1 : rot 180:sc= 0 USER MOD Single : B 652 TYR OH : rot 180:sc= 0 USER MOD Single : B 653 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 656 GLN : amide:sc= 0 X(o=0,f=-0.069) USER MOD Single : B 658 GLN : amide:sc= -0.826 K(o=-0.83,f=-4.9!) USER MOD Single : B 660 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 661 GLN : amide:sc= -0.0466 K(o=-0.047,f=-1) USER MOD Single : B 670 TYR OH : rot 180:sc= 0 USER MOD Single : B 671 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 673 MET CE :methyl -153:sc= -0.086 (180deg=-0.718) USER MOD ----------------------------------------------------------------- ATOM 222 N ALA A 17 -6.650 -16.942 6.879 1.00 0.00 N ATOM 223 CA ALA A 17 -5.551 -16.148 7.415 1.00 0.00 C ATOM 224 C ALA A 17 -5.177 -15.015 6.464 1.00 0.00 C ATOM 225 O ALA A 17 -4.697 -13.965 6.892 1.00 0.00 O ATOM 226 CB ALA A 17 -4.343 -17.033 7.685 1.00 0.00 C ATOM 0 HA ALA A 17 -5.880 -15.705 8.355 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.530 -16.427 8.085 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -4.611 -17.803 8.408 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.022 -17.503 6.756 1.00 0.00 H new ATOM 232 N PHE A 18 -5.401 -15.235 5.173 1.00 0.00 N ATOM 233 CA PHE A 18 -5.087 -14.233 4.162 1.00 0.00 C ATOM 234 C PHE A 18 -6.107 -13.098 4.185 1.00 0.00 C ATOM 235 O PHE A 18 -5.743 -11.924 4.255 1.00 0.00 O ATOM 236 CB PHE A 18 -5.052 -14.874 2.772 1.00 0.00 C ATOM 237 CG PHE A 18 -4.323 -14.048 1.751 1.00 0.00 C ATOM 238 CD1 PHE A 18 -4.982 -13.055 1.045 1.00 0.00 C ATOM 239 CD2 PHE A 18 -2.979 -14.266 1.495 1.00 0.00 C ATOM 240 CE1 PHE A 18 -4.314 -12.294 0.104 1.00 0.00 C ATOM 241 CE2 PHE A 18 -2.306 -13.509 0.556 1.00 0.00 C ATOM 242 CZ PHE A 18 -2.974 -12.522 -0.142 1.00 0.00 C ATOM 0 H PHE A 18 -5.799 -16.098 4.802 1.00 0.00 H new ATOM 0 HA PHE A 18 -4.104 -13.819 4.389 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.577 -15.852 2.843 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -6.074 -15.040 2.431 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -6.030 -12.873 1.232 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.451 -15.037 2.036 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -4.839 -11.522 -0.438 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.258 -13.689 0.368 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.450 -11.930 -0.878 1.00 0.00 H new ATOM 251 N ALA A 19 -7.385 -13.457 4.126 1.00 0.00 N ATOM 252 CA ALA A 19 -8.457 -12.470 4.140 1.00 0.00 C ATOM 253 C ALA A 19 -8.397 -11.613 5.401 1.00 0.00 C ATOM 254 O ALA A 19 -8.717 -10.426 5.371 1.00 0.00 O ATOM 255 CB ALA A 19 -9.810 -13.159 4.033 1.00 0.00 C ATOM 0 H ALA A 19 -7.703 -14.424 4.068 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.326 -11.815 3.279 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -10.602 -12.410 4.045 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -9.858 -13.723 3.102 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -9.940 -13.838 4.876 1.00 0.00 H new ATOM 261 N ALA A 20 -7.983 -12.223 6.507 1.00 0.00 N ATOM 262 CA ALA A 20 -7.878 -11.516 7.777 1.00 0.00 C ATOM 263 C ALA A 20 -7.004 -10.273 7.643 1.00 0.00 C ATOM 264 O ALA A 20 -7.280 -9.238 8.249 1.00 0.00 O ATOM 265 CB ALA A 20 -7.327 -12.439 8.852 1.00 0.00 C ATOM 0 H ALA A 20 -7.715 -13.206 6.549 1.00 0.00 H new ATOM 0 HA ALA A 20 -8.878 -11.195 8.069 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.254 -11.897 9.795 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.993 -13.293 8.975 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.338 -12.790 8.558 1.00 0.00 H new ATOM 271 N LYS A 21 -5.947 -10.384 6.845 1.00 0.00 N ATOM 272 CA LYS A 21 -5.030 -9.270 6.631 1.00 0.00 C ATOM 273 C LYS A 21 -5.634 -8.244 5.677 1.00 0.00 C ATOM 274 O LYS A 21 -5.418 -7.042 5.826 1.00 0.00 O ATOM 275 CB LYS A 21 -3.698 -9.779 6.074 1.00 0.00 C ATOM 276 CG LYS A 21 -3.040 -10.837 6.942 1.00 0.00 C ATOM 277 CD LYS A 21 -1.685 -10.376 7.451 1.00 0.00 C ATOM 278 CE LYS A 21 -1.818 -9.541 8.715 1.00 0.00 C ATOM 279 NZ LYS A 21 -0.928 -10.035 9.803 1.00 0.00 N ATOM 0 H LYS A 21 -5.704 -11.234 6.336 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.854 -8.787 7.592 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -3.864 -10.190 5.078 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.015 -8.937 5.962 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -3.687 -11.070 7.787 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.921 -11.757 6.369 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.056 -11.244 7.651 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.185 -9.792 6.679 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.576 -8.502 8.491 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.853 -9.560 9.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.959 -9.373 10.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.251 -10.973 10.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.047 -10.105 9.449 1.00 0.00 H new ATOM 289 N ALA A 22 -6.392 -8.728 4.699 1.00 0.00 N ATOM 290 CA ALA A 22 -7.031 -7.853 3.722 1.00 0.00 C ATOM 291 C ALA A 22 -7.867 -6.780 4.412 1.00 0.00 C ATOM 292 O ALA A 22 -7.753 -5.595 4.100 1.00 0.00 O ATOM 293 CB ALA A 22 -7.893 -8.666 2.769 1.00 0.00 C ATOM 0 H ALA A 22 -6.579 -9.721 4.562 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.249 -7.355 3.149 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -8.363 -8.000 2.046 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.271 -9.391 2.244 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.664 -9.191 3.333 1.00 0.00 H new ATOM 299 N GLY A 23 -8.709 -7.204 5.350 1.00 0.00 N ATOM 300 CA GLY A 23 -9.554 -6.267 6.067 1.00 0.00 C ATOM 301 C GLY A 23 -8.751 -5.258 6.865 1.00 0.00 C ATOM 302 O GLY A 23 -9.127 -4.088 6.956 1.00 0.00 O ATOM 0 H GLY A 23 -8.821 -8.180 5.626 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.191 -5.740 5.357 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.212 -6.817 6.739 1.00 0.00 H new ATOM 306 N LEU A 24 -7.646 -5.710 7.446 1.00 0.00 N ATOM 307 CA LEU A 24 -6.789 -4.839 8.243 1.00 0.00 C ATOM 308 C LEU A 24 -6.248 -3.689 7.400 1.00 0.00 C ATOM 309 O LEU A 24 -6.110 -2.564 7.881 1.00 0.00 O ATOM 310 CB LEU A 24 -5.631 -5.638 8.842 1.00 0.00 C ATOM 311 CG LEU A 24 -5.754 -5.993 10.324 1.00 0.00 C ATOM 312 CD1 LEU A 24 -5.605 -4.749 11.185 1.00 0.00 C ATOM 313 CD2 LEU A 24 -7.085 -6.677 10.599 1.00 0.00 C ATOM 0 H LEU A 24 -7.322 -6.675 7.380 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.389 -4.421 9.052 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.523 -6.563 8.276 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.712 -5.069 8.701 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.952 -6.685 10.580 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.695 -5.021 12.237 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.628 -4.300 11.009 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.385 -4.033 10.927 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.156 -6.923 11.659 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -7.901 -6.008 10.326 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.153 -7.591 10.009 1.00 0.00 H new ATOM 324 N MET A 25 -5.943 -3.979 6.140 1.00 0.00 N ATOM 325 CA MET A 25 -5.420 -2.968 5.228 1.00 0.00 C ATOM 326 C MET A 25 -6.412 -1.822 5.059 1.00 0.00 C ATOM 327 O MET A 25 -6.092 -0.666 5.336 1.00 0.00 O ATOM 328 CB MET A 25 -5.106 -3.592 3.867 1.00 0.00 C ATOM 329 CG MET A 25 -4.631 -2.584 2.832 1.00 0.00 C ATOM 330 SD MET A 25 -2.929 -2.876 2.310 1.00 0.00 S ATOM 331 CE MET A 25 -2.083 -2.855 3.887 1.00 0.00 C ATOM 0 H MET A 25 -6.049 -4.906 5.727 1.00 0.00 H new ATOM 0 HA MET A 25 -4.501 -2.568 5.657 1.00 0.00 H new ATOM 0 HB2 MET A 25 -4.340 -4.357 3.995 1.00 0.00 H new ATOM 0 HB3 MET A 25 -5.998 -4.093 3.492 1.00 0.00 H new ATOM 0 HG2 MET A 25 -5.286 -2.626 1.962 1.00 0.00 H new ATOM 0 HG3 MET A 25 -4.713 -1.579 3.245 1.00 0.00 H new ATOM 0 HE1 MET A 25 -1.401 -2.005 3.923 1.00 0.00 H new ATOM 0 HE2 MET A 25 -2.814 -2.768 4.691 1.00 0.00 H new ATOM 0 HE3 MET A 25 -1.518 -3.779 4.009 1.00 0.00 H new ATOM 339 N ARG A 26 -7.616 -2.150 4.604 1.00 0.00 N ATOM 340 CA ARG A 26 -8.654 -1.147 4.397 1.00 0.00 C ATOM 341 C ARG A 26 -8.885 -0.335 5.668 1.00 0.00 C ATOM 342 O ARG A 26 -9.306 0.821 5.610 1.00 0.00 O ATOM 343 CB ARG A 26 -9.960 -1.816 3.962 1.00 0.00 C ATOM 344 CG ARG A 26 -9.878 -2.478 2.597 1.00 0.00 C ATOM 345 CD ARG A 26 -11.255 -2.631 1.968 1.00 0.00 C ATOM 346 NE ARG A 26 -11.872 -1.338 1.684 1.00 0.00 N ATOM 347 CZ ARG A 26 -12.987 -1.196 0.976 1.00 0.00 C ATOM 348 NH1 ARG A 26 -13.602 -2.261 0.482 1.00 0.00 N ATOM 349 NH2 ARG A 26 -13.487 0.014 0.759 1.00 0.00 N ATOM 0 H ARG A 26 -7.897 -3.102 4.371 1.00 0.00 H new ATOM 0 HA ARG A 26 -8.320 -0.471 3.610 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -10.240 -2.564 4.703 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -10.754 -1.069 3.947 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -9.241 -1.884 1.941 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -9.410 -3.458 2.694 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -11.170 -3.203 1.044 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -11.899 -3.201 2.638 1.00 0.00 H new ATOM 0 HE ARG A 26 -11.422 -0.498 2.049 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -13.219 -3.192 0.645 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -14.458 -2.149 -0.061 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -13.015 0.836 1.136 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -14.343 0.122 0.215 1.00 0.00 H new ATOM 360 N HIS A 27 -8.609 -0.947 6.815 1.00 0.00 N ATOM 361 CA HIS A 27 -8.787 -0.281 8.100 1.00 0.00 C ATOM 362 C HIS A 27 -7.762 0.834 8.280 1.00 0.00 C ATOM 363 O HIS A 27 -8.094 1.931 8.733 1.00 0.00 O ATOM 364 CB HIS A 27 -8.667 -1.290 9.243 1.00 0.00 C ATOM 365 CG HIS A 27 -9.068 -0.736 10.576 1.00 0.00 C ATOM 366 ND1 HIS A 27 -9.793 0.427 10.720 1.00 0.00 N ATOM 367 CD2 HIS A 27 -8.843 -1.195 11.829 1.00 0.00 C ATOM 368 CE1 HIS A 27 -9.996 0.662 12.004 1.00 0.00 C ATOM 369 NE2 HIS A 27 -9.429 -0.309 12.699 1.00 0.00 N ATOM 0 H HIS A 27 -8.261 -1.904 6.881 1.00 0.00 H new ATOM 0 HA HIS A 27 -9.784 0.159 8.118 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -9.288 -2.157 9.018 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -7.637 -1.641 9.300 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -8.303 -2.092 12.095 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -10.533 1.504 12.416 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -9.427 -0.387 13.716 1.00 0.00 H new ATOM 376 N THR A 28 -6.514 0.548 7.924 1.00 0.00 N ATOM 377 CA THR A 28 -5.441 1.526 8.048 1.00 0.00 C ATOM 378 C THR A 28 -5.719 2.760 7.198 1.00 0.00 C ATOM 379 O THR A 28 -5.597 3.891 7.669 1.00 0.00 O ATOM 380 CB THR A 28 -4.083 0.926 7.633 1.00 0.00 C ATOM 381 OG1 THR A 28 -3.956 -0.403 8.151 1.00 0.00 O ATOM 382 CG2 THR A 28 -2.934 1.785 8.138 1.00 0.00 C ATOM 0 H THR A 28 -6.221 -0.354 7.547 1.00 0.00 H new ATOM 0 HA THR A 28 -5.397 1.815 9.098 1.00 0.00 H new ATOM 0 HB THR A 28 -4.041 0.897 6.544 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.692 -0.363 9.094 1.00 0.00 H new ATOM 0 HG21 THR A 28 -1.986 1.341 7.833 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.017 2.787 7.718 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.974 1.843 9.226 1.00 0.00 H new ATOM 390 N ILE A 29 -6.096 2.535 5.944 1.00 0.00 N ATOM 391 CA ILE A 29 -6.394 3.630 5.029 1.00 0.00 C ATOM 392 C ILE A 29 -7.706 4.314 5.399 1.00 0.00 C ATOM 393 O ILE A 29 -7.781 5.540 5.463 1.00 0.00 O ATOM 394 CB ILE A 29 -6.479 3.139 3.572 1.00 0.00 C ATOM 395 CG1 ILE A 29 -5.115 2.627 3.102 1.00 0.00 C ATOM 396 CG2 ILE A 29 -6.973 4.255 2.664 1.00 0.00 C ATOM 397 CD1 ILE A 29 -4.833 1.198 3.509 1.00 0.00 C ATOM 0 H ILE A 29 -6.202 1.605 5.539 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.576 4.345 5.116 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.192 2.316 3.524 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.062 2.704 2.016 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.335 3.272 3.506 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -7.027 3.892 1.638 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -7.963 4.577 2.988 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.283 5.097 2.715 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -3.850 0.902 3.142 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.854 1.118 4.596 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.592 0.542 3.083 1.00 0.00 H new ATOM 408 N GLY A 30 -8.737 3.513 5.645 1.00 0.00 N ATOM 409 CA GLY A 30 -10.032 4.059 6.009 1.00 0.00 C ATOM 410 C GLY A 30 -9.955 4.982 7.209 1.00 0.00 C ATOM 411 O GLY A 30 -10.523 6.074 7.195 1.00 0.00 O ATOM 0 H GLY A 30 -8.699 2.495 5.599 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.444 4.605 5.160 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -10.719 3.242 6.227 1.00 0.00 H new ATOM 415 N GLN A 31 -9.253 4.541 8.248 1.00 0.00 N ATOM 416 CA GLN A 31 -9.108 5.337 9.462 1.00 0.00 C ATOM 417 C GLN A 31 -8.164 6.513 9.232 1.00 0.00 C ATOM 418 O GLN A 31 -8.437 7.632 9.663 1.00 0.00 O ATOM 419 CB GLN A 31 -8.586 4.466 10.607 1.00 0.00 C ATOM 420 CG GLN A 31 -9.688 3.788 11.405 1.00 0.00 C ATOM 421 CD GLN A 31 -10.601 4.781 12.099 1.00 0.00 C ATOM 422 OE1 GLN A 31 -10.149 5.612 12.888 1.00 0.00 O ATOM 423 NE2 GLN A 31 -11.894 4.701 11.809 1.00 0.00 N ATOM 0 H GLN A 31 -8.777 3.639 8.274 1.00 0.00 H new ATOM 0 HA GLN A 31 -10.089 5.729 9.730 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -7.922 3.704 10.199 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.989 5.083 11.279 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -10.280 3.160 10.739 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.240 3.130 12.150 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -12.226 3.997 11.150 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -12.555 5.343 12.246 1.00 0.00 H new ATOM 430 N ALA A 32 -7.055 6.250 8.550 1.00 0.00 N ATOM 431 CA ALA A 32 -6.071 7.288 8.262 1.00 0.00 C ATOM 432 C ALA A 32 -6.687 8.414 7.440 1.00 0.00 C ATOM 433 O ALA A 32 -6.332 9.581 7.604 1.00 0.00 O ATOM 434 CB ALA A 32 -4.874 6.694 7.534 1.00 0.00 C ATOM 0 H ALA A 32 -6.815 5.328 8.186 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.734 7.707 9.210 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.148 7.480 7.326 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.412 5.929 8.158 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.204 6.247 6.596 1.00 0.00 H new ATOM 440 N GLU A 33 -7.612 8.056 6.553 1.00 0.00 N ATOM 441 CA GLU A 33 -8.275 9.039 5.704 1.00 0.00 C ATOM 442 C GLU A 33 -9.181 9.948 6.529 1.00 0.00 C ATOM 443 O GLU A 33 -9.104 11.172 6.430 1.00 0.00 O ATOM 444 CB GLU A 33 -9.092 8.337 4.618 1.00 0.00 C ATOM 445 CG GLU A 33 -9.348 9.201 3.395 1.00 0.00 C ATOM 446 CD GLU A 33 -9.784 8.392 2.189 1.00 0.00 C ATOM 447 OE1 GLU A 33 -10.987 8.066 2.097 1.00 0.00 O ATOM 448 OE2 GLU A 33 -8.925 8.086 1.337 1.00 0.00 O ATOM 0 H GLU A 33 -7.918 7.094 6.404 1.00 0.00 H new ATOM 0 HA GLU A 33 -7.507 9.652 5.233 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -8.569 7.432 4.310 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -10.048 8.025 5.039 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -10.116 9.938 3.630 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.441 9.753 3.149 1.00 0.00 H new ATOM 658 N PHE A 51 -2.877 20.434 -0.488 1.00 0.00 N ATOM 659 CA PHE A 51 -3.520 19.286 0.143 1.00 0.00 C ATOM 660 C PHE A 51 -4.211 18.409 -0.897 1.00 0.00 C ATOM 661 O PHE A 51 -4.252 17.186 -0.763 1.00 0.00 O ATOM 662 CB PHE A 51 -4.534 19.754 1.188 1.00 0.00 C ATOM 663 CG PHE A 51 -5.375 18.641 1.747 1.00 0.00 C ATOM 664 CD1 PHE A 51 -6.561 18.275 1.132 1.00 0.00 C ATOM 665 CD2 PHE A 51 -4.979 17.961 2.888 1.00 0.00 C ATOM 666 CE1 PHE A 51 -7.337 17.253 1.644 1.00 0.00 C ATOM 667 CE2 PHE A 51 -5.750 16.937 3.405 1.00 0.00 C ATOM 668 CZ PHE A 51 -6.930 16.582 2.781 1.00 0.00 C ATOM 0 HA PHE A 51 -2.748 18.694 0.635 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.003 20.243 2.005 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.187 20.502 0.739 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -6.883 18.795 0.242 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -4.057 18.235 3.379 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -8.261 16.979 1.156 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -5.430 16.415 4.295 1.00 0.00 H new ATOM 0 HZ PHE A 51 -7.534 15.781 3.181 1.00 0.00 H new ATOM 677 N GLN A 52 -4.752 19.044 -1.932 1.00 0.00 N ATOM 678 CA GLN A 52 -5.442 18.322 -2.994 1.00 0.00 C ATOM 679 C GLN A 52 -4.497 17.353 -3.698 1.00 0.00 C ATOM 680 O GLN A 52 -4.783 16.161 -3.805 1.00 0.00 O ATOM 681 CB GLN A 52 -6.032 19.304 -4.008 1.00 0.00 C ATOM 682 CG GLN A 52 -6.543 18.638 -5.274 1.00 0.00 C ATOM 683 CD GLN A 52 -7.952 19.067 -5.632 1.00 0.00 C ATOM 684 OE1 GLN A 52 -8.420 20.122 -5.203 1.00 0.00 O ATOM 685 NE2 GLN A 52 -8.638 18.250 -6.424 1.00 0.00 N ATOM 0 H GLN A 52 -4.726 20.056 -2.057 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.251 17.748 -2.541 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -6.851 19.850 -3.539 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -5.272 20.038 -4.275 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -5.874 18.876 -6.101 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -6.518 17.556 -5.146 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.212 17.385 -6.757 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -9.591 18.488 -6.699 1.00 0.00 H new ATOM 692 N ALA A 53 -3.371 17.874 -4.174 1.00 0.00 N ATOM 693 CA ALA A 53 -2.384 17.055 -4.866 1.00 0.00 C ATOM 694 C ALA A 53 -2.010 15.830 -4.039 1.00 0.00 C ATOM 695 O ALA A 53 -1.998 14.709 -4.544 1.00 0.00 O ATOM 696 CB ALA A 53 -1.145 17.878 -5.183 1.00 0.00 C ATOM 0 H ALA A 53 -3.120 18.859 -4.093 1.00 0.00 H new ATOM 0 HA ALA A 53 -2.826 16.709 -5.800 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.416 17.254 -5.700 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.420 18.719 -5.820 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.710 18.252 -4.256 1.00 0.00 H new ATOM 702 N ALA A 54 -1.705 16.053 -2.764 1.00 0.00 N ATOM 703 CA ALA A 54 -1.332 14.967 -1.866 1.00 0.00 C ATOM 704 C ALA A 54 -2.481 13.979 -1.693 1.00 0.00 C ATOM 705 O ALA A 54 -2.265 12.770 -1.611 1.00 0.00 O ATOM 706 CB ALA A 54 -0.903 15.522 -0.517 1.00 0.00 C ATOM 0 H ALA A 54 -1.709 16.976 -2.330 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.492 14.433 -2.310 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.627 14.700 0.144 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.047 16.183 -0.651 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.727 16.082 -0.075 1.00 0.00 H new ATOM 712 N HIS A 55 -3.701 14.502 -1.638 1.00 0.00 N ATOM 713 CA HIS A 55 -4.885 13.665 -1.474 1.00 0.00 C ATOM 714 C HIS A 55 -5.124 12.812 -2.716 1.00 0.00 C ATOM 715 O HIS A 55 -5.456 11.632 -2.616 1.00 0.00 O ATOM 716 CB HIS A 55 -6.112 14.531 -1.192 1.00 0.00 C ATOM 717 CG HIS A 55 -7.378 13.744 -1.036 1.00 0.00 C ATOM 718 ND1 HIS A 55 -8.030 13.598 0.169 1.00 0.00 N ATOM 719 CD2 HIS A 55 -8.111 13.060 -1.946 1.00 0.00 C ATOM 720 CE1 HIS A 55 -9.110 12.856 -0.004 1.00 0.00 C ATOM 721 NE2 HIS A 55 -9.183 12.517 -1.279 1.00 0.00 N ATOM 0 H HIS A 55 -3.896 15.501 -1.704 1.00 0.00 H new ATOM 0 HA HIS A 55 -4.716 13.001 -0.626 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -5.938 15.108 -0.284 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -6.236 15.246 -2.005 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -7.894 12.960 -2.999 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -9.813 12.575 0.766 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -9.916 11.945 -1.700 1.00 0.00 H new ATOM 728 N ALA A 56 -4.951 13.419 -3.886 1.00 0.00 N ATOM 729 CA ALA A 56 -5.147 12.714 -5.148 1.00 0.00 C ATOM 730 C ALA A 56 -4.037 11.697 -5.386 1.00 0.00 C ATOM 731 O ALA A 56 -4.255 10.663 -6.016 1.00 0.00 O ATOM 732 CB ALA A 56 -5.213 13.705 -6.300 1.00 0.00 C ATOM 0 H ALA A 56 -4.676 14.396 -3.986 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.092 12.174 -5.092 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.359 13.166 -7.236 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.045 14.391 -6.142 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.282 14.269 -6.348 1.00 0.00 H new ATOM 738 N ARG A 57 -2.845 11.998 -4.879 1.00 0.00 N ATOM 739 CA ARG A 57 -1.700 11.109 -5.039 1.00 0.00 C ATOM 740 C ARG A 57 -1.909 9.810 -4.267 1.00 0.00 C ATOM 741 O ARG A 57 -1.462 8.744 -4.693 1.00 0.00 O ATOM 742 CB ARG A 57 -0.422 11.800 -4.560 1.00 0.00 C ATOM 743 CG ARG A 57 0.239 12.662 -5.624 1.00 0.00 C ATOM 744 CD ARG A 57 1.602 13.160 -5.169 1.00 0.00 C ATOM 745 NE ARG A 57 2.688 12.327 -5.682 1.00 0.00 N ATOM 746 CZ ARG A 57 3.172 12.427 -6.915 1.00 0.00 C ATOM 747 NH1 ARG A 57 2.669 13.319 -7.757 1.00 0.00 N ATOM 748 NH2 ARG A 57 4.161 11.634 -7.307 1.00 0.00 N ATOM 0 H ARG A 57 -2.647 12.850 -4.354 1.00 0.00 H new ATOM 0 HA ARG A 57 -1.601 10.870 -6.098 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -0.657 12.421 -3.695 1.00 0.00 H new ATOM 0 HB3 ARG A 57 0.287 11.043 -4.226 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.349 12.087 -6.543 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -0.402 13.513 -5.855 1.00 0.00 H new ATOM 0 HD2 ARG A 57 1.743 14.187 -5.505 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.638 13.173 -4.080 1.00 0.00 H new ATOM 0 HE ARG A 57 3.097 11.631 -5.059 1.00 0.00 H new ATOM 0 HH11 ARG A 57 1.909 13.930 -7.458 1.00 0.00 H new ATOM 0 HH12 ARG A 57 3.042 13.394 -8.703 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.550 10.947 -6.661 1.00 0.00 H new ATOM 0 HH22 ARG A 57 4.532 11.711 -8.254 1.00 0.00 H new ATOM 759 N PHE A 58 -2.589 9.906 -3.130 1.00 0.00 N ATOM 760 CA PHE A 58 -2.856 8.738 -2.297 1.00 0.00 C ATOM 761 C PHE A 58 -3.874 7.817 -2.962 1.00 0.00 C ATOM 762 O PHE A 58 -3.619 6.628 -3.155 1.00 0.00 O ATOM 763 CB PHE A 58 -3.365 9.172 -0.921 1.00 0.00 C ATOM 764 CG PHE A 58 -3.691 8.021 -0.012 1.00 0.00 C ATOM 765 CD1 PHE A 58 -2.683 7.323 0.631 1.00 0.00 C ATOM 766 CD2 PHE A 58 -5.006 7.638 0.197 1.00 0.00 C ATOM 767 CE1 PHE A 58 -2.980 6.264 1.468 1.00 0.00 C ATOM 768 CE2 PHE A 58 -5.309 6.580 1.033 1.00 0.00 C ATOM 769 CZ PHE A 58 -4.294 5.892 1.668 1.00 0.00 C ATOM 0 H PHE A 58 -2.966 10.780 -2.764 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.922 8.189 -2.174 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.611 9.799 -0.445 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.256 9.787 -1.049 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.653 7.609 0.477 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -5.803 8.172 -0.299 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -2.185 5.728 1.965 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -6.338 6.292 1.189 1.00 0.00 H new ATOM 0 HZ PHE A 58 -4.528 5.064 2.320 1.00 0.00 H new ATOM 778 N VAL A 59 -5.030 8.374 -3.310 1.00 0.00 N ATOM 779 CA VAL A 59 -6.087 7.605 -3.954 1.00 0.00 C ATOM 780 C VAL A 59 -5.574 6.912 -5.211 1.00 0.00 C ATOM 781 O VAL A 59 -6.016 5.815 -5.551 1.00 0.00 O ATOM 782 CB VAL A 59 -7.285 8.499 -4.326 1.00 0.00 C ATOM 783 CG1 VAL A 59 -6.814 9.745 -5.060 1.00 0.00 C ATOM 784 CG2 VAL A 59 -8.288 7.722 -5.166 1.00 0.00 C ATOM 0 H VAL A 59 -5.258 9.356 -3.156 1.00 0.00 H new ATOM 0 HA VAL A 59 -6.414 6.853 -3.236 1.00 0.00 H new ATOM 0 HB VAL A 59 -7.781 8.814 -3.408 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -7.674 10.364 -5.315 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.137 10.310 -4.420 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.293 9.455 -5.972 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.128 8.368 -5.420 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -7.806 7.377 -6.081 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -8.649 6.864 -4.600 1.00 0.00 H new ATOM 794 N ALA A 60 -4.639 7.560 -5.898 1.00 0.00 N ATOM 795 CA ALA A 60 -4.065 7.005 -7.118 1.00 0.00 C ATOM 796 C ALA A 60 -3.339 5.693 -6.834 1.00 0.00 C ATOM 797 O ALA A 60 -3.480 4.723 -7.578 1.00 0.00 O ATOM 798 CB ALA A 60 -3.116 8.007 -7.757 1.00 0.00 C ATOM 0 H ALA A 60 -4.263 8.470 -5.631 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.879 6.798 -7.813 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.695 7.580 -8.667 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.661 8.919 -8.003 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.312 8.242 -7.060 1.00 0.00 H new ATOM 804 N ALA A 61 -2.562 5.673 -5.756 1.00 0.00 N ATOM 805 CA ALA A 61 -1.817 4.480 -5.375 1.00 0.00 C ATOM 806 C ALA A 61 -2.717 3.472 -4.670 1.00 0.00 C ATOM 807 O ALA A 61 -2.558 2.262 -4.834 1.00 0.00 O ATOM 808 CB ALA A 61 -0.641 4.855 -4.484 1.00 0.00 C ATOM 0 H ALA A 61 -2.432 6.469 -5.132 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.437 4.014 -6.284 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.093 3.955 -4.207 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.022 5.532 -5.023 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -1.009 5.347 -3.584 1.00 0.00 H new ATOM 814 N ALA A 62 -3.662 3.977 -3.884 1.00 0.00 N ATOM 815 CA ALA A 62 -4.588 3.120 -3.155 1.00 0.00 C ATOM 816 C ALA A 62 -5.269 2.127 -4.091 1.00 0.00 C ATOM 817 O ALA A 62 -5.516 0.979 -3.720 1.00 0.00 O ATOM 818 CB ALA A 62 -5.627 3.962 -2.429 1.00 0.00 C ATOM 0 H ALA A 62 -3.806 4.976 -3.736 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.017 2.553 -2.419 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.312 3.309 -1.889 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.128 4.627 -1.724 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.186 4.554 -3.153 1.00 0.00 H new ATOM 824 N ALA A 63 -5.572 2.576 -5.303 1.00 0.00 N ATOM 825 CA ALA A 63 -6.223 1.726 -6.292 1.00 0.00 C ATOM 826 C ALA A 63 -5.339 0.543 -6.669 1.00 0.00 C ATOM 827 O ALA A 63 -5.832 -0.529 -7.021 1.00 0.00 O ATOM 828 CB ALA A 63 -6.580 2.535 -7.531 1.00 0.00 C ATOM 0 H ALA A 63 -5.377 3.524 -5.625 1.00 0.00 H new ATOM 0 HA ALA A 63 -7.139 1.335 -5.849 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.065 1.887 -8.261 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -7.258 3.343 -7.255 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.673 2.955 -7.965 1.00 0.00 H new ATOM 834 N LYS A 64 -4.027 0.743 -6.593 1.00 0.00 N ATOM 835 CA LYS A 64 -3.071 -0.307 -6.925 1.00 0.00 C ATOM 836 C LYS A 64 -3.043 -1.379 -5.841 1.00 0.00 C ATOM 837 O LYS A 64 -3.190 -2.568 -6.126 1.00 0.00 O ATOM 838 CB LYS A 64 -1.673 0.288 -7.106 1.00 0.00 C ATOM 839 CG LYS A 64 -0.892 -0.331 -8.253 1.00 0.00 C ATOM 840 CD LYS A 64 -0.805 -1.842 -8.118 1.00 0.00 C ATOM 841 CE LYS A 64 -0.041 -2.462 -9.277 1.00 0.00 C ATOM 842 NZ LYS A 64 1.339 -1.913 -9.390 1.00 0.00 N ATOM 0 H LYS A 64 -3.601 1.624 -6.304 1.00 0.00 H new ATOM 0 HA LYS A 64 -3.386 -0.770 -7.860 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -1.763 1.361 -7.276 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.110 0.158 -6.182 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.370 -0.076 -9.199 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.113 0.091 -8.280 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -0.313 -2.097 -7.179 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -1.810 -2.263 -8.076 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.008 -3.543 -9.143 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.581 -2.281 -10.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.437 -1.403 -10.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 1.518 -1.260 -8.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.027 -2.693 -9.357 1.00 0.00 H new ATOM 852 N VAL A 65 -2.854 -0.952 -4.596 1.00 0.00 N ATOM 853 CA VAL A 65 -2.810 -1.876 -3.469 1.00 0.00 C ATOM 854 C VAL A 65 -4.140 -2.603 -3.302 1.00 0.00 C ATOM 855 O VAL A 65 -4.180 -3.751 -2.863 1.00 0.00 O ATOM 856 CB VAL A 65 -2.468 -1.145 -2.157 1.00 0.00 C ATOM 857 CG1 VAL A 65 -3.476 -0.037 -1.885 1.00 0.00 C ATOM 858 CG2 VAL A 65 -2.419 -2.127 -0.997 1.00 0.00 C ATOM 0 H VAL A 65 -2.729 0.028 -4.343 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.027 -2.603 -3.686 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.483 -0.691 -2.261 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.219 0.469 -0.954 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.458 0.681 -2.705 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.474 -0.466 -1.801 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.176 -1.593 -0.078 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.389 -2.612 -0.889 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -1.656 -2.881 -1.191 1.00 0.00 H new ATOM 868 N ASN A 66 -5.227 -1.925 -3.655 1.00 0.00 N ATOM 869 CA ASN A 66 -6.560 -2.507 -3.544 1.00 0.00 C ATOM 870 C ASN A 66 -6.774 -3.583 -4.604 1.00 0.00 C ATOM 871 O ASN A 66 -7.141 -4.716 -4.291 1.00 0.00 O ATOM 872 CB ASN A 66 -7.627 -1.419 -3.683 1.00 0.00 C ATOM 873 CG ASN A 66 -8.967 -1.976 -4.122 1.00 0.00 C ATOM 874 OD1 ASN A 66 -9.813 -2.315 -3.293 1.00 0.00 O ATOM 875 ND2 ASN A 66 -9.167 -2.073 -5.431 1.00 0.00 N ATOM 0 H ASN A 66 -5.211 -0.973 -4.020 1.00 0.00 H new ATOM 0 HA ASN A 66 -6.647 -2.969 -2.560 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -7.745 -0.906 -2.729 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -7.291 -0.675 -4.406 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -10.050 -2.440 -5.786 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -8.438 -1.780 -6.081 1.00 0.00 H new ATOM 881 N THR A 67 -6.542 -3.221 -5.863 1.00 0.00 N ATOM 882 CA THR A 67 -6.710 -4.154 -6.969 1.00 0.00 C ATOM 883 C THR A 67 -5.866 -5.407 -6.764 1.00 0.00 C ATOM 884 O THR A 67 -6.311 -6.520 -7.047 1.00 0.00 O ATOM 885 CB THR A 67 -6.327 -3.505 -8.313 1.00 0.00 C ATOM 886 OG1 THR A 67 -7.174 -2.381 -8.574 1.00 0.00 O ATOM 887 CG2 THR A 67 -6.442 -4.508 -9.450 1.00 0.00 C ATOM 0 H THR A 67 -6.237 -2.288 -6.141 1.00 0.00 H new ATOM 0 HA THR A 67 -7.764 -4.430 -6.994 1.00 0.00 H new ATOM 0 HB THR A 67 -5.292 -3.171 -8.248 1.00 0.00 H new ATOM 0 HG1 THR A 67 -6.841 -1.600 -8.085 1.00 0.00 H new ATOM 0 HG21 THR A 67 -6.167 -4.027 -10.389 1.00 0.00 H new ATOM 0 HG22 THR A 67 -5.773 -5.348 -9.263 1.00 0.00 H new ATOM 0 HG23 THR A 67 -7.469 -4.869 -9.515 1.00 0.00 H new ATOM 895 N LEU A 68 -4.648 -5.220 -6.272 1.00 0.00 N ATOM 896 CA LEU A 68 -3.741 -6.337 -6.027 1.00 0.00 C ATOM 897 C LEU A 68 -4.257 -7.220 -4.897 1.00 0.00 C ATOM 898 O LEU A 68 -3.959 -8.414 -4.840 1.00 0.00 O ATOM 899 CB LEU A 68 -2.342 -5.819 -5.688 1.00 0.00 C ATOM 900 CG LEU A 68 -1.552 -5.209 -6.846 1.00 0.00 C ATOM 901 CD1 LEU A 68 -0.291 -4.533 -6.335 1.00 0.00 C ATOM 902 CD2 LEU A 68 -1.209 -6.275 -7.877 1.00 0.00 C ATOM 0 H LEU A 68 -4.264 -4.305 -6.034 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.689 -6.937 -6.936 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.435 -5.068 -4.903 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.762 -6.644 -5.274 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.174 -4.454 -7.327 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.258 -4.105 -7.174 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.560 -3.741 -5.636 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.336 -5.267 -5.828 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.647 -5.823 -8.694 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.607 -7.053 -7.409 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.128 -6.713 -8.267 1.00 0.00 H new ATOM 913 N LEU A 69 -5.035 -6.627 -3.997 1.00 0.00 N ATOM 914 CA LEU A 69 -5.596 -7.359 -2.868 1.00 0.00 C ATOM 915 C LEU A 69 -6.681 -8.328 -3.331 1.00 0.00 C ATOM 916 O LEU A 69 -6.891 -9.377 -2.722 1.00 0.00 O ATOM 917 CB LEU A 69 -6.171 -6.386 -1.837 1.00 0.00 C ATOM 918 CG LEU A 69 -5.423 -6.299 -0.506 1.00 0.00 C ATOM 919 CD1 LEU A 69 -6.117 -5.325 0.433 1.00 0.00 C ATOM 920 CD2 LEU A 69 -5.314 -7.675 0.134 1.00 0.00 C ATOM 0 H LEU A 69 -5.291 -5.640 -4.028 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.794 -7.935 -2.406 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.198 -5.391 -2.281 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.203 -6.672 -1.633 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.416 -5.929 -0.699 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.571 -5.276 1.375 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.143 -4.335 -0.023 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.136 -5.664 0.621 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.779 -7.595 1.080 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.313 -8.073 0.314 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.772 -8.345 -0.534 1.00 0.00 H new ATOM 931 N ASP A 70 -7.364 -7.967 -4.411 1.00 0.00 N ATOM 932 CA ASP A 70 -8.426 -8.804 -4.959 1.00 0.00 C ATOM 933 C ASP A 70 -7.843 -9.976 -5.742 1.00 0.00 C ATOM 934 O ASP A 70 -8.205 -11.131 -5.513 1.00 0.00 O ATOM 935 CB ASP A 70 -9.343 -7.977 -5.861 1.00 0.00 C ATOM 936 CG ASP A 70 -10.782 -8.454 -5.815 1.00 0.00 C ATOM 937 OD1 ASP A 70 -11.450 -8.225 -4.786 1.00 0.00 O ATOM 938 OD2 ASP A 70 -11.240 -9.057 -6.810 1.00 0.00 O ATOM 0 H ASP A 70 -7.202 -7.101 -4.925 1.00 0.00 H new ATOM 0 HA ASP A 70 -9.009 -9.200 -4.128 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -9.300 -6.931 -5.557 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -8.979 -8.026 -6.887 1.00 0.00 H new ATOM 942 N VAL A 71 -6.940 -9.672 -6.668 1.00 0.00 N ATOM 943 CA VAL A 71 -6.307 -10.700 -7.486 1.00 0.00 C ATOM 944 C VAL A 71 -5.582 -11.723 -6.619 1.00 0.00 C ATOM 945 O VAL A 71 -5.511 -12.904 -6.962 1.00 0.00 O ATOM 946 CB VAL A 71 -5.306 -10.087 -8.483 1.00 0.00 C ATOM 947 CG1 VAL A 71 -6.021 -9.170 -9.462 1.00 0.00 C ATOM 948 CG2 VAL A 71 -4.208 -9.337 -7.742 1.00 0.00 C ATOM 0 H VAL A 71 -6.630 -8.722 -6.871 1.00 0.00 H new ATOM 0 HA VAL A 71 -7.103 -11.197 -8.041 1.00 0.00 H new ATOM 0 HB VAL A 71 -4.844 -10.895 -9.050 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -5.297 -8.746 -10.158 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -6.767 -9.740 -10.016 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -6.512 -8.365 -8.915 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -3.509 -8.910 -8.462 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -4.651 -8.537 -7.148 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.677 -10.026 -7.085 1.00 0.00 H new ATOM 958 N ALA A 72 -5.045 -11.263 -5.494 1.00 0.00 N ATOM 959 CA ALA A 72 -4.328 -12.138 -4.575 1.00 0.00 C ATOM 960 C ALA A 72 -5.237 -13.243 -4.047 1.00 0.00 C ATOM 961 O ALA A 72 -4.883 -14.421 -4.084 1.00 0.00 O ATOM 962 CB ALA A 72 -3.747 -11.333 -3.423 1.00 0.00 C ATOM 0 H ALA A 72 -5.093 -10.288 -5.197 1.00 0.00 H new ATOM 0 HA ALA A 72 -3.511 -12.607 -5.123 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.215 -12.000 -2.745 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.056 -10.585 -3.813 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.553 -10.836 -2.884 1.00 0.00 H new ATOM 968 N GLN A 73 -6.409 -12.855 -3.555 1.00 0.00 N ATOM 969 CA GLN A 73 -7.368 -13.813 -3.018 1.00 0.00 C ATOM 970 C GLN A 73 -8.000 -14.635 -4.136 1.00 0.00 C ATOM 971 O GLN A 73 -8.310 -15.811 -3.955 1.00 0.00 O ATOM 972 CB GLN A 73 -8.454 -13.087 -2.223 1.00 0.00 C ATOM 973 CG GLN A 73 -7.907 -12.114 -1.191 1.00 0.00 C ATOM 974 CD GLN A 73 -8.985 -11.236 -0.587 1.00 0.00 C ATOM 975 OE1 GLN A 73 -9.397 -10.240 -1.184 1.00 0.00 O ATOM 976 NE2 GLN A 73 -9.449 -11.600 0.602 1.00 0.00 N ATOM 0 H GLN A 73 -6.717 -11.883 -3.517 1.00 0.00 H new ATOM 0 HA GLN A 73 -6.834 -14.491 -2.353 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -9.098 -12.545 -2.915 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -9.078 -13.825 -1.719 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -7.412 -12.673 -0.397 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -7.150 -11.484 -1.657 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -9.079 -12.433 1.061 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -10.175 -11.047 1.057 1.00 0.00 H new ATOM 983 N ALA A 74 -8.190 -14.005 -5.291 1.00 0.00 N ATOM 984 CA ALA A 74 -8.785 -14.679 -6.439 1.00 0.00 C ATOM 985 C ALA A 74 -7.832 -15.716 -7.021 1.00 0.00 C ATOM 986 O ALA A 74 -8.262 -16.733 -7.565 1.00 0.00 O ATOM 987 CB ALA A 74 -9.178 -13.663 -7.502 1.00 0.00 C ATOM 0 H ALA A 74 -7.941 -13.030 -5.456 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.681 -15.198 -6.100 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.621 -14.180 -8.353 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.902 -12.963 -7.086 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.293 -13.118 -7.829 1.00 0.00 H new ATOM 993 N ASN A 75 -6.535 -15.452 -6.905 1.00 0.00 N ATOM 994 CA ASN A 75 -5.519 -16.363 -7.422 1.00 0.00 C ATOM 995 C ASN A 75 -5.277 -17.514 -6.450 1.00 0.00 C ATOM 996 O ASN A 75 -5.167 -18.672 -6.858 1.00 0.00 O ATOM 997 CB ASN A 75 -4.212 -15.612 -7.677 1.00 0.00 C ATOM 998 CG ASN A 75 -4.105 -15.102 -9.101 1.00 0.00 C ATOM 999 OD1 ASN A 75 -3.450 -15.716 -9.944 1.00 0.00 O ATOM 1000 ND2 ASN A 75 -4.751 -13.975 -9.376 1.00 0.00 N ATOM 0 H ASN A 75 -6.162 -14.615 -6.458 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.881 -16.775 -8.364 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -4.139 -14.772 -6.987 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -3.370 -16.272 -7.466 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -4.717 -13.584 -10.318 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -5.282 -13.500 -8.646 1.00 0.00 H new ATOM 1006 N LEU A 76 -5.195 -17.189 -5.165 1.00 0.00 N ATOM 1007 CA LEU A 76 -4.966 -18.196 -4.134 1.00 0.00 C ATOM 1008 C LEU A 76 -6.235 -18.998 -3.866 1.00 0.00 C ATOM 1009 O LEU A 76 -6.174 -20.142 -3.415 1.00 0.00 O ATOM 1010 CB LEU A 76 -4.486 -17.531 -2.842 1.00 0.00 C ATOM 1011 CG LEU A 76 -3.188 -16.730 -2.943 1.00 0.00 C ATOM 1012 CD1 LEU A 76 -2.952 -15.936 -1.667 1.00 0.00 C ATOM 1013 CD2 LEU A 76 -2.012 -17.651 -3.226 1.00 0.00 C ATOM 0 H LEU A 76 -5.284 -16.236 -4.812 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.195 -18.879 -4.492 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.273 -16.867 -2.485 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.354 -18.305 -2.086 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.280 -16.029 -3.772 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.024 -15.372 -1.756 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.782 -15.247 -1.508 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -2.881 -16.620 -0.821 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.097 -17.062 -3.294 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.917 -18.378 -2.419 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.178 -18.174 -4.168 1.00 0.00 H new ATOM 1024 N GLY A 77 -7.384 -18.392 -4.149 1.00 0.00 N ATOM 1025 CA GLY A 77 -8.650 -19.066 -3.933 1.00 0.00 C ATOM 1026 C GLY A 77 -9.042 -19.113 -2.470 1.00 0.00 C ATOM 1027 O GLY A 77 -9.969 -18.423 -2.047 1.00 0.00 O ATOM 0 H GLY A 77 -7.460 -17.446 -4.524 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.430 -18.556 -4.498 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -8.587 -20.082 -4.322 1.00 0.00 H new ATOM 1031 N GLU A 78 -8.333 -19.928 -1.694 1.00 0.00 N ATOM 1032 CA GLU A 78 -8.614 -20.062 -0.270 1.00 0.00 C ATOM 1033 C GLU A 78 -8.648 -18.697 0.409 1.00 0.00 C ATOM 1034 O GLU A 78 -9.475 -18.448 1.286 1.00 0.00 O ATOM 1035 CB GLU A 78 -7.562 -20.950 0.398 1.00 0.00 C ATOM 1036 CG GLU A 78 -8.108 -21.782 1.547 1.00 0.00 C ATOM 1037 CD GLU A 78 -7.138 -22.853 2.005 1.00 0.00 C ATOM 1038 OE1 GLU A 78 -6.675 -23.639 1.153 1.00 0.00 O ATOM 1039 OE2 GLU A 78 -6.841 -22.904 3.217 1.00 0.00 O ATOM 0 H GLU A 78 -7.561 -20.505 -2.028 1.00 0.00 H new ATOM 0 HA GLU A 78 -9.594 -20.527 -0.161 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -7.133 -21.616 -0.350 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -6.751 -20.323 0.768 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -8.342 -21.127 2.386 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -9.042 -22.251 1.239 1.00 0.00 H new ATOM 1044 N ALA A 79 -7.743 -17.815 -0.003 1.00 0.00 N ATOM 1045 CA ALA A 79 -7.669 -16.474 0.564 1.00 0.00 C ATOM 1046 C ALA A 79 -8.989 -15.731 0.387 1.00 0.00 C ATOM 1047 O ALA A 79 -9.353 -14.890 1.209 1.00 0.00 O ATOM 1048 CB ALA A 79 -6.532 -15.692 -0.076 1.00 0.00 C ATOM 0 H ALA A 79 -7.051 -18.005 -0.728 1.00 0.00 H new ATOM 0 HA ALA A 79 -7.474 -16.568 1.632 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -6.489 -14.693 0.357 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.589 -16.207 0.105 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -6.703 -15.615 -1.150 1.00 0.00 H new ATOM 1533 N ALA B 620 2.308 11.869 9.711 1.00 0.00 N ATOM 1534 CA ALA B 620 3.202 10.982 8.978 1.00 0.00 C ATOM 1535 C ALA B 620 3.436 9.683 9.743 1.00 0.00 C ATOM 1536 O ALA B 620 3.646 8.628 9.147 1.00 0.00 O ATOM 1537 CB ALA B 620 4.524 11.677 8.697 1.00 0.00 C ATOM 0 HA ALA B 620 2.727 10.734 8.029 1.00 0.00 H new ATOM 0 HB1 ALA B 620 5.181 11.002 8.149 1.00 0.00 H new ATOM 0 HB2 ALA B 620 4.345 12.572 8.101 1.00 0.00 H new ATOM 0 HB3 ALA B 620 4.996 11.957 9.639 1.00 0.00 H new ATOM 1543 N GLY B 621 3.401 9.770 11.070 1.00 0.00 N ATOM 1544 CA GLY B 621 3.612 8.596 11.895 1.00 0.00 C ATOM 1545 C GLY B 621 2.658 7.468 11.555 1.00 0.00 C ATOM 1546 O GLY B 621 3.006 6.293 11.677 1.00 0.00 O ATOM 0 H GLY B 621 3.230 10.632 11.587 1.00 0.00 H new ATOM 0 HA2 GLY B 621 4.638 8.249 11.772 1.00 0.00 H new ATOM 0 HA3 GLY B 621 3.491 8.866 12.944 1.00 0.00 H new ATOM 1550 N TYR B 622 1.452 7.825 11.129 1.00 0.00 N ATOM 1551 CA TYR B 622 0.443 6.833 10.775 1.00 0.00 C ATOM 1552 C TYR B 622 0.796 6.142 9.461 1.00 0.00 C ATOM 1553 O TYR B 622 0.508 4.962 9.271 1.00 0.00 O ATOM 1554 CB TYR B 622 -0.933 7.493 10.662 1.00 0.00 C ATOM 1555 CG TYR B 622 -1.844 7.194 11.832 1.00 0.00 C ATOM 1556 CD1 TYR B 622 -2.664 6.073 11.831 1.00 0.00 C ATOM 1557 CD2 TYR B 622 -1.885 8.034 12.938 1.00 0.00 C ATOM 1558 CE1 TYR B 622 -3.498 5.797 12.897 1.00 0.00 C ATOM 1559 CE2 TYR B 622 -2.715 7.766 14.009 1.00 0.00 C ATOM 1560 CZ TYR B 622 -3.520 6.647 13.983 1.00 0.00 C ATOM 1561 OH TYR B 622 -4.349 6.375 15.047 1.00 0.00 O ATOM 0 H TYR B 622 1.149 8.793 11.020 1.00 0.00 H new ATOM 0 HA TYR B 622 0.416 6.082 11.564 1.00 0.00 H new ATOM 0 HB2 TYR B 622 -0.804 8.572 10.579 1.00 0.00 H new ATOM 0 HB3 TYR B 622 -1.413 7.158 9.743 1.00 0.00 H new ATOM 0 HD1 TYR B 622 -2.649 5.406 10.982 1.00 0.00 H new ATOM 0 HD2 TYR B 622 -1.257 8.912 12.961 1.00 0.00 H new ATOM 0 HE1 TYR B 622 -4.129 4.921 12.880 1.00 0.00 H new ATOM 0 HE2 TYR B 622 -2.733 8.429 14.861 1.00 0.00 H new ATOM 0 HH TYR B 622 -4.244 7.070 15.730 1.00 0.00 H new ATOM 1570 N ALA B 623 1.423 6.888 8.558 1.00 0.00 N ATOM 1571 CA ALA B 623 1.819 6.349 7.263 1.00 0.00 C ATOM 1572 C ALA B 623 2.608 5.054 7.427 1.00 0.00 C ATOM 1573 O ALA B 623 2.445 4.114 6.648 1.00 0.00 O ATOM 1574 CB ALA B 623 2.637 7.373 6.491 1.00 0.00 C ATOM 0 H ALA B 623 1.668 7.868 8.699 1.00 0.00 H new ATOM 0 HA ALA B 623 0.914 6.125 6.699 1.00 0.00 H new ATOM 0 HB1 ALA B 623 2.925 6.956 5.526 1.00 0.00 H new ATOM 0 HB2 ALA B 623 2.040 8.272 6.334 1.00 0.00 H new ATOM 0 HB3 ALA B 623 3.532 7.626 7.059 1.00 0.00 H new ATOM 1580 N GLY B 624 3.463 5.011 8.443 1.00 0.00 N ATOM 1581 CA GLY B 624 4.266 3.827 8.689 1.00 0.00 C ATOM 1582 C GLY B 624 3.422 2.576 8.834 1.00 0.00 C ATOM 1583 O GLY B 624 3.900 1.465 8.601 1.00 0.00 O ATOM 0 H GLY B 624 3.615 5.775 9.101 1.00 0.00 H new ATOM 0 HA2 GLY B 624 4.971 3.693 7.869 1.00 0.00 H new ATOM 0 HA3 GLY B 624 4.854 3.972 9.595 1.00 0.00 H new ATOM 1587 N THR B 625 2.162 2.754 9.220 1.00 0.00 N ATOM 1588 CA THR B 625 1.252 1.630 9.398 1.00 0.00 C ATOM 1589 C THR B 625 1.035 0.885 8.088 1.00 0.00 C ATOM 1590 O THR B 625 0.979 -0.345 8.062 1.00 0.00 O ATOM 1591 CB THR B 625 -0.112 2.094 9.943 1.00 0.00 C ATOM 1592 OG1 THR B 625 0.079 3.047 10.995 1.00 0.00 O ATOM 1593 CG2 THR B 625 -0.917 0.913 10.464 1.00 0.00 C ATOM 0 H THR B 625 1.749 3.666 9.415 1.00 0.00 H new ATOM 0 HA THR B 625 1.716 0.959 10.121 1.00 0.00 H new ATOM 0 HB THR B 625 -0.665 2.559 9.127 1.00 0.00 H new ATOM 0 HG1 THR B 625 0.098 3.951 10.618 1.00 0.00 H new ATOM 0 HG21 THR B 625 -1.876 1.265 10.844 1.00 0.00 H new ATOM 0 HG22 THR B 625 -1.086 0.203 9.655 1.00 0.00 H new ATOM 0 HG23 THR B 625 -0.367 0.424 11.267 1.00 0.00 H new ATOM 1601 N LEU B 626 0.913 1.636 6.998 1.00 0.00 N ATOM 1602 CA LEU B 626 0.703 1.045 5.681 1.00 0.00 C ATOM 1603 C LEU B 626 1.943 0.286 5.221 1.00 0.00 C ATOM 1604 O LEU B 626 1.840 -0.769 4.595 1.00 0.00 O ATOM 1605 CB LEU B 626 0.349 2.131 4.663 1.00 0.00 C ATOM 1606 CG LEU B 626 -0.936 2.913 4.936 1.00 0.00 C ATOM 1607 CD1 LEU B 626 -1.178 3.940 3.841 1.00 0.00 C ATOM 1608 CD2 LEU B 626 -2.121 1.966 5.053 1.00 0.00 C ATOM 0 H LEU B 626 0.956 2.655 7.001 1.00 0.00 H new ATOM 0 HA LEU B 626 -0.125 0.340 5.754 1.00 0.00 H new ATOM 0 HB2 LEU B 626 1.177 2.838 4.613 1.00 0.00 H new ATOM 0 HB3 LEU B 626 0.266 1.667 3.680 1.00 0.00 H new ATOM 0 HG LEU B 626 -0.824 3.441 5.883 1.00 0.00 H new ATOM 0 HD11 LEU B 626 -2.097 4.487 4.052 1.00 0.00 H new ATOM 0 HD12 LEU B 626 -0.341 4.637 3.805 1.00 0.00 H new ATOM 0 HD13 LEU B 626 -1.270 3.433 2.881 1.00 0.00 H new ATOM 0 HD21 LEU B 626 -3.027 2.540 5.247 1.00 0.00 H new ATOM 0 HD22 LEU B 626 -2.236 1.410 4.122 1.00 0.00 H new ATOM 0 HD23 LEU B 626 -1.950 1.269 5.873 1.00 0.00 H new ATOM 1619 N GLN B 627 3.114 0.829 5.536 1.00 0.00 N ATOM 1620 CA GLN B 627 4.375 0.201 5.156 1.00 0.00 C ATOM 1621 C GLN B 627 4.564 -1.126 5.885 1.00 0.00 C ATOM 1622 O GLN B 627 5.057 -2.096 5.311 1.00 0.00 O ATOM 1623 CB GLN B 627 5.547 1.135 5.460 1.00 0.00 C ATOM 1624 CG GLN B 627 6.600 1.168 4.364 1.00 0.00 C ATOM 1625 CD GLN B 627 7.531 2.359 4.485 1.00 0.00 C ATOM 1626 OE1 GLN B 627 7.536 3.246 3.632 1.00 0.00 O ATOM 1627 NE2 GLN B 627 8.326 2.383 5.548 1.00 0.00 N ATOM 0 H GLN B 627 3.217 1.702 6.053 1.00 0.00 H new ATOM 0 HA GLN B 627 4.345 0.005 4.084 1.00 0.00 H new ATOM 0 HB2 GLN B 627 5.165 2.144 5.616 1.00 0.00 H new ATOM 0 HB3 GLN B 627 6.016 0.824 6.393 1.00 0.00 H new ATOM 0 HG2 GLN B 627 7.185 0.249 4.400 1.00 0.00 H new ATOM 0 HG3 GLN B 627 6.107 1.194 3.392 1.00 0.00 H new ATOM 0 HE21 GLN B 627 8.288 1.626 6.230 1.00 0.00 H new ATOM 0 HE22 GLN B 627 8.975 3.159 5.682 1.00 0.00 H new ATOM 1634 N SER B 628 4.170 -1.159 7.154 1.00 0.00 N ATOM 1635 CA SER B 628 4.299 -2.365 7.963 1.00 0.00 C ATOM 1636 C SER B 628 3.229 -3.387 7.591 1.00 0.00 C ATOM 1637 O SER B 628 3.534 -4.543 7.295 1.00 0.00 O ATOM 1638 CB SER B 628 4.198 -2.021 9.450 1.00 0.00 C ATOM 1639 OG SER B 628 4.754 -3.049 10.251 1.00 0.00 O ATOM 0 H SER B 628 3.759 -0.364 7.644 1.00 0.00 H new ATOM 0 HA SER B 628 5.278 -2.802 7.765 1.00 0.00 H new ATOM 0 HB2 SER B 628 4.717 -1.083 9.645 1.00 0.00 H new ATOM 0 HB3 SER B 628 3.153 -1.870 9.721 1.00 0.00 H new ATOM 0 HG SER B 628 4.678 -2.804 11.197 1.00 0.00 H new ATOM 1644 N LEU B 629 1.974 -2.952 7.610 1.00 0.00 N ATOM 1645 CA LEU B 629 0.856 -3.827 7.275 1.00 0.00 C ATOM 1646 C LEU B 629 0.978 -4.342 5.845 1.00 0.00 C ATOM 1647 O LEU B 629 0.714 -5.512 5.571 1.00 0.00 O ATOM 1648 CB LEU B 629 -0.469 -3.084 7.451 1.00 0.00 C ATOM 1649 CG LEU B 629 -1.669 -3.940 7.859 1.00 0.00 C ATOM 1650 CD1 LEU B 629 -2.940 -3.104 7.874 1.00 0.00 C ATOM 1651 CD2 LEU B 629 -1.822 -5.128 6.922 1.00 0.00 C ATOM 0 H LEU B 629 1.705 -1.999 7.854 1.00 0.00 H new ATOM 0 HA LEU B 629 0.879 -4.681 7.952 1.00 0.00 H new ATOM 0 HB2 LEU B 629 -0.330 -2.307 8.203 1.00 0.00 H new ATOM 0 HB3 LEU B 629 -0.708 -2.582 6.514 1.00 0.00 H new ATOM 0 HG LEU B 629 -1.494 -4.318 8.866 1.00 0.00 H new ATOM 0 HD11 LEU B 629 -3.783 -3.729 8.166 1.00 0.00 H new ATOM 0 HD12 LEU B 629 -2.830 -2.287 8.587 1.00 0.00 H new ATOM 0 HD13 LEU B 629 -3.119 -2.696 6.879 1.00 0.00 H new ATOM 0 HD21 LEU B 629 -2.681 -5.725 7.229 1.00 0.00 H new ATOM 0 HD22 LEU B 629 -1.973 -4.771 5.903 1.00 0.00 H new ATOM 0 HD23 LEU B 629 -0.922 -5.741 6.962 1.00 0.00 H new ATOM 1662 N GLY B 630 1.381 -3.460 4.935 1.00 0.00 N ATOM 1663 CA GLY B 630 1.532 -3.845 3.544 1.00 0.00 C ATOM 1664 C GLY B 630 2.392 -5.082 3.376 1.00 0.00 C ATOM 1665 O GLY B 630 2.097 -5.944 2.548 1.00 0.00 O ATOM 0 H GLY B 630 1.606 -2.486 5.137 1.00 0.00 H new ATOM 0 HA2 GLY B 630 0.548 -4.029 3.112 1.00 0.00 H new ATOM 0 HA3 GLY B 630 1.976 -3.019 2.988 1.00 0.00 H new ATOM 1669 N ALA B 631 3.461 -5.168 4.161 1.00 0.00 N ATOM 1670 CA ALA B 631 4.367 -6.309 4.094 1.00 0.00 C ATOM 1671 C ALA B 631 3.672 -7.590 4.543 1.00 0.00 C ATOM 1672 O ALA B 631 3.941 -8.669 4.018 1.00 0.00 O ATOM 1673 CB ALA B 631 5.603 -6.052 4.945 1.00 0.00 C ATOM 0 H ALA B 631 3.721 -4.462 4.850 1.00 0.00 H new ATOM 0 HA ALA B 631 4.673 -6.437 3.056 1.00 0.00 H new ATOM 0 HB1 ALA B 631 6.271 -6.912 4.886 1.00 0.00 H new ATOM 0 HB2 ALA B 631 6.120 -5.165 4.578 1.00 0.00 H new ATOM 0 HB3 ALA B 631 5.305 -5.895 5.982 1.00 0.00 H new ATOM 1679 N GLU B 632 2.775 -7.462 5.517 1.00 0.00 N ATOM 1680 CA GLU B 632 2.042 -8.610 6.035 1.00 0.00 C ATOM 1681 C GLU B 632 1.309 -9.340 4.914 1.00 0.00 C ATOM 1682 O GLU B 632 1.262 -10.569 4.885 1.00 0.00 O ATOM 1683 CB GLU B 632 1.045 -8.166 7.107 1.00 0.00 C ATOM 1684 CG GLU B 632 1.686 -7.408 8.258 1.00 0.00 C ATOM 1685 CD GLU B 632 2.072 -8.315 9.411 1.00 0.00 C ATOM 1686 OE1 GLU B 632 2.822 -9.286 9.178 1.00 0.00 O ATOM 1687 OE2 GLU B 632 1.621 -8.054 10.546 1.00 0.00 O ATOM 0 H GLU B 632 2.539 -6.575 5.962 1.00 0.00 H new ATOM 0 HA GLU B 632 2.762 -9.296 6.481 1.00 0.00 H new ATOM 0 HB2 GLU B 632 0.285 -7.535 6.646 1.00 0.00 H new ATOM 0 HB3 GLU B 632 0.533 -9.044 7.501 1.00 0.00 H new ATOM 0 HG2 GLU B 632 2.573 -6.888 7.897 1.00 0.00 H new ATOM 0 HG3 GLU B 632 0.994 -6.646 8.616 1.00 0.00 H new ATOM 1692 N ILE B 633 0.736 -8.572 3.993 1.00 0.00 N ATOM 1693 CA ILE B 633 0.005 -9.144 2.869 1.00 0.00 C ATOM 1694 C ILE B 633 0.957 -9.759 1.849 1.00 0.00 C ATOM 1695 O ILE B 633 0.628 -10.748 1.196 1.00 0.00 O ATOM 1696 CB ILE B 633 -0.868 -8.086 2.167 1.00 0.00 C ATOM 1697 CG1 ILE B 633 -1.863 -7.477 3.157 1.00 0.00 C ATOM 1698 CG2 ILE B 633 -1.599 -8.702 0.984 1.00 0.00 C ATOM 1699 CD1 ILE B 633 -2.557 -6.240 2.632 1.00 0.00 C ATOM 0 H ILE B 633 0.764 -7.552 4.003 1.00 0.00 H new ATOM 0 HA ILE B 633 -0.640 -9.923 3.276 1.00 0.00 H new ATOM 0 HB ILE B 633 -0.221 -7.291 1.795 1.00 0.00 H new ATOM 0 HG12 ILE B 633 -2.614 -8.225 3.411 1.00 0.00 H new ATOM 0 HG13 ILE B 633 -1.338 -7.226 4.079 1.00 0.00 H new ATOM 0 HG21 ILE B 633 -2.211 -7.942 0.499 1.00 0.00 H new ATOM 0 HG22 ILE B 633 -0.873 -9.093 0.271 1.00 0.00 H new ATOM 0 HG23 ILE B 633 -2.237 -9.514 1.333 1.00 0.00 H new ATOM 0 HD11 ILE B 633 -3.247 -5.862 3.386 1.00 0.00 H new ATOM 0 HD12 ILE B 633 -1.814 -5.475 2.404 1.00 0.00 H new ATOM 0 HD13 ILE B 633 -3.110 -6.490 1.726 1.00 0.00 H new ATOM 1710 N ALA B 634 2.140 -9.166 1.719 1.00 0.00 N ATOM 1711 CA ALA B 634 3.141 -9.657 0.783 1.00 0.00 C ATOM 1712 C ALA B 634 3.664 -11.026 1.205 1.00 0.00 C ATOM 1713 O ALA B 634 3.651 -11.976 0.421 1.00 0.00 O ATOM 1714 CB ALA B 634 4.289 -8.665 0.668 1.00 0.00 C ATOM 0 H ALA B 634 2.427 -8.345 2.251 1.00 0.00 H new ATOM 0 HA ALA B 634 2.667 -9.763 -0.193 1.00 0.00 H new ATOM 0 HB1 ALA B 634 5.030 -9.046 -0.035 1.00 0.00 H new ATOM 0 HB2 ALA B 634 3.908 -7.708 0.312 1.00 0.00 H new ATOM 0 HB3 ALA B 634 4.752 -8.530 1.645 1.00 0.00 H new ATOM 1720 N VAL B 635 4.125 -11.120 2.448 1.00 0.00 N ATOM 1721 CA VAL B 635 4.652 -12.373 2.975 1.00 0.00 C ATOM 1722 C VAL B 635 3.624 -13.492 2.864 1.00 0.00 C ATOM 1723 O VAL B 635 3.959 -14.626 2.525 1.00 0.00 O ATOM 1724 CB VAL B 635 5.080 -12.228 4.448 1.00 0.00 C ATOM 1725 CG1 VAL B 635 3.933 -11.683 5.285 1.00 0.00 C ATOM 1726 CG2 VAL B 635 5.565 -13.560 4.996 1.00 0.00 C ATOM 0 H VAL B 635 4.144 -10.343 3.109 1.00 0.00 H new ATOM 0 HA VAL B 635 5.526 -12.625 2.374 1.00 0.00 H new ATOM 0 HB VAL B 635 5.906 -11.519 4.500 1.00 0.00 H new ATOM 0 HG11 VAL B 635 4.253 -11.587 6.322 1.00 0.00 H new ATOM 0 HG12 VAL B 635 3.638 -10.705 4.905 1.00 0.00 H new ATOM 0 HG13 VAL B 635 3.085 -12.366 5.229 1.00 0.00 H new ATOM 0 HG21 VAL B 635 5.863 -13.438 6.037 1.00 0.00 H new ATOM 0 HG22 VAL B 635 4.762 -14.294 4.932 1.00 0.00 H new ATOM 0 HG23 VAL B 635 6.419 -13.905 4.412 1.00 0.00 H new ATOM 1736 N GLU B 636 2.368 -13.164 3.153 1.00 0.00 N ATOM 1737 CA GLU B 636 1.289 -14.143 3.086 1.00 0.00 C ATOM 1738 C GLU B 636 1.140 -14.692 1.670 1.00 0.00 C ATOM 1739 O GLU B 636 0.900 -15.884 1.479 1.00 0.00 O ATOM 1740 CB GLU B 636 -0.029 -13.514 3.543 1.00 0.00 C ATOM 1741 CG GLU B 636 -0.465 -13.955 4.930 1.00 0.00 C ATOM 1742 CD GLU B 636 -0.990 -15.377 4.952 1.00 0.00 C ATOM 1743 OE1 GLU B 636 -2.126 -15.599 4.482 1.00 0.00 O ATOM 1744 OE2 GLU B 636 -0.264 -16.269 5.440 1.00 0.00 O ATOM 0 H GLU B 636 2.073 -12.229 3.435 1.00 0.00 H new ATOM 0 HA GLU B 636 1.539 -14.968 3.752 1.00 0.00 H new ATOM 0 HB2 GLU B 636 0.073 -12.429 3.531 1.00 0.00 H new ATOM 0 HB3 GLU B 636 -0.811 -13.769 2.827 1.00 0.00 H new ATOM 0 HG2 GLU B 636 0.379 -13.873 5.615 1.00 0.00 H new ATOM 0 HG3 GLU B 636 -1.239 -13.280 5.295 1.00 0.00 H new ATOM 1749 N GLN B 637 1.282 -13.813 0.683 1.00 0.00 N ATOM 1750 CA GLN B 637 1.161 -14.210 -0.715 1.00 0.00 C ATOM 1751 C GLN B 637 2.387 -14.998 -1.164 1.00 0.00 C ATOM 1752 O GLN B 637 2.292 -15.878 -2.020 1.00 0.00 O ATOM 1753 CB GLN B 637 0.978 -12.978 -1.603 1.00 0.00 C ATOM 1754 CG GLN B 637 1.739 -13.055 -2.916 1.00 0.00 C ATOM 1755 CD GLN B 637 3.189 -12.636 -2.775 1.00 0.00 C ATOM 1756 OE1 GLN B 637 3.489 -11.563 -2.253 1.00 0.00 O ATOM 1757 NE2 GLN B 637 4.098 -13.485 -3.244 1.00 0.00 N ATOM 0 H GLN B 637 1.481 -12.823 0.825 1.00 0.00 H new ATOM 0 HA GLN B 637 0.284 -14.851 -0.811 1.00 0.00 H new ATOM 0 HB2 GLN B 637 -0.083 -12.848 -1.815 1.00 0.00 H new ATOM 0 HB3 GLN B 637 1.304 -12.094 -1.055 1.00 0.00 H new ATOM 0 HG2 GLN B 637 1.695 -14.075 -3.298 1.00 0.00 H new ATOM 0 HG3 GLN B 637 1.250 -12.417 -3.653 1.00 0.00 H new ATOM 0 HE21 GLN B 637 3.803 -14.364 -3.669 1.00 0.00 H new ATOM 0 HE22 GLN B 637 5.090 -13.257 -3.179 1.00 0.00 H new ATOM 1764 N ALA B 638 3.538 -14.674 -0.584 1.00 0.00 N ATOM 1765 CA ALA B 638 4.782 -15.354 -0.924 1.00 0.00 C ATOM 1766 C ALA B 638 4.825 -16.754 -0.323 1.00 0.00 C ATOM 1767 O ALA B 638 5.526 -17.634 -0.824 1.00 0.00 O ATOM 1768 CB ALA B 638 5.976 -14.537 -0.450 1.00 0.00 C ATOM 0 H ALA B 638 3.635 -13.945 0.123 1.00 0.00 H new ATOM 0 HA ALA B 638 4.829 -15.452 -2.009 1.00 0.00 H new ATOM 0 HB1 ALA B 638 6.898 -15.056 -0.710 1.00 0.00 H new ATOM 0 HB2 ALA B 638 5.962 -13.559 -0.931 1.00 0.00 H new ATOM 0 HB3 ALA B 638 5.924 -14.410 0.631 1.00 0.00 H new ATOM 1774 N ALA B 639 4.073 -16.954 0.754 1.00 0.00 N ATOM 1775 CA ALA B 639 4.025 -18.249 1.422 1.00 0.00 C ATOM 1776 C ALA B 639 3.072 -19.201 0.707 1.00 0.00 C ATOM 1777 O ALA B 639 3.198 -20.421 0.816 1.00 0.00 O ATOM 1778 CB ALA B 639 3.611 -18.078 2.876 1.00 0.00 C ATOM 0 H ALA B 639 3.489 -16.236 1.183 1.00 0.00 H new ATOM 0 HA ALA B 639 5.024 -18.684 1.389 1.00 0.00 H new ATOM 0 HB1 ALA B 639 3.579 -19.053 3.362 1.00 0.00 H new ATOM 0 HB2 ALA B 639 4.333 -17.441 3.387 1.00 0.00 H new ATOM 0 HB3 ALA B 639 2.624 -17.618 2.922 1.00 0.00 H new ATOM 1784 N LEU B 640 2.116 -18.635 -0.022 1.00 0.00 N ATOM 1785 CA LEU B 640 1.140 -19.434 -0.756 1.00 0.00 C ATOM 1786 C LEU B 640 1.382 -19.346 -2.259 1.00 0.00 C ATOM 1787 O LEU B 640 0.452 -19.477 -3.054 1.00 0.00 O ATOM 1788 CB LEU B 640 -0.279 -18.968 -0.427 1.00 0.00 C ATOM 1789 CG LEU B 640 -0.566 -18.678 1.047 1.00 0.00 C ATOM 1790 CD1 LEU B 640 -1.850 -17.876 1.193 1.00 0.00 C ATOM 1791 CD2 LEU B 640 -0.654 -19.975 1.838 1.00 0.00 C ATOM 0 H LEU B 640 1.996 -17.627 -0.121 1.00 0.00 H new ATOM 0 HA LEU B 640 1.255 -20.474 -0.450 1.00 0.00 H new ATOM 0 HB2 LEU B 640 -0.485 -18.065 -1.001 1.00 0.00 H new ATOM 0 HB3 LEU B 640 -0.979 -19.730 -0.769 1.00 0.00 H new ATOM 0 HG LEU B 640 0.257 -18.085 1.448 1.00 0.00 H new ATOM 0 HD11 LEU B 640 -2.038 -17.679 2.248 1.00 0.00 H new ATOM 0 HD12 LEU B 640 -1.751 -16.931 0.660 1.00 0.00 H new ATOM 0 HD13 LEU B 640 -2.682 -18.443 0.776 1.00 0.00 H new ATOM 0 HD21 LEU B 640 -0.859 -19.750 2.885 1.00 0.00 H new ATOM 0 HD22 LEU B 640 -1.457 -20.593 1.436 1.00 0.00 H new ATOM 0 HD23 LEU B 640 0.291 -20.513 1.761 1.00 0.00 H new ATOM 1802 N GLN B 641 2.636 -19.125 -2.638 1.00 0.00 N ATOM 1803 CA GLN B 641 2.999 -19.021 -4.047 1.00 0.00 C ATOM 1804 C GLN B 641 2.559 -20.261 -4.817 1.00 0.00 C ATOM 1805 O GLN B 641 1.962 -20.160 -5.888 1.00 0.00 O ATOM 1806 CB GLN B 641 4.509 -18.825 -4.193 1.00 0.00 C ATOM 1807 CG GLN B 641 5.002 -17.486 -3.670 1.00 0.00 C ATOM 1808 CD GLN B 641 4.874 -16.376 -4.696 1.00 0.00 C ATOM 1809 OE1 GLN B 641 5.858 -15.965 -5.310 1.00 0.00 O ATOM 1810 NE2 GLN B 641 3.655 -15.883 -4.886 1.00 0.00 N ATOM 0 H GLN B 641 3.417 -19.015 -1.991 1.00 0.00 H new ATOM 0 HA GLN B 641 2.485 -18.156 -4.465 1.00 0.00 H new ATOM 0 HB2 GLN B 641 5.024 -19.625 -3.661 1.00 0.00 H new ATOM 0 HB3 GLN B 641 4.779 -18.916 -5.245 1.00 0.00 H new ATOM 0 HG2 GLN B 641 4.436 -17.218 -2.778 1.00 0.00 H new ATOM 0 HG3 GLN B 641 6.046 -17.579 -3.370 1.00 0.00 H new ATOM 0 HE21 GLN B 641 2.867 -16.253 -4.355 1.00 0.00 H new ATOM 0 HE22 GLN B 641 3.507 -15.134 -5.563 1.00 0.00 H new ATOM 1817 N SER B 642 2.858 -21.432 -4.262 1.00 0.00 N ATOM 1818 CA SER B 642 2.496 -22.694 -4.899 1.00 0.00 C ATOM 1819 C SER B 642 0.998 -22.750 -5.181 1.00 0.00 C ATOM 1820 O SER B 642 0.552 -23.444 -6.094 1.00 0.00 O ATOM 1821 CB SER B 642 2.904 -23.872 -4.012 1.00 0.00 C ATOM 1822 OG SER B 642 1.929 -24.121 -3.015 1.00 0.00 O ATOM 0 H SER B 642 3.349 -21.533 -3.374 1.00 0.00 H new ATOM 0 HA SER B 642 3.029 -22.760 -5.847 1.00 0.00 H new ATOM 0 HB2 SER B 642 3.038 -24.763 -4.625 1.00 0.00 H new ATOM 0 HB3 SER B 642 3.864 -23.661 -3.541 1.00 0.00 H new ATOM 0 HG SER B 642 2.212 -24.879 -2.463 1.00 0.00 H new ATOM 1827 N ALA B 643 0.225 -22.013 -4.389 1.00 0.00 N ATOM 1828 CA ALA B 643 -1.224 -21.977 -4.554 1.00 0.00 C ATOM 1829 C ALA B 643 -1.621 -21.074 -5.717 1.00 0.00 C ATOM 1830 O ALA B 643 -2.632 -21.308 -6.379 1.00 0.00 O ATOM 1831 CB ALA B 643 -1.889 -21.510 -3.268 1.00 0.00 C ATOM 0 H ALA B 643 0.578 -21.433 -3.627 1.00 0.00 H new ATOM 0 HA ALA B 643 -1.566 -22.987 -4.780 1.00 0.00 H new ATOM 0 HB1 ALA B 643 -2.970 -21.488 -3.405 1.00 0.00 H new ATOM 0 HB2 ALA B 643 -1.640 -22.197 -2.459 1.00 0.00 H new ATOM 0 HB3 ALA B 643 -1.534 -20.510 -3.017 1.00 0.00 H new ATOM 1837 N TRP B 644 -0.820 -20.042 -5.958 1.00 0.00 N ATOM 1838 CA TRP B 644 -1.090 -19.102 -7.041 1.00 0.00 C ATOM 1839 C TRP B 644 -1.274 -19.837 -8.365 1.00 0.00 C ATOM 1840 O TRP B 644 -0.617 -20.845 -8.621 1.00 0.00 O ATOM 1841 CB TRP B 644 0.049 -18.089 -7.160 1.00 0.00 C ATOM 1842 CG TRP B 644 -0.323 -16.868 -7.947 1.00 0.00 C ATOM 1843 CD1 TRP B 644 -0.320 -16.737 -9.306 1.00 0.00 C ATOM 1844 CD2 TRP B 644 -0.748 -15.606 -7.422 1.00 0.00 C ATOM 1845 NE1 TRP B 644 -0.719 -15.471 -9.658 1.00 0.00 N ATOM 1846 CE2 TRP B 644 -0.988 -14.757 -8.520 1.00 0.00 C ATOM 1847 CE3 TRP B 644 -0.953 -15.111 -6.131 1.00 0.00 C ATOM 1848 CZ2 TRP B 644 -1.419 -13.443 -8.364 1.00 0.00 C ATOM 1849 CZ3 TRP B 644 -1.381 -13.806 -5.978 1.00 0.00 C ATOM 1850 CH2 TRP B 644 -1.611 -12.984 -7.089 1.00 0.00 C ATOM 0 H TRP B 644 0.021 -19.835 -5.419 1.00 0.00 H new ATOM 0 HA TRP B 644 -2.014 -18.573 -6.809 1.00 0.00 H new ATOM 0 HB2 TRP B 644 0.363 -17.787 -6.161 1.00 0.00 H new ATOM 0 HB3 TRP B 644 0.906 -18.570 -7.632 1.00 0.00 H new ATOM 0 HD1 TRP B 644 -0.044 -17.515 -10.002 1.00 0.00 H new ATOM 0 HE1 TRP B 644 -0.802 -15.119 -10.612 1.00 0.00 H new ATOM 0 HE3 TRP B 644 -0.780 -15.737 -5.268 1.00 0.00 H new ATOM 0 HZ2 TRP B 644 -1.596 -12.808 -9.219 1.00 0.00 H new ATOM 0 HZ3 TRP B 644 -1.541 -13.413 -4.985 1.00 0.00 H new ATOM 0 HH2 TRP B 644 -1.946 -11.969 -6.936 1.00 0.00 H new ATOM 1860 N GLN B 645 -2.171 -19.323 -9.201 1.00 0.00 N ATOM 1861 CA GLN B 645 -2.440 -19.932 -10.498 1.00 0.00 C ATOM 1862 C GLN B 645 -1.562 -19.314 -11.582 1.00 0.00 C ATOM 1863 O GLN B 645 -0.714 -19.986 -12.167 1.00 0.00 O ATOM 1864 CB GLN B 645 -3.915 -19.769 -10.866 1.00 0.00 C ATOM 1865 CG GLN B 645 -4.868 -20.306 -9.810 1.00 0.00 C ATOM 1866 CD GLN B 645 -4.974 -21.818 -9.835 1.00 0.00 C ATOM 1867 OE1 GLN B 645 -5.705 -22.387 -10.647 1.00 0.00 O ATOM 1868 NE2 GLN B 645 -4.245 -22.478 -8.944 1.00 0.00 N ATOM 0 H GLN B 645 -2.723 -18.488 -9.004 1.00 0.00 H new ATOM 0 HA GLN B 645 -2.206 -20.994 -10.428 1.00 0.00 H new ATOM 0 HB2 GLN B 645 -4.125 -18.712 -11.030 1.00 0.00 H new ATOM 0 HB3 GLN B 645 -4.105 -20.282 -11.809 1.00 0.00 H new ATOM 0 HG2 GLN B 645 -4.530 -19.985 -8.824 1.00 0.00 H new ATOM 0 HG3 GLN B 645 -5.857 -19.874 -9.964 1.00 0.00 H new ATOM 0 HE21 GLN B 645 -3.653 -21.966 -8.290 1.00 0.00 H new ATOM 0 HE22 GLN B 645 -4.277 -23.497 -8.913 1.00 0.00 H new ATOM 1875 N GLY B 646 -1.774 -18.028 -11.846 1.00 0.00 N ATOM 1876 CA GLY B 646 -0.995 -17.341 -12.860 1.00 0.00 C ATOM 1877 C GLY B 646 -1.723 -17.248 -14.186 1.00 0.00 C ATOM 1878 O GLY B 646 -1.389 -16.413 -15.028 1.00 0.00 O ATOM 0 H GLY B 646 -2.471 -17.450 -11.376 1.00 0.00 H new ATOM 0 HA2 GLY B 646 -0.754 -16.337 -12.510 1.00 0.00 H new ATOM 0 HA3 GLY B 646 -0.050 -17.864 -13.004 1.00 0.00 H new ATOM 1882 N ASP B 647 -2.719 -18.106 -14.374 1.00 0.00 N ATOM 1883 CA ASP B 647 -3.496 -18.118 -15.608 1.00 0.00 C ATOM 1884 C ASP B 647 -4.797 -17.340 -15.438 1.00 0.00 C ATOM 1885 O ASP B 647 -5.789 -17.611 -16.117 1.00 0.00 O ATOM 1886 CB ASP B 647 -3.798 -19.557 -16.032 1.00 0.00 C ATOM 1887 CG ASP B 647 -2.573 -20.447 -15.971 1.00 0.00 C ATOM 1888 OD1 ASP B 647 -1.461 -19.943 -16.230 1.00 0.00 O ATOM 1889 OD2 ASP B 647 -2.726 -21.649 -15.665 1.00 0.00 O ATOM 0 H ASP B 647 -3.008 -18.803 -13.687 1.00 0.00 H new ATOM 0 HA ASP B 647 -2.904 -17.635 -16.386 1.00 0.00 H new ATOM 0 HB2 ASP B 647 -4.574 -19.968 -15.386 1.00 0.00 H new ATOM 0 HB3 ASP B 647 -4.194 -19.558 -17.047 1.00 0.00 H new ATOM 1893 N THR B 648 -4.789 -16.373 -14.527 1.00 0.00 N ATOM 1894 CA THR B 648 -5.967 -15.558 -14.265 1.00 0.00 C ATOM 1895 C THR B 648 -5.692 -14.085 -14.546 1.00 0.00 C ATOM 1896 O THR B 648 -6.590 -13.337 -14.929 1.00 0.00 O ATOM 1897 CB THR B 648 -6.444 -15.711 -12.809 1.00 0.00 C ATOM 1898 OG1 THR B 648 -5.536 -15.045 -11.924 1.00 0.00 O ATOM 1899 CG2 THR B 648 -6.551 -17.178 -12.424 1.00 0.00 C ATOM 0 H THR B 648 -3.977 -16.135 -13.957 1.00 0.00 H new ATOM 0 HA THR B 648 -6.750 -15.912 -14.935 1.00 0.00 H new ATOM 0 HB THR B 648 -7.432 -15.258 -12.725 1.00 0.00 H new ATOM 0 HG1 THR B 648 -4.903 -15.696 -11.554 1.00 0.00 H new ATOM 0 HG21 THR B 648 -6.890 -17.259 -11.391 1.00 0.00 H new ATOM 0 HG22 THR B 648 -7.265 -17.675 -13.080 1.00 0.00 H new ATOM 0 HG23 THR B 648 -5.575 -17.653 -12.524 1.00 0.00 H new ATOM 1907 N GLY B 649 -4.441 -13.676 -14.355 1.00 0.00 N ATOM 1908 CA GLY B 649 -4.069 -12.293 -14.593 1.00 0.00 C ATOM 1909 C GLY B 649 -2.660 -11.984 -14.128 1.00 0.00 C ATOM 1910 O GLY B 649 -1.694 -12.214 -14.857 1.00 0.00 O ATOM 0 H GLY B 649 -3.679 -14.277 -14.040 1.00 0.00 H new ATOM 0 HA2 GLY B 649 -4.153 -12.075 -15.658 1.00 0.00 H new ATOM 0 HA3 GLY B 649 -4.771 -11.637 -14.077 1.00 0.00 H new ATOM 1914 N ILE B 650 -2.541 -11.459 -12.914 1.00 0.00 N ATOM 1915 CA ILE B 650 -1.240 -11.117 -12.353 1.00 0.00 C ATOM 1916 C ILE B 650 -0.485 -12.367 -11.913 1.00 0.00 C ATOM 1917 O ILE B 650 -1.078 -13.313 -11.391 1.00 0.00 O ATOM 1918 CB ILE B 650 -1.376 -10.163 -11.152 1.00 0.00 C ATOM 1919 CG1 ILE B 650 -2.079 -8.872 -11.576 1.00 0.00 C ATOM 1920 CG2 ILE B 650 -0.009 -9.859 -10.558 1.00 0.00 C ATOM 1921 CD1 ILE B 650 -2.236 -7.872 -10.451 1.00 0.00 C ATOM 0 H ILE B 650 -3.330 -11.261 -12.299 1.00 0.00 H new ATOM 0 HA ILE B 650 -0.679 -10.615 -13.142 1.00 0.00 H new ATOM 0 HB ILE B 650 -1.981 -10.650 -10.387 1.00 0.00 H new ATOM 0 HG12 ILE B 650 -1.515 -8.410 -12.386 1.00 0.00 H new ATOM 0 HG13 ILE B 650 -3.064 -9.118 -11.973 1.00 0.00 H new ATOM 0 HG21 ILE B 650 -0.123 -9.183 -9.710 1.00 0.00 H new ATOM 0 HG22 ILE B 650 0.457 -10.786 -10.223 1.00 0.00 H new ATOM 0 HG23 ILE B 650 0.620 -9.389 -11.314 1.00 0.00 H new ATOM 0 HD11 ILE B 650 -2.742 -6.982 -10.824 1.00 0.00 H new ATOM 0 HD12 ILE B 650 -2.826 -8.316 -9.649 1.00 0.00 H new ATOM 0 HD13 ILE B 650 -1.253 -7.597 -10.069 1.00 0.00 H new ATOM 1932 N THR B 651 0.828 -12.365 -12.124 1.00 0.00 N ATOM 1933 CA THR B 651 1.664 -13.497 -11.748 1.00 0.00 C ATOM 1934 C THR B 651 2.303 -13.278 -10.381 1.00 0.00 C ATOM 1935 O THR B 651 2.217 -12.190 -9.811 1.00 0.00 O ATOM 1936 CB THR B 651 2.773 -13.745 -12.787 1.00 0.00 C ATOM 1937 OG1 THR B 651 2.441 -13.099 -14.021 1.00 0.00 O ATOM 1938 CG2 THR B 651 2.967 -15.236 -13.026 1.00 0.00 C ATOM 0 H THR B 651 1.335 -11.591 -12.554 1.00 0.00 H new ATOM 0 HA THR B 651 1.014 -14.371 -11.706 1.00 0.00 H new ATOM 0 HB THR B 651 3.704 -13.331 -12.399 1.00 0.00 H new ATOM 0 HG1 THR B 651 3.152 -13.260 -14.676 1.00 0.00 H new ATOM 0 HG21 THR B 651 3.755 -15.387 -13.764 1.00 0.00 H new ATOM 0 HG22 THR B 651 3.247 -15.721 -12.091 1.00 0.00 H new ATOM 0 HG23 THR B 651 2.037 -15.669 -13.395 1.00 0.00 H new ATOM 1946 N TYR B 652 2.946 -14.318 -9.861 1.00 0.00 N ATOM 1947 CA TYR B 652 3.601 -14.240 -8.560 1.00 0.00 C ATOM 1948 C TYR B 652 4.749 -13.237 -8.587 1.00 0.00 C ATOM 1949 O TYR B 652 4.966 -12.499 -7.627 1.00 0.00 O ATOM 1950 CB TYR B 652 4.120 -15.617 -8.143 1.00 0.00 C ATOM 1951 CG TYR B 652 5.165 -16.178 -9.080 1.00 0.00 C ATOM 1952 CD1 TYR B 652 4.801 -16.931 -10.190 1.00 0.00 C ATOM 1953 CD2 TYR B 652 6.519 -15.956 -8.856 1.00 0.00 C ATOM 1954 CE1 TYR B 652 5.754 -17.446 -11.048 1.00 0.00 C ATOM 1955 CE2 TYR B 652 7.478 -16.466 -9.709 1.00 0.00 C ATOM 1956 CZ TYR B 652 7.090 -17.211 -10.803 1.00 0.00 C ATOM 1957 OH TYR B 652 8.042 -17.722 -11.656 1.00 0.00 O ATOM 0 H TYR B 652 3.028 -15.225 -10.320 1.00 0.00 H new ATOM 0 HA TYR B 652 2.865 -13.901 -7.831 1.00 0.00 H new ATOM 0 HB2 TYR B 652 4.542 -15.549 -7.140 1.00 0.00 H new ATOM 0 HB3 TYR B 652 3.281 -16.311 -8.089 1.00 0.00 H new ATOM 0 HD1 TYR B 652 3.755 -17.117 -10.385 1.00 0.00 H new ATOM 0 HD2 TYR B 652 6.826 -15.374 -8.000 1.00 0.00 H new ATOM 0 HE1 TYR B 652 5.454 -18.029 -11.906 1.00 0.00 H new ATOM 0 HE2 TYR B 652 8.525 -16.283 -9.521 1.00 0.00 H new ATOM 0 HH TYR B 652 8.934 -17.465 -11.342 1.00 0.00 H new ATOM 1966 N GLN B 653 5.483 -13.217 -9.696 1.00 0.00 N ATOM 1967 CA GLN B 653 6.611 -12.306 -9.850 1.00 0.00 C ATOM 1968 C GLN B 653 6.128 -10.876 -10.075 1.00 0.00 C ATOM 1969 O GLN B 653 6.687 -9.928 -9.523 1.00 0.00 O ATOM 1970 CB GLN B 653 7.496 -12.747 -11.016 1.00 0.00 C ATOM 1971 CG GLN B 653 6.761 -12.818 -12.345 1.00 0.00 C ATOM 1972 CD GLN B 653 7.626 -13.367 -13.462 1.00 0.00 C ATOM 1973 OE1 GLN B 653 7.310 -14.396 -14.060 1.00 0.00 O ATOM 1974 NE2 GLN B 653 8.726 -12.681 -13.749 1.00 0.00 N ATOM 0 H GLN B 653 5.316 -13.821 -10.501 1.00 0.00 H new ATOM 0 HA GLN B 653 7.195 -12.333 -8.930 1.00 0.00 H new ATOM 0 HB2 GLN B 653 8.332 -12.054 -11.109 1.00 0.00 H new ATOM 0 HB3 GLN B 653 7.918 -13.727 -10.791 1.00 0.00 H new ATOM 0 HG2 GLN B 653 5.877 -13.446 -12.234 1.00 0.00 H new ATOM 0 HG3 GLN B 653 6.413 -11.822 -12.617 1.00 0.00 H new ATOM 0 HE21 GLN B 653 8.949 -11.833 -13.228 1.00 0.00 H new ATOM 0 HE22 GLN B 653 9.348 -13.002 -14.491 1.00 0.00 H new ATOM 1981 N ALA B 654 5.088 -10.730 -10.887 1.00 0.00 N ATOM 1982 CA ALA B 654 4.529 -9.416 -11.184 1.00 0.00 C ATOM 1983 C ALA B 654 3.849 -8.819 -9.956 1.00 0.00 C ATOM 1984 O ALA B 654 4.023 -7.639 -9.651 1.00 0.00 O ATOM 1985 CB ALA B 654 3.545 -9.510 -12.342 1.00 0.00 C ATOM 0 H ALA B 654 4.614 -11.505 -11.352 1.00 0.00 H new ATOM 0 HA ALA B 654 5.348 -8.756 -11.471 1.00 0.00 H new ATOM 0 HB1 ALA B 654 3.136 -8.522 -12.553 1.00 0.00 H new ATOM 0 HB2 ALA B 654 4.059 -9.886 -13.227 1.00 0.00 H new ATOM 0 HB3 ALA B 654 2.735 -10.189 -12.077 1.00 0.00 H new ATOM 1991 N TRP B 655 3.074 -9.640 -9.257 1.00 0.00 N ATOM 1992 CA TRP B 655 2.367 -9.192 -8.063 1.00 0.00 C ATOM 1993 C TRP B 655 3.347 -8.702 -7.002 1.00 0.00 C ATOM 1994 O TRP B 655 3.114 -7.683 -6.354 1.00 0.00 O ATOM 1995 CB TRP B 655 1.509 -10.324 -7.498 1.00 0.00 C ATOM 1996 CG TRP B 655 0.552 -9.873 -6.436 1.00 0.00 C ATOM 1997 CD1 TRP B 655 -0.792 -9.676 -6.572 1.00 0.00 C ATOM 1998 CD2 TRP B 655 0.870 -9.559 -5.075 1.00 0.00 C ATOM 1999 NE1 TRP B 655 -1.330 -9.258 -5.379 1.00 0.00 N ATOM 2000 CE2 TRP B 655 -0.332 -9.180 -4.444 1.00 0.00 C ATOM 2001 CE3 TRP B 655 2.050 -9.564 -4.328 1.00 0.00 C ATOM 2002 CZ2 TRP B 655 -0.383 -8.809 -3.103 1.00 0.00 C ATOM 2003 CZ3 TRP B 655 1.998 -9.194 -2.997 1.00 0.00 C ATOM 2004 CH2 TRP B 655 0.788 -8.823 -2.396 1.00 0.00 C ATOM 0 H TRP B 655 2.919 -10.619 -9.496 1.00 0.00 H new ATOM 0 HA TRP B 655 1.720 -8.361 -8.345 1.00 0.00 H new ATOM 0 HB2 TRP B 655 0.947 -10.785 -8.311 1.00 0.00 H new ATOM 0 HB3 TRP B 655 2.162 -11.093 -7.085 1.00 0.00 H new ATOM 0 HD1 TRP B 655 -1.351 -9.827 -7.484 1.00 0.00 H new ATOM 0 HE1 TRP B 655 -2.313 -9.041 -5.216 1.00 0.00 H new ATOM 0 HE3 TRP B 655 2.987 -9.852 -4.782 1.00 0.00 H new ATOM 0 HZ2 TRP B 655 -1.314 -8.520 -2.638 1.00 0.00 H new ATOM 0 HZ3 TRP B 655 2.905 -9.191 -2.411 1.00 0.00 H new ATOM 0 HH2 TRP B 655 0.780 -8.542 -1.353 1.00 0.00 H new ATOM 2014 N GLN B 656 4.441 -9.436 -6.830 1.00 0.00 N ATOM 2015 CA GLN B 656 5.456 -9.075 -5.847 1.00 0.00 C ATOM 2016 C GLN B 656 5.964 -7.657 -6.084 1.00 0.00 C ATOM 2017 O GLN B 656 5.917 -6.812 -5.191 1.00 0.00 O ATOM 2018 CB GLN B 656 6.622 -10.064 -5.900 1.00 0.00 C ATOM 2019 CG GLN B 656 6.395 -11.317 -5.068 1.00 0.00 C ATOM 2020 CD GLN B 656 7.524 -11.580 -4.092 1.00 0.00 C ATOM 2021 OE1 GLN B 656 7.851 -10.732 -3.260 1.00 0.00 O ATOM 2022 NE2 GLN B 656 8.126 -12.759 -4.186 1.00 0.00 N ATOM 0 H GLN B 656 4.648 -10.284 -7.358 1.00 0.00 H new ATOM 0 HA GLN B 656 4.999 -9.116 -4.858 1.00 0.00 H new ATOM 0 HB2 GLN B 656 6.796 -10.353 -6.937 1.00 0.00 H new ATOM 0 HB3 GLN B 656 7.527 -9.566 -5.552 1.00 0.00 H new ATOM 0 HG2 GLN B 656 5.459 -11.219 -4.518 1.00 0.00 H new ATOM 0 HG3 GLN B 656 6.286 -12.175 -5.732 1.00 0.00 H new ATOM 0 HE21 GLN B 656 7.823 -13.432 -4.890 1.00 0.00 H new ATOM 0 HE22 GLN B 656 8.892 -12.992 -3.554 1.00 0.00 H new ATOM 2029 N ALA B 657 6.451 -7.403 -7.295 1.00 0.00 N ATOM 2030 CA ALA B 657 6.966 -6.087 -7.650 1.00 0.00 C ATOM 2031 C ALA B 657 5.856 -5.042 -7.645 1.00 0.00 C ATOM 2032 O ALA B 657 6.037 -3.934 -7.140 1.00 0.00 O ATOM 2033 CB ALA B 657 7.641 -6.135 -9.013 1.00 0.00 C ATOM 0 H ALA B 657 6.499 -8.092 -8.046 1.00 0.00 H new ATOM 0 HA ALA B 657 7.703 -5.799 -6.900 1.00 0.00 H new ATOM 0 HB1 ALA B 657 8.021 -5.145 -9.266 1.00 0.00 H new ATOM 0 HB2 ALA B 657 8.468 -6.845 -8.985 1.00 0.00 H new ATOM 0 HB3 ALA B 657 6.918 -6.449 -9.766 1.00 0.00 H new ATOM 2039 N GLN B 658 4.708 -5.402 -8.208 1.00 0.00 N ATOM 2040 CA GLN B 658 3.568 -4.494 -8.269 1.00 0.00 C ATOM 2041 C GLN B 658 3.185 -4.009 -6.875 1.00 0.00 C ATOM 2042 O GLN B 658 3.072 -2.807 -6.635 1.00 0.00 O ATOM 2043 CB GLN B 658 2.373 -5.185 -8.928 1.00 0.00 C ATOM 2044 CG GLN B 658 2.335 -5.023 -10.439 1.00 0.00 C ATOM 2045 CD GLN B 658 1.008 -5.446 -11.038 1.00 0.00 C ATOM 2046 OE1 GLN B 658 0.103 -4.629 -11.208 1.00 0.00 O ATOM 2047 NE2 GLN B 658 0.886 -6.728 -11.362 1.00 0.00 N ATOM 0 H GLN B 658 4.542 -6.316 -8.629 1.00 0.00 H new ATOM 0 HA GLN B 658 3.855 -3.630 -8.869 1.00 0.00 H new ATOM 0 HB2 GLN B 658 2.399 -6.247 -8.685 1.00 0.00 H new ATOM 0 HB3 GLN B 658 1.452 -4.783 -8.504 1.00 0.00 H new ATOM 0 HG2 GLN B 658 2.529 -3.981 -10.694 1.00 0.00 H new ATOM 0 HG3 GLN B 658 3.135 -5.614 -10.884 1.00 0.00 H new ATOM 0 HE21 GLN B 658 1.662 -7.370 -11.203 1.00 0.00 H new ATOM 0 HE22 GLN B 658 0.016 -7.070 -11.769 1.00 0.00 H new ATOM 2054 N TRP B 659 2.986 -4.951 -5.959 1.00 0.00 N ATOM 2055 CA TRP B 659 2.614 -4.619 -4.589 1.00 0.00 C ATOM 2056 C TRP B 659 3.577 -3.594 -3.997 1.00 0.00 C ATOM 2057 O TRP B 659 3.162 -2.527 -3.547 1.00 0.00 O ATOM 2058 CB TRP B 659 2.597 -5.880 -3.724 1.00 0.00 C ATOM 2059 CG TRP B 659 2.146 -5.628 -2.317 1.00 0.00 C ATOM 2060 CD1 TRP B 659 2.942 -5.426 -1.225 1.00 0.00 C ATOM 2061 CD2 TRP B 659 0.795 -5.554 -1.850 1.00 0.00 C ATOM 2062 NE1 TRP B 659 2.166 -5.231 -0.108 1.00 0.00 N ATOM 2063 CE2 TRP B 659 0.845 -5.304 -0.464 1.00 0.00 C ATOM 2064 CE3 TRP B 659 -0.453 -5.673 -2.467 1.00 0.00 C ATOM 2065 CZ2 TRP B 659 -0.303 -5.172 0.311 1.00 0.00 C ATOM 2066 CZ3 TRP B 659 -1.593 -5.543 -1.697 1.00 0.00 C ATOM 2067 CH2 TRP B 659 -1.512 -5.293 -0.320 1.00 0.00 C ATOM 0 H TRP B 659 3.076 -5.951 -6.141 1.00 0.00 H new ATOM 0 HA TRP B 659 1.615 -4.184 -4.605 1.00 0.00 H new ATOM 0 HB2 TRP B 659 1.939 -6.618 -4.183 1.00 0.00 H new ATOM 0 HB3 TRP B 659 3.597 -6.313 -3.706 1.00 0.00 H new ATOM 0 HD1 TRP B 659 4.022 -5.420 -1.238 1.00 0.00 H new ATOM 0 HE1 TRP B 659 2.517 -5.060 0.834 1.00 0.00 H new ATOM 0 HE3 TRP B 659 -0.525 -5.863 -3.528 1.00 0.00 H new ATOM 0 HZ2 TRP B 659 -0.243 -4.981 1.372 1.00 0.00 H new ATOM 0 HZ3 TRP B 659 -2.563 -5.636 -2.164 1.00 0.00 H new ATOM 0 HH2 TRP B 659 -2.421 -5.194 0.254 1.00 0.00 H new ATOM 2077 N ASN B 660 4.864 -3.926 -4.002 1.00 0.00 N ATOM 2078 CA ASN B 660 5.886 -3.034 -3.465 1.00 0.00 C ATOM 2079 C ASN B 660 5.755 -1.636 -4.063 1.00 0.00 C ATOM 2080 O ASN B 660 5.763 -0.640 -3.342 1.00 0.00 O ATOM 2081 CB ASN B 660 7.281 -3.594 -3.747 1.00 0.00 C ATOM 2082 CG ASN B 660 8.053 -3.890 -2.475 1.00 0.00 C ATOM 2083 OD1 ASN B 660 8.979 -3.163 -2.116 1.00 0.00 O ATOM 2084 ND2 ASN B 660 7.673 -4.961 -1.788 1.00 0.00 N ATOM 0 H ASN B 660 5.224 -4.806 -4.372 1.00 0.00 H new ATOM 0 HA ASN B 660 5.742 -2.964 -2.387 1.00 0.00 H new ATOM 0 HB2 ASN B 660 7.191 -4.507 -4.335 1.00 0.00 H new ATOM 0 HB3 ASN B 660 7.841 -2.880 -4.351 1.00 0.00 H new ATOM 0 HD21 ASN B 660 8.155 -5.210 -0.924 1.00 0.00 H new ATOM 0 HD22 ASN B 660 6.899 -5.535 -2.124 1.00 0.00 H new ATOM 2090 N GLN B 661 5.637 -1.573 -5.385 1.00 0.00 N ATOM 2091 CA GLN B 661 5.506 -0.297 -6.079 1.00 0.00 C ATOM 2092 C GLN B 661 4.259 0.449 -5.616 1.00 0.00 C ATOM 2093 O GLN B 661 4.244 1.678 -5.558 1.00 0.00 O ATOM 2094 CB GLN B 661 5.448 -0.520 -7.592 1.00 0.00 C ATOM 2095 CG GLN B 661 6.774 -0.961 -8.193 1.00 0.00 C ATOM 2096 CD GLN B 661 7.714 0.201 -8.446 1.00 0.00 C ATOM 2097 OE1 GLN B 661 7.284 1.293 -8.820 1.00 0.00 O ATOM 2098 NE2 GLN B 661 9.006 -0.028 -8.245 1.00 0.00 N ATOM 0 H GLN B 661 5.629 -2.389 -5.997 1.00 0.00 H new ATOM 0 HA GLN B 661 6.380 0.309 -5.840 1.00 0.00 H new ATOM 0 HB2 GLN B 661 4.691 -1.273 -7.811 1.00 0.00 H new ATOM 0 HB3 GLN B 661 5.129 0.403 -8.075 1.00 0.00 H new ATOM 0 HG2 GLN B 661 7.254 -1.673 -7.521 1.00 0.00 H new ATOM 0 HG3 GLN B 661 6.588 -1.484 -9.131 1.00 0.00 H new ATOM 0 HE21 GLN B 661 9.319 -0.948 -7.935 1.00 0.00 H new ATOM 0 HE22 GLN B 661 9.686 0.716 -8.401 1.00 0.00 H new ATOM 2105 N ALA B 662 3.213 -0.303 -5.287 1.00 0.00 N ATOM 2106 CA ALA B 662 1.962 0.288 -4.827 1.00 0.00 C ATOM 2107 C ALA B 662 2.133 0.941 -3.459 1.00 0.00 C ATOM 2108 O ALA B 662 1.825 2.118 -3.280 1.00 0.00 O ATOM 2109 CB ALA B 662 0.868 -0.767 -4.777 1.00 0.00 C ATOM 0 H ALA B 662 3.207 -1.322 -5.331 1.00 0.00 H new ATOM 0 HA ALA B 662 1.672 1.063 -5.536 1.00 0.00 H new ATOM 0 HB1 ALA B 662 -0.061 -0.312 -4.432 1.00 0.00 H new ATOM 0 HB2 ALA B 662 0.719 -1.185 -5.773 1.00 0.00 H new ATOM 0 HB3 ALA B 662 1.160 -1.562 -4.090 1.00 0.00 H new ATOM 2115 N MET B 663 2.626 0.167 -2.498 1.00 0.00 N ATOM 2116 CA MET B 663 2.838 0.672 -1.146 1.00 0.00 C ATOM 2117 C MET B 663 3.834 1.826 -1.147 1.00 0.00 C ATOM 2118 O MET B 663 3.733 2.745 -0.333 1.00 0.00 O ATOM 2119 CB MET B 663 3.340 -0.450 -0.233 1.00 0.00 C ATOM 2120 CG MET B 663 2.532 -1.732 -0.345 1.00 0.00 C ATOM 2121 SD MET B 663 0.774 -1.474 -0.038 1.00 0.00 S ATOM 2122 CE MET B 663 0.794 -1.030 1.697 1.00 0.00 C ATOM 0 H MET B 663 2.886 -0.811 -2.630 1.00 0.00 H new ATOM 0 HA MET B 663 1.884 1.039 -0.768 1.00 0.00 H new ATOM 0 HB2 MET B 663 4.381 -0.664 -0.473 1.00 0.00 H new ATOM 0 HB3 MET B 663 3.316 -0.104 0.800 1.00 0.00 H new ATOM 0 HG2 MET B 663 2.665 -2.155 -1.341 1.00 0.00 H new ATOM 0 HG3 MET B 663 2.918 -2.463 0.366 1.00 0.00 H new ATOM 0 HE1 MET B 663 0.185 -1.737 2.261 1.00 0.00 H new ATOM 0 HE2 MET B 663 1.819 -1.057 2.068 1.00 0.00 H new ATOM 0 HE3 MET B 663 0.390 -0.025 1.820 1.00 0.00 H new ATOM 2130 N GLU B 664 4.795 1.774 -2.064 1.00 0.00 N ATOM 2131 CA GLU B 664 5.809 2.816 -2.168 1.00 0.00 C ATOM 2132 C GLU B 664 5.167 4.176 -2.428 1.00 0.00 C ATOM 2133 O GLU B 664 5.377 5.127 -1.675 1.00 0.00 O ATOM 2134 CB GLU B 664 6.800 2.485 -3.287 1.00 0.00 C ATOM 2135 CG GLU B 664 7.998 3.417 -3.335 1.00 0.00 C ATOM 2136 CD GLU B 664 9.192 2.798 -4.035 1.00 0.00 C ATOM 2137 OE1 GLU B 664 9.139 2.644 -5.273 1.00 0.00 O ATOM 2138 OE2 GLU B 664 10.178 2.467 -3.345 1.00 0.00 O ATOM 0 H GLU B 664 4.892 1.021 -2.745 1.00 0.00 H new ATOM 0 HA GLU B 664 6.345 2.862 -1.220 1.00 0.00 H new ATOM 0 HB2 GLU B 664 7.152 1.461 -3.158 1.00 0.00 H new ATOM 0 HB3 GLU B 664 6.281 2.525 -4.244 1.00 0.00 H new ATOM 0 HG2 GLU B 664 7.717 4.337 -3.848 1.00 0.00 H new ATOM 0 HG3 GLU B 664 8.280 3.692 -2.319 1.00 0.00 H new ATOM 2143 N ASP B 665 4.385 4.259 -3.498 1.00 0.00 N ATOM 2144 CA ASP B 665 3.711 5.502 -3.858 1.00 0.00 C ATOM 2145 C ASP B 665 2.519 5.757 -2.942 1.00 0.00 C ATOM 2146 O ASP B 665 2.134 6.905 -2.711 1.00 0.00 O ATOM 2147 CB ASP B 665 3.249 5.453 -5.314 1.00 0.00 C ATOM 2148 CG ASP B 665 2.658 6.770 -5.779 1.00 0.00 C ATOM 2149 OD1 ASP B 665 2.882 7.793 -5.099 1.00 0.00 O ATOM 2150 OD2 ASP B 665 1.970 6.776 -6.822 1.00 0.00 O ATOM 0 H ASP B 665 4.202 3.481 -4.132 1.00 0.00 H new ATOM 0 HA ASP B 665 4.421 6.320 -3.738 1.00 0.00 H new ATOM 0 HB2 ASP B 665 4.094 5.192 -5.952 1.00 0.00 H new ATOM 0 HB3 ASP B 665 2.506 4.664 -5.430 1.00 0.00 H new ATOM 2154 N LEU B 666 1.935 4.682 -2.423 1.00 0.00 N ATOM 2155 CA LEU B 666 0.785 4.791 -1.533 1.00 0.00 C ATOM 2156 C LEU B 666 1.178 5.446 -0.212 1.00 0.00 C ATOM 2157 O LEU B 666 0.517 6.374 0.253 1.00 0.00 O ATOM 2158 CB LEU B 666 0.187 3.408 -1.270 1.00 0.00 C ATOM 2159 CG LEU B 666 -0.770 3.304 -0.082 1.00 0.00 C ATOM 2160 CD1 LEU B 666 -2.168 2.937 -0.552 1.00 0.00 C ATOM 2161 CD2 LEU B 666 -0.260 2.284 0.926 1.00 0.00 C ATOM 0 H LEU B 666 2.239 3.725 -2.603 1.00 0.00 H new ATOM 0 HA LEU B 666 0.038 5.418 -2.020 1.00 0.00 H new ATOM 0 HB2 LEU B 666 -0.343 3.087 -2.167 1.00 0.00 H new ATOM 0 HB3 LEU B 666 1.005 2.704 -1.114 1.00 0.00 H new ATOM 0 HG LEU B 666 -0.817 4.277 0.407 1.00 0.00 H new ATOM 0 HD11 LEU B 666 -2.834 2.868 0.308 1.00 0.00 H new ATOM 0 HD12 LEU B 666 -2.535 3.703 -1.235 1.00 0.00 H new ATOM 0 HD13 LEU B 666 -2.138 1.976 -1.066 1.00 0.00 H new ATOM 0 HD21 LEU B 666 -0.953 2.223 1.765 1.00 0.00 H new ATOM 0 HD22 LEU B 666 -0.182 1.308 0.448 1.00 0.00 H new ATOM 0 HD23 LEU B 666 0.722 2.590 1.288 1.00 0.00 H new ATOM 2172 N VAL B 667 2.260 4.957 0.387 1.00 0.00 N ATOM 2173 CA VAL B 667 2.743 5.497 1.652 1.00 0.00 C ATOM 2174 C VAL B 667 3.399 6.858 1.453 1.00 0.00 C ATOM 2175 O VAL B 667 3.362 7.712 2.340 1.00 0.00 O ATOM 2176 CB VAL B 667 3.753 4.545 2.319 1.00 0.00 C ATOM 2177 CG1 VAL B 667 3.159 3.152 2.464 1.00 0.00 C ATOM 2178 CG2 VAL B 667 5.048 4.500 1.522 1.00 0.00 C ATOM 0 H VAL B 667 2.818 4.188 0.016 1.00 0.00 H new ATOM 0 HA VAL B 667 1.875 5.607 2.302 1.00 0.00 H new ATOM 0 HB VAL B 667 3.979 4.923 3.316 1.00 0.00 H new ATOM 0 HG11 VAL B 667 3.887 2.493 2.937 1.00 0.00 H new ATOM 0 HG12 VAL B 667 2.261 3.202 3.080 1.00 0.00 H new ATOM 0 HG13 VAL B 667 2.903 2.761 1.479 1.00 0.00 H new ATOM 0 HG21 VAL B 667 5.751 3.823 2.007 1.00 0.00 H new ATOM 0 HG22 VAL B 667 4.841 4.146 0.512 1.00 0.00 H new ATOM 0 HG23 VAL B 667 5.481 5.499 1.475 1.00 0.00 H new ATOM 2188 N ARG B 668 3.999 7.055 0.283 1.00 0.00 N ATOM 2189 CA ARG B 668 4.663 8.314 -0.032 1.00 0.00 C ATOM 2190 C ARG B 668 3.645 9.434 -0.225 1.00 0.00 C ATOM 2191 O ARG B 668 3.858 10.562 0.218 1.00 0.00 O ATOM 2192 CB ARG B 668 5.516 8.163 -1.293 1.00 0.00 C ATOM 2193 CG ARG B 668 6.949 7.742 -1.012 1.00 0.00 C ATOM 2194 CD ARG B 668 7.885 8.173 -2.130 1.00 0.00 C ATOM 2195 NE ARG B 668 9.082 8.835 -1.617 1.00 0.00 N ATOM 2196 CZ ARG B 668 9.981 9.432 -2.392 1.00 0.00 C ATOM 2197 NH1 ARG B 668 9.821 9.448 -3.707 1.00 0.00 N ATOM 2198 NH2 ARG B 668 11.044 10.013 -1.851 1.00 0.00 N ATOM 0 H ARG B 668 4.039 6.359 -0.462 1.00 0.00 H new ATOM 0 HA ARG B 668 5.308 8.575 0.807 1.00 0.00 H new ATOM 0 HB2 ARG B 668 5.052 7.427 -1.949 1.00 0.00 H new ATOM 0 HB3 ARG B 668 5.524 9.110 -1.832 1.00 0.00 H new ATOM 0 HG2 ARG B 668 7.280 8.179 -0.070 1.00 0.00 H new ATOM 0 HG3 ARG B 668 6.995 6.659 -0.894 1.00 0.00 H new ATOM 0 HD2 ARG B 668 8.176 7.301 -2.716 1.00 0.00 H new ATOM 0 HD3 ARG B 668 7.358 8.848 -2.804 1.00 0.00 H new ATOM 0 HE ARG B 668 9.236 8.839 -0.609 1.00 0.00 H new ATOM 0 HH11 ARG B 668 9.006 9.001 -4.127 1.00 0.00 H new ATOM 0 HH12 ARG B 668 10.513 9.907 -4.299 1.00 0.00 H new ATOM 0 HH21 ARG B 668 11.172 10.002 -0.839 1.00 0.00 H new ATOM 0 HH22 ARG B 668 11.734 10.471 -2.447 1.00 0.00 H new ATOM 2209 N ALA B 669 2.539 9.113 -0.889 1.00 0.00 N ATOM 2210 CA ALA B 669 1.488 10.092 -1.138 1.00 0.00 C ATOM 2211 C ALA B 669 0.991 10.709 0.164 1.00 0.00 C ATOM 2212 O ALA B 669 0.942 11.931 0.303 1.00 0.00 O ATOM 2213 CB ALA B 669 0.335 9.445 -1.891 1.00 0.00 C ATOM 0 H ALA B 669 2.348 8.184 -1.264 1.00 0.00 H new ATOM 0 HA ALA B 669 1.907 10.891 -1.750 1.00 0.00 H new ATOM 0 HB1 ALA B 669 -0.444 10.186 -2.071 1.00 0.00 H new ATOM 0 HB2 ALA B 669 0.695 9.058 -2.844 1.00 0.00 H new ATOM 0 HB3 ALA B 669 -0.073 8.627 -1.298 1.00 0.00 H new ATOM 2219 N TYR B 670 0.624 9.858 1.115 1.00 0.00 N ATOM 2220 CA TYR B 670 0.129 10.320 2.406 1.00 0.00 C ATOM 2221 C TYR B 670 1.174 11.174 3.117 1.00 0.00 C ATOM 2222 O TYR B 670 0.838 12.105 3.849 1.00 0.00 O ATOM 2223 CB TYR B 670 -0.257 9.129 3.285 1.00 0.00 C ATOM 2224 CG TYR B 670 -0.587 9.510 4.710 1.00 0.00 C ATOM 2225 CD1 TYR B 670 0.408 9.602 5.674 1.00 0.00 C ATOM 2226 CD2 TYR B 670 -1.896 9.778 5.092 1.00 0.00 C ATOM 2227 CE1 TYR B 670 0.111 9.949 6.978 1.00 0.00 C ATOM 2228 CE2 TYR B 670 -2.203 10.128 6.393 1.00 0.00 C ATOM 2229 CZ TYR B 670 -1.196 10.212 7.332 1.00 0.00 C ATOM 2230 OH TYR B 670 -1.497 10.559 8.629 1.00 0.00 O ATOM 0 H TYR B 670 0.660 8.843 1.016 1.00 0.00 H new ATOM 0 HA TYR B 670 -0.755 10.933 2.228 1.00 0.00 H new ATOM 0 HB2 TYR B 670 -1.118 8.626 2.844 1.00 0.00 H new ATOM 0 HB3 TYR B 670 0.563 8.411 3.290 1.00 0.00 H new ATOM 0 HD1 TYR B 670 1.433 9.399 5.400 1.00 0.00 H new ATOM 0 HD2 TYR B 670 -2.687 9.712 4.360 1.00 0.00 H new ATOM 0 HE1 TYR B 670 0.897 10.014 7.716 1.00 0.00 H new ATOM 0 HE2 TYR B 670 -3.225 10.335 6.673 1.00 0.00 H new ATOM 0 HH TYR B 670 -2.461 10.712 8.711 1.00 0.00 H new ATOM 2239 N HIS B 671 2.444 10.850 2.894 1.00 0.00 N ATOM 2240 CA HIS B 671 3.540 11.588 3.511 1.00 0.00 C ATOM 2241 C HIS B 671 3.602 13.017 2.980 1.00 0.00 C ATOM 2242 O HIS B 671 4.097 13.919 3.655 1.00 0.00 O ATOM 2243 CB HIS B 671 4.869 10.878 3.253 1.00 0.00 C ATOM 2244 CG HIS B 671 6.043 11.552 3.895 1.00 0.00 C ATOM 2245 ND1 HIS B 671 6.347 11.421 5.234 1.00 0.00 N ATOM 2246 CD2 HIS B 671 6.992 12.364 3.373 1.00 0.00 C ATOM 2247 CE1 HIS B 671 7.429 12.126 5.508 1.00 0.00 C ATOM 2248 NE2 HIS B 671 7.841 12.707 4.396 1.00 0.00 N ATOM 0 H HIS B 671 2.739 10.082 2.291 1.00 0.00 H new ATOM 0 HA HIS B 671 3.359 11.627 4.585 1.00 0.00 H new ATOM 0 HB2 HIS B 671 4.802 9.854 3.621 1.00 0.00 H new ATOM 0 HB3 HIS B 671 5.037 10.819 2.178 1.00 0.00 H new ATOM 0 HD2 HIS B 671 7.067 12.683 2.344 1.00 0.00 H new ATOM 0 HE1 HIS B 671 7.898 12.213 6.477 1.00 0.00 H new ATOM 0 HE2 HIS B 671 8.658 13.312 4.311 1.00 0.00 H new ATOM 2255 N ALA B 672 3.096 13.213 1.767 1.00 0.00 N ATOM 2256 CA ALA B 672 3.092 14.533 1.146 1.00 0.00 C ATOM 2257 C ALA B 672 2.456 15.570 2.065 1.00 0.00 C ATOM 2258 O ALA B 672 3.030 16.631 2.309 1.00 0.00 O ATOM 2259 CB ALA B 672 2.360 14.486 -0.188 1.00 0.00 C ATOM 0 H ALA B 672 2.684 12.476 1.195 1.00 0.00 H new ATOM 0 HA ALA B 672 4.126 14.828 0.970 1.00 0.00 H new ATOM 0 HB1 ALA B 672 2.364 15.478 -0.641 1.00 0.00 H new ATOM 0 HB2 ALA B 672 2.860 13.781 -0.853 1.00 0.00 H new ATOM 0 HB3 ALA B 672 1.331 14.165 -0.027 1.00 0.00 H new ATOM 2265 N MET B 673 1.268 15.256 2.572 1.00 0.00 N ATOM 2266 CA MET B 673 0.555 16.163 3.463 1.00 0.00 C ATOM 2267 C MET B 673 1.271 16.280 4.806 1.00 0.00 C ATOM 2268 O MET B 673 1.239 17.329 5.448 1.00 0.00 O ATOM 2269 CB MET B 673 -0.879 15.677 3.680 1.00 0.00 C ATOM 2270 CG MET B 673 -1.766 16.691 4.385 1.00 0.00 C ATOM 2271 SD MET B 673 -2.339 16.113 5.993 1.00 0.00 S ATOM 2272 CE MET B 673 -3.275 14.662 5.518 1.00 0.00 C ATOM 0 H MET B 673 0.780 14.381 2.381 1.00 0.00 H new ATOM 0 HA MET B 673 0.531 17.147 2.995 1.00 0.00 H new ATOM 0 HB2 MET B 673 -1.320 15.430 2.714 1.00 0.00 H new ATOM 0 HB3 MET B 673 -0.857 14.757 4.265 1.00 0.00 H new ATOM 0 HG2 MET B 673 -1.215 17.623 4.513 1.00 0.00 H new ATOM 0 HG3 MET B 673 -2.627 16.914 3.755 1.00 0.00 H new ATOM 0 HE1 MET B 673 -4.053 14.473 6.257 1.00 0.00 H new ATOM 0 HE2 MET B 673 -3.733 14.828 4.543 1.00 0.00 H new ATOM 0 HE3 MET B 673 -2.609 13.801 5.464 1.00 0.00 H new