USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 75 ASN : amide:sc= -1.83 K(o=-2.8,f=-3.6) USER MOD Set 1.2: B 648 THR OG1 : rot -30:sc= -0.996 USER MOD Set 2.1: A 25 MET CE :methyl -156:sc= -3.59 (180deg=-6.5!) USER MOD Set 2.2: B 663 MET CE :methyl -116:sc= -2.13! (180deg=-2.57!) USER MOD Single : A 21 LYS NZ :NH3+ 149:sc= 0 (180deg=-0.252) USER MOD Single : A 27 HIS : no HD1:sc= -0.399 K(o=-0.4,f=-1.4) USER MOD Single : A 28 THR OG1 : rot 68:sc= -0.671 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 52 GLN : amide:sc= -0.271 K(o=-0.27,f=-1.5!) USER MOD Single : A 55 HIS :FLIP no HD1:sc= -0.164 F(o=-1,f=-0.16) USER MOD Single : A 64 LYS NZ :NH3+ -149:sc= -0.095 (180deg=-0.696) USER MOD Single : A 66 ASN : amide:sc= -0.7 K(o=-0.7,f=-3.9!) USER MOD Single : A 67 THR OG1 : rot 84:sc= 0.912 USER MOD Single : A 73 GLN : amide:sc= -0.449 K(o=-0.45,f=-1.7!) USER MOD Single : B 622 TYR OH : rot 180:sc= 0 USER MOD Single : B 625 THR OG1 : rot 180:sc= 0 USER MOD Single : B 627 GLN : amide:sc= -0.666 K(o=-0.67,f=-4.1!) USER MOD Single : B 628 SER OG : rot 180:sc= 0 USER MOD Single : B 637 GLN : amide:sc= -1.21 X(o=-1.2,f=-1.3) USER MOD Single : B 641 GLN : amide:sc= -0.766 K(o=-0.77,f=-2.3!) USER MOD Single : B 642 SER OG : rot 180:sc= 0 USER MOD Single : B 645 GLN : amide:sc= 0.0611 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= -1.18 K(o=-1.2,f=-2.3!) USER MOD Single : B 656 GLN : amide:sc= 0 X(o=0,f=-0.084) USER MOD Single : B 658 GLN : amide:sc= -2.52! C(o=-2.5!,f=-2.5!) USER MOD Single : B 660 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 661 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 670 TYR OH : rot 180:sc= -0.0296 USER MOD Single : B 671 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 673 MET CE :methyl -163:sc=-0.00513 (180deg=-0.136) USER MOD ----------------------------------------------------------------- ATOM 222 N ALA A 17 -6.451 -16.618 6.754 1.00 0.00 N ATOM 223 CA ALA A 17 -5.675 -15.572 7.409 1.00 0.00 C ATOM 224 C ALA A 17 -5.407 -14.410 6.458 1.00 0.00 C ATOM 225 O ALA A 17 -5.264 -13.265 6.887 1.00 0.00 O ATOM 226 CB ALA A 17 -4.365 -16.139 7.935 1.00 0.00 C ATOM 0 HA ALA A 17 -6.258 -15.193 8.249 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.795 -15.347 8.422 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -4.574 -16.931 8.655 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -3.786 -16.546 7.106 1.00 0.00 H new ATOM 232 N PHE A 18 -5.340 -14.713 5.166 1.00 0.00 N ATOM 233 CA PHE A 18 -5.088 -13.693 4.155 1.00 0.00 C ATOM 234 C PHE A 18 -6.278 -12.747 4.026 1.00 0.00 C ATOM 235 O PHE A 18 -6.123 -11.528 4.068 1.00 0.00 O ATOM 236 CB PHE A 18 -4.793 -14.347 2.803 1.00 0.00 C ATOM 237 CG PHE A 18 -4.328 -13.376 1.755 1.00 0.00 C ATOM 238 CD1 PHE A 18 -5.241 -12.736 0.931 1.00 0.00 C ATOM 239 CD2 PHE A 18 -2.980 -13.103 1.594 1.00 0.00 C ATOM 240 CE1 PHE A 18 -4.816 -11.843 -0.033 1.00 0.00 C ATOM 241 CE2 PHE A 18 -2.549 -12.210 0.631 1.00 0.00 C ATOM 242 CZ PHE A 18 -3.469 -11.579 -0.183 1.00 0.00 C ATOM 0 H PHE A 18 -5.457 -15.656 4.795 1.00 0.00 H new ATOM 0 HA PHE A 18 -4.219 -13.114 4.469 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.031 -15.115 2.939 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.693 -14.849 2.448 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -6.296 -12.938 1.044 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.257 -13.594 2.228 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.537 -11.351 -0.669 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.495 -12.006 0.515 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.135 -10.880 -0.936 1.00 0.00 H new ATOM 251 N ALA A 19 -7.466 -13.320 3.868 1.00 0.00 N ATOM 252 CA ALA A 19 -8.684 -12.530 3.735 1.00 0.00 C ATOM 253 C ALA A 19 -8.815 -11.526 4.875 1.00 0.00 C ATOM 254 O ALA A 19 -9.176 -10.370 4.659 1.00 0.00 O ATOM 255 CB ALA A 19 -9.903 -13.441 3.690 1.00 0.00 C ATOM 0 H ALA A 19 -7.611 -14.329 3.829 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.625 -11.973 2.800 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -10.805 -12.837 3.591 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -9.822 -14.115 2.838 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -9.956 -14.024 4.610 1.00 0.00 H new ATOM 261 N ALA A 20 -8.517 -11.976 6.091 1.00 0.00 N ATOM 262 CA ALA A 20 -8.600 -11.116 7.265 1.00 0.00 C ATOM 263 C ALA A 20 -7.752 -9.860 7.087 1.00 0.00 C ATOM 264 O ALA A 20 -8.186 -8.754 7.409 1.00 0.00 O ATOM 265 CB ALA A 20 -8.166 -11.877 8.509 1.00 0.00 C ATOM 0 H ALA A 20 -8.216 -12.931 6.288 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.638 -10.807 7.386 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.233 -11.222 9.378 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.817 -12.739 8.653 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -7.137 -12.215 8.388 1.00 0.00 H new ATOM 271 N LYS A 21 -6.539 -10.040 6.573 1.00 0.00 N ATOM 272 CA LYS A 21 -5.629 -8.922 6.351 1.00 0.00 C ATOM 273 C LYS A 21 -6.107 -8.052 5.193 1.00 0.00 C ATOM 274 O LYS A 21 -6.002 -6.828 5.240 1.00 0.00 O ATOM 275 CB LYS A 21 -4.217 -9.438 6.068 1.00 0.00 C ATOM 276 CG LYS A 21 -3.662 -10.330 7.165 1.00 0.00 C ATOM 277 CD LYS A 21 -2.290 -9.864 7.622 1.00 0.00 C ATOM 278 CE LYS A 21 -2.390 -8.901 8.795 1.00 0.00 C ATOM 279 NZ LYS A 21 -1.368 -9.191 9.839 1.00 0.00 N ATOM 0 H LYS A 21 -6.164 -10.949 6.303 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.613 -8.313 7.255 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.224 -9.992 5.130 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.549 -8.587 5.931 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.347 -10.334 8.013 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.597 -11.356 6.803 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.688 -10.727 7.909 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.775 -9.378 6.793 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.264 -7.879 8.438 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.386 -8.965 9.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.097 -8.307 10.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.763 -9.853 10.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.529 -9.616 9.395 1.00 0.00 H new ATOM 289 N ALA A 22 -6.633 -8.695 4.155 1.00 0.00 N ATOM 290 CA ALA A 22 -7.130 -7.979 2.987 1.00 0.00 C ATOM 291 C ALA A 22 -8.253 -7.020 3.367 1.00 0.00 C ATOM 292 O ALA A 22 -8.231 -5.846 2.999 1.00 0.00 O ATOM 293 CB ALA A 22 -7.610 -8.962 1.930 1.00 0.00 C ATOM 0 H ALA A 22 -6.726 -9.709 4.100 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.309 -7.392 2.576 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.978 -8.413 1.063 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.783 -9.604 1.628 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.413 -9.574 2.340 1.00 0.00 H new ATOM 299 N GLY A 23 -9.234 -7.527 4.106 1.00 0.00 N ATOM 300 CA GLY A 23 -10.353 -6.702 4.523 1.00 0.00 C ATOM 301 C GLY A 23 -9.957 -5.671 5.561 1.00 0.00 C ATOM 302 O GLY A 23 -10.528 -4.580 5.615 1.00 0.00 O ATOM 0 H GLY A 23 -9.274 -8.495 4.424 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.771 -6.195 3.653 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.139 -7.339 4.929 1.00 0.00 H new ATOM 306 N LEU A 24 -8.976 -6.014 6.390 1.00 0.00 N ATOM 307 CA LEU A 24 -8.505 -5.111 7.434 1.00 0.00 C ATOM 308 C LEU A 24 -7.650 -3.994 6.843 1.00 0.00 C ATOM 309 O LEU A 24 -7.547 -2.909 7.413 1.00 0.00 O ATOM 310 CB LEU A 24 -7.702 -5.884 8.481 1.00 0.00 C ATOM 311 CG LEU A 24 -7.436 -5.153 9.797 1.00 0.00 C ATOM 312 CD1 LEU A 24 -8.365 -5.662 10.889 1.00 0.00 C ATOM 313 CD2 LEU A 24 -5.981 -5.316 10.213 1.00 0.00 C ATOM 0 H LEU A 24 -8.492 -6.911 6.359 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.376 -4.663 7.912 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.231 -6.811 8.704 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.743 -6.161 8.042 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.634 -4.092 9.647 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.160 -5.130 11.818 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -9.401 -5.492 10.594 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -8.200 -6.729 11.038 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.810 -4.789 11.152 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.757 -6.374 10.345 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.333 -4.901 9.441 1.00 0.00 H new ATOM 324 N MET A 25 -7.040 -4.269 5.694 1.00 0.00 N ATOM 325 CA MET A 25 -6.196 -3.287 5.023 1.00 0.00 C ATOM 326 C MET A 25 -6.992 -2.031 4.680 1.00 0.00 C ATOM 327 O MET A 25 -6.653 -0.931 5.116 1.00 0.00 O ATOM 328 CB MET A 25 -5.591 -3.885 3.752 1.00 0.00 C ATOM 329 CG MET A 25 -4.879 -2.865 2.880 1.00 0.00 C ATOM 330 SD MET A 25 -3.303 -3.472 2.247 1.00 0.00 S ATOM 331 CE MET A 25 -2.174 -2.832 3.482 1.00 0.00 C ATOM 0 H MET A 25 -7.115 -5.163 5.209 1.00 0.00 H new ATOM 0 HA MET A 25 -5.391 -3.011 5.704 1.00 0.00 H new ATOM 0 HB2 MET A 25 -4.886 -4.669 4.029 1.00 0.00 H new ATOM 0 HB3 MET A 25 -6.382 -4.358 3.171 1.00 0.00 H new ATOM 0 HG2 MET A 25 -5.523 -2.596 2.043 1.00 0.00 H new ATOM 0 HG3 MET A 25 -4.709 -1.956 3.456 1.00 0.00 H new ATOM 0 HE1 MET A 25 -1.178 -2.738 3.050 1.00 0.00 H new ATOM 0 HE2 MET A 25 -2.518 -1.854 3.818 1.00 0.00 H new ATOM 0 HE3 MET A 25 -2.138 -3.515 4.331 1.00 0.00 H new ATOM 339 N ARG A 26 -8.050 -2.203 3.894 1.00 0.00 N ATOM 340 CA ARG A 26 -8.892 -1.083 3.491 1.00 0.00 C ATOM 341 C ARG A 26 -9.345 -0.279 4.706 1.00 0.00 C ATOM 342 O ARG A 26 -9.407 0.950 4.661 1.00 0.00 O ATOM 343 CB ARG A 26 -10.111 -1.588 2.716 1.00 0.00 C ATOM 344 CG ARG A 26 -9.755 -2.422 1.496 1.00 0.00 C ATOM 345 CD ARG A 26 -10.979 -2.711 0.643 1.00 0.00 C ATOM 346 NE ARG A 26 -10.949 -4.058 0.079 1.00 0.00 N ATOM 347 CZ ARG A 26 -12.024 -4.686 -0.385 1.00 0.00 C ATOM 348 NH1 ARG A 26 -13.208 -4.091 -0.352 1.00 0.00 N ATOM 349 NH2 ARG A 26 -11.916 -5.911 -0.882 1.00 0.00 N ATOM 0 H ARG A 26 -8.344 -3.107 3.524 1.00 0.00 H new ATOM 0 HA ARG A 26 -8.303 -0.431 2.845 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -10.734 -2.183 3.383 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -10.709 -0.734 2.399 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -9.010 -1.896 0.899 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -9.303 -3.361 1.815 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -11.878 -2.591 1.247 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -11.038 -1.981 -0.165 1.00 0.00 H new ATOM 0 HE ARG A 26 -10.053 -4.544 0.039 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -13.295 -3.149 0.030 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -14.032 -4.575 -0.709 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -11.007 -6.372 -0.908 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -12.742 -6.392 -1.238 1.00 0.00 H new ATOM 360 N HIS A 27 -9.661 -0.981 5.789 1.00 0.00 N ATOM 361 CA HIS A 27 -10.109 -0.331 7.017 1.00 0.00 C ATOM 362 C HIS A 27 -9.073 0.673 7.509 1.00 0.00 C ATOM 363 O HIS A 27 -9.415 1.773 7.945 1.00 0.00 O ATOM 364 CB HIS A 27 -10.380 -1.375 8.101 1.00 0.00 C ATOM 365 CG HIS A 27 -10.667 -0.782 9.445 1.00 0.00 C ATOM 366 ND1 HIS A 27 -11.242 0.461 9.612 1.00 0.00 N ATOM 367 CD2 HIS A 27 -10.456 -1.266 10.691 1.00 0.00 C ATOM 368 CE1 HIS A 27 -11.372 0.714 10.902 1.00 0.00 C ATOM 369 NE2 HIS A 27 -10.902 -0.319 11.579 1.00 0.00 N ATOM 0 H HIS A 27 -9.616 -1.999 5.842 1.00 0.00 H new ATOM 0 HA HIS A 27 -11.033 0.205 6.800 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -11.226 -1.991 7.797 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -9.517 -2.036 8.181 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -10.018 -2.221 10.941 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -11.791 1.612 11.331 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -10.875 -0.400 12.595 1.00 0.00 H new ATOM 376 N THR A 28 -7.801 0.289 7.436 1.00 0.00 N ATOM 377 CA THR A 28 -6.715 1.155 7.877 1.00 0.00 C ATOM 378 C THR A 28 -6.529 2.331 6.925 1.00 0.00 C ATOM 379 O THR A 28 -6.318 3.464 7.358 1.00 0.00 O ATOM 380 CB THR A 28 -5.387 0.381 7.983 1.00 0.00 C ATOM 381 OG1 THR A 28 -5.569 -0.797 8.777 1.00 0.00 O ATOM 382 CG2 THR A 28 -4.301 1.250 8.598 1.00 0.00 C ATOM 0 H THR A 28 -7.499 -0.616 7.076 1.00 0.00 H new ATOM 0 HA THR A 28 -6.989 1.529 8.863 1.00 0.00 H new ATOM 0 HB THR A 28 -5.076 0.097 6.977 1.00 0.00 H new ATOM 0 HG1 THR A 28 -6.144 -1.429 8.297 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.373 0.682 8.662 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.144 2.131 7.976 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.606 1.561 9.597 1.00 0.00 H new ATOM 390 N ILE A 29 -6.610 2.054 5.628 1.00 0.00 N ATOM 391 CA ILE A 29 -6.452 3.091 4.615 1.00 0.00 C ATOM 392 C ILE A 29 -7.393 4.262 4.877 1.00 0.00 C ATOM 393 O ILE A 29 -6.993 5.423 4.799 1.00 0.00 O ATOM 394 CB ILE A 29 -6.716 2.541 3.201 1.00 0.00 C ATOM 395 CG1 ILE A 29 -5.752 1.394 2.888 1.00 0.00 C ATOM 396 CG2 ILE A 29 -6.580 3.650 2.168 1.00 0.00 C ATOM 397 CD1 ILE A 29 -4.303 1.825 2.817 1.00 0.00 C ATOM 0 H ILE A 29 -6.784 1.121 5.254 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.420 3.437 4.674 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.735 2.156 3.161 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.857 0.624 3.652 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.035 0.941 1.938 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -6.769 3.246 1.173 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -7.302 4.438 2.383 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -5.571 4.061 2.206 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -3.677 0.961 2.592 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.184 2.574 2.034 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.003 2.251 3.774 1.00 0.00 H new ATOM 408 N GLY A 30 -8.647 3.949 5.188 1.00 0.00 N ATOM 409 CA GLY A 30 -9.626 4.986 5.458 1.00 0.00 C ATOM 410 C GLY A 30 -9.410 5.651 6.803 1.00 0.00 C ATOM 411 O GLY A 30 -9.623 6.855 6.947 1.00 0.00 O ATOM 0 H GLY A 30 -9.003 2.996 5.258 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.579 5.740 4.672 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -10.626 4.554 5.426 1.00 0.00 H new ATOM 415 N GLN A 31 -8.988 4.865 7.788 1.00 0.00 N ATOM 416 CA GLN A 31 -8.746 5.387 9.129 1.00 0.00 C ATOM 417 C GLN A 31 -7.717 6.512 9.098 1.00 0.00 C ATOM 418 O GLN A 31 -7.796 7.459 9.878 1.00 0.00 O ATOM 419 CB GLN A 31 -8.268 4.267 10.054 1.00 0.00 C ATOM 420 CG GLN A 31 -9.218 3.982 11.206 1.00 0.00 C ATOM 421 CD GLN A 31 -8.884 4.781 12.451 1.00 0.00 C ATOM 422 OE1 GLN A 31 -7.817 4.613 13.042 1.00 0.00 O ATOM 423 NE2 GLN A 31 -9.797 5.656 12.856 1.00 0.00 N ATOM 0 H GLN A 31 -8.807 3.867 7.684 1.00 0.00 H new ATOM 0 HA GLN A 31 -9.684 5.789 9.511 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.135 3.356 9.470 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.291 4.532 10.457 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -10.238 4.210 10.896 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.187 2.918 11.443 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -10.668 5.762 12.335 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -9.628 6.222 13.688 1.00 0.00 H new ATOM 430 N ALA A 32 -6.752 6.399 8.191 1.00 0.00 N ATOM 431 CA ALA A 32 -5.707 7.408 8.058 1.00 0.00 C ATOM 432 C ALA A 32 -6.267 8.704 7.480 1.00 0.00 C ATOM 433 O ALA A 32 -5.745 9.786 7.743 1.00 0.00 O ATOM 434 CB ALA A 32 -4.576 6.885 7.186 1.00 0.00 C ATOM 0 H ALA A 32 -6.672 5.620 7.538 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.315 7.623 9.052 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.803 7.649 7.096 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.150 5.990 7.640 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.963 6.641 6.196 1.00 0.00 H new ATOM 440 N GLU A 33 -7.331 8.585 6.693 1.00 0.00 N ATOM 441 CA GLU A 33 -7.960 9.747 6.077 1.00 0.00 C ATOM 442 C GLU A 33 -8.538 10.678 7.139 1.00 0.00 C ATOM 443 O GLU A 33 -8.565 11.896 6.963 1.00 0.00 O ATOM 444 CB GLU A 33 -9.062 9.309 5.111 1.00 0.00 C ATOM 445 CG GLU A 33 -8.799 9.702 3.667 1.00 0.00 C ATOM 446 CD GLU A 33 -8.507 11.182 3.511 1.00 0.00 C ATOM 447 OE1 GLU A 33 -9.273 12.000 4.060 1.00 0.00 O ATOM 448 OE2 GLU A 33 -7.510 11.520 2.837 1.00 0.00 O ATOM 0 H GLU A 33 -7.776 7.695 6.467 1.00 0.00 H new ATOM 0 HA GLU A 33 -7.196 10.289 5.520 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -9.175 8.226 5.169 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -10.008 9.746 5.431 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -7.956 9.127 3.285 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -9.665 9.440 3.059 1.00 0.00 H new ATOM 658 N PHE A 51 -3.053 20.496 -1.210 1.00 0.00 N ATOM 659 CA PHE A 51 -3.647 19.421 -0.423 1.00 0.00 C ATOM 660 C PHE A 51 -4.434 18.465 -1.315 1.00 0.00 C ATOM 661 O PHE A 51 -4.477 17.260 -1.065 1.00 0.00 O ATOM 662 CB PHE A 51 -4.562 19.999 0.658 1.00 0.00 C ATOM 663 CG PHE A 51 -5.361 18.956 1.387 1.00 0.00 C ATOM 664 CD1 PHE A 51 -4.728 17.976 2.134 1.00 0.00 C ATOM 665 CD2 PHE A 51 -6.745 18.955 1.323 1.00 0.00 C ATOM 666 CE1 PHE A 51 -5.460 17.015 2.807 1.00 0.00 C ATOM 667 CE2 PHE A 51 -7.483 17.998 1.993 1.00 0.00 C ATOM 668 CZ PHE A 51 -6.839 17.026 2.735 1.00 0.00 C ATOM 0 HA PHE A 51 -2.840 18.864 0.053 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -3.957 20.551 1.378 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.245 20.715 0.200 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.650 17.962 2.191 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -7.253 19.711 0.743 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -4.954 16.258 3.388 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -8.561 18.010 1.937 1.00 0.00 H new ATOM 0 HZ PHE A 51 -7.414 16.276 3.258 1.00 0.00 H new ATOM 677 N GLN A 52 -5.056 19.012 -2.354 1.00 0.00 N ATOM 678 CA GLN A 52 -5.843 18.208 -3.282 1.00 0.00 C ATOM 679 C GLN A 52 -4.949 17.260 -4.075 1.00 0.00 C ATOM 680 O GLN A 52 -5.178 16.051 -4.099 1.00 0.00 O ATOM 681 CB GLN A 52 -6.624 19.112 -4.238 1.00 0.00 C ATOM 682 CG GLN A 52 -7.262 18.364 -5.397 1.00 0.00 C ATOM 683 CD GLN A 52 -8.729 18.704 -5.573 1.00 0.00 C ATOM 684 OE1 GLN A 52 -9.194 19.753 -5.123 1.00 0.00 O ATOM 685 NE2 GLN A 52 -9.467 17.819 -6.231 1.00 0.00 N ATOM 0 H GLN A 52 -5.031 20.008 -2.575 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.547 17.612 -2.700 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.402 19.632 -3.679 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -5.953 19.874 -4.634 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -6.725 18.600 -6.316 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -7.158 17.291 -5.233 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -9.041 16.963 -6.587 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -10.460 17.994 -6.381 1.00 0.00 H new ATOM 692 N ALA A 53 -3.931 17.818 -4.722 1.00 0.00 N ATOM 693 CA ALA A 53 -3.002 17.022 -5.515 1.00 0.00 C ATOM 694 C ALA A 53 -2.457 15.849 -4.708 1.00 0.00 C ATOM 695 O ALA A 53 -2.450 14.711 -5.177 1.00 0.00 O ATOM 696 CB ALA A 53 -1.861 17.892 -6.022 1.00 0.00 C ATOM 0 H ALA A 53 -3.729 18.818 -4.713 1.00 0.00 H new ATOM 0 HA ALA A 53 -3.545 16.620 -6.370 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -1.175 17.285 -6.612 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -2.262 18.693 -6.643 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.327 18.322 -5.175 1.00 0.00 H new ATOM 702 N ALA A 54 -2.001 16.134 -3.493 1.00 0.00 N ATOM 703 CA ALA A 54 -1.456 15.102 -2.620 1.00 0.00 C ATOM 704 C ALA A 54 -2.547 14.147 -2.148 1.00 0.00 C ATOM 705 O ALA A 54 -2.331 12.939 -2.054 1.00 0.00 O ATOM 706 CB ALA A 54 -0.753 15.735 -1.428 1.00 0.00 C ATOM 0 H ALA A 54 -1.998 17.071 -3.091 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.729 14.525 -3.192 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.351 14.952 -0.785 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.061 16.369 -1.780 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.465 16.338 -0.864 1.00 0.00 H new ATOM 712 N HIS A 55 -3.720 14.699 -1.852 1.00 0.00 N ATOM 713 CA HIS A 55 -4.847 13.896 -1.390 1.00 0.00 C ATOM 714 C HIS A 55 -5.285 12.905 -2.464 1.00 0.00 C ATOM 715 O HIS A 55 -5.693 11.785 -2.159 1.00 0.00 O ATOM 716 CB HIS A 55 -6.019 14.799 -1.003 1.00 0.00 C ATOM 717 CG HIS A 55 -7.240 14.044 -0.575 1.00 0.00 C ATOM 718 ND1 HIS A 55 -8.121 13.307 -1.292 1.00 0.00 N flip ATOM 719 CD2 HIS A 55 -7.675 13.996 0.732 1.00 0.00 C flip ATOM 720 CE1 HIS A 55 -9.062 12.830 -0.411 1.00 0.00 C flip ATOM 721 NE2 HIS A 55 -8.769 13.260 0.803 1.00 0.00 N flip ATOM 0 H HIS A 55 -3.915 15.698 -1.924 1.00 0.00 H new ATOM 0 HA HIS A 55 -4.526 13.334 -0.513 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -5.707 15.459 -0.193 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -6.273 15.434 -1.851 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -7.196 14.484 1.568 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -9.904 12.205 -0.669 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -9.298 13.058 1.651 1.00 0.00 H new ATOM 728 N ALA A 56 -5.199 13.327 -3.722 1.00 0.00 N ATOM 729 CA ALA A 56 -5.586 12.476 -4.841 1.00 0.00 C ATOM 730 C ALA A 56 -4.569 11.360 -5.058 1.00 0.00 C ATOM 731 O ALA A 56 -4.920 10.267 -5.505 1.00 0.00 O ATOM 732 CB ALA A 56 -5.740 13.306 -6.107 1.00 0.00 C ATOM 0 H ALA A 56 -4.865 14.252 -3.991 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.545 12.017 -4.602 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.029 12.658 -6.934 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.509 14.064 -5.954 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.793 13.792 -6.341 1.00 0.00 H new ATOM 738 N ARG A 57 -3.311 11.641 -4.740 1.00 0.00 N ATOM 739 CA ARG A 57 -2.244 10.661 -4.903 1.00 0.00 C ATOM 740 C ARG A 57 -2.471 9.455 -3.996 1.00 0.00 C ATOM 741 O ARG A 57 -2.268 8.312 -4.404 1.00 0.00 O ATOM 742 CB ARG A 57 -0.887 11.297 -4.595 1.00 0.00 C ATOM 743 CG ARG A 57 -0.356 12.173 -5.717 1.00 0.00 C ATOM 744 CD ARG A 57 0.862 12.970 -5.273 1.00 0.00 C ATOM 745 NE ARG A 57 2.111 12.310 -5.641 1.00 0.00 N ATOM 746 CZ ARG A 57 3.311 12.763 -5.297 1.00 0.00 C ATOM 747 NH1 ARG A 57 3.423 13.872 -4.579 1.00 0.00 N ATOM 748 NH2 ARG A 57 4.402 12.107 -5.671 1.00 0.00 N ATOM 0 H ARG A 57 -3.005 12.540 -4.368 1.00 0.00 H new ATOM 0 HA ARG A 57 -2.251 10.321 -5.939 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -0.973 11.896 -3.688 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -0.164 10.508 -4.388 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.093 11.551 -6.572 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.138 12.856 -6.048 1.00 0.00 H new ATOM 0 HD2 ARG A 57 0.830 13.962 -5.723 1.00 0.00 H new ATOM 0 HD3 ARG A 57 0.830 13.109 -4.192 1.00 0.00 H new ATOM 0 HE ARG A 57 2.059 11.454 -6.193 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.586 14.379 -4.290 1.00 0.00 H new ATOM 0 HH12 ARG A 57 4.346 14.218 -4.316 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.320 11.254 -6.224 1.00 0.00 H new ATOM 0 HH22 ARG A 57 5.323 12.456 -5.406 1.00 0.00 H new ATOM 759 N PHE A 58 -2.893 9.719 -2.764 1.00 0.00 N ATOM 760 CA PHE A 58 -3.145 8.656 -1.798 1.00 0.00 C ATOM 761 C PHE A 58 -4.272 7.745 -2.275 1.00 0.00 C ATOM 762 O PHE A 58 -4.105 6.529 -2.371 1.00 0.00 O ATOM 763 CB PHE A 58 -3.499 9.251 -0.433 1.00 0.00 C ATOM 764 CG PHE A 58 -3.335 8.283 0.703 1.00 0.00 C ATOM 765 CD1 PHE A 58 -4.123 7.145 0.779 1.00 0.00 C ATOM 766 CD2 PHE A 58 -2.396 8.511 1.696 1.00 0.00 C ATOM 767 CE1 PHE A 58 -3.975 6.251 1.823 1.00 0.00 C ATOM 768 CE2 PHE A 58 -2.244 7.620 2.742 1.00 0.00 C ATOM 769 CZ PHE A 58 -3.035 6.490 2.806 1.00 0.00 C ATOM 0 H PHE A 58 -3.068 10.660 -2.411 1.00 0.00 H new ATOM 0 HA PHE A 58 -2.236 8.062 -1.703 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.870 10.122 -0.251 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.531 9.602 -0.455 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -4.861 6.955 0.014 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.776 9.394 1.652 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -4.594 5.367 1.870 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -1.507 7.808 3.509 1.00 0.00 H new ATOM 0 HZ PHE A 58 -2.919 5.794 3.624 1.00 0.00 H new ATOM 778 N VAL A 59 -5.421 8.342 -2.573 1.00 0.00 N ATOM 779 CA VAL A 59 -6.577 7.586 -3.041 1.00 0.00 C ATOM 780 C VAL A 59 -6.260 6.842 -4.334 1.00 0.00 C ATOM 781 O VAL A 59 -6.779 5.753 -4.578 1.00 0.00 O ATOM 782 CB VAL A 59 -7.792 8.503 -3.275 1.00 0.00 C ATOM 783 CG1 VAL A 59 -7.408 9.684 -4.154 1.00 0.00 C ATOM 784 CG2 VAL A 59 -8.941 7.720 -3.891 1.00 0.00 C ATOM 0 H VAL A 59 -5.577 9.347 -2.499 1.00 0.00 H new ATOM 0 HA VAL A 59 -6.820 6.866 -2.260 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.123 8.890 -2.312 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -8.279 10.321 -4.309 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.620 10.259 -3.667 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.050 9.320 -5.117 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.791 8.384 -4.049 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -8.625 7.301 -4.847 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.232 6.912 -3.220 1.00 0.00 H new ATOM 794 N ALA A 60 -5.404 7.437 -5.158 1.00 0.00 N ATOM 795 CA ALA A 60 -5.016 6.830 -6.424 1.00 0.00 C ATOM 796 C ALA A 60 -4.272 5.517 -6.199 1.00 0.00 C ATOM 797 O ALA A 60 -4.439 4.560 -6.955 1.00 0.00 O ATOM 798 CB ALA A 60 -4.158 7.793 -7.231 1.00 0.00 C ATOM 0 H ALA A 60 -4.966 8.339 -4.971 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.924 6.611 -6.986 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.876 7.326 -8.174 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.723 8.703 -7.432 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.260 8.041 -6.666 1.00 0.00 H new ATOM 804 N ALA A 61 -3.450 5.481 -5.156 1.00 0.00 N ATOM 805 CA ALA A 61 -2.681 4.286 -4.831 1.00 0.00 C ATOM 806 C ALA A 61 -3.544 3.258 -4.106 1.00 0.00 C ATOM 807 O ALA A 61 -3.459 2.061 -4.376 1.00 0.00 O ATOM 808 CB ALA A 61 -1.470 4.651 -3.986 1.00 0.00 C ATOM 0 H ALA A 61 -3.299 6.265 -4.522 1.00 0.00 H new ATOM 0 HA ALA A 61 -2.338 3.840 -5.764 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.905 3.749 -3.751 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -0.835 5.343 -4.540 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -1.801 5.123 -3.061 1.00 0.00 H new ATOM 814 N ALA A 62 -4.373 3.735 -3.184 1.00 0.00 N ATOM 815 CA ALA A 62 -5.252 2.858 -2.420 1.00 0.00 C ATOM 816 C ALA A 62 -6.059 1.951 -3.344 1.00 0.00 C ATOM 817 O ALA A 62 -6.390 0.821 -2.986 1.00 0.00 O ATOM 818 CB ALA A 62 -6.182 3.679 -1.540 1.00 0.00 C ATOM 0 H ALA A 62 -4.455 4.724 -2.948 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.632 2.227 -1.784 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.833 3.011 -0.975 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.592 4.281 -0.849 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.789 4.335 -2.164 1.00 0.00 H new ATOM 824 N ALA A 63 -6.371 2.453 -4.534 1.00 0.00 N ATOM 825 CA ALA A 63 -7.138 1.688 -5.509 1.00 0.00 C ATOM 826 C ALA A 63 -6.327 0.513 -6.045 1.00 0.00 C ATOM 827 O ALA A 63 -6.870 -0.559 -6.315 1.00 0.00 O ATOM 828 CB ALA A 63 -7.586 2.586 -6.651 1.00 0.00 C ATOM 0 H ALA A 63 -6.104 3.387 -4.846 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.020 1.289 -5.008 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.158 2.001 -7.371 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -8.210 3.389 -6.259 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.712 3.013 -7.143 1.00 0.00 H new ATOM 834 N LYS A 64 -5.023 0.721 -6.198 1.00 0.00 N ATOM 835 CA LYS A 64 -4.135 -0.321 -6.702 1.00 0.00 C ATOM 836 C LYS A 64 -3.983 -1.446 -5.682 1.00 0.00 C ATOM 837 O LYS A 64 -4.201 -2.616 -5.997 1.00 0.00 O ATOM 838 CB LYS A 64 -2.763 0.268 -7.036 1.00 0.00 C ATOM 839 CG LYS A 64 -1.665 -0.775 -7.150 1.00 0.00 C ATOM 840 CD LYS A 64 -2.036 -1.868 -8.139 1.00 0.00 C ATOM 841 CE LYS A 64 -0.926 -2.103 -9.153 1.00 0.00 C ATOM 842 NZ LYS A 64 -0.600 -0.865 -9.914 1.00 0.00 N ATOM 0 H LYS A 64 -4.558 1.602 -5.980 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.577 -0.734 -7.609 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -2.831 0.816 -7.976 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -2.489 0.989 -6.266 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.738 -0.296 -7.466 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -1.478 -1.217 -6.171 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -2.240 -2.793 -7.600 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -2.953 -1.593 -8.659 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -0.033 -2.459 -8.639 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -1.228 -2.887 -9.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.282 -1.119 -10.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.447 -0.264 -9.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 0.156 -0.345 -9.424 1.00 0.00 H new ATOM 852 N VAL A 65 -3.610 -1.084 -4.459 1.00 0.00 N ATOM 853 CA VAL A 65 -3.432 -2.062 -3.393 1.00 0.00 C ATOM 854 C VAL A 65 -4.710 -2.860 -3.161 1.00 0.00 C ATOM 855 O VAL A 65 -4.676 -4.083 -3.035 1.00 0.00 O ATOM 856 CB VAL A 65 -3.015 -1.385 -2.074 1.00 0.00 C ATOM 857 CG1 VAL A 65 -3.993 -0.280 -1.708 1.00 0.00 C ATOM 858 CG2 VAL A 65 -2.915 -2.413 -0.957 1.00 0.00 C ATOM 0 H VAL A 65 -3.425 -0.120 -4.182 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.638 -2.738 -3.712 1.00 0.00 H new ATOM 0 HB VAL A 65 -2.032 -0.935 -2.211 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.682 0.186 -0.773 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.009 0.469 -2.500 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.991 -0.702 -1.588 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.619 -1.918 -0.032 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.883 -2.894 -0.818 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -2.171 -3.165 -1.220 1.00 0.00 H new ATOM 868 N ASN A 66 -5.837 -2.158 -3.104 1.00 0.00 N ATOM 869 CA ASN A 66 -7.128 -2.801 -2.886 1.00 0.00 C ATOM 870 C ASN A 66 -7.436 -3.795 -4.001 1.00 0.00 C ATOM 871 O ASN A 66 -7.944 -4.888 -3.752 1.00 0.00 O ATOM 872 CB ASN A 66 -8.237 -1.750 -2.803 1.00 0.00 C ATOM 873 CG ASN A 66 -9.587 -2.300 -3.222 1.00 0.00 C ATOM 874 OD1 ASN A 66 -10.359 -2.779 -2.391 1.00 0.00 O ATOM 875 ND2 ASN A 66 -9.877 -2.233 -4.515 1.00 0.00 N ATOM 0 H ASN A 66 -5.883 -1.144 -3.206 1.00 0.00 H new ATOM 0 HA ASN A 66 -7.080 -3.345 -1.942 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -8.302 -1.374 -1.782 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -7.980 -0.903 -3.439 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -10.771 -2.587 -4.856 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -9.206 -1.827 -5.168 1.00 0.00 H new ATOM 881 N THR A 67 -7.125 -3.407 -5.235 1.00 0.00 N ATOM 882 CA THR A 67 -7.369 -4.263 -6.389 1.00 0.00 C ATOM 883 C THR A 67 -6.471 -5.494 -6.359 1.00 0.00 C ATOM 884 O THR A 67 -6.818 -6.541 -6.907 1.00 0.00 O ATOM 885 CB THR A 67 -7.138 -3.504 -7.709 1.00 0.00 C ATOM 886 OG1 THR A 67 -8.147 -2.505 -7.883 1.00 0.00 O ATOM 887 CG2 THR A 67 -7.153 -4.460 -8.893 1.00 0.00 C ATOM 0 H THR A 67 -6.704 -2.506 -5.460 1.00 0.00 H new ATOM 0 HA THR A 67 -8.412 -4.576 -6.337 1.00 0.00 H new ATOM 0 HB THR A 67 -6.160 -3.026 -7.661 1.00 0.00 H new ATOM 0 HG1 THR A 67 -7.894 -1.695 -7.392 1.00 0.00 H new ATOM 0 HG21 THR A 67 -6.988 -3.901 -9.814 1.00 0.00 H new ATOM 0 HG22 THR A 67 -6.363 -5.201 -8.772 1.00 0.00 H new ATOM 0 HG23 THR A 67 -8.119 -4.963 -8.942 1.00 0.00 H new ATOM 895 N LEU A 68 -5.315 -5.363 -5.717 1.00 0.00 N ATOM 896 CA LEU A 68 -4.367 -6.467 -5.616 1.00 0.00 C ATOM 897 C LEU A 68 -4.906 -7.566 -4.706 1.00 0.00 C ATOM 898 O LEU A 68 -4.827 -8.751 -5.033 1.00 0.00 O ATOM 899 CB LEU A 68 -3.023 -5.963 -5.086 1.00 0.00 C ATOM 900 CG LEU A 68 -2.209 -5.090 -6.042 1.00 0.00 C ATOM 901 CD1 LEU A 68 -1.174 -4.281 -5.276 1.00 0.00 C ATOM 902 CD2 LEU A 68 -1.539 -5.946 -7.106 1.00 0.00 C ATOM 0 H LEU A 68 -5.012 -4.504 -5.259 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.224 -6.884 -6.613 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.205 -5.395 -4.173 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.418 -6.826 -4.809 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.888 -4.396 -6.537 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -0.604 -3.666 -5.973 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -1.677 -3.639 -4.553 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.498 -4.957 -4.753 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.964 -5.308 -7.777 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.872 -6.664 -6.629 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.300 -6.480 -7.676 1.00 0.00 H new ATOM 913 N LEU A 69 -5.454 -7.165 -3.564 1.00 0.00 N ATOM 914 CA LEU A 69 -6.009 -8.116 -2.608 1.00 0.00 C ATOM 915 C LEU A 69 -7.056 -9.006 -3.268 1.00 0.00 C ATOM 916 O LEU A 69 -7.116 -10.208 -3.011 1.00 0.00 O ATOM 917 CB LEU A 69 -6.628 -7.375 -1.422 1.00 0.00 C ATOM 918 CG LEU A 69 -5.647 -6.831 -0.383 1.00 0.00 C ATOM 919 CD1 LEU A 69 -4.358 -7.638 -0.392 1.00 0.00 C ATOM 920 CD2 LEU A 69 -5.358 -5.359 -0.641 1.00 0.00 C ATOM 0 H LEU A 69 -5.526 -6.189 -3.278 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.196 -8.748 -2.250 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.217 -6.542 -1.807 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.321 -8.050 -0.919 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.103 -6.924 0.603 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.672 -7.236 0.354 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.579 -8.679 -0.158 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.898 -7.578 -1.378 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.658 -4.989 0.108 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.923 -5.242 -1.633 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.286 -4.790 -0.583 1.00 0.00 H new ATOM 931 N ASP A 70 -7.878 -8.409 -4.123 1.00 0.00 N ATOM 932 CA ASP A 70 -8.922 -9.147 -4.825 1.00 0.00 C ATOM 933 C ASP A 70 -8.316 -10.128 -5.823 1.00 0.00 C ATOM 934 O ASP A 70 -8.872 -11.197 -6.076 1.00 0.00 O ATOM 935 CB ASP A 70 -9.863 -8.181 -5.548 1.00 0.00 C ATOM 936 CG ASP A 70 -11.324 -8.508 -5.307 1.00 0.00 C ATOM 937 OD1 ASP A 70 -11.719 -8.624 -4.129 1.00 0.00 O ATOM 938 OD2 ASP A 70 -12.071 -8.649 -6.299 1.00 0.00 O ATOM 0 H ASP A 70 -7.842 -7.415 -4.347 1.00 0.00 H new ATOM 0 HA ASP A 70 -9.492 -9.712 -4.087 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -9.661 -7.163 -5.214 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -9.658 -8.211 -6.618 1.00 0.00 H new ATOM 942 N VAL A 71 -7.171 -9.758 -6.390 1.00 0.00 N ATOM 943 CA VAL A 71 -6.489 -10.604 -7.360 1.00 0.00 C ATOM 944 C VAL A 71 -5.777 -11.765 -6.673 1.00 0.00 C ATOM 945 O VAL A 71 -5.889 -12.914 -7.098 1.00 0.00 O ATOM 946 CB VAL A 71 -5.464 -9.802 -8.183 1.00 0.00 C ATOM 947 CG1 VAL A 71 -4.718 -10.714 -9.145 1.00 0.00 C ATOM 948 CG2 VAL A 71 -6.151 -8.670 -8.932 1.00 0.00 C ATOM 0 H VAL A 71 -6.697 -8.877 -6.193 1.00 0.00 H new ATOM 0 HA VAL A 71 -7.254 -10.996 -8.030 1.00 0.00 H new ATOM 0 HB VAL A 71 -4.737 -9.365 -7.498 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.998 -10.129 -9.717 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -4.192 -11.485 -8.582 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -5.428 -11.183 -9.826 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -5.412 -8.114 -9.508 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.901 -9.083 -9.606 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.633 -8.001 -8.219 1.00 0.00 H new ATOM 958 N ALA A 72 -5.045 -11.454 -5.608 1.00 0.00 N ATOM 959 CA ALA A 72 -4.316 -12.472 -4.860 1.00 0.00 C ATOM 960 C ALA A 72 -5.250 -13.580 -4.388 1.00 0.00 C ATOM 961 O ALA A 72 -4.932 -14.763 -4.505 1.00 0.00 O ATOM 962 CB ALA A 72 -3.600 -11.842 -3.675 1.00 0.00 C ATOM 0 H ALA A 72 -4.941 -10.507 -5.244 1.00 0.00 H new ATOM 0 HA ALA A 72 -3.575 -12.916 -5.525 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.060 -12.612 -3.125 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.896 -11.090 -4.033 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.330 -11.371 -3.017 1.00 0.00 H new ATOM 968 N GLN A 73 -6.403 -13.189 -3.855 1.00 0.00 N ATOM 969 CA GLN A 73 -7.382 -14.152 -3.364 1.00 0.00 C ATOM 970 C GLN A 73 -7.960 -14.974 -4.512 1.00 0.00 C ATOM 971 O GLN A 73 -8.255 -16.158 -4.353 1.00 0.00 O ATOM 972 CB GLN A 73 -8.508 -13.431 -2.620 1.00 0.00 C ATOM 973 CG GLN A 73 -8.029 -12.634 -1.417 1.00 0.00 C ATOM 974 CD GLN A 73 -9.032 -11.588 -0.974 1.00 0.00 C ATOM 975 OE1 GLN A 73 -9.459 -10.746 -1.765 1.00 0.00 O ATOM 976 NE2 GLN A 73 -9.415 -11.635 0.297 1.00 0.00 N ATOM 0 H GLN A 73 -6.682 -12.213 -3.752 1.00 0.00 H new ATOM 0 HA GLN A 73 -6.876 -14.829 -2.676 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -9.017 -12.759 -3.311 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -9.243 -14.165 -2.290 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -7.831 -13.316 -0.590 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -7.085 -12.147 -1.661 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -9.036 -12.350 0.918 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -10.088 -10.956 0.652 1.00 0.00 H new ATOM 983 N ALA A 74 -8.121 -14.337 -5.667 1.00 0.00 N ATOM 984 CA ALA A 74 -8.662 -15.010 -6.842 1.00 0.00 C ATOM 985 C ALA A 74 -7.636 -15.958 -7.453 1.00 0.00 C ATOM 986 O ALA A 74 -7.991 -16.973 -8.049 1.00 0.00 O ATOM 987 CB ALA A 74 -9.119 -13.988 -7.871 1.00 0.00 C ATOM 0 H ALA A 74 -7.885 -13.356 -5.814 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.522 -15.602 -6.528 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.521 -14.504 -8.743 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.892 -13.355 -7.436 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.272 -13.372 -8.172 1.00 0.00 H new ATOM 993 N ASN A 75 -6.359 -15.618 -7.302 1.00 0.00 N ATOM 994 CA ASN A 75 -5.281 -16.438 -7.841 1.00 0.00 C ATOM 995 C ASN A 75 -4.976 -17.611 -6.915 1.00 0.00 C ATOM 996 O ASN A 75 -4.703 -18.723 -7.373 1.00 0.00 O ATOM 997 CB ASN A 75 -4.022 -15.592 -8.044 1.00 0.00 C ATOM 998 CG ASN A 75 -4.020 -14.869 -9.377 1.00 0.00 C ATOM 999 OD1 ASN A 75 -3.132 -15.071 -10.205 1.00 0.00 O ATOM 1000 ND2 ASN A 75 -5.017 -14.017 -9.589 1.00 0.00 N ATOM 0 H ASN A 75 -6.047 -14.780 -6.811 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.604 -16.833 -8.804 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -3.944 -14.862 -7.238 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -3.143 -16.233 -7.980 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -5.068 -13.499 -10.466 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -5.732 -13.881 -8.874 1.00 0.00 H new ATOM 1006 N LEU A 76 -5.023 -17.358 -5.613 1.00 0.00 N ATOM 1007 CA LEU A 76 -4.753 -18.393 -4.622 1.00 0.00 C ATOM 1008 C LEU A 76 -5.958 -19.311 -4.449 1.00 0.00 C ATOM 1009 O LEU A 76 -5.819 -20.473 -4.069 1.00 0.00 O ATOM 1010 CB LEU A 76 -4.384 -17.759 -3.280 1.00 0.00 C ATOM 1011 CG LEU A 76 -3.095 -16.936 -3.256 1.00 0.00 C ATOM 1012 CD1 LEU A 76 -2.899 -16.288 -1.895 1.00 0.00 C ATOM 1013 CD2 LEU A 76 -1.900 -17.808 -3.612 1.00 0.00 C ATOM 0 H LEU A 76 -5.246 -16.444 -5.218 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.913 -18.990 -4.978 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.207 -17.117 -2.966 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.298 -18.553 -2.538 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.178 -16.145 -4.002 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -1.977 -15.707 -1.898 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.741 -15.630 -1.680 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -2.838 -17.061 -1.129 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.991 -17.206 -3.590 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.815 -18.621 -2.890 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.037 -18.223 -4.611 1.00 0.00 H new ATOM 1024 N GLY A 77 -7.144 -18.781 -4.733 1.00 0.00 N ATOM 1025 CA GLY A 77 -8.358 -19.567 -4.605 1.00 0.00 C ATOM 1026 C GLY A 77 -8.815 -19.697 -3.167 1.00 0.00 C ATOM 1027 O GLY A 77 -9.807 -19.090 -2.766 1.00 0.00 O ATOM 0 H GLY A 77 -7.286 -17.822 -5.049 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.150 -19.105 -5.194 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -8.189 -20.560 -5.021 1.00 0.00 H new ATOM 1031 N GLU A 78 -8.091 -20.495 -2.387 1.00 0.00 N ATOM 1032 CA GLU A 78 -8.429 -20.705 -0.985 1.00 0.00 C ATOM 1033 C GLU A 78 -8.594 -19.372 -0.259 1.00 0.00 C ATOM 1034 O GLU A 78 -9.493 -19.210 0.567 1.00 0.00 O ATOM 1035 CB GLU A 78 -7.351 -21.543 -0.297 1.00 0.00 C ATOM 1036 CG GLU A 78 -7.735 -23.002 -0.117 1.00 0.00 C ATOM 1037 CD GLU A 78 -6.582 -23.948 -0.391 1.00 0.00 C ATOM 1038 OE1 GLU A 78 -5.637 -23.982 0.425 1.00 0.00 O ATOM 1039 OE2 GLU A 78 -6.623 -24.652 -1.420 1.00 0.00 O ATOM 0 H GLU A 78 -7.267 -21.006 -2.703 1.00 0.00 H new ATOM 0 HA GLU A 78 -9.377 -21.241 -0.943 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -6.432 -21.487 -0.881 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -7.135 -21.110 0.680 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -8.092 -23.157 0.901 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -8.562 -23.241 -0.785 1.00 0.00 H new ATOM 1044 N ALA A 79 -7.720 -18.422 -0.574 1.00 0.00 N ATOM 1045 CA ALA A 79 -7.769 -17.104 0.047 1.00 0.00 C ATOM 1046 C ALA A 79 -9.121 -16.438 -0.185 1.00 0.00 C ATOM 1047 O ALA A 79 -9.650 -15.762 0.697 1.00 0.00 O ATOM 1048 CB ALA A 79 -6.648 -16.227 -0.490 1.00 0.00 C ATOM 0 H ALA A 79 -6.970 -18.540 -1.255 1.00 0.00 H new ATOM 0 HA ALA A 79 -7.635 -17.230 1.121 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -6.696 -15.246 -0.018 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.686 -16.690 -0.268 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -6.757 -16.117 -1.569 1.00 0.00 H new ATOM 1533 N ALA B 620 3.346 11.355 11.615 1.00 0.00 N ATOM 1534 CA ALA B 620 4.107 10.409 10.806 1.00 0.00 C ATOM 1535 C ALA B 620 3.837 8.974 11.244 1.00 0.00 C ATOM 1536 O ALA B 620 3.882 8.049 10.433 1.00 0.00 O ATOM 1537 CB ALA B 620 5.593 10.718 10.892 1.00 0.00 C ATOM 0 HA ALA B 620 3.785 10.512 9.770 1.00 0.00 H new ATOM 0 HB1 ALA B 620 6.149 10.004 10.284 1.00 0.00 H new ATOM 0 HB2 ALA B 620 5.776 11.728 10.525 1.00 0.00 H new ATOM 0 HB3 ALA B 620 5.921 10.643 11.929 1.00 0.00 H new ATOM 1543 N GLY B 621 3.558 8.794 12.531 1.00 0.00 N ATOM 1544 CA GLY B 621 3.286 7.466 13.053 1.00 0.00 C ATOM 1545 C GLY B 621 2.201 6.749 12.276 1.00 0.00 C ATOM 1546 O GLY B 621 2.249 5.529 12.112 1.00 0.00 O ATOM 0 H GLY B 621 3.515 9.543 13.222 1.00 0.00 H new ATOM 0 HA2 GLY B 621 4.201 6.874 13.025 1.00 0.00 H new ATOM 0 HA3 GLY B 621 2.989 7.544 14.099 1.00 0.00 H new ATOM 1550 N TYR B 622 1.220 7.505 11.798 1.00 0.00 N ATOM 1551 CA TYR B 622 0.115 6.933 11.036 1.00 0.00 C ATOM 1552 C TYR B 622 0.633 6.091 9.874 1.00 0.00 C ATOM 1553 O TYR B 622 0.266 4.926 9.725 1.00 0.00 O ATOM 1554 CB TYR B 622 -0.799 8.041 10.511 1.00 0.00 C ATOM 1555 CG TYR B 622 -1.903 8.422 11.472 1.00 0.00 C ATOM 1556 CD1 TYR B 622 -1.612 8.830 12.768 1.00 0.00 C ATOM 1557 CD2 TYR B 622 -3.235 8.376 11.084 1.00 0.00 C ATOM 1558 CE1 TYR B 622 -2.617 9.178 13.650 1.00 0.00 C ATOM 1559 CE2 TYR B 622 -4.248 8.722 11.958 1.00 0.00 C ATOM 1560 CZ TYR B 622 -3.933 9.123 13.240 1.00 0.00 C ATOM 1561 OH TYR B 622 -4.937 9.470 14.115 1.00 0.00 O ATOM 0 H TYR B 622 1.166 8.516 11.924 1.00 0.00 H new ATOM 0 HA TYR B 622 -0.456 6.287 11.703 1.00 0.00 H new ATOM 0 HB2 TYR B 622 -0.198 8.924 10.293 1.00 0.00 H new ATOM 0 HB3 TYR B 622 -1.244 7.718 9.570 1.00 0.00 H new ATOM 0 HD1 TYR B 622 -0.583 8.876 13.091 1.00 0.00 H new ATOM 0 HD2 TYR B 622 -3.484 8.064 10.081 1.00 0.00 H new ATOM 0 HE1 TYR B 622 -2.374 9.491 14.655 1.00 0.00 H new ATOM 0 HE2 TYR B 622 -5.279 8.679 11.640 1.00 0.00 H new ATOM 0 HH TYR B 622 -5.805 9.378 13.670 1.00 0.00 H new ATOM 1570 N ALA B 623 1.488 6.692 9.052 1.00 0.00 N ATOM 1571 CA ALA B 623 2.058 5.999 7.904 1.00 0.00 C ATOM 1572 C ALA B 623 2.686 4.673 8.320 1.00 0.00 C ATOM 1573 O ALA B 623 2.666 3.701 7.564 1.00 0.00 O ATOM 1574 CB ALA B 623 3.089 6.880 7.215 1.00 0.00 C ATOM 0 H ALA B 623 1.801 7.657 9.160 1.00 0.00 H new ATOM 0 HA ALA B 623 1.252 5.785 7.202 1.00 0.00 H new ATOM 0 HB1 ALA B 623 3.507 6.350 6.359 1.00 0.00 H new ATOM 0 HB2 ALA B 623 2.613 7.800 6.875 1.00 0.00 H new ATOM 0 HB3 ALA B 623 3.887 7.123 7.916 1.00 0.00 H new ATOM 1580 N GLY B 624 3.243 4.639 9.526 1.00 0.00 N ATOM 1581 CA GLY B 624 3.870 3.427 10.020 1.00 0.00 C ATOM 1582 C GLY B 624 2.899 2.266 10.106 1.00 0.00 C ATOM 1583 O GLY B 624 3.303 1.104 10.068 1.00 0.00 O ATOM 0 H GLY B 624 3.271 5.429 10.170 1.00 0.00 H new ATOM 0 HA2 GLY B 624 4.698 3.157 9.364 1.00 0.00 H new ATOM 0 HA3 GLY B 624 4.293 3.617 11.006 1.00 0.00 H new ATOM 1587 N THR B 625 1.612 2.580 10.223 1.00 0.00 N ATOM 1588 CA THR B 625 0.581 1.555 10.317 1.00 0.00 C ATOM 1589 C THR B 625 0.313 0.917 8.958 1.00 0.00 C ATOM 1590 O THR B 625 0.137 -0.297 8.854 1.00 0.00 O ATOM 1591 CB THR B 625 -0.736 2.131 10.870 1.00 0.00 C ATOM 1592 OG1 THR B 625 -0.497 2.787 12.119 1.00 0.00 O ATOM 1593 CG2 THR B 625 -1.771 1.032 11.058 1.00 0.00 C ATOM 0 H THR B 625 1.260 3.537 10.255 1.00 0.00 H new ATOM 0 HA THR B 625 0.953 0.795 11.004 1.00 0.00 H new ATOM 0 HB THR B 625 -1.122 2.852 10.150 1.00 0.00 H new ATOM 0 HG1 THR B 625 -1.339 3.152 12.463 1.00 0.00 H new ATOM 0 HG21 THR B 625 -2.692 1.463 11.449 1.00 0.00 H new ATOM 0 HG22 THR B 625 -1.973 0.554 10.099 1.00 0.00 H new ATOM 0 HG23 THR B 625 -1.391 0.290 11.760 1.00 0.00 H new ATOM 1601 N LEU B 626 0.283 1.744 7.918 1.00 0.00 N ATOM 1602 CA LEU B 626 0.037 1.262 6.564 1.00 0.00 C ATOM 1603 C LEU B 626 1.177 0.366 6.089 1.00 0.00 C ATOM 1604 O LEU B 626 0.953 -0.769 5.669 1.00 0.00 O ATOM 1605 CB LEU B 626 -0.134 2.440 5.604 1.00 0.00 C ATOM 1606 CG LEU B 626 -1.468 3.184 5.686 1.00 0.00 C ATOM 1607 CD1 LEU B 626 -2.629 2.218 5.514 1.00 0.00 C ATOM 1608 CD2 LEU B 626 -1.582 3.930 7.007 1.00 0.00 C ATOM 0 H LEU B 626 0.426 2.752 7.987 1.00 0.00 H new ATOM 0 HA LEU B 626 -0.882 0.675 6.576 1.00 0.00 H new ATOM 0 HB2 LEU B 626 0.669 3.153 5.789 1.00 0.00 H new ATOM 0 HB3 LEU B 626 -0.007 2.074 4.585 1.00 0.00 H new ATOM 0 HG LEU B 626 -1.507 3.913 4.876 1.00 0.00 H new ATOM 0 HD11 LEU B 626 -3.570 2.765 5.575 1.00 0.00 H new ATOM 0 HD12 LEU B 626 -2.556 1.730 4.542 1.00 0.00 H new ATOM 0 HD13 LEU B 626 -2.595 1.465 6.301 1.00 0.00 H new ATOM 0 HD21 LEU B 626 -2.537 4.454 7.048 1.00 0.00 H new ATOM 0 HD22 LEU B 626 -1.522 3.220 7.832 1.00 0.00 H new ATOM 0 HD23 LEU B 626 -0.769 4.651 7.089 1.00 0.00 H new ATOM 1619 N GLN B 627 2.399 0.884 6.163 1.00 0.00 N ATOM 1620 CA GLN B 627 3.574 0.130 5.742 1.00 0.00 C ATOM 1621 C GLN B 627 3.672 -1.192 6.497 1.00 0.00 C ATOM 1622 O GLN B 627 4.153 -2.190 5.960 1.00 0.00 O ATOM 1623 CB GLN B 627 4.842 0.954 5.967 1.00 0.00 C ATOM 1624 CG GLN B 627 5.256 1.047 7.427 1.00 0.00 C ATOM 1625 CD GLN B 627 6.255 -0.025 7.820 1.00 0.00 C ATOM 1626 OE1 GLN B 627 5.935 -0.938 8.581 1.00 0.00 O ATOM 1627 NE2 GLN B 627 7.473 0.081 7.301 1.00 0.00 N ATOM 0 H GLN B 627 2.601 1.822 6.510 1.00 0.00 H new ATOM 0 HA GLN B 627 3.474 -0.086 4.678 1.00 0.00 H new ATOM 0 HB2 GLN B 627 5.658 0.514 5.394 1.00 0.00 H new ATOM 0 HB3 GLN B 627 4.686 1.960 5.578 1.00 0.00 H new ATOM 0 HG2 GLN B 627 5.689 2.029 7.616 1.00 0.00 H new ATOM 0 HG3 GLN B 627 4.371 0.962 8.058 1.00 0.00 H new ATOM 0 HE21 GLN B 627 7.695 0.855 6.674 1.00 0.00 H new ATOM 0 HE22 GLN B 627 8.187 -0.611 7.529 1.00 0.00 H new ATOM 1634 N SER B 628 3.212 -1.191 7.744 1.00 0.00 N ATOM 1635 CA SER B 628 3.251 -2.389 8.573 1.00 0.00 C ATOM 1636 C SER B 628 2.214 -3.407 8.109 1.00 0.00 C ATOM 1637 O SER B 628 2.452 -4.615 8.143 1.00 0.00 O ATOM 1638 CB SER B 628 3.006 -2.028 10.040 1.00 0.00 C ATOM 1639 OG SER B 628 3.349 -3.105 10.895 1.00 0.00 O ATOM 0 H SER B 628 2.808 -0.374 8.202 1.00 0.00 H new ATOM 0 HA SER B 628 4.241 -2.835 8.475 1.00 0.00 H new ATOM 0 HB2 SER B 628 3.593 -1.149 10.304 1.00 0.00 H new ATOM 0 HB3 SER B 628 1.958 -1.766 10.183 1.00 0.00 H new ATOM 0 HG SER B 628 3.185 -2.848 11.826 1.00 0.00 H new ATOM 1644 N LEU B 629 1.062 -2.910 7.674 1.00 0.00 N ATOM 1645 CA LEU B 629 -0.015 -3.774 7.201 1.00 0.00 C ATOM 1646 C LEU B 629 0.308 -4.342 5.823 1.00 0.00 C ATOM 1647 O LEU B 629 0.235 -5.550 5.605 1.00 0.00 O ATOM 1648 CB LEU B 629 -1.333 -3.000 7.149 1.00 0.00 C ATOM 1649 CG LEU B 629 -2.561 -3.726 7.698 1.00 0.00 C ATOM 1650 CD1 LEU B 629 -3.768 -2.800 7.713 1.00 0.00 C ATOM 1651 CD2 LEU B 629 -2.853 -4.974 6.877 1.00 0.00 C ATOM 0 H LEU B 629 0.849 -1.913 7.639 1.00 0.00 H new ATOM 0 HA LEU B 629 -0.115 -4.603 7.902 1.00 0.00 H new ATOM 0 HB2 LEU B 629 -1.207 -2.070 7.704 1.00 0.00 H new ATOM 0 HB3 LEU B 629 -1.530 -2.728 6.112 1.00 0.00 H new ATOM 0 HG LEU B 629 -2.351 -4.030 8.723 1.00 0.00 H new ATOM 0 HD11 LEU B 629 -4.632 -3.335 8.107 1.00 0.00 H new ATOM 0 HD12 LEU B 629 -3.557 -1.937 8.344 1.00 0.00 H new ATOM 0 HD13 LEU B 629 -3.981 -2.464 6.698 1.00 0.00 H new ATOM 0 HD21 LEU B 629 -3.730 -5.479 7.282 1.00 0.00 H new ATOM 0 HD22 LEU B 629 -3.042 -4.692 5.841 1.00 0.00 H new ATOM 0 HD23 LEU B 629 -1.996 -5.646 6.919 1.00 0.00 H new ATOM 1662 N GLY B 630 0.669 -3.461 4.895 1.00 0.00 N ATOM 1663 CA GLY B 630 1.001 -3.894 3.550 1.00 0.00 C ATOM 1664 C GLY B 630 2.052 -4.987 3.535 1.00 0.00 C ATOM 1665 O GLY B 630 1.925 -5.967 2.803 1.00 0.00 O ATOM 0 H GLY B 630 0.737 -2.455 5.051 1.00 0.00 H new ATOM 0 HA2 GLY B 630 0.099 -4.255 3.055 1.00 0.00 H new ATOM 0 HA3 GLY B 630 1.361 -3.041 2.975 1.00 0.00 H new ATOM 1669 N ALA B 631 3.092 -4.816 4.345 1.00 0.00 N ATOM 1670 CA ALA B 631 4.168 -5.797 4.422 1.00 0.00 C ATOM 1671 C ALA B 631 3.653 -7.138 4.931 1.00 0.00 C ATOM 1672 O ALA B 631 4.047 -8.193 4.435 1.00 0.00 O ATOM 1673 CB ALA B 631 5.286 -5.284 5.317 1.00 0.00 C ATOM 0 H ALA B 631 3.212 -4.008 4.956 1.00 0.00 H new ATOM 0 HA ALA B 631 4.562 -5.947 3.417 1.00 0.00 H new ATOM 0 HB1 ALA B 631 6.083 -6.026 5.366 1.00 0.00 H new ATOM 0 HB2 ALA B 631 5.681 -4.354 4.909 1.00 0.00 H new ATOM 0 HB3 ALA B 631 4.896 -5.104 6.319 1.00 0.00 H new ATOM 1679 N GLU B 632 2.771 -7.091 5.925 1.00 0.00 N ATOM 1680 CA GLU B 632 2.204 -8.304 6.501 1.00 0.00 C ATOM 1681 C GLU B 632 1.542 -9.159 5.426 1.00 0.00 C ATOM 1682 O GLU B 632 1.654 -10.385 5.438 1.00 0.00 O ATOM 1683 CB GLU B 632 1.185 -7.950 7.587 1.00 0.00 C ATOM 1684 CG GLU B 632 1.809 -7.702 8.950 1.00 0.00 C ATOM 1685 CD GLU B 632 2.659 -8.865 9.423 1.00 0.00 C ATOM 1686 OE1 GLU B 632 3.865 -8.889 9.099 1.00 0.00 O ATOM 1687 OE2 GLU B 632 2.118 -9.751 10.117 1.00 0.00 O ATOM 0 H GLU B 632 2.434 -6.226 6.348 1.00 0.00 H new ATOM 0 HA GLU B 632 3.016 -8.878 6.947 1.00 0.00 H new ATOM 0 HB2 GLU B 632 0.635 -7.060 7.281 1.00 0.00 H new ATOM 0 HB3 GLU B 632 0.460 -8.759 7.671 1.00 0.00 H new ATOM 0 HG2 GLU B 632 2.423 -6.802 8.906 1.00 0.00 H new ATOM 0 HG3 GLU B 632 1.020 -7.514 9.678 1.00 0.00 H new ATOM 1692 N ILE B 633 0.852 -8.504 4.498 1.00 0.00 N ATOM 1693 CA ILE B 633 0.172 -9.205 3.416 1.00 0.00 C ATOM 1694 C ILE B 633 1.170 -9.732 2.391 1.00 0.00 C ATOM 1695 O ILE B 633 1.093 -10.886 1.970 1.00 0.00 O ATOM 1696 CB ILE B 633 -0.844 -8.291 2.705 1.00 0.00 C ATOM 1697 CG1 ILE B 633 -1.886 -7.780 3.701 1.00 0.00 C ATOM 1698 CG2 ILE B 633 -1.517 -9.037 1.562 1.00 0.00 C ATOM 1699 CD1 ILE B 633 -2.796 -6.714 3.129 1.00 0.00 C ATOM 0 H ILE B 633 0.749 -7.489 4.474 1.00 0.00 H new ATOM 0 HA ILE B 633 -0.359 -10.043 3.867 1.00 0.00 H new ATOM 0 HB ILE B 633 -0.313 -7.434 2.291 1.00 0.00 H new ATOM 0 HG12 ILE B 633 -2.492 -8.619 4.043 1.00 0.00 H new ATOM 0 HG13 ILE B 633 -1.375 -7.379 4.576 1.00 0.00 H new ATOM 0 HG21 ILE B 633 -2.232 -8.379 1.069 1.00 0.00 H new ATOM 0 HG22 ILE B 633 -0.763 -9.357 0.843 1.00 0.00 H new ATOM 0 HG23 ILE B 633 -2.038 -9.910 1.954 1.00 0.00 H new ATOM 0 HD11 ILE B 633 -3.510 -6.398 3.890 1.00 0.00 H new ATOM 0 HD12 ILE B 633 -2.200 -5.858 2.813 1.00 0.00 H new ATOM 0 HD13 ILE B 633 -3.335 -7.117 2.272 1.00 0.00 H new ATOM 1710 N ALA B 634 2.107 -8.877 1.992 1.00 0.00 N ATOM 1711 CA ALA B 634 3.123 -9.258 1.018 1.00 0.00 C ATOM 1712 C ALA B 634 3.885 -10.497 1.476 1.00 0.00 C ATOM 1713 O ALA B 634 4.297 -11.322 0.659 1.00 0.00 O ATOM 1714 CB ALA B 634 4.085 -8.103 0.781 1.00 0.00 C ATOM 0 H ALA B 634 2.183 -7.917 2.328 1.00 0.00 H new ATOM 0 HA ALA B 634 2.621 -9.498 0.081 1.00 0.00 H new ATOM 0 HB1 ALA B 634 4.838 -8.401 0.052 1.00 0.00 H new ATOM 0 HB2 ALA B 634 3.534 -7.242 0.402 1.00 0.00 H new ATOM 0 HB3 ALA B 634 4.573 -7.837 1.719 1.00 0.00 H new ATOM 1720 N VAL B 635 4.071 -10.621 2.786 1.00 0.00 N ATOM 1721 CA VAL B 635 4.784 -11.761 3.352 1.00 0.00 C ATOM 1722 C VAL B 635 3.900 -13.002 3.383 1.00 0.00 C ATOM 1723 O VAL B 635 4.386 -14.126 3.266 1.00 0.00 O ATOM 1724 CB VAL B 635 5.279 -11.460 4.779 1.00 0.00 C ATOM 1725 CG1 VAL B 635 6.008 -12.665 5.356 1.00 0.00 C ATOM 1726 CG2 VAL B 635 6.176 -10.231 4.785 1.00 0.00 C ATOM 0 H VAL B 635 3.738 -9.947 3.475 1.00 0.00 H new ATOM 0 HA VAL B 635 5.644 -11.948 2.709 1.00 0.00 H new ATOM 0 HB VAL B 635 4.414 -11.252 5.408 1.00 0.00 H new ATOM 0 HG11 VAL B 635 6.351 -12.434 6.365 1.00 0.00 H new ATOM 0 HG12 VAL B 635 5.331 -13.518 5.389 1.00 0.00 H new ATOM 0 HG13 VAL B 635 6.865 -12.907 4.728 1.00 0.00 H new ATOM 0 HG21 VAL B 635 6.516 -10.034 5.802 1.00 0.00 H new ATOM 0 HG22 VAL B 635 7.038 -10.407 4.142 1.00 0.00 H new ATOM 0 HG23 VAL B 635 5.617 -9.371 4.416 1.00 0.00 H new ATOM 1736 N GLU B 636 2.597 -12.790 3.543 1.00 0.00 N ATOM 1737 CA GLU B 636 1.644 -13.893 3.591 1.00 0.00 C ATOM 1738 C GLU B 636 1.537 -14.578 2.232 1.00 0.00 C ATOM 1739 O GLU B 636 1.683 -15.796 2.126 1.00 0.00 O ATOM 1740 CB GLU B 636 0.268 -13.388 4.030 1.00 0.00 C ATOM 1741 CG GLU B 636 -0.002 -13.569 5.514 1.00 0.00 C ATOM 1742 CD GLU B 636 -0.692 -14.884 5.825 1.00 0.00 C ATOM 1743 OE1 GLU B 636 -0.760 -15.747 4.925 1.00 0.00 O ATOM 1744 OE2 GLU B 636 -1.164 -15.049 6.970 1.00 0.00 O ATOM 0 H GLU B 636 2.178 -11.865 3.641 1.00 0.00 H new ATOM 0 HA GLU B 636 2.005 -14.621 4.318 1.00 0.00 H new ATOM 0 HB2 GLU B 636 0.182 -12.331 3.780 1.00 0.00 H new ATOM 0 HB3 GLU B 636 -0.500 -13.913 3.463 1.00 0.00 H new ATOM 0 HG2 GLU B 636 0.940 -13.519 6.060 1.00 0.00 H new ATOM 0 HG3 GLU B 636 -0.620 -12.745 5.870 1.00 0.00 H new ATOM 1749 N GLN B 637 1.281 -13.786 1.195 1.00 0.00 N ATOM 1750 CA GLN B 637 1.153 -14.317 -0.157 1.00 0.00 C ATOM 1751 C GLN B 637 2.452 -14.976 -0.609 1.00 0.00 C ATOM 1752 O GLN B 637 2.439 -15.913 -1.407 1.00 0.00 O ATOM 1753 CB GLN B 637 0.768 -13.201 -1.131 1.00 0.00 C ATOM 1754 CG GLN B 637 1.875 -12.185 -1.360 1.00 0.00 C ATOM 1755 CD GLN B 637 2.577 -12.377 -2.691 1.00 0.00 C ATOM 1756 OE1 GLN B 637 1.936 -12.608 -3.716 1.00 0.00 O ATOM 1757 NE2 GLN B 637 3.902 -12.283 -2.680 1.00 0.00 N ATOM 0 H GLN B 637 1.158 -12.776 1.265 1.00 0.00 H new ATOM 0 HA GLN B 637 0.367 -15.072 -0.151 1.00 0.00 H new ATOM 0 HB2 GLN B 637 0.490 -13.644 -2.087 1.00 0.00 H new ATOM 0 HB3 GLN B 637 -0.114 -12.686 -0.750 1.00 0.00 H new ATOM 0 HG2 GLN B 637 1.455 -11.180 -1.316 1.00 0.00 H new ATOM 0 HG3 GLN B 637 2.605 -12.261 -0.554 1.00 0.00 H new ATOM 0 HE21 GLN B 637 4.392 -12.090 -1.807 1.00 0.00 H new ATOM 0 HE22 GLN B 637 4.429 -12.404 -3.545 1.00 0.00 H new ATOM 1764 N ALA B 638 3.571 -14.480 -0.093 1.00 0.00 N ATOM 1765 CA ALA B 638 4.879 -15.023 -0.441 1.00 0.00 C ATOM 1766 C ALA B 638 4.983 -16.495 -0.057 1.00 0.00 C ATOM 1767 O ALA B 638 5.770 -17.242 -0.636 1.00 0.00 O ATOM 1768 CB ALA B 638 5.980 -14.219 0.234 1.00 0.00 C ATOM 0 H ALA B 638 3.599 -13.703 0.567 1.00 0.00 H new ATOM 0 HA ALA B 638 5.000 -14.948 -1.522 1.00 0.00 H new ATOM 0 HB1 ALA B 638 6.951 -14.635 -0.034 1.00 0.00 H new ATOM 0 HB2 ALA B 638 5.927 -13.181 -0.095 1.00 0.00 H new ATOM 0 HB3 ALA B 638 5.852 -14.264 1.316 1.00 0.00 H new ATOM 1774 N ALA B 639 4.183 -16.903 0.922 1.00 0.00 N ATOM 1775 CA ALA B 639 4.185 -18.287 1.383 1.00 0.00 C ATOM 1776 C ALA B 639 3.307 -19.161 0.495 1.00 0.00 C ATOM 1777 O ALA B 639 3.545 -20.363 0.360 1.00 0.00 O ATOM 1778 CB ALA B 639 3.719 -18.362 2.830 1.00 0.00 C ATOM 0 H ALA B 639 3.525 -16.296 1.411 1.00 0.00 H new ATOM 0 HA ALA B 639 5.206 -18.664 1.323 1.00 0.00 H new ATOM 0 HB1 ALA B 639 3.725 -19.401 3.161 1.00 0.00 H new ATOM 0 HB2 ALA B 639 4.390 -17.777 3.459 1.00 0.00 H new ATOM 0 HB3 ALA B 639 2.708 -17.963 2.908 1.00 0.00 H new ATOM 1784 N LEU B 640 2.290 -18.553 -0.106 1.00 0.00 N ATOM 1785 CA LEU B 640 1.375 -19.277 -0.981 1.00 0.00 C ATOM 1786 C LEU B 640 1.735 -19.059 -2.448 1.00 0.00 C ATOM 1787 O LEU B 640 0.877 -19.145 -3.325 1.00 0.00 O ATOM 1788 CB LEU B 640 -0.066 -18.831 -0.727 1.00 0.00 C ATOM 1789 CG LEU B 640 -0.447 -18.595 0.736 1.00 0.00 C ATOM 1790 CD1 LEU B 640 -1.784 -17.876 0.829 1.00 0.00 C ATOM 1791 CD2 LEU B 640 -0.493 -19.913 1.494 1.00 0.00 C ATOM 0 H LEU B 640 2.078 -17.560 -0.003 1.00 0.00 H new ATOM 0 HA LEU B 640 1.465 -20.340 -0.758 1.00 0.00 H new ATOM 0 HB2 LEU B 640 -0.243 -17.909 -1.281 1.00 0.00 H new ATOM 0 HB3 LEU B 640 -0.737 -19.585 -1.139 1.00 0.00 H new ATOM 0 HG LEU B 640 0.314 -17.963 1.193 1.00 0.00 H new ATOM 0 HD11 LEU B 640 -2.039 -17.716 1.877 1.00 0.00 H new ATOM 0 HD12 LEU B 640 -1.716 -16.914 0.322 1.00 0.00 H new ATOM 0 HD13 LEU B 640 -2.557 -18.482 0.356 1.00 0.00 H new ATOM 0 HD21 LEU B 640 -0.766 -19.726 2.533 1.00 0.00 H new ATOM 0 HD22 LEU B 640 -1.233 -20.570 1.037 1.00 0.00 H new ATOM 0 HD23 LEU B 640 0.487 -20.389 1.456 1.00 0.00 H new ATOM 1802 N GLN B 641 3.009 -18.780 -2.703 1.00 0.00 N ATOM 1803 CA GLN B 641 3.482 -18.551 -4.063 1.00 0.00 C ATOM 1804 C GLN B 641 3.259 -19.784 -4.931 1.00 0.00 C ATOM 1805 O GLN B 641 2.785 -19.681 -6.062 1.00 0.00 O ATOM 1806 CB GLN B 641 4.966 -18.182 -4.054 1.00 0.00 C ATOM 1807 CG GLN B 641 5.238 -16.764 -3.580 1.00 0.00 C ATOM 1808 CD GLN B 641 5.140 -15.745 -4.699 1.00 0.00 C ATOM 1809 OE1 GLN B 641 6.080 -15.563 -5.472 1.00 0.00 O ATOM 1810 NE2 GLN B 641 3.996 -15.077 -4.792 1.00 0.00 N ATOM 0 H GLN B 641 3.731 -18.707 -1.987 1.00 0.00 H new ATOM 0 HA GLN B 641 2.911 -17.724 -4.485 1.00 0.00 H new ATOM 0 HB2 GLN B 641 5.501 -18.880 -3.411 1.00 0.00 H new ATOM 0 HB3 GLN B 641 5.368 -18.303 -5.060 1.00 0.00 H new ATOM 0 HG2 GLN B 641 4.528 -16.505 -2.795 1.00 0.00 H new ATOM 0 HG3 GLN B 641 6.233 -16.718 -3.138 1.00 0.00 H new ATOM 0 HE21 GLN B 641 3.243 -15.260 -4.129 1.00 0.00 H new ATOM 0 HE22 GLN B 641 3.870 -14.380 -5.526 1.00 0.00 H new ATOM 1817 N SER B 642 3.604 -20.951 -4.395 1.00 0.00 N ATOM 1818 CA SER B 642 3.444 -22.204 -5.123 1.00 0.00 C ATOM 1819 C SER B 642 1.980 -22.440 -5.484 1.00 0.00 C ATOM 1820 O SER B 642 1.673 -23.122 -6.461 1.00 0.00 O ATOM 1821 CB SER B 642 3.970 -23.373 -4.290 1.00 0.00 C ATOM 1822 OG SER B 642 5.180 -23.879 -4.827 1.00 0.00 O ATOM 0 H SER B 642 3.996 -21.054 -3.459 1.00 0.00 H new ATOM 0 HA SER B 642 4.021 -22.136 -6.045 1.00 0.00 H new ATOM 0 HB2 SER B 642 4.133 -23.047 -3.263 1.00 0.00 H new ATOM 0 HB3 SER B 642 3.223 -24.166 -4.258 1.00 0.00 H new ATOM 0 HG SER B 642 5.496 -24.625 -4.275 1.00 0.00 H new ATOM 1827 N ALA B 643 1.082 -21.871 -4.687 1.00 0.00 N ATOM 1828 CA ALA B 643 -0.349 -22.018 -4.923 1.00 0.00 C ATOM 1829 C ALA B 643 -0.810 -21.127 -6.072 1.00 0.00 C ATOM 1830 O ALA B 643 -1.786 -21.436 -6.756 1.00 0.00 O ATOM 1831 CB ALA B 643 -1.129 -21.693 -3.656 1.00 0.00 C ATOM 0 H ALA B 643 1.320 -21.304 -3.873 1.00 0.00 H new ATOM 0 HA ALA B 643 -0.542 -23.054 -5.200 1.00 0.00 H new ATOM 0 HB1 ALA B 643 -2.196 -21.807 -3.846 1.00 0.00 H new ATOM 0 HB2 ALA B 643 -0.828 -22.373 -2.859 1.00 0.00 H new ATOM 0 HB3 ALA B 643 -0.922 -20.666 -3.354 1.00 0.00 H new ATOM 1837 N TRP B 644 -0.103 -20.021 -6.278 1.00 0.00 N ATOM 1838 CA TRP B 644 -0.442 -19.086 -7.344 1.00 0.00 C ATOM 1839 C TRP B 644 -0.556 -19.806 -8.683 1.00 0.00 C ATOM 1840 O TRP B 644 0.122 -20.805 -8.920 1.00 0.00 O ATOM 1841 CB TRP B 644 0.610 -17.980 -7.433 1.00 0.00 C ATOM 1842 CG TRP B 644 0.122 -16.750 -8.138 1.00 0.00 C ATOM 1843 CD1 TRP B 644 0.081 -16.541 -9.486 1.00 0.00 C ATOM 1844 CD2 TRP B 644 -0.393 -15.561 -7.528 1.00 0.00 C ATOM 1845 NE1 TRP B 644 -0.428 -15.292 -9.753 1.00 0.00 N ATOM 1846 CE2 TRP B 644 -0.727 -14.672 -8.569 1.00 0.00 C ATOM 1847 CE3 TRP B 644 -0.606 -15.162 -6.206 1.00 0.00 C ATOM 1848 CZ2 TRP B 644 -1.261 -13.410 -8.325 1.00 0.00 C ATOM 1849 CZ3 TRP B 644 -1.135 -13.908 -5.967 1.00 0.00 C ATOM 1850 CH2 TRP B 644 -1.459 -13.044 -7.021 1.00 0.00 C ATOM 0 H TRP B 644 0.708 -19.750 -5.721 1.00 0.00 H new ATOM 0 HA TRP B 644 -1.409 -18.640 -7.109 1.00 0.00 H new ATOM 0 HB2 TRP B 644 0.929 -17.710 -6.426 1.00 0.00 H new ATOM 0 HB3 TRP B 644 1.487 -18.364 -7.953 1.00 0.00 H new ATOM 0 HD1 TRP B 644 0.401 -17.252 -10.233 1.00 0.00 H new ATOM 0 HE1 TRP B 644 -0.561 -14.892 -10.682 1.00 0.00 H new ATOM 0 HE3 TRP B 644 -0.362 -15.821 -5.386 1.00 0.00 H new ATOM 0 HZ2 TRP B 644 -1.511 -12.743 -9.137 1.00 0.00 H new ATOM 0 HZ3 TRP B 644 -1.302 -13.588 -4.949 1.00 0.00 H new ATOM 0 HH2 TRP B 644 -1.873 -12.071 -6.801 1.00 0.00 H new ATOM 1860 N GLN B 645 -1.416 -19.291 -9.556 1.00 0.00 N ATOM 1861 CA GLN B 645 -1.618 -19.886 -10.872 1.00 0.00 C ATOM 1862 C GLN B 645 -0.733 -19.212 -11.915 1.00 0.00 C ATOM 1863 O GLN B 645 0.155 -19.841 -12.491 1.00 0.00 O ATOM 1864 CB GLN B 645 -3.087 -19.777 -11.285 1.00 0.00 C ATOM 1865 CG GLN B 645 -4.051 -20.346 -10.257 1.00 0.00 C ATOM 1866 CD GLN B 645 -4.114 -21.860 -10.290 1.00 0.00 C ATOM 1867 OE1 GLN B 645 -4.681 -22.450 -11.211 1.00 0.00 O ATOM 1868 NE2 GLN B 645 -3.528 -22.500 -9.284 1.00 0.00 N ATOM 0 H GLN B 645 -1.984 -18.463 -9.376 1.00 0.00 H new ATOM 0 HA GLN B 645 -1.342 -20.939 -10.813 1.00 0.00 H new ATOM 0 HB2 GLN B 645 -3.330 -18.729 -11.458 1.00 0.00 H new ATOM 0 HB3 GLN B 645 -3.229 -20.298 -12.232 1.00 0.00 H new ATOM 0 HG2 GLN B 645 -3.748 -20.021 -9.262 1.00 0.00 H new ATOM 0 HG3 GLN B 645 -5.047 -19.941 -10.436 1.00 0.00 H new ATOM 0 HE21 GLN B 645 -3.070 -21.972 -8.542 1.00 0.00 H new ATOM 0 HE22 GLN B 645 -3.537 -23.520 -9.254 1.00 0.00 H new ATOM 1875 N GLY B 646 -0.980 -17.928 -12.155 1.00 0.00 N ATOM 1876 CA GLY B 646 -0.198 -17.191 -13.129 1.00 0.00 C ATOM 1877 C GLY B 646 -0.953 -16.959 -14.424 1.00 0.00 C ATOM 1878 O GLY B 646 -0.599 -16.077 -15.207 1.00 0.00 O ATOM 0 H GLY B 646 -1.709 -17.385 -11.692 1.00 0.00 H new ATOM 0 HA2 GLY B 646 0.093 -16.230 -12.705 1.00 0.00 H new ATOM 0 HA3 GLY B 646 0.721 -17.737 -13.341 1.00 0.00 H new ATOM 1882 N ASP B 647 -1.993 -17.752 -14.649 1.00 0.00 N ATOM 1883 CA ASP B 647 -2.800 -17.631 -15.858 1.00 0.00 C ATOM 1884 C ASP B 647 -4.189 -17.092 -15.533 1.00 0.00 C ATOM 1885 O ASP B 647 -5.152 -17.345 -16.258 1.00 0.00 O ATOM 1886 CB ASP B 647 -2.915 -18.985 -16.559 1.00 0.00 C ATOM 1887 CG ASP B 647 -2.913 -18.858 -18.070 1.00 0.00 C ATOM 1888 OD1 ASP B 647 -1.817 -18.893 -18.667 1.00 0.00 O ATOM 1889 OD2 ASP B 647 -4.008 -18.721 -18.656 1.00 0.00 O ATOM 0 H ASP B 647 -2.298 -18.486 -14.010 1.00 0.00 H new ATOM 0 HA ASP B 647 -2.304 -16.927 -16.526 1.00 0.00 H new ATOM 0 HB2 ASP B 647 -2.086 -19.622 -16.250 1.00 0.00 H new ATOM 0 HB3 ASP B 647 -3.833 -19.479 -16.240 1.00 0.00 H new ATOM 1893 N THR B 648 -4.288 -16.349 -14.434 1.00 0.00 N ATOM 1894 CA THR B 648 -5.559 -15.777 -14.011 1.00 0.00 C ATOM 1895 C THR B 648 -5.439 -14.274 -13.787 1.00 0.00 C ATOM 1896 O THR B 648 -6.212 -13.684 -13.032 1.00 0.00 O ATOM 1897 CB THR B 648 -6.069 -16.437 -12.715 1.00 0.00 C ATOM 1898 OG1 THR B 648 -5.281 -16.002 -11.601 1.00 0.00 O ATOM 1899 CG2 THR B 648 -6.011 -17.954 -12.823 1.00 0.00 C ATOM 0 H THR B 648 -3.502 -16.130 -13.822 1.00 0.00 H new ATOM 0 HA THR B 648 -6.272 -15.967 -14.813 1.00 0.00 H new ATOM 0 HB THR B 648 -7.106 -16.138 -12.564 1.00 0.00 H new ATOM 0 HG1 THR B 648 -4.371 -15.800 -11.903 1.00 0.00 H new ATOM 0 HG21 THR B 648 -6.376 -18.399 -11.897 1.00 0.00 H new ATOM 0 HG22 THR B 648 -6.634 -18.284 -13.654 1.00 0.00 H new ATOM 0 HG23 THR B 648 -4.981 -18.267 -12.995 1.00 0.00 H new ATOM 1907 N GLY B 649 -4.465 -13.657 -14.451 1.00 0.00 N ATOM 1908 CA GLY B 649 -4.262 -12.228 -14.311 1.00 0.00 C ATOM 1909 C GLY B 649 -2.851 -11.882 -13.879 1.00 0.00 C ATOM 1910 O GLY B 649 -1.892 -12.133 -14.609 1.00 0.00 O ATOM 0 H GLY B 649 -3.814 -14.122 -15.083 1.00 0.00 H new ATOM 0 HA2 GLY B 649 -4.478 -11.739 -15.261 1.00 0.00 H new ATOM 0 HA3 GLY B 649 -4.969 -11.834 -13.581 1.00 0.00 H new ATOM 1914 N ILE B 650 -2.723 -11.302 -12.691 1.00 0.00 N ATOM 1915 CA ILE B 650 -1.419 -10.920 -12.164 1.00 0.00 C ATOM 1916 C ILE B 650 -0.586 -12.149 -11.813 1.00 0.00 C ATOM 1917 O ILE B 650 -1.116 -13.160 -11.347 1.00 0.00 O ATOM 1918 CB ILE B 650 -1.555 -10.033 -10.912 1.00 0.00 C ATOM 1919 CG1 ILE B 650 -2.349 -8.767 -11.242 1.00 0.00 C ATOM 1920 CG2 ILE B 650 -0.181 -9.674 -10.365 1.00 0.00 C ATOM 1921 CD1 ILE B 650 -2.511 -7.830 -10.065 1.00 0.00 C ATOM 0 H ILE B 650 -3.507 -11.086 -12.075 1.00 0.00 H new ATOM 0 HA ILE B 650 -0.916 -10.354 -12.948 1.00 0.00 H new ATOM 0 HB ILE B 650 -2.095 -10.590 -10.147 1.00 0.00 H new ATOM 0 HG12 ILE B 650 -1.850 -8.236 -12.053 1.00 0.00 H new ATOM 0 HG13 ILE B 650 -3.336 -9.052 -11.608 1.00 0.00 H new ATOM 0 HG21 ILE B 650 -0.294 -9.047 -9.481 1.00 0.00 H new ATOM 0 HG22 ILE B 650 0.354 -10.585 -10.098 1.00 0.00 H new ATOM 0 HG23 ILE B 650 0.383 -9.132 -11.124 1.00 0.00 H new ATOM 0 HD11 ILE B 650 -3.084 -6.955 -10.373 1.00 0.00 H new ATOM 0 HD12 ILE B 650 -3.038 -8.344 -9.261 1.00 0.00 H new ATOM 0 HD13 ILE B 650 -1.529 -7.515 -9.713 1.00 0.00 H new ATOM 1932 N THR B 651 0.720 -12.056 -12.038 1.00 0.00 N ATOM 1933 CA THR B 651 1.626 -13.160 -11.746 1.00 0.00 C ATOM 1934 C THR B 651 2.306 -12.969 -10.394 1.00 0.00 C ATOM 1935 O THR B 651 2.183 -11.916 -9.769 1.00 0.00 O ATOM 1936 CB THR B 651 2.707 -13.303 -12.834 1.00 0.00 C ATOM 1937 OG1 THR B 651 2.253 -12.709 -14.056 1.00 0.00 O ATOM 1938 CG2 THR B 651 3.044 -14.767 -13.072 1.00 0.00 C ATOM 0 H THR B 651 1.175 -11.227 -12.422 1.00 0.00 H new ATOM 0 HA THR B 651 1.022 -14.067 -11.723 1.00 0.00 H new ATOM 0 HB THR B 651 3.606 -12.790 -12.492 1.00 0.00 H new ATOM 0 HG1 THR B 651 2.946 -12.802 -14.742 1.00 0.00 H new ATOM 0 HG21 THR B 651 3.809 -14.843 -13.844 1.00 0.00 H new ATOM 0 HG22 THR B 651 3.415 -15.210 -12.148 1.00 0.00 H new ATOM 0 HG23 THR B 651 2.149 -15.299 -13.395 1.00 0.00 H new ATOM 1946 N TYR B 652 3.024 -13.995 -9.949 1.00 0.00 N ATOM 1947 CA TYR B 652 3.722 -13.941 -8.670 1.00 0.00 C ATOM 1948 C TYR B 652 4.805 -12.866 -8.686 1.00 0.00 C ATOM 1949 O TYR B 652 5.001 -12.155 -7.700 1.00 0.00 O ATOM 1950 CB TYR B 652 4.343 -15.300 -8.346 1.00 0.00 C ATOM 1951 CG TYR B 652 5.382 -15.747 -9.350 1.00 0.00 C ATOM 1952 CD1 TYR B 652 5.016 -16.454 -10.489 1.00 0.00 C ATOM 1953 CD2 TYR B 652 6.728 -15.462 -9.159 1.00 0.00 C ATOM 1954 CE1 TYR B 652 5.962 -16.865 -11.409 1.00 0.00 C ATOM 1955 CE2 TYR B 652 7.681 -15.867 -10.074 1.00 0.00 C ATOM 1956 CZ TYR B 652 7.292 -16.568 -11.197 1.00 0.00 C ATOM 1957 OH TYR B 652 8.238 -16.975 -12.110 1.00 0.00 O ATOM 0 H TYR B 652 3.138 -14.873 -10.455 1.00 0.00 H new ATOM 0 HA TYR B 652 2.995 -13.688 -7.899 1.00 0.00 H new ATOM 0 HB2 TYR B 652 4.801 -15.254 -7.358 1.00 0.00 H new ATOM 0 HB3 TYR B 652 3.552 -16.049 -8.296 1.00 0.00 H new ATOM 0 HD1 TYR B 652 3.975 -16.686 -10.658 1.00 0.00 H new ATOM 0 HD2 TYR B 652 7.035 -14.914 -8.280 1.00 0.00 H new ATOM 0 HE1 TYR B 652 5.662 -17.415 -12.288 1.00 0.00 H new ATOM 0 HE2 TYR B 652 8.723 -15.636 -9.911 1.00 0.00 H new ATOM 0 HH TYR B 652 9.126 -16.685 -11.813 1.00 0.00 H new ATOM 1966 N GLN B 653 5.503 -12.754 -9.811 1.00 0.00 N ATOM 1967 CA GLN B 653 6.566 -11.767 -9.955 1.00 0.00 C ATOM 1968 C GLN B 653 5.988 -10.365 -10.117 1.00 0.00 C ATOM 1969 O GLN B 653 6.483 -9.407 -9.524 1.00 0.00 O ATOM 1970 CB GLN B 653 7.449 -12.109 -11.156 1.00 0.00 C ATOM 1971 CG GLN B 653 6.682 -12.219 -12.464 1.00 0.00 C ATOM 1972 CD GLN B 653 6.746 -10.946 -13.286 1.00 0.00 C ATOM 1973 OE1 GLN B 653 7.704 -10.179 -13.191 1.00 0.00 O ATOM 1974 NE2 GLN B 653 5.722 -10.716 -14.100 1.00 0.00 N ATOM 0 H GLN B 653 5.352 -13.334 -10.636 1.00 0.00 H new ATOM 0 HA GLN B 653 7.172 -11.788 -9.050 1.00 0.00 H new ATOM 0 HB2 GLN B 653 8.219 -11.345 -11.259 1.00 0.00 H new ATOM 0 HB3 GLN B 653 7.960 -13.052 -10.964 1.00 0.00 H new ATOM 0 HG2 GLN B 653 7.085 -13.046 -13.049 1.00 0.00 H new ATOM 0 HG3 GLN B 653 5.640 -12.458 -12.251 1.00 0.00 H new ATOM 0 HE21 GLN B 653 4.949 -11.379 -14.147 1.00 0.00 H new ATOM 0 HE22 GLN B 653 5.709 -9.876 -14.678 1.00 0.00 H new ATOM 1981 N ALA B 654 4.939 -10.253 -10.925 1.00 0.00 N ATOM 1982 CA ALA B 654 4.293 -8.968 -11.164 1.00 0.00 C ATOM 1983 C ALA B 654 3.608 -8.455 -9.902 1.00 0.00 C ATOM 1984 O ALA B 654 3.651 -7.262 -9.602 1.00 0.00 O ATOM 1985 CB ALA B 654 3.289 -9.086 -12.301 1.00 0.00 C ATOM 0 H ALA B 654 4.518 -11.036 -11.425 1.00 0.00 H new ATOM 0 HA ALA B 654 5.062 -8.249 -11.446 1.00 0.00 H new ATOM 0 HB1 ALA B 654 2.814 -8.119 -12.469 1.00 0.00 H new ATOM 0 HB2 ALA B 654 3.803 -9.400 -13.209 1.00 0.00 H new ATOM 0 HB3 ALA B 654 2.529 -9.823 -12.041 1.00 0.00 H new ATOM 1991 N TRP B 655 2.977 -9.363 -9.166 1.00 0.00 N ATOM 1992 CA TRP B 655 2.282 -9.001 -7.936 1.00 0.00 C ATOM 1993 C TRP B 655 3.264 -8.508 -6.880 1.00 0.00 C ATOM 1994 O TRP B 655 3.042 -7.476 -6.248 1.00 0.00 O ATOM 1995 CB TRP B 655 1.496 -10.199 -7.399 1.00 0.00 C ATOM 1996 CG TRP B 655 0.521 -9.835 -6.321 1.00 0.00 C ATOM 1997 CD1 TRP B 655 -0.834 -9.718 -6.445 1.00 0.00 C ATOM 1998 CD2 TRP B 655 0.826 -9.537 -4.954 1.00 0.00 C ATOM 1999 NE1 TRP B 655 -1.389 -9.366 -5.240 1.00 0.00 N ATOM 2000 CE2 TRP B 655 -0.391 -9.249 -4.308 1.00 0.00 C ATOM 2001 CE3 TRP B 655 2.010 -9.487 -4.213 1.00 0.00 C ATOM 2002 CZ2 TRP B 655 -0.457 -8.917 -2.958 1.00 0.00 C ATOM 2003 CZ3 TRP B 655 1.944 -9.155 -2.872 1.00 0.00 C ATOM 2004 CH2 TRP B 655 0.717 -8.875 -2.256 1.00 0.00 C ATOM 0 H TRP B 655 2.932 -10.355 -9.399 1.00 0.00 H new ATOM 0 HA TRP B 655 1.588 -8.192 -8.165 1.00 0.00 H new ATOM 0 HB2 TRP B 655 0.958 -10.670 -8.222 1.00 0.00 H new ATOM 0 HB3 TRP B 655 2.196 -10.939 -7.011 1.00 0.00 H new ATOM 0 HD1 TRP B 655 -1.388 -9.879 -7.358 1.00 0.00 H new ATOM 0 HE1 TRP B 655 -2.383 -9.216 -5.066 1.00 0.00 H new ATOM 0 HE3 TRP B 655 2.960 -9.704 -4.679 1.00 0.00 H new ATOM 0 HZ2 TRP B 655 -1.401 -8.700 -2.481 1.00 0.00 H new ATOM 0 HZ3 TRP B 655 2.853 -9.111 -2.290 1.00 0.00 H new ATOM 0 HH2 TRP B 655 0.697 -8.621 -1.206 1.00 0.00 H new ATOM 2014 N GLN B 656 4.350 -9.252 -6.694 1.00 0.00 N ATOM 2015 CA GLN B 656 5.366 -8.889 -5.714 1.00 0.00 C ATOM 2016 C GLN B 656 5.831 -7.450 -5.918 1.00 0.00 C ATOM 2017 O GLN B 656 5.846 -6.655 -4.980 1.00 0.00 O ATOM 2018 CB GLN B 656 6.560 -9.840 -5.809 1.00 0.00 C ATOM 2019 CG GLN B 656 6.398 -11.105 -4.981 1.00 0.00 C ATOM 2020 CD GLN B 656 7.488 -11.265 -3.940 1.00 0.00 C ATOM 2021 OE1 GLN B 656 7.769 -10.344 -3.173 1.00 0.00 O ATOM 2022 NE2 GLN B 656 8.108 -12.439 -3.907 1.00 0.00 N ATOM 0 H GLN B 656 4.548 -10.110 -7.209 1.00 0.00 H new ATOM 0 HA GLN B 656 4.922 -8.971 -4.722 1.00 0.00 H new ATOM 0 HB2 GLN B 656 6.712 -10.116 -6.853 1.00 0.00 H new ATOM 0 HB3 GLN B 656 7.458 -9.315 -5.484 1.00 0.00 H new ATOM 0 HG2 GLN B 656 5.427 -11.088 -4.485 1.00 0.00 H new ATOM 0 HG3 GLN B 656 6.403 -11.971 -5.643 1.00 0.00 H new ATOM 0 HE21 GLN B 656 7.843 -13.175 -4.562 1.00 0.00 H new ATOM 0 HE22 GLN B 656 8.850 -12.605 -3.227 1.00 0.00 H new ATOM 2029 N ALA B 657 6.208 -7.125 -7.150 1.00 0.00 N ATOM 2030 CA ALA B 657 6.670 -5.782 -7.477 1.00 0.00 C ATOM 2031 C ALA B 657 5.521 -4.781 -7.441 1.00 0.00 C ATOM 2032 O ALA B 657 5.676 -3.662 -6.954 1.00 0.00 O ATOM 2033 CB ALA B 657 7.338 -5.772 -8.845 1.00 0.00 C ATOM 0 H ALA B 657 6.203 -7.773 -7.938 1.00 0.00 H new ATOM 0 HA ALA B 657 7.400 -5.484 -6.725 1.00 0.00 H new ATOM 0 HB1 ALA B 657 7.678 -4.763 -9.076 1.00 0.00 H new ATOM 0 HB2 ALA B 657 8.191 -6.450 -8.838 1.00 0.00 H new ATOM 0 HB3 ALA B 657 6.623 -6.096 -9.601 1.00 0.00 H new ATOM 2039 N GLN B 658 4.367 -5.192 -7.961 1.00 0.00 N ATOM 2040 CA GLN B 658 3.193 -4.329 -7.988 1.00 0.00 C ATOM 2041 C GLN B 658 2.839 -3.845 -6.586 1.00 0.00 C ATOM 2042 O GLN B 658 2.698 -2.646 -6.351 1.00 0.00 O ATOM 2043 CB GLN B 658 2.003 -5.071 -8.600 1.00 0.00 C ATOM 2044 CG GLN B 658 1.911 -4.934 -10.111 1.00 0.00 C ATOM 2045 CD GLN B 658 0.708 -5.652 -10.690 1.00 0.00 C ATOM 2046 OE1 GLN B 658 -0.433 -5.225 -10.506 1.00 0.00 O ATOM 2047 NE2 GLN B 658 0.957 -6.750 -11.395 1.00 0.00 N ATOM 0 H GLN B 658 4.222 -6.116 -8.368 1.00 0.00 H new ATOM 0 HA GLN B 658 3.427 -3.460 -8.603 1.00 0.00 H new ATOM 0 HB2 GLN B 658 2.074 -6.128 -8.343 1.00 0.00 H new ATOM 0 HB3 GLN B 658 1.083 -4.695 -8.153 1.00 0.00 H new ATOM 0 HG2 GLN B 658 1.860 -3.877 -10.374 1.00 0.00 H new ATOM 0 HG3 GLN B 658 2.819 -5.331 -10.564 1.00 0.00 H new ATOM 0 HE21 GLN B 658 1.918 -7.067 -11.522 1.00 0.00 H new ATOM 0 HE22 GLN B 658 0.187 -7.276 -11.809 1.00 0.00 H new ATOM 2054 N TRP B 659 2.698 -4.786 -5.660 1.00 0.00 N ATOM 2055 CA TRP B 659 2.360 -4.455 -4.280 1.00 0.00 C ATOM 2056 C TRP B 659 3.312 -3.402 -3.725 1.00 0.00 C ATOM 2057 O TRP B 659 2.882 -2.342 -3.270 1.00 0.00 O ATOM 2058 CB TRP B 659 2.404 -5.710 -3.407 1.00 0.00 C ATOM 2059 CG TRP B 659 1.848 -5.497 -2.032 1.00 0.00 C ATOM 2060 CD1 TRP B 659 2.554 -5.213 -0.898 1.00 0.00 C ATOM 2061 CD2 TRP B 659 0.470 -5.554 -1.647 1.00 0.00 C ATOM 2062 NE1 TRP B 659 1.698 -5.089 0.170 1.00 0.00 N ATOM 2063 CE2 TRP B 659 0.415 -5.293 -0.263 1.00 0.00 C ATOM 2064 CE3 TRP B 659 -0.721 -5.798 -2.335 1.00 0.00 C ATOM 2065 CZ2 TRP B 659 -0.786 -5.270 0.442 1.00 0.00 C ATOM 2066 CZ3 TRP B 659 -1.912 -5.776 -1.634 1.00 0.00 C ATOM 2067 CH2 TRP B 659 -1.938 -5.512 -0.257 1.00 0.00 C ATOM 0 H TRP B 659 2.812 -5.784 -5.839 1.00 0.00 H new ATOM 0 HA TRP B 659 1.349 -4.048 -4.267 1.00 0.00 H new ATOM 0 HB2 TRP B 659 1.844 -6.505 -3.898 1.00 0.00 H new ATOM 0 HB3 TRP B 659 3.436 -6.051 -3.325 1.00 0.00 H new ATOM 0 HD1 TRP B 659 3.627 -5.102 -0.848 1.00 0.00 H new ATOM 0 HE1 TRP B 659 1.974 -4.879 1.129 1.00 0.00 H new ATOM 0 HE3 TRP B 659 -0.711 -6.000 -3.396 1.00 0.00 H new ATOM 0 HZ2 TRP B 659 -0.808 -5.068 1.503 1.00 0.00 H new ATOM 0 HZ3 TRP B 659 -2.838 -5.965 -2.156 1.00 0.00 H new ATOM 0 HH2 TRP B 659 -2.885 -5.499 0.262 1.00 0.00 H new ATOM 2077 N ASN B 660 4.606 -3.700 -3.764 1.00 0.00 N ATOM 2078 CA ASN B 660 5.619 -2.777 -3.264 1.00 0.00 C ATOM 2079 C ASN B 660 5.440 -1.390 -3.874 1.00 0.00 C ATOM 2080 O ASN B 660 5.589 -0.378 -3.190 1.00 0.00 O ATOM 2081 CB ASN B 660 7.020 -3.306 -3.578 1.00 0.00 C ATOM 2082 CG ASN B 660 7.883 -3.428 -2.335 1.00 0.00 C ATOM 2083 OD1 ASN B 660 8.273 -2.425 -1.737 1.00 0.00 O ATOM 2084 ND2 ASN B 660 8.184 -4.660 -1.943 1.00 0.00 N ATOM 0 H ASN B 660 4.979 -4.573 -4.137 1.00 0.00 H new ATOM 0 HA ASN B 660 5.501 -2.698 -2.183 1.00 0.00 H new ATOM 0 HB2 ASN B 660 6.938 -4.281 -4.058 1.00 0.00 H new ATOM 0 HB3 ASN B 660 7.506 -2.640 -4.291 1.00 0.00 H new ATOM 0 HD21 ASN B 660 8.761 -4.805 -1.115 1.00 0.00 H new ATOM 0 HD22 ASN B 660 7.838 -5.462 -2.470 1.00 0.00 H new ATOM 2090 N GLN B 661 5.117 -1.352 -5.162 1.00 0.00 N ATOM 2091 CA GLN B 661 4.918 -0.090 -5.863 1.00 0.00 C ATOM 2092 C GLN B 661 3.718 0.664 -5.297 1.00 0.00 C ATOM 2093 O GLN B 661 3.747 1.886 -5.168 1.00 0.00 O ATOM 2094 CB GLN B 661 4.719 -0.338 -7.360 1.00 0.00 C ATOM 2095 CG GLN B 661 5.987 -0.768 -8.079 1.00 0.00 C ATOM 2096 CD GLN B 661 6.737 0.402 -8.685 1.00 0.00 C ATOM 2097 OE1 GLN B 661 6.284 1.011 -9.654 1.00 0.00 O ATOM 2098 NE2 GLN B 661 7.893 0.723 -8.115 1.00 0.00 N ATOM 0 H GLN B 661 4.987 -2.181 -5.742 1.00 0.00 H new ATOM 0 HA GLN B 661 5.809 0.520 -5.719 1.00 0.00 H new ATOM 0 HB2 GLN B 661 3.957 -1.106 -7.494 1.00 0.00 H new ATOM 0 HB3 GLN B 661 4.339 0.573 -7.823 1.00 0.00 H new ATOM 0 HG2 GLN B 661 6.639 -1.289 -7.378 1.00 0.00 H new ATOM 0 HG3 GLN B 661 5.732 -1.478 -8.866 1.00 0.00 H new ATOM 0 HE21 GLN B 661 8.231 0.191 -7.313 1.00 0.00 H new ATOM 0 HE22 GLN B 661 8.442 1.501 -8.479 1.00 0.00 H new ATOM 2105 N ALA B 662 2.666 -0.076 -4.961 1.00 0.00 N ATOM 2106 CA ALA B 662 1.459 0.522 -4.408 1.00 0.00 C ATOM 2107 C ALA B 662 1.678 0.970 -2.967 1.00 0.00 C ATOM 2108 O ALA B 662 1.448 2.130 -2.626 1.00 0.00 O ATOM 2109 CB ALA B 662 0.299 -0.461 -4.486 1.00 0.00 C ATOM 0 H ALA B 662 2.626 -1.090 -5.063 1.00 0.00 H new ATOM 0 HA ALA B 662 1.216 1.403 -5.002 1.00 0.00 H new ATOM 0 HB1 ALA B 662 -0.597 -0.001 -4.069 1.00 0.00 H new ATOM 0 HB2 ALA B 662 0.118 -0.729 -5.527 1.00 0.00 H new ATOM 0 HB3 ALA B 662 0.544 -1.358 -3.918 1.00 0.00 H new ATOM 2115 N MET B 663 2.124 0.043 -2.126 1.00 0.00 N ATOM 2116 CA MET B 663 2.376 0.344 -0.721 1.00 0.00 C ATOM 2117 C MET B 663 3.311 1.541 -0.580 1.00 0.00 C ATOM 2118 O MET B 663 3.048 2.457 0.198 1.00 0.00 O ATOM 2119 CB MET B 663 2.977 -0.874 -0.016 1.00 0.00 C ATOM 2120 CG MET B 663 2.062 -1.480 1.035 1.00 0.00 C ATOM 2121 SD MET B 663 1.684 -0.333 2.373 1.00 0.00 S ATOM 2122 CE MET B 663 -0.106 -0.368 2.355 1.00 0.00 C ATOM 0 H MET B 663 2.318 -0.922 -2.392 1.00 0.00 H new ATOM 0 HA MET B 663 1.424 0.593 -0.252 1.00 0.00 H new ATOM 0 HB2 MET B 663 3.215 -1.634 -0.760 1.00 0.00 H new ATOM 0 HB3 MET B 663 3.916 -0.584 0.455 1.00 0.00 H new ATOM 0 HG2 MET B 663 1.133 -1.799 0.562 1.00 0.00 H new ATOM 0 HG3 MET B 663 2.532 -2.372 1.449 1.00 0.00 H new ATOM 0 HE1 MET B 663 -0.487 0.619 2.090 1.00 0.00 H new ATOM 0 HE2 MET B 663 -0.448 -1.098 1.621 1.00 0.00 H new ATOM 0 HE3 MET B 663 -0.474 -0.646 3.342 1.00 0.00 H new ATOM 2130 N GLU B 664 4.404 1.525 -1.337 1.00 0.00 N ATOM 2131 CA GLU B 664 5.378 2.608 -1.294 1.00 0.00 C ATOM 2132 C GLU B 664 4.733 3.935 -1.685 1.00 0.00 C ATOM 2133 O GLU B 664 5.096 4.991 -1.166 1.00 0.00 O ATOM 2134 CB GLU B 664 6.553 2.306 -2.227 1.00 0.00 C ATOM 2135 CG GLU B 664 7.553 3.444 -2.334 1.00 0.00 C ATOM 2136 CD GLU B 664 8.864 3.010 -2.961 1.00 0.00 C ATOM 2137 OE1 GLU B 664 9.581 2.200 -2.338 1.00 0.00 O ATOM 2138 OE2 GLU B 664 9.172 3.482 -4.076 1.00 0.00 O ATOM 0 H GLU B 664 4.636 0.774 -1.987 1.00 0.00 H new ATOM 0 HA GLU B 664 5.747 2.689 -0.272 1.00 0.00 H new ATOM 0 HB2 GLU B 664 7.068 1.413 -1.872 1.00 0.00 H new ATOM 0 HB3 GLU B 664 6.168 2.078 -3.221 1.00 0.00 H new ATOM 0 HG2 GLU B 664 7.120 4.249 -2.927 1.00 0.00 H new ATOM 0 HG3 GLU B 664 7.746 3.848 -1.340 1.00 0.00 H new ATOM 2143 N ASP B 665 3.774 3.872 -2.601 1.00 0.00 N ATOM 2144 CA ASP B 665 3.077 5.068 -3.062 1.00 0.00 C ATOM 2145 C ASP B 665 2.118 5.583 -1.993 1.00 0.00 C ATOM 2146 O ASP B 665 1.896 6.789 -1.873 1.00 0.00 O ATOM 2147 CB ASP B 665 2.310 4.772 -4.352 1.00 0.00 C ATOM 2148 CG ASP B 665 1.945 6.034 -5.110 1.00 0.00 C ATOM 2149 OD1 ASP B 665 1.798 7.093 -4.465 1.00 0.00 O ATOM 2150 OD2 ASP B 665 1.807 5.961 -6.349 1.00 0.00 O ATOM 0 H ASP B 665 3.461 3.006 -3.040 1.00 0.00 H new ATOM 0 HA ASP B 665 3.821 5.839 -3.260 1.00 0.00 H new ATOM 0 HB2 ASP B 665 2.915 4.129 -4.992 1.00 0.00 H new ATOM 0 HB3 ASP B 665 1.401 4.220 -4.113 1.00 0.00 H new ATOM 2154 N LEU B 666 1.553 4.663 -1.220 1.00 0.00 N ATOM 2155 CA LEU B 666 0.617 5.025 -0.160 1.00 0.00 C ATOM 2156 C LEU B 666 1.339 5.710 0.994 1.00 0.00 C ATOM 2157 O LEU B 666 0.976 6.814 1.402 1.00 0.00 O ATOM 2158 CB LEU B 666 -0.114 3.781 0.347 1.00 0.00 C ATOM 2159 CG LEU B 666 -0.982 3.048 -0.676 1.00 0.00 C ATOM 2160 CD1 LEU B 666 -1.050 1.564 -0.353 1.00 0.00 C ATOM 2161 CD2 LEU B 666 -2.379 3.651 -0.720 1.00 0.00 C ATOM 0 H LEU B 666 1.726 3.661 -1.306 1.00 0.00 H new ATOM 0 HA LEU B 666 -0.110 5.724 -0.574 1.00 0.00 H new ATOM 0 HB2 LEU B 666 0.627 3.081 0.733 1.00 0.00 H new ATOM 0 HB3 LEU B 666 -0.745 4.072 1.187 1.00 0.00 H new ATOM 0 HG LEU B 666 -0.527 3.164 -1.660 1.00 0.00 H new ATOM 0 HD11 LEU B 666 -1.672 1.059 -1.092 1.00 0.00 H new ATOM 0 HD12 LEU B 666 -0.046 1.141 -0.374 1.00 0.00 H new ATOM 0 HD13 LEU B 666 -1.481 1.427 0.639 1.00 0.00 H new ATOM 0 HD21 LEU B 666 -2.983 3.117 -1.454 1.00 0.00 H new ATOM 0 HD22 LEU B 666 -2.843 3.566 0.263 1.00 0.00 H new ATOM 0 HD23 LEU B 666 -2.313 4.702 -1.001 1.00 0.00 H new ATOM 2172 N VAL B 667 2.368 5.050 1.519 1.00 0.00 N ATOM 2173 CA VAL B 667 3.144 5.597 2.625 1.00 0.00 C ATOM 2174 C VAL B 667 3.618 7.014 2.316 1.00 0.00 C ATOM 2175 O VAL B 667 3.542 7.902 3.163 1.00 0.00 O ATOM 2176 CB VAL B 667 4.367 4.715 2.942 1.00 0.00 C ATOM 2177 CG1 VAL B 667 3.930 3.405 3.576 1.00 0.00 C ATOM 2178 CG2 VAL B 667 5.182 4.464 1.682 1.00 0.00 C ATOM 0 H VAL B 667 2.683 4.135 1.195 1.00 0.00 H new ATOM 0 HA VAL B 667 2.486 5.619 3.494 1.00 0.00 H new ATOM 0 HB VAL B 667 4.999 5.242 3.657 1.00 0.00 H new ATOM 0 HG11 VAL B 667 4.807 2.795 3.793 1.00 0.00 H new ATOM 0 HG12 VAL B 667 3.393 3.610 4.502 1.00 0.00 H new ATOM 0 HG13 VAL B 667 3.276 2.868 2.889 1.00 0.00 H new ATOM 0 HG21 VAL B 667 6.042 3.840 1.923 1.00 0.00 H new ATOM 0 HG22 VAL B 667 4.562 3.957 0.942 1.00 0.00 H new ATOM 0 HG23 VAL B 667 5.527 5.415 1.276 1.00 0.00 H new ATOM 2188 N ARG B 668 4.107 7.215 1.097 1.00 0.00 N ATOM 2189 CA ARG B 668 4.594 8.523 0.676 1.00 0.00 C ATOM 2190 C ARG B 668 3.438 9.503 0.501 1.00 0.00 C ATOM 2191 O ARG B 668 3.596 10.706 0.707 1.00 0.00 O ATOM 2192 CB ARG B 668 5.377 8.403 -0.633 1.00 0.00 C ATOM 2193 CG ARG B 668 4.514 8.027 -1.826 1.00 0.00 C ATOM 2194 CD ARG B 668 5.296 8.113 -3.128 1.00 0.00 C ATOM 2195 NE ARG B 668 4.438 8.455 -4.260 1.00 0.00 N ATOM 2196 CZ ARG B 668 4.844 8.429 -5.524 1.00 0.00 C ATOM 2197 NH1 ARG B 668 6.089 8.077 -5.817 1.00 0.00 N ATOM 2198 NH2 ARG B 668 4.004 8.754 -6.499 1.00 0.00 N ATOM 0 H ARG B 668 4.176 6.489 0.384 1.00 0.00 H new ATOM 0 HA ARG B 668 5.256 8.903 1.454 1.00 0.00 H new ATOM 0 HB2 ARG B 668 5.873 9.352 -0.838 1.00 0.00 H new ATOM 0 HB3 ARG B 668 6.160 7.654 -0.511 1.00 0.00 H new ATOM 0 HG2 ARG B 668 4.132 7.014 -1.696 1.00 0.00 H new ATOM 0 HG3 ARG B 668 3.650 8.690 -1.875 1.00 0.00 H new ATOM 0 HD2 ARG B 668 6.082 8.861 -3.030 1.00 0.00 H new ATOM 0 HD3 ARG B 668 5.786 7.159 -3.320 1.00 0.00 H new ATOM 0 HE ARG B 668 3.474 8.729 -4.069 1.00 0.00 H new ATOM 0 HH11 ARG B 668 6.737 7.825 -5.070 1.00 0.00 H new ATOM 0 HH12 ARG B 668 6.398 8.058 -6.789 1.00 0.00 H new ATOM 0 HH21 ARG B 668 3.046 9.024 -6.278 1.00 0.00 H new ATOM 0 HH22 ARG B 668 4.317 8.734 -7.470 1.00 0.00 H new ATOM 2209 N ALA B 669 2.277 8.980 0.119 1.00 0.00 N ATOM 2210 CA ALA B 669 1.095 9.808 -0.082 1.00 0.00 C ATOM 2211 C ALA B 669 0.696 10.517 1.207 1.00 0.00 C ATOM 2212 O ALA B 669 0.057 11.570 1.177 1.00 0.00 O ATOM 2213 CB ALA B 669 -0.059 8.963 -0.601 1.00 0.00 C ATOM 0 H ALA B 669 2.130 7.986 -0.057 1.00 0.00 H new ATOM 0 HA ALA B 669 1.336 10.569 -0.824 1.00 0.00 H new ATOM 0 HB1 ALA B 669 -0.936 9.594 -0.747 1.00 0.00 H new ATOM 0 HB2 ALA B 669 0.222 8.507 -1.551 1.00 0.00 H new ATOM 0 HB3 ALA B 669 -0.291 8.181 0.122 1.00 0.00 H new ATOM 2219 N TYR B 670 1.076 9.935 2.339 1.00 0.00 N ATOM 2220 CA TYR B 670 0.755 10.511 3.639 1.00 0.00 C ATOM 2221 C TYR B 670 1.753 11.601 4.015 1.00 0.00 C ATOM 2222 O TYR B 670 1.374 12.742 4.281 1.00 0.00 O ATOM 2223 CB TYR B 670 0.744 9.422 4.713 1.00 0.00 C ATOM 2224 CG TYR B 670 0.300 9.915 6.072 1.00 0.00 C ATOM 2225 CD1 TYR B 670 -1.049 10.051 6.378 1.00 0.00 C ATOM 2226 CD2 TYR B 670 1.229 10.245 7.051 1.00 0.00 C ATOM 2227 CE1 TYR B 670 -1.458 10.503 7.617 1.00 0.00 C ATOM 2228 CE2 TYR B 670 0.829 10.696 8.294 1.00 0.00 C ATOM 2229 CZ TYR B 670 -0.517 10.824 8.572 1.00 0.00 C ATOM 2230 OH TYR B 670 -0.920 11.273 9.808 1.00 0.00 O ATOM 0 H TYR B 670 1.607 9.065 2.382 1.00 0.00 H new ATOM 0 HA TYR B 670 -0.236 10.959 3.574 1.00 0.00 H new ATOM 0 HB2 TYR B 670 0.083 8.616 4.394 1.00 0.00 H new ATOM 0 HB3 TYR B 670 1.745 8.998 4.799 1.00 0.00 H new ATOM 0 HD1 TYR B 670 -1.790 9.799 5.634 1.00 0.00 H new ATOM 0 HD2 TYR B 670 2.283 10.147 6.836 1.00 0.00 H new ATOM 0 HE1 TYR B 670 -2.510 10.605 7.837 1.00 0.00 H new ATOM 0 HE2 TYR B 670 1.565 10.947 9.044 1.00 0.00 H new ATOM 0 HH TYR B 670 -0.133 11.453 10.363 1.00 0.00 H new ATOM 2239 N HIS B 671 3.033 11.242 4.033 1.00 0.00 N ATOM 2240 CA HIS B 671 4.088 12.189 4.374 1.00 0.00 C ATOM 2241 C HIS B 671 4.122 13.346 3.380 1.00 0.00 C ATOM 2242 O HIS B 671 4.472 14.471 3.735 1.00 0.00 O ATOM 2243 CB HIS B 671 5.445 11.485 4.399 1.00 0.00 C ATOM 2244 CG HIS B 671 6.474 12.197 5.223 1.00 0.00 C ATOM 2245 ND1 HIS B 671 7.248 13.229 4.735 1.00 0.00 N ATOM 2246 CD2 HIS B 671 6.853 12.022 6.511 1.00 0.00 C ATOM 2247 CE1 HIS B 671 8.058 13.656 5.686 1.00 0.00 C ATOM 2248 NE2 HIS B 671 7.839 12.941 6.774 1.00 0.00 N ATOM 0 H HIS B 671 3.364 10.302 3.815 1.00 0.00 H new ATOM 0 HA HIS B 671 3.876 12.590 5.365 1.00 0.00 H new ATOM 0 HB2 HIS B 671 5.314 10.475 4.789 1.00 0.00 H new ATOM 0 HB3 HIS B 671 5.813 11.387 3.378 1.00 0.00 H new ATOM 0 HD2 HIS B 671 6.454 11.295 7.203 1.00 0.00 H new ATOM 0 HE1 HIS B 671 8.778 14.455 5.590 1.00 0.00 H new ATOM 0 HE2 HIS B 671 8.323 13.053 7.665 1.00 0.00 H new ATOM 2255 N ALA B 672 3.755 13.062 2.134 1.00 0.00 N ATOM 2256 CA ALA B 672 3.741 14.079 1.091 1.00 0.00 C ATOM 2257 C ALA B 672 2.674 15.132 1.364 1.00 0.00 C ATOM 2258 O ALA B 672 2.946 16.331 1.322 1.00 0.00 O ATOM 2259 CB ALA B 672 3.516 13.436 -0.270 1.00 0.00 C ATOM 0 H ALA B 672 3.463 12.135 1.823 1.00 0.00 H new ATOM 0 HA ALA B 672 4.711 14.576 1.090 1.00 0.00 H new ATOM 0 HB1 ALA B 672 3.508 14.207 -1.040 1.00 0.00 H new ATOM 0 HB2 ALA B 672 4.319 12.727 -0.475 1.00 0.00 H new ATOM 0 HB3 ALA B 672 2.560 12.912 -0.271 1.00 0.00 H new ATOM 2265 N MET B 673 1.457 14.676 1.644 1.00 0.00 N ATOM 2266 CA MET B 673 0.348 15.579 1.925 1.00 0.00 C ATOM 2267 C MET B 673 0.606 16.378 3.199 1.00 0.00 C ATOM 2268 O MET B 673 0.182 17.527 3.319 1.00 0.00 O ATOM 2269 CB MET B 673 -0.958 14.793 2.058 1.00 0.00 C ATOM 2270 CG MET B 673 -2.122 15.629 2.565 1.00 0.00 C ATOM 2271 SD MET B 673 -2.478 15.338 4.309 1.00 0.00 S ATOM 2272 CE MET B 673 -3.201 13.701 4.238 1.00 0.00 C ATOM 0 H MET B 673 1.215 13.686 1.682 1.00 0.00 H new ATOM 0 HA MET B 673 0.261 16.276 1.091 1.00 0.00 H new ATOM 0 HB2 MET B 673 -1.219 14.372 1.087 1.00 0.00 H new ATOM 0 HB3 MET B 673 -0.800 13.955 2.737 1.00 0.00 H new ATOM 0 HG2 MET B 673 -1.898 16.685 2.415 1.00 0.00 H new ATOM 0 HG3 MET B 673 -3.010 15.404 1.974 1.00 0.00 H new ATOM 0 HE1 MET B 673 -3.742 13.502 5.163 1.00 0.00 H new ATOM 0 HE2 MET B 673 -3.890 13.644 3.396 1.00 0.00 H new ATOM 0 HE3 MET B 673 -2.412 12.960 4.112 1.00 0.00 H new