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: B 652 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: B 653 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Set 2.1: B 637 GLN : amide:sc= -1.19 X(o=-2.4,f=-2.1) USER MOD Set 2.2: B 641 GLN : amide:sc= -1.22 K(o=-2.4,f=-3!) USER MOD Set 3.1: A 75 ASN : amide:sc= -1.46 K(o=-2,f=-2.7) USER MOD Set 3.2: B 648 THR OG1 : rot 38:sc= -0.502 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl -177:sc= -0.696 (180deg=-0.769) USER MOD Single : A 27 HIS :FLIP no HD1:sc= -0.397 F(o=-1.1,f=-0.4) USER MOD Single : A 28 THR OG1 : rot -90:sc= -1.18 USER MOD Single : A 31 GLN : amide:sc= -0.231 X(o=-0.23,f=-0.2) USER MOD Single : A 52 GLN : amide:sc= -0.221 K(o=-0.22,f=-1.4!) USER MOD Single : A 55 HIS :FLIP no HD1:sc= -0.16 F(o=-0.77,f=-0.16) USER MOD Single : A 64 LYS NZ :NH3+ -150:sc= -0.113 (180deg=-0.731) USER MOD Single : A 66 ASN : amide:sc= -0.478 X(o=-0.48,f=-0.042) USER MOD Single : A 67 THR OG1 : rot 77:sc= 0.638 USER MOD Single : A 73 GLN : amide:sc= -0.586 K(o=-0.59,f=-1.3) USER MOD Single : B 622 TYR OH : rot 180:sc= 0 USER MOD Single : B 625 THR OG1 : rot 83:sc= 0.00871 USER MOD Single : B 627 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 628 SER OG : rot 180:sc= 0 USER MOD Single : B 642 SER OG : rot 180:sc= 0 USER MOD Single : B 645 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 651 THR OG1 : rot 180:sc= 0 USER MOD Single : B 656 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 658 GLN : amide:sc= -0.901 K(o=-0.9,f=-2.2!) USER MOD Single : B 660 ASN : amide:sc= -0.259 X(o=-0.26,f=-0.059) USER MOD Single : B 661 GLN : amide:sc= -0.0798 K(o=-0.08,f=-0.9) USER MOD Single : B 663 MET CE :methyl 168:sc= -3.8! (180deg=-4.56!) USER MOD Single : B 670 TYR OH : rot 180:sc= 0 USER MOD Single : B 671 HIS : no HD1:sc= -0.182 X(o=-0.18,f=-0.015) USER MOD Single : B 673 MET CE :methyl -149:sc= -0.152 (180deg=-1.09) USER MOD ----------------------------------------------------------------- ATOM 222 N ALA A 17 -7.690 -16.857 6.348 1.00 0.00 N ATOM 223 CA ALA A 17 -6.894 -16.017 7.233 1.00 0.00 C ATOM 224 C ALA A 17 -6.279 -14.847 6.472 1.00 0.00 C ATOM 225 O ALA A 17 -6.068 -13.771 7.033 1.00 0.00 O ATOM 226 CB ALA A 17 -5.806 -16.840 7.907 1.00 0.00 C ATOM 0 HA ALA A 17 -7.555 -15.612 8.000 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.220 -16.199 8.565 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.263 -17.638 8.491 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.155 -17.273 7.148 1.00 0.00 H new ATOM 232 N PHE A 18 -5.992 -15.063 5.193 1.00 0.00 N ATOM 233 CA PHE A 18 -5.400 -14.028 4.356 1.00 0.00 C ATOM 234 C PHE A 18 -6.321 -12.815 4.256 1.00 0.00 C ATOM 235 O PHE A 18 -5.879 -11.674 4.383 1.00 0.00 O ATOM 236 CB PHE A 18 -5.107 -14.577 2.958 1.00 0.00 C ATOM 237 CG PHE A 18 -4.561 -13.547 2.011 1.00 0.00 C ATOM 238 CD1 PHE A 18 -3.196 -13.319 1.927 1.00 0.00 C ATOM 239 CD2 PHE A 18 -5.411 -12.806 1.205 1.00 0.00 C ATOM 240 CE1 PHE A 18 -2.690 -12.373 1.056 1.00 0.00 C ATOM 241 CE2 PHE A 18 -4.909 -11.858 0.333 1.00 0.00 C ATOM 242 CZ PHE A 18 -3.547 -11.641 0.260 1.00 0.00 C ATOM 0 H PHE A 18 -6.160 -15.947 4.713 1.00 0.00 H new ATOM 0 HA PHE A 18 -4.464 -13.714 4.819 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.394 -15.397 3.041 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -6.024 -14.993 2.540 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -2.521 -13.887 2.549 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -6.477 -12.971 1.259 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.624 -12.207 0.998 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -5.581 -11.288 -0.291 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.153 -10.899 -0.419 1.00 0.00 H new ATOM 251 N ALA A 19 -7.604 -13.073 4.027 1.00 0.00 N ATOM 252 CA ALA A 19 -8.589 -12.005 3.911 1.00 0.00 C ATOM 253 C ALA A 19 -8.514 -11.057 5.104 1.00 0.00 C ATOM 254 O ALA A 19 -8.733 -9.854 4.967 1.00 0.00 O ATOM 255 CB ALA A 19 -9.989 -12.588 3.786 1.00 0.00 C ATOM 0 H ALA A 19 -7.986 -14.013 3.918 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.364 -11.434 3.011 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -10.714 -11.779 3.700 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -10.043 -13.219 2.899 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -10.215 -13.185 4.670 1.00 0.00 H new ATOM 261 N ALA A 20 -8.203 -11.608 6.272 1.00 0.00 N ATOM 262 CA ALA A 20 -8.097 -10.811 7.488 1.00 0.00 C ATOM 263 C ALA A 20 -7.096 -9.674 7.314 1.00 0.00 C ATOM 264 O ALA A 20 -7.296 -8.572 7.827 1.00 0.00 O ATOM 265 CB ALA A 20 -7.699 -11.692 8.663 1.00 0.00 C ATOM 0 H ALA A 20 -8.020 -12.603 6.402 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.074 -10.372 7.691 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.623 -11.084 9.564 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.453 -12.466 8.809 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.735 -12.158 8.458 1.00 0.00 H new ATOM 271 N LYS A 21 -6.017 -9.948 6.589 1.00 0.00 N ATOM 272 CA LYS A 21 -4.984 -8.947 6.346 1.00 0.00 C ATOM 273 C LYS A 21 -5.431 -7.949 5.282 1.00 0.00 C ATOM 274 O LYS A 21 -5.344 -6.738 5.479 1.00 0.00 O ATOM 275 CB LYS A 21 -3.683 -9.624 5.910 1.00 0.00 C ATOM 276 CG LYS A 21 -3.194 -10.685 6.881 1.00 0.00 C ATOM 277 CD LYS A 21 -1.955 -10.225 7.632 1.00 0.00 C ATOM 278 CE LYS A 21 -2.270 -9.072 8.573 1.00 0.00 C ATOM 279 NZ LYS A 21 -1.626 -9.250 9.904 1.00 0.00 N ATOM 0 H LYS A 21 -5.835 -10.855 6.159 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.812 -8.406 7.276 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -3.831 -10.080 4.931 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.909 -8.865 5.794 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -3.985 -10.921 7.593 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.971 -11.603 6.337 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.543 -11.058 8.201 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.190 -9.916 6.920 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.931 -8.137 8.128 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.350 -8.991 8.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.865 -8.444 10.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.969 -10.129 10.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.594 -9.301 9.786 1.00 0.00 H new ATOM 289 N ALA A 22 -5.911 -8.468 4.156 1.00 0.00 N ATOM 290 CA ALA A 22 -6.376 -7.622 3.064 1.00 0.00 C ATOM 291 C ALA A 22 -7.485 -6.685 3.528 1.00 0.00 C ATOM 292 O ALA A 22 -7.551 -5.530 3.110 1.00 0.00 O ATOM 293 CB ALA A 22 -6.857 -8.478 1.902 1.00 0.00 C ATOM 0 H ALA A 22 -5.988 -9.469 3.977 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.538 -7.011 2.729 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.202 -7.833 1.093 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.037 -9.101 1.545 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -7.678 -9.114 2.234 1.00 0.00 H new ATOM 299 N GLY A 23 -8.356 -7.191 4.396 1.00 0.00 N ATOM 300 CA GLY A 23 -9.452 -6.386 4.902 1.00 0.00 C ATOM 301 C GLY A 23 -8.987 -5.320 5.875 1.00 0.00 C ATOM 302 O GLY A 23 -9.641 -4.289 6.037 1.00 0.00 O ATOM 0 H GLY A 23 -8.322 -8.144 4.758 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -9.966 -5.911 4.066 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.177 -7.033 5.396 1.00 0.00 H new ATOM 306 N LEU A 24 -7.856 -5.568 6.525 1.00 0.00 N ATOM 307 CA LEU A 24 -7.304 -4.621 7.489 1.00 0.00 C ATOM 308 C LEU A 24 -6.612 -3.461 6.779 1.00 0.00 C ATOM 309 O LEU A 24 -6.575 -2.342 7.290 1.00 0.00 O ATOM 310 CB LEU A 24 -6.316 -5.328 8.418 1.00 0.00 C ATOM 311 CG LEU A 24 -6.397 -4.950 9.898 1.00 0.00 C ATOM 312 CD1 LEU A 24 -5.912 -6.099 10.769 1.00 0.00 C ATOM 313 CD2 LEU A 24 -5.589 -3.691 10.173 1.00 0.00 C ATOM 0 H LEU A 24 -7.303 -6.416 6.403 1.00 0.00 H new ATOM 0 HA LEU A 24 -8.127 -4.221 8.081 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.471 -6.403 8.329 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.305 -5.121 8.066 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.439 -4.748 10.145 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.977 -5.812 11.819 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.534 -6.976 10.593 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.877 -6.333 10.520 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.659 -3.438 11.231 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.546 -3.863 9.909 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.983 -2.868 9.576 1.00 0.00 H new ATOM 324 N MET A 25 -6.068 -3.737 5.599 1.00 0.00 N ATOM 325 CA MET A 25 -5.382 -2.715 4.816 1.00 0.00 C ATOM 326 C MET A 25 -6.310 -1.542 4.519 1.00 0.00 C ATOM 327 O MET A 25 -6.023 -0.402 4.884 1.00 0.00 O ATOM 328 CB MET A 25 -4.857 -3.310 3.509 1.00 0.00 C ATOM 329 CG MET A 25 -4.254 -2.277 2.570 1.00 0.00 C ATOM 330 SD MET A 25 -2.897 -1.361 3.326 1.00 0.00 S ATOM 331 CE MET A 25 -1.661 -2.648 3.474 1.00 0.00 C ATOM 0 H MET A 25 -6.088 -4.659 5.164 1.00 0.00 H new ATOM 0 HA MET A 25 -4.540 -2.348 5.403 1.00 0.00 H new ATOM 0 HB2 MET A 25 -4.104 -4.063 3.739 1.00 0.00 H new ATOM 0 HB3 MET A 25 -5.673 -3.821 2.998 1.00 0.00 H new ATOM 0 HG2 MET A 25 -3.894 -2.776 1.670 1.00 0.00 H new ATOM 0 HG3 MET A 25 -5.030 -1.578 2.258 1.00 0.00 H new ATOM 0 HE1 MET A 25 -0.779 -2.249 3.975 1.00 0.00 H new ATOM 0 HE2 MET A 25 -2.066 -3.476 4.056 1.00 0.00 H new ATOM 0 HE3 MET A 25 -1.385 -3.003 2.481 1.00 0.00 H new ATOM 339 N ARG A 26 -7.425 -1.830 3.854 1.00 0.00 N ATOM 340 CA ARG A 26 -8.395 -0.798 3.506 1.00 0.00 C ATOM 341 C ARG A 26 -8.861 -0.049 4.751 1.00 0.00 C ATOM 342 O ARG A 26 -9.284 1.106 4.671 1.00 0.00 O ATOM 343 CB ARG A 26 -9.597 -1.419 2.790 1.00 0.00 C ATOM 344 CG ARG A 26 -10.270 -2.528 3.581 1.00 0.00 C ATOM 345 CD ARG A 26 -11.211 -3.343 2.708 1.00 0.00 C ATOM 346 NE ARG A 26 -12.299 -3.938 3.480 1.00 0.00 N ATOM 347 CZ ARG A 26 -13.339 -3.249 3.935 1.00 0.00 C ATOM 348 NH1 ARG A 26 -13.432 -1.947 3.695 1.00 0.00 N ATOM 349 NH2 ARG A 26 -14.288 -3.861 4.630 1.00 0.00 N ATOM 0 H ARG A 26 -7.679 -2.769 3.546 1.00 0.00 H new ATOM 0 HA ARG A 26 -7.910 -0.088 2.837 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -10.328 -0.638 2.581 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -9.271 -1.816 1.829 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -9.511 -3.183 4.010 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -10.826 -2.097 4.413 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -11.627 -2.704 1.929 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -10.649 -4.131 2.207 1.00 0.00 H new ATOM 0 HE ARG A 26 -12.258 -4.937 3.681 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -12.704 -1.474 3.160 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -14.232 -1.420 4.045 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -14.219 -4.862 4.815 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -15.087 -3.331 4.979 1.00 0.00 H new ATOM 360 N HIS A 27 -8.783 -0.713 5.899 1.00 0.00 N ATOM 361 CA HIS A 27 -9.198 -0.110 7.161 1.00 0.00 C ATOM 362 C HIS A 27 -8.169 0.910 7.639 1.00 0.00 C ATOM 363 O HIS A 27 -8.515 1.906 8.275 1.00 0.00 O ATOM 364 CB HIS A 27 -9.395 -1.190 8.226 1.00 0.00 C ATOM 365 CG HIS A 27 -9.978 -0.671 9.504 1.00 0.00 C ATOM 366 ND1 HIS A 27 -9.866 -1.121 10.776 1.00 0.00 N flip ATOM 367 CD2 HIS A 27 -10.789 0.443 9.563 1.00 0.00 C flip ATOM 368 CE1 HIS A 27 -10.602 -0.278 11.573 1.00 0.00 C flip ATOM 369 NE2 HIS A 27 -11.148 0.657 10.817 1.00 0.00 N flip ATOM 0 H HIS A 27 -8.436 -1.669 5.982 1.00 0.00 H new ATOM 0 HA HIS A 27 -10.145 0.404 6.996 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -10.048 -1.967 7.828 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -8.434 -1.659 8.438 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -11.084 1.046 8.717 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -10.716 -0.366 12.643 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -11.746 1.416 11.145 1.00 0.00 H new ATOM 376 N THR A 28 -6.901 0.655 7.329 1.00 0.00 N ATOM 377 CA THR A 28 -5.823 1.550 7.729 1.00 0.00 C ATOM 378 C THR A 28 -5.911 2.881 6.991 1.00 0.00 C ATOM 379 O THR A 28 -5.795 3.946 7.598 1.00 0.00 O ATOM 380 CB THR A 28 -4.443 0.919 7.463 1.00 0.00 C ATOM 381 OG1 THR A 28 -4.508 -0.499 7.649 1.00 0.00 O ATOM 382 CG2 THR A 28 -3.391 1.510 8.389 1.00 0.00 C ATOM 0 H THR A 28 -6.596 -0.164 6.802 1.00 0.00 H new ATOM 0 HA THR A 28 -5.936 1.723 8.799 1.00 0.00 H new ATOM 0 HB THR A 28 -4.161 1.136 6.433 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.301 -0.716 8.582 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.425 1.049 8.183 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.323 2.585 8.223 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.670 1.320 9.425 1.00 0.00 H new ATOM 390 N ILE A 29 -6.118 2.813 5.680 1.00 0.00 N ATOM 391 CA ILE A 29 -6.223 4.015 4.861 1.00 0.00 C ATOM 392 C ILE A 29 -7.540 4.740 5.116 1.00 0.00 C ATOM 393 O ILE A 29 -7.564 5.954 5.313 1.00 0.00 O ATOM 394 CB ILE A 29 -6.115 3.684 3.361 1.00 0.00 C ATOM 395 CG1 ILE A 29 -4.724 3.132 3.037 1.00 0.00 C ATOM 396 CG2 ILE A 29 -6.408 4.919 2.524 1.00 0.00 C ATOM 397 CD1 ILE A 29 -4.583 1.652 3.316 1.00 0.00 C ATOM 0 H ILE A 29 -6.216 1.939 5.163 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.393 4.663 5.143 1.00 0.00 H new ATOM 0 HB ILE A 29 -6.854 2.921 3.118 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.503 3.318 1.986 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.981 3.676 3.620 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -6.328 4.669 1.466 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -7.417 5.273 2.738 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -5.690 5.702 2.767 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -3.573 1.329 3.064 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.772 1.461 4.372 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.302 1.098 2.713 1.00 0.00 H new ATOM 408 N GLY A 30 -8.635 3.986 5.113 1.00 0.00 N ATOM 409 CA GLY A 30 -9.941 4.574 5.347 1.00 0.00 C ATOM 410 C GLY A 30 -9.995 5.372 6.634 1.00 0.00 C ATOM 411 O GLY A 30 -10.498 6.495 6.654 1.00 0.00 O ATOM 0 H GLY A 30 -8.641 2.979 4.953 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.199 5.223 4.510 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -10.691 3.784 5.381 1.00 0.00 H new ATOM 415 N GLN A 31 -9.478 4.791 7.712 1.00 0.00 N ATOM 416 CA GLN A 31 -9.473 5.456 9.010 1.00 0.00 C ATOM 417 C GLN A 31 -8.446 6.583 9.039 1.00 0.00 C ATOM 418 O GLN A 31 -8.719 7.672 9.545 1.00 0.00 O ATOM 419 CB GLN A 31 -9.173 4.448 10.121 1.00 0.00 C ATOM 420 CG GLN A 31 -10.414 3.767 10.675 1.00 0.00 C ATOM 421 CD GLN A 31 -11.338 4.732 11.394 1.00 0.00 C ATOM 422 OE1 GLN A 31 -11.053 5.167 12.510 1.00 0.00 O ATOM 423 NE2 GLN A 31 -12.451 5.072 10.754 1.00 0.00 N ATOM 0 H GLN A 31 -9.057 3.862 7.712 1.00 0.00 H new ATOM 0 HA GLN A 31 -10.461 5.885 9.175 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.492 3.688 9.737 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.655 4.958 10.933 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -10.957 3.290 9.859 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.114 2.977 11.363 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -12.646 4.686 9.830 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -13.111 5.719 11.186 1.00 0.00 H new ATOM 430 N ALA A 32 -7.264 6.315 8.493 1.00 0.00 N ATOM 431 CA ALA A 32 -6.198 7.308 8.456 1.00 0.00 C ATOM 432 C ALA A 32 -6.617 8.535 7.652 1.00 0.00 C ATOM 433 O ALA A 32 -6.136 9.641 7.895 1.00 0.00 O ATOM 434 CB ALA A 32 -4.931 6.700 7.871 1.00 0.00 C ATOM 0 H ALA A 32 -7.021 5.419 8.071 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.997 7.627 9.479 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.143 7.453 7.849 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.613 5.859 8.487 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.129 6.352 6.857 1.00 0.00 H new ATOM 440 N GLU A 33 -7.517 8.330 6.695 1.00 0.00 N ATOM 441 CA GLU A 33 -7.999 9.421 5.856 1.00 0.00 C ATOM 442 C GLU A 33 -8.953 10.324 6.632 1.00 0.00 C ATOM 443 O GLU A 33 -8.921 11.546 6.488 1.00 0.00 O ATOM 444 CB GLU A 33 -8.701 8.866 4.615 1.00 0.00 C ATOM 445 CG GLU A 33 -7.789 8.735 3.406 1.00 0.00 C ATOM 446 CD GLU A 33 -7.328 10.077 2.875 1.00 0.00 C ATOM 447 OE1 GLU A 33 -8.159 11.007 2.808 1.00 0.00 O ATOM 448 OE2 GLU A 33 -6.135 10.200 2.527 1.00 0.00 O ATOM 0 H GLU A 33 -7.926 7.420 6.482 1.00 0.00 H new ATOM 0 HA GLU A 33 -7.139 10.013 5.545 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -9.119 7.888 4.852 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.537 9.517 4.360 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -6.919 8.137 3.675 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.314 8.197 2.616 1.00 0.00 H new ATOM 658 N PHE A 51 -4.263 20.774 -0.514 1.00 0.00 N ATOM 659 CA PHE A 51 -4.708 19.535 0.113 1.00 0.00 C ATOM 660 C PHE A 51 -5.303 18.585 -0.923 1.00 0.00 C ATOM 661 O PHE A 51 -5.156 17.368 -0.819 1.00 0.00 O ATOM 662 CB PHE A 51 -5.740 19.833 1.202 1.00 0.00 C ATOM 663 CG PHE A 51 -6.298 18.599 1.852 1.00 0.00 C ATOM 664 CD1 PHE A 51 -7.375 17.930 1.291 1.00 0.00 C ATOM 665 CD2 PHE A 51 -5.745 18.107 3.024 1.00 0.00 C ATOM 666 CE1 PHE A 51 -7.890 16.794 1.887 1.00 0.00 C ATOM 667 CE2 PHE A 51 -6.256 16.972 3.623 1.00 0.00 C ATOM 668 CZ PHE A 51 -7.331 16.314 3.055 1.00 0.00 C ATOM 0 HA PHE A 51 -3.841 19.053 0.566 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.280 20.460 1.966 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -6.559 20.408 0.768 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -7.817 18.301 0.378 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -4.906 18.617 3.474 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -8.729 16.282 1.439 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -5.815 16.598 4.536 1.00 0.00 H new ATOM 0 HZ PHE A 51 -7.732 15.427 3.523 1.00 0.00 H new ATOM 677 N GLN A 52 -5.976 19.151 -1.919 1.00 0.00 N ATOM 678 CA GLN A 52 -6.595 18.356 -2.972 1.00 0.00 C ATOM 679 C GLN A 52 -5.559 17.487 -3.677 1.00 0.00 C ATOM 680 O GLN A 52 -5.719 16.271 -3.777 1.00 0.00 O ATOM 681 CB GLN A 52 -7.290 19.265 -3.987 1.00 0.00 C ATOM 682 CG GLN A 52 -7.737 18.541 -5.247 1.00 0.00 C ATOM 683 CD GLN A 52 -9.185 18.818 -5.596 1.00 0.00 C ATOM 684 OE1 GLN A 52 -9.759 19.821 -5.167 1.00 0.00 O ATOM 685 NE2 GLN A 52 -9.786 17.931 -6.380 1.00 0.00 N ATOM 0 H GLN A 52 -6.106 20.158 -2.019 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.338 17.705 -2.511 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -8.158 19.725 -3.515 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -6.612 20.072 -4.263 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -7.102 18.843 -6.080 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -7.598 17.468 -5.114 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -9.273 17.114 -6.713 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -10.760 18.066 -6.650 1.00 0.00 H new ATOM 692 N ALA A 53 -4.496 18.118 -4.164 1.00 0.00 N ATOM 693 CA ALA A 53 -3.433 17.401 -4.859 1.00 0.00 C ATOM 694 C ALA A 53 -2.933 16.224 -4.030 1.00 0.00 C ATOM 695 O ALA A 53 -2.783 15.113 -4.538 1.00 0.00 O ATOM 696 CB ALA A 53 -2.285 18.347 -5.184 1.00 0.00 C ATOM 0 H ALA A 53 -4.348 19.124 -4.090 1.00 0.00 H new ATOM 0 HA ALA A 53 -3.841 17.008 -5.790 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -1.498 17.799 -5.703 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -2.647 19.153 -5.822 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.887 18.767 -4.260 1.00 0.00 H new ATOM 702 N ALA A 54 -2.674 16.473 -2.750 1.00 0.00 N ATOM 703 CA ALA A 54 -2.192 15.434 -1.850 1.00 0.00 C ATOM 704 C ALA A 54 -3.236 14.336 -1.670 1.00 0.00 C ATOM 705 O ALA A 54 -2.902 13.153 -1.596 1.00 0.00 O ATOM 706 CB ALA A 54 -1.815 16.032 -0.504 1.00 0.00 C ATOM 0 H ALA A 54 -2.791 17.387 -2.313 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.304 14.986 -2.296 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.457 15.243 0.157 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.029 16.774 -0.643 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.689 16.509 -0.060 1.00 0.00 H new ATOM 712 N HIS A 55 -4.501 14.736 -1.600 1.00 0.00 N ATOM 713 CA HIS A 55 -5.595 13.786 -1.428 1.00 0.00 C ATOM 714 C HIS A 55 -5.752 12.908 -2.666 1.00 0.00 C ATOM 715 O HIS A 55 -5.995 11.706 -2.560 1.00 0.00 O ATOM 716 CB HIS A 55 -6.902 14.527 -1.145 1.00 0.00 C ATOM 717 CG HIS A 55 -8.081 13.618 -0.979 1.00 0.00 C ATOM 718 ND1 HIS A 55 -8.748 12.859 -1.880 1.00 0.00 N flip ATOM 719 CD2 HIS A 55 -8.709 13.414 0.232 1.00 0.00 C flip ATOM 720 CE1 HIS A 55 -9.755 12.215 -1.204 1.00 0.00 C flip ATOM 721 NE2 HIS A 55 -9.709 12.567 0.068 1.00 0.00 N flip ATOM 0 H HIS A 55 -4.795 15.711 -1.660 1.00 0.00 H new ATOM 0 HA HIS A 55 -5.357 13.146 -0.578 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -6.783 15.124 -0.241 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -7.101 15.221 -1.961 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -8.427 13.875 1.167 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -10.468 11.532 -1.641 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -10.339 12.240 0.800 1.00 0.00 H new ATOM 728 N ALA A 56 -5.611 13.517 -3.839 1.00 0.00 N ATOM 729 CA ALA A 56 -5.735 12.791 -5.097 1.00 0.00 C ATOM 730 C ALA A 56 -4.531 11.882 -5.327 1.00 0.00 C ATOM 731 O ALA A 56 -4.649 10.829 -5.954 1.00 0.00 O ATOM 732 CB ALA A 56 -5.893 13.764 -6.255 1.00 0.00 C ATOM 0 H ALA A 56 -5.411 14.512 -3.944 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.625 12.164 -5.040 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.984 13.208 -7.188 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.788 14.368 -6.103 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.020 14.415 -6.305 1.00 0.00 H new ATOM 738 N ARG A 57 -3.377 12.297 -4.818 1.00 0.00 N ATOM 739 CA ARG A 57 -2.152 11.521 -4.971 1.00 0.00 C ATOM 740 C ARG A 57 -2.234 10.214 -4.188 1.00 0.00 C ATOM 741 O ARG A 57 -1.672 9.197 -4.596 1.00 0.00 O ATOM 742 CB ARG A 57 -0.945 12.335 -4.498 1.00 0.00 C ATOM 743 CG ARG A 57 -0.395 13.278 -5.556 1.00 0.00 C ATOM 744 CD ARG A 57 0.819 14.039 -5.046 1.00 0.00 C ATOM 745 NE ARG A 57 2.062 13.541 -5.631 1.00 0.00 N ATOM 746 CZ ARG A 57 2.427 13.774 -6.887 1.00 0.00 C ATOM 747 NH1 ARG A 57 1.650 14.492 -7.685 1.00 0.00 N ATOM 748 NH2 ARG A 57 3.573 13.287 -7.346 1.00 0.00 N ATOM 0 H ARG A 57 -3.264 13.166 -4.296 1.00 0.00 H new ATOM 0 HA ARG A 57 -2.032 11.285 -6.028 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -1.230 12.914 -3.620 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -0.155 11.651 -4.187 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.123 12.710 -6.445 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.170 13.984 -5.854 1.00 0.00 H new ATOM 0 HD2 ARG A 57 0.707 15.098 -5.279 1.00 0.00 H new ATOM 0 HD3 ARG A 57 0.870 13.955 -3.960 1.00 0.00 H new ATOM 0 HE ARG A 57 2.683 12.985 -5.043 1.00 0.00 H new ATOM 0 HH11 ARG A 57 0.769 14.868 -7.335 1.00 0.00 H new ATOM 0 HH12 ARG A 57 1.933 14.669 -8.649 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.173 12.734 -6.735 1.00 0.00 H new ATOM 0 HH22 ARG A 57 3.853 13.466 -8.310 1.00 0.00 H new ATOM 759 N PHE A 58 -2.940 10.249 -3.062 1.00 0.00 N ATOM 760 CA PHE A 58 -3.096 9.066 -2.222 1.00 0.00 C ATOM 761 C PHE A 58 -4.023 8.049 -2.881 1.00 0.00 C ATOM 762 O PHE A 58 -3.656 6.890 -3.070 1.00 0.00 O ATOM 763 CB PHE A 58 -3.646 9.460 -0.849 1.00 0.00 C ATOM 764 CG PHE A 58 -3.439 8.409 0.203 1.00 0.00 C ATOM 765 CD1 PHE A 58 -4.057 7.173 0.097 1.00 0.00 C ATOM 766 CD2 PHE A 58 -2.627 8.656 1.298 1.00 0.00 C ATOM 767 CE1 PHE A 58 -3.869 6.205 1.066 1.00 0.00 C ATOM 768 CE2 PHE A 58 -2.435 7.690 2.269 1.00 0.00 C ATOM 769 CZ PHE A 58 -3.056 6.463 2.151 1.00 0.00 C ATOM 0 H PHE A 58 -3.412 11.082 -2.711 1.00 0.00 H new ATOM 0 HA PHE A 58 -2.115 8.608 -2.096 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.168 10.385 -0.526 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.712 9.667 -0.939 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -4.692 6.964 -0.751 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -2.138 9.614 1.395 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -4.358 5.247 0.974 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -1.800 7.895 3.118 1.00 0.00 H new ATOM 0 HZ PHE A 58 -2.906 5.706 2.907 1.00 0.00 H new ATOM 778 N VAL A 59 -5.228 8.491 -3.225 1.00 0.00 N ATOM 779 CA VAL A 59 -6.208 7.621 -3.863 1.00 0.00 C ATOM 780 C VAL A 59 -5.626 6.953 -5.104 1.00 0.00 C ATOM 781 O VAL A 59 -5.979 5.822 -5.437 1.00 0.00 O ATOM 782 CB VAL A 59 -7.476 8.399 -4.261 1.00 0.00 C ATOM 783 CG1 VAL A 59 -7.108 9.673 -5.006 1.00 0.00 C ATOM 784 CG2 VAL A 59 -8.395 7.526 -5.100 1.00 0.00 C ATOM 0 H VAL A 59 -5.549 9.447 -3.072 1.00 0.00 H new ATOM 0 HA VAL A 59 -6.474 6.857 -3.133 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.010 8.679 -3.353 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -8.016 10.210 -5.279 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.492 10.304 -4.365 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.551 9.419 -5.908 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.286 8.092 -5.372 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -7.874 7.213 -6.005 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -8.685 6.646 -4.526 1.00 0.00 H new ATOM 794 N ALA A 60 -4.729 7.660 -5.784 1.00 0.00 N ATOM 795 CA ALA A 60 -4.095 7.135 -6.987 1.00 0.00 C ATOM 796 C ALA A 60 -3.320 5.858 -6.685 1.00 0.00 C ATOM 797 O ALA A 60 -3.404 4.879 -7.426 1.00 0.00 O ATOM 798 CB ALA A 60 -3.175 8.182 -7.598 1.00 0.00 C ATOM 0 H ALA A 60 -4.425 8.598 -5.522 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.878 6.892 -7.705 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.708 7.777 -8.496 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.754 9.068 -7.859 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.403 8.453 -6.878 1.00 0.00 H new ATOM 804 N ALA A 61 -2.562 5.874 -5.593 1.00 0.00 N ATOM 805 CA ALA A 61 -1.771 4.717 -5.193 1.00 0.00 C ATOM 806 C ALA A 61 -2.639 3.675 -4.496 1.00 0.00 C ATOM 807 O ALA A 61 -2.495 2.475 -4.732 1.00 0.00 O ATOM 808 CB ALA A 61 -0.628 5.147 -4.286 1.00 0.00 C ATOM 0 H ALA A 61 -2.479 6.677 -4.969 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.355 4.263 -6.092 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.046 4.273 -3.995 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.014 5.850 -4.818 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -1.032 5.627 -3.395 1.00 0.00 H new ATOM 814 N ALA A 62 -3.540 4.140 -3.636 1.00 0.00 N ATOM 815 CA ALA A 62 -4.432 3.247 -2.906 1.00 0.00 C ATOM 816 C ALA A 62 -5.144 2.288 -3.853 1.00 0.00 C ATOM 817 O ALA A 62 -5.352 1.120 -3.527 1.00 0.00 O ATOM 818 CB ALA A 62 -5.444 4.052 -2.106 1.00 0.00 C ATOM 0 H ALA A 62 -3.671 5.130 -3.428 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.830 2.654 -2.217 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.104 3.373 -1.566 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.920 4.691 -1.395 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.034 4.670 -2.783 1.00 0.00 H new ATOM 824 N ALA A 63 -5.517 2.790 -5.026 1.00 0.00 N ATOM 825 CA ALA A 63 -6.206 1.977 -6.020 1.00 0.00 C ATOM 826 C ALA A 63 -5.390 0.739 -6.379 1.00 0.00 C ATOM 827 O ALA A 63 -5.919 -0.371 -6.437 1.00 0.00 O ATOM 828 CB ALA A 63 -6.495 2.800 -7.267 1.00 0.00 C ATOM 0 H ALA A 63 -5.353 3.756 -5.311 1.00 0.00 H new ATOM 0 HA ALA A 63 -7.151 1.645 -5.589 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.010 2.180 -8.001 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -7.125 3.650 -7.004 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.558 3.160 -7.690 1.00 0.00 H new ATOM 834 N LYS A 64 -4.098 0.938 -6.618 1.00 0.00 N ATOM 835 CA LYS A 64 -3.207 -0.161 -6.971 1.00 0.00 C ATOM 836 C LYS A 64 -3.223 -1.241 -5.894 1.00 0.00 C ATOM 837 O LYS A 64 -3.445 -2.417 -6.183 1.00 0.00 O ATOM 838 CB LYS A 64 -1.780 0.355 -7.170 1.00 0.00 C ATOM 839 CG LYS A 64 -0.726 -0.737 -7.119 1.00 0.00 C ATOM 840 CD LYS A 64 -1.023 -1.846 -8.114 1.00 0.00 C ATOM 841 CE LYS A 64 0.149 -2.079 -9.055 1.00 0.00 C ATOM 842 NZ LYS A 64 0.535 -0.835 -9.778 1.00 0.00 N ATOM 0 H LYS A 64 -3.645 1.851 -6.574 1.00 0.00 H new ATOM 0 HA LYS A 64 -3.562 -0.598 -7.905 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -1.717 0.864 -8.132 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.560 1.097 -6.402 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.253 -0.309 -7.332 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.680 -1.153 -6.112 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.249 -2.767 -7.577 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -1.910 -1.589 -8.693 1.00 0.00 H new ATOM 0 HE2 LYS A 64 1.003 -2.449 -8.487 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.113 -2.852 -9.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 0.929 -1.082 -10.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.304 -0.234 -9.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 1.249 -0.320 -9.225 1.00 0.00 H new ATOM 852 N VAL A 65 -2.987 -0.834 -4.651 1.00 0.00 N ATOM 853 CA VAL A 65 -2.976 -1.767 -3.530 1.00 0.00 C ATOM 854 C VAL A 65 -4.307 -2.499 -3.412 1.00 0.00 C ATOM 855 O VAL A 65 -4.350 -3.728 -3.374 1.00 0.00 O ATOM 856 CB VAL A 65 -2.681 -1.045 -2.202 1.00 0.00 C ATOM 857 CG1 VAL A 65 -2.478 -2.051 -1.080 1.00 0.00 C ATOM 858 CG2 VAL A 65 -1.465 -0.141 -2.346 1.00 0.00 C ATOM 0 H VAL A 65 -2.801 0.136 -4.395 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.183 -2.489 -3.727 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.540 -0.423 -1.948 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -2.271 -1.522 -0.150 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.380 -2.652 -0.962 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -1.638 -2.702 -1.322 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -1.271 0.361 -1.398 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.597 -0.740 -2.624 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -1.655 0.604 -3.119 1.00 0.00 H new ATOM 868 N ASN A 66 -5.394 -1.736 -3.356 1.00 0.00 N ATOM 869 CA ASN A 66 -6.729 -2.312 -3.243 1.00 0.00 C ATOM 870 C ASN A 66 -6.968 -3.350 -4.335 1.00 0.00 C ATOM 871 O ASN A 66 -7.626 -4.366 -4.108 1.00 0.00 O ATOM 872 CB ASN A 66 -7.790 -1.214 -3.326 1.00 0.00 C ATOM 873 CG ASN A 66 -9.091 -1.711 -3.928 1.00 0.00 C ATOM 874 OD1 ASN A 66 -9.995 -2.142 -3.212 1.00 0.00 O ATOM 875 ND2 ASN A 66 -9.190 -1.655 -5.251 1.00 0.00 N ATOM 0 H ASN A 66 -5.376 -0.717 -3.387 1.00 0.00 H new ATOM 0 HA ASN A 66 -6.803 -2.806 -2.274 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -7.982 -0.821 -2.327 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -7.408 -0.388 -3.925 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -10.041 -1.977 -5.713 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -8.415 -1.290 -5.805 1.00 0.00 H new ATOM 881 N THR A 67 -6.427 -3.089 -5.521 1.00 0.00 N ATOM 882 CA THR A 67 -6.581 -3.999 -6.649 1.00 0.00 C ATOM 883 C THR A 67 -5.764 -5.269 -6.445 1.00 0.00 C ATOM 884 O THR A 67 -6.106 -6.330 -6.969 1.00 0.00 O ATOM 885 CB THR A 67 -6.153 -3.333 -7.970 1.00 0.00 C ATOM 886 OG1 THR A 67 -7.055 -2.270 -8.298 1.00 0.00 O ATOM 887 CG2 THR A 67 -6.126 -4.348 -9.103 1.00 0.00 C ATOM 0 H THR A 67 -5.878 -2.254 -5.725 1.00 0.00 H new ATOM 0 HA THR A 67 -7.639 -4.256 -6.707 1.00 0.00 H new ATOM 0 HB THR A 67 -5.149 -2.930 -7.839 1.00 0.00 H new ATOM 0 HG1 THR A 67 -6.854 -1.487 -7.744 1.00 0.00 H new ATOM 0 HG21 THR A 67 -5.821 -3.855 -10.026 1.00 0.00 H new ATOM 0 HG22 THR A 67 -5.418 -5.141 -8.864 1.00 0.00 H new ATOM 0 HG23 THR A 67 -7.120 -4.776 -9.232 1.00 0.00 H new ATOM 895 N LEU A 68 -4.683 -5.156 -5.681 1.00 0.00 N ATOM 896 CA LEU A 68 -3.816 -6.297 -5.407 1.00 0.00 C ATOM 897 C LEU A 68 -4.495 -7.281 -4.460 1.00 0.00 C ATOM 898 O LEU A 68 -4.513 -8.488 -4.709 1.00 0.00 O ATOM 899 CB LEU A 68 -2.491 -5.824 -4.808 1.00 0.00 C ATOM 900 CG LEU A 68 -1.585 -5.014 -5.735 1.00 0.00 C ATOM 901 CD1 LEU A 68 -0.572 -4.217 -4.929 1.00 0.00 C ATOM 902 CD2 LEU A 68 -0.881 -5.931 -6.725 1.00 0.00 C ATOM 0 H LEU A 68 -4.386 -4.286 -5.240 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.618 -6.807 -6.350 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.709 -5.220 -3.927 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.938 -6.698 -4.466 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.203 -4.313 -6.296 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.064 -3.647 -5.606 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -1.096 -3.533 -4.261 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.043 -4.899 -4.341 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.240 -5.338 -7.378 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.275 -6.656 -6.182 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.623 -6.456 -7.326 1.00 0.00 H new ATOM 913 N LEU A 69 -5.052 -6.758 -3.373 1.00 0.00 N ATOM 914 CA LEU A 69 -5.735 -7.591 -2.388 1.00 0.00 C ATOM 915 C LEU A 69 -6.832 -8.421 -3.045 1.00 0.00 C ATOM 916 O LEU A 69 -7.098 -9.552 -2.634 1.00 0.00 O ATOM 917 CB LEU A 69 -6.332 -6.719 -1.282 1.00 0.00 C ATOM 918 CG LEU A 69 -5.334 -6.103 -0.300 1.00 0.00 C ATOM 919 CD1 LEU A 69 -4.141 -7.026 -0.103 1.00 0.00 C ATOM 920 CD2 LEU A 69 -4.879 -4.736 -0.790 1.00 0.00 C ATOM 0 H LEU A 69 -5.044 -5.762 -3.151 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.003 -8.271 -1.952 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.897 -5.912 -1.748 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.043 -7.321 -0.716 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.831 -5.975 0.662 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.441 -6.572 0.599 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.482 -7.982 0.293 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.643 -7.186 -1.059 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.169 -4.312 -0.079 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.400 -4.839 -1.763 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.742 -4.076 -0.879 1.00 0.00 H new ATOM 931 N ASP A 70 -7.465 -7.857 -4.067 1.00 0.00 N ATOM 932 CA ASP A 70 -8.531 -8.547 -4.783 1.00 0.00 C ATOM 933 C ASP A 70 -7.962 -9.627 -5.696 1.00 0.00 C ATOM 934 O ASP A 70 -8.589 -10.663 -5.916 1.00 0.00 O ATOM 935 CB ASP A 70 -9.353 -7.550 -5.601 1.00 0.00 C ATOM 936 CG ASP A 70 -10.845 -7.793 -5.481 1.00 0.00 C ATOM 937 OD1 ASP A 70 -11.367 -8.650 -6.224 1.00 0.00 O ATOM 938 OD2 ASP A 70 -11.490 -7.126 -4.646 1.00 0.00 O ATOM 0 H ASP A 70 -7.258 -6.922 -4.419 1.00 0.00 H new ATOM 0 HA ASP A 70 -9.180 -9.024 -4.048 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -9.125 -6.537 -5.269 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -9.060 -7.616 -6.649 1.00 0.00 H new ATOM 942 N VAL A 71 -6.769 -9.377 -6.228 1.00 0.00 N ATOM 943 CA VAL A 71 -6.114 -10.329 -7.118 1.00 0.00 C ATOM 944 C VAL A 71 -5.507 -11.486 -6.334 1.00 0.00 C ATOM 945 O VAL A 71 -5.476 -12.621 -6.808 1.00 0.00 O ATOM 946 CB VAL A 71 -5.010 -9.650 -7.950 1.00 0.00 C ATOM 947 CG1 VAL A 71 -4.300 -10.670 -8.828 1.00 0.00 C ATOM 948 CG2 VAL A 71 -5.593 -8.524 -8.792 1.00 0.00 C ATOM 0 H VAL A 71 -6.237 -8.524 -6.058 1.00 0.00 H new ATOM 0 HA VAL A 71 -6.881 -10.714 -7.791 1.00 0.00 H new ATOM 0 HB VAL A 71 -4.277 -9.220 -7.267 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.523 -10.172 -9.409 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.848 -11.438 -8.201 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -5.019 -11.131 -9.505 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -4.799 -8.056 -9.373 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.347 -8.928 -9.467 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.051 -7.781 -8.139 1.00 0.00 H new ATOM 958 N ALA A 72 -5.024 -11.190 -5.132 1.00 0.00 N ATOM 959 CA ALA A 72 -4.419 -12.207 -4.281 1.00 0.00 C ATOM 960 C ALA A 72 -5.426 -13.296 -3.925 1.00 0.00 C ATOM 961 O ALA A 72 -5.140 -14.485 -4.055 1.00 0.00 O ATOM 962 CB ALA A 72 -3.856 -11.572 -3.017 1.00 0.00 C ATOM 0 H ALA A 72 -5.040 -10.255 -4.726 1.00 0.00 H new ATOM 0 HA ALA A 72 -3.603 -12.671 -4.836 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.407 -12.343 -2.391 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.098 -10.837 -3.286 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.659 -11.081 -2.468 1.00 0.00 H new ATOM 968 N GLN A 73 -6.605 -12.880 -3.473 1.00 0.00 N ATOM 969 CA GLN A 73 -7.654 -13.820 -3.096 1.00 0.00 C ATOM 970 C GLN A 73 -8.191 -14.554 -4.321 1.00 0.00 C ATOM 971 O GLN A 73 -8.448 -15.757 -4.273 1.00 0.00 O ATOM 972 CB GLN A 73 -8.792 -13.088 -2.385 1.00 0.00 C ATOM 973 CG GLN A 73 -8.332 -12.248 -1.205 1.00 0.00 C ATOM 974 CD GLN A 73 -9.425 -11.345 -0.670 1.00 0.00 C ATOM 975 OE1 GLN A 73 -10.390 -11.036 -1.369 1.00 0.00 O ATOM 976 NE2 GLN A 73 -9.281 -10.914 0.578 1.00 0.00 N ATOM 0 H GLN A 73 -6.857 -11.898 -3.359 1.00 0.00 H new ATOM 0 HA GLN A 73 -7.223 -14.554 -2.415 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -9.302 -12.444 -3.101 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -9.522 -13.819 -2.037 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -7.987 -12.906 -0.408 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -7.479 -11.640 -1.507 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -8.466 -11.194 1.123 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -9.986 -10.303 0.991 1.00 0.00 H new ATOM 983 N ALA A 74 -8.360 -13.822 -5.417 1.00 0.00 N ATOM 984 CA ALA A 74 -8.867 -14.404 -6.654 1.00 0.00 C ATOM 985 C ALA A 74 -7.897 -15.442 -7.208 1.00 0.00 C ATOM 986 O ALA A 74 -8.297 -16.552 -7.561 1.00 0.00 O ATOM 987 CB ALA A 74 -9.120 -13.314 -7.685 1.00 0.00 C ATOM 0 H ALA A 74 -8.153 -12.825 -5.474 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.809 -14.905 -6.432 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.498 -13.763 -8.604 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.855 -12.609 -7.296 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.188 -12.788 -7.895 1.00 0.00 H new ATOM 993 N ASN A 75 -6.622 -15.075 -7.283 1.00 0.00 N ATOM 994 CA ASN A 75 -5.596 -15.976 -7.796 1.00 0.00 C ATOM 995 C ASN A 75 -5.401 -17.167 -6.863 1.00 0.00 C ATOM 996 O ASN A 75 -5.202 -18.296 -7.312 1.00 0.00 O ATOM 997 CB ASN A 75 -4.273 -15.229 -7.970 1.00 0.00 C ATOM 998 CG ASN A 75 -4.194 -14.494 -9.294 1.00 0.00 C ATOM 999 OD1 ASN A 75 -3.301 -14.742 -10.103 1.00 0.00 O ATOM 1000 ND2 ASN A 75 -5.132 -13.580 -9.521 1.00 0.00 N ATOM 0 H ASN A 75 -6.274 -14.160 -6.995 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.927 -16.348 -8.766 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -4.151 -14.516 -7.154 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -3.447 -15.937 -7.901 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -5.129 -13.052 -10.394 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -5.854 -13.406 -8.822 1.00 0.00 H new ATOM 1006 N LEU A 76 -5.461 -16.907 -5.561 1.00 0.00 N ATOM 1007 CA LEU A 76 -5.292 -17.958 -4.562 1.00 0.00 C ATOM 1008 C LEU A 76 -6.512 -18.873 -4.523 1.00 0.00 C ATOM 1009 O LEU A 76 -6.406 -20.049 -4.178 1.00 0.00 O ATOM 1010 CB LEU A 76 -5.057 -17.342 -3.182 1.00 0.00 C ATOM 1011 CG LEU A 76 -3.663 -16.766 -2.932 1.00 0.00 C ATOM 1012 CD1 LEU A 76 -3.593 -16.112 -1.561 1.00 0.00 C ATOM 1013 CD2 LEU A 76 -2.605 -17.852 -3.063 1.00 0.00 C ATOM 0 H LEU A 76 -5.625 -15.978 -5.172 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.423 -18.554 -4.840 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.789 -16.548 -3.031 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.254 -18.104 -2.428 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.466 -16.003 -3.685 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.593 -15.708 -1.401 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.324 -15.305 -1.505 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.812 -16.853 -0.793 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.619 -17.423 -2.882 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.799 -18.638 -2.333 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.638 -18.273 -4.068 1.00 0.00 H new ATOM 1024 N GLY A 77 -7.669 -18.324 -4.882 1.00 0.00 N ATOM 1025 CA GLY A 77 -8.891 -19.107 -4.881 1.00 0.00 C ATOM 1026 C GLY A 77 -9.427 -19.346 -3.484 1.00 0.00 C ATOM 1027 O GLY A 77 -10.445 -18.774 -3.096 1.00 0.00 O ATOM 0 H GLY A 77 -7.782 -17.353 -5.173 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.648 -18.594 -5.474 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -8.704 -20.066 -5.364 1.00 0.00 H new ATOM 1031 N GLU A 78 -8.740 -20.196 -2.727 1.00 0.00 N ATOM 1032 CA GLU A 78 -9.155 -20.511 -1.365 1.00 0.00 C ATOM 1033 C GLU A 78 -9.357 -19.238 -0.549 1.00 0.00 C ATOM 1034 O GLU A 78 -10.330 -19.112 0.195 1.00 0.00 O ATOM 1035 CB GLU A 78 -8.117 -21.406 -0.686 1.00 0.00 C ATOM 1036 CG GLU A 78 -8.446 -22.888 -0.764 1.00 0.00 C ATOM 1037 CD GLU A 78 -9.083 -23.412 0.508 1.00 0.00 C ATOM 1038 OE1 GLU A 78 -10.312 -23.257 0.664 1.00 0.00 O ATOM 1039 OE2 GLU A 78 -8.351 -23.978 1.348 1.00 0.00 O ATOM 0 H GLU A 78 -7.895 -20.678 -3.033 1.00 0.00 H new ATOM 0 HA GLU A 78 -10.105 -21.043 -1.416 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -7.144 -21.234 -1.147 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -8.030 -21.117 0.361 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -9.120 -23.063 -1.602 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -7.533 -23.449 -0.967 1.00 0.00 H new ATOM 1044 N ALA A 79 -8.430 -18.297 -0.693 1.00 0.00 N ATOM 1045 CA ALA A 79 -8.505 -17.033 0.029 1.00 0.00 C ATOM 1046 C ALA A 79 -9.829 -16.326 -0.238 1.00 0.00 C ATOM 1047 O ALA A 79 -10.299 -15.537 0.580 1.00 0.00 O ATOM 1048 CB ALA A 79 -7.338 -16.136 -0.354 1.00 0.00 C ATOM 0 H ALA A 79 -7.618 -18.386 -1.303 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.447 -17.249 1.096 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.407 -15.196 0.193 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -6.400 -16.633 -0.105 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -7.369 -15.936 -1.425 1.00 0.00 H new ATOM 1533 N ALA B 620 3.622 11.393 9.799 1.00 0.00 N ATOM 1534 CA ALA B 620 4.279 10.245 9.186 1.00 0.00 C ATOM 1535 C ALA B 620 4.013 8.972 9.982 1.00 0.00 C ATOM 1536 O ALA B 620 3.958 7.878 9.422 1.00 0.00 O ATOM 1537 CB ALA B 620 5.775 10.493 9.069 1.00 0.00 C ATOM 0 HA ALA B 620 3.865 10.111 8.187 1.00 0.00 H new ATOM 0 HB1 ALA B 620 6.252 9.628 8.610 1.00 0.00 H new ATOM 0 HB2 ALA B 620 5.951 11.374 8.452 1.00 0.00 H new ATOM 0 HB3 ALA B 620 6.196 10.655 10.061 1.00 0.00 H new ATOM 1543 N GLY B 621 3.849 9.122 11.293 1.00 0.00 N ATOM 1544 CA GLY B 621 3.591 7.975 12.145 1.00 0.00 C ATOM 1545 C GLY B 621 2.421 7.143 11.659 1.00 0.00 C ATOM 1546 O GLY B 621 2.485 5.913 11.656 1.00 0.00 O ATOM 0 H GLY B 621 3.890 10.017 11.780 1.00 0.00 H new ATOM 0 HA2 GLY B 621 4.483 7.351 12.189 1.00 0.00 H new ATOM 0 HA3 GLY B 621 3.392 8.318 13.160 1.00 0.00 H new ATOM 1550 N TYR B 622 1.350 7.813 11.249 1.00 0.00 N ATOM 1551 CA TYR B 622 0.159 7.127 10.763 1.00 0.00 C ATOM 1552 C TYR B 622 0.475 6.308 9.515 1.00 0.00 C ATOM 1553 O TYR B 622 0.253 5.097 9.480 1.00 0.00 O ATOM 1554 CB TYR B 622 -0.948 8.136 10.457 1.00 0.00 C ATOM 1555 CG TYR B 622 -2.156 8.000 11.356 1.00 0.00 C ATOM 1556 CD1 TYR B 622 -2.921 6.841 11.354 1.00 0.00 C ATOM 1557 CD2 TYR B 622 -2.533 9.031 12.208 1.00 0.00 C ATOM 1558 CE1 TYR B 622 -4.026 6.711 12.173 1.00 0.00 C ATOM 1559 CE2 TYR B 622 -3.635 8.911 13.032 1.00 0.00 C ATOM 1560 CZ TYR B 622 -4.379 7.749 13.010 1.00 0.00 C ATOM 1561 OH TYR B 622 -5.479 7.625 13.827 1.00 0.00 O ATOM 0 H TYR B 622 1.282 8.831 11.244 1.00 0.00 H new ATOM 0 HA TYR B 622 -0.183 6.449 11.545 1.00 0.00 H new ATOM 0 HB2 TYR B 622 -0.546 9.144 10.553 1.00 0.00 H new ATOM 0 HB3 TYR B 622 -1.262 8.015 9.420 1.00 0.00 H new ATOM 0 HD1 TYR B 622 -2.647 6.026 10.700 1.00 0.00 H new ATOM 0 HD2 TYR B 622 -1.954 9.942 12.226 1.00 0.00 H new ATOM 0 HE1 TYR B 622 -4.610 5.802 12.158 1.00 0.00 H new ATOM 0 HE2 TYR B 622 -3.913 9.722 13.689 1.00 0.00 H new ATOM 0 HH TYR B 622 -5.589 8.444 14.354 1.00 0.00 H new ATOM 1570 N ALA B 623 0.992 6.978 8.491 1.00 0.00 N ATOM 1571 CA ALA B 623 1.340 6.313 7.241 1.00 0.00 C ATOM 1572 C ALA B 623 2.247 5.112 7.491 1.00 0.00 C ATOM 1573 O ALA B 623 2.183 4.114 6.775 1.00 0.00 O ATOM 1574 CB ALA B 623 2.012 7.295 6.291 1.00 0.00 C ATOM 0 H ALA B 623 1.179 7.981 8.502 1.00 0.00 H new ATOM 0 HA ALA B 623 0.420 5.951 6.782 1.00 0.00 H new ATOM 0 HB1 ALA B 623 2.267 6.786 5.362 1.00 0.00 H new ATOM 0 HB2 ALA B 623 1.331 8.119 6.078 1.00 0.00 H new ATOM 0 HB3 ALA B 623 2.920 7.684 6.752 1.00 0.00 H new ATOM 1580 N GLY B 624 3.091 5.217 8.513 1.00 0.00 N ATOM 1581 CA GLY B 624 3.999 4.133 8.839 1.00 0.00 C ATOM 1582 C GLY B 624 3.284 2.804 8.993 1.00 0.00 C ATOM 1583 O GLY B 624 3.870 1.745 8.769 1.00 0.00 O ATOM 0 H GLY B 624 3.162 6.033 9.121 1.00 0.00 H new ATOM 0 HA2 GLY B 624 4.754 4.048 8.057 1.00 0.00 H new ATOM 0 HA3 GLY B 624 4.524 4.369 9.765 1.00 0.00 H new ATOM 1587 N THR B 625 2.012 2.860 9.378 1.00 0.00 N ATOM 1588 CA THR B 625 1.218 1.652 9.565 1.00 0.00 C ATOM 1589 C THR B 625 1.028 0.910 8.248 1.00 0.00 C ATOM 1590 O THR B 625 1.064 -0.321 8.206 1.00 0.00 O ATOM 1591 CB THR B 625 -0.164 1.977 10.162 1.00 0.00 C ATOM 1592 OG1 THR B 625 -0.011 2.634 11.425 1.00 0.00 O ATOM 1593 CG2 THR B 625 -0.988 0.710 10.341 1.00 0.00 C ATOM 0 H THR B 625 1.511 3.728 9.566 1.00 0.00 H new ATOM 0 HA THR B 625 1.767 1.017 10.260 1.00 0.00 H new ATOM 0 HB THR B 625 -0.687 2.638 9.470 1.00 0.00 H new ATOM 0 HG1 THR B 625 0.138 3.592 11.280 1.00 0.00 H new ATOM 0 HG21 THR B 625 -1.960 0.965 10.764 1.00 0.00 H new ATOM 0 HG22 THR B 625 -1.128 0.228 9.374 1.00 0.00 H new ATOM 0 HG23 THR B 625 -0.467 0.029 11.014 1.00 0.00 H new ATOM 1601 N LEU B 626 0.828 1.663 7.173 1.00 0.00 N ATOM 1602 CA LEU B 626 0.633 1.077 5.851 1.00 0.00 C ATOM 1603 C LEU B 626 1.859 0.274 5.426 1.00 0.00 C ATOM 1604 O LEU B 626 1.736 -0.797 4.832 1.00 0.00 O ATOM 1605 CB LEU B 626 0.343 2.171 4.823 1.00 0.00 C ATOM 1606 CG LEU B 626 -1.113 2.626 4.719 1.00 0.00 C ATOM 1607 CD1 LEU B 626 -1.619 3.106 6.070 1.00 0.00 C ATOM 1608 CD2 LEU B 626 -1.255 3.722 3.674 1.00 0.00 C ATOM 0 H LEU B 626 0.796 2.682 7.190 1.00 0.00 H new ATOM 0 HA LEU B 626 -0.221 0.402 5.902 1.00 0.00 H new ATOM 0 HB2 LEU B 626 0.958 3.039 5.063 1.00 0.00 H new ATOM 0 HB3 LEU B 626 0.662 1.815 3.843 1.00 0.00 H new ATOM 0 HG LEU B 626 -1.719 1.775 4.408 1.00 0.00 H new ATOM 0 HD11 LEU B 626 -2.657 3.426 5.977 1.00 0.00 H new ATOM 0 HD12 LEU B 626 -1.553 2.293 6.793 1.00 0.00 H new ATOM 0 HD13 LEU B 626 -1.010 3.944 6.410 1.00 0.00 H new ATOM 0 HD21 LEU B 626 -2.298 4.034 3.613 1.00 0.00 H new ATOM 0 HD22 LEU B 626 -0.637 4.575 3.955 1.00 0.00 H new ATOM 0 HD23 LEU B 626 -0.932 3.344 2.704 1.00 0.00 H new ATOM 1619 N GLN B 627 3.040 0.799 5.737 1.00 0.00 N ATOM 1620 CA GLN B 627 4.288 0.130 5.388 1.00 0.00 C ATOM 1621 C GLN B 627 4.442 -1.174 6.163 1.00 0.00 C ATOM 1622 O GLN B 627 4.721 -2.223 5.583 1.00 0.00 O ATOM 1623 CB GLN B 627 5.479 1.048 5.670 1.00 0.00 C ATOM 1624 CG GLN B 627 6.689 0.760 4.796 1.00 0.00 C ATOM 1625 CD GLN B 627 7.867 1.660 5.114 1.00 0.00 C ATOM 1626 OE1 GLN B 627 7.818 2.870 4.886 1.00 0.00 O ATOM 1627 NE2 GLN B 627 8.934 1.074 5.644 1.00 0.00 N ATOM 0 H GLN B 627 3.159 1.684 6.229 1.00 0.00 H new ATOM 0 HA GLN B 627 4.261 -0.102 4.323 1.00 0.00 H new ATOM 0 HB2 GLN B 627 5.172 2.083 5.522 1.00 0.00 H new ATOM 0 HB3 GLN B 627 5.765 0.947 6.717 1.00 0.00 H new ATOM 0 HG2 GLN B 627 6.986 -0.281 4.926 1.00 0.00 H new ATOM 0 HG3 GLN B 627 6.414 0.885 3.749 1.00 0.00 H new ATOM 0 HE21 GLN B 627 8.931 0.069 5.816 1.00 0.00 H new ATOM 0 HE22 GLN B 627 9.757 1.629 5.879 1.00 0.00 H new ATOM 1634 N SER B 628 4.259 -1.100 7.477 1.00 0.00 N ATOM 1635 CA SER B 628 4.382 -2.275 8.333 1.00 0.00 C ATOM 1636 C SER B 628 3.310 -3.307 7.996 1.00 0.00 C ATOM 1637 O SER B 628 3.612 -4.474 7.743 1.00 0.00 O ATOM 1638 CB SER B 628 4.274 -1.873 9.806 1.00 0.00 C ATOM 1639 OG SER B 628 4.648 -2.944 10.656 1.00 0.00 O ATOM 0 H SER B 628 4.025 -0.240 7.972 1.00 0.00 H new ATOM 0 HA SER B 628 5.360 -2.722 8.156 1.00 0.00 H new ATOM 0 HB2 SER B 628 4.913 -1.011 9.999 1.00 0.00 H new ATOM 0 HB3 SER B 628 3.252 -1.568 10.029 1.00 0.00 H new ATOM 0 HG SER B 628 4.572 -2.661 11.591 1.00 0.00 H new ATOM 1644 N LEU B 629 2.056 -2.868 7.995 1.00 0.00 N ATOM 1645 CA LEU B 629 0.937 -3.753 7.689 1.00 0.00 C ATOM 1646 C LEU B 629 1.050 -4.306 6.272 1.00 0.00 C ATOM 1647 O LEU B 629 0.681 -5.449 6.008 1.00 0.00 O ATOM 1648 CB LEU B 629 -0.388 -3.008 7.853 1.00 0.00 C ATOM 1649 CG LEU B 629 -1.610 -3.657 7.200 1.00 0.00 C ATOM 1650 CD1 LEU B 629 -1.728 -5.114 7.622 1.00 0.00 C ATOM 1651 CD2 LEU B 629 -2.876 -2.893 7.559 1.00 0.00 C ATOM 0 H LEU B 629 1.789 -1.906 8.202 1.00 0.00 H new ATOM 0 HA LEU B 629 0.966 -4.589 8.388 1.00 0.00 H new ATOM 0 HB2 LEU B 629 -0.588 -2.894 8.918 1.00 0.00 H new ATOM 0 HB3 LEU B 629 -0.271 -2.005 7.442 1.00 0.00 H new ATOM 0 HG LEU B 629 -1.482 -3.621 6.118 1.00 0.00 H new ATOM 0 HD11 LEU B 629 -2.602 -5.560 7.148 1.00 0.00 H new ATOM 0 HD12 LEU B 629 -0.833 -5.655 7.315 1.00 0.00 H new ATOM 0 HD13 LEU B 629 -1.833 -5.172 8.705 1.00 0.00 H new ATOM 0 HD21 LEU B 629 -3.735 -3.369 7.086 1.00 0.00 H new ATOM 0 HD22 LEU B 629 -3.009 -2.897 8.641 1.00 0.00 H new ATOM 0 HD23 LEU B 629 -2.792 -1.864 7.208 1.00 0.00 H new ATOM 1662 N GLY B 630 1.569 -3.487 5.362 1.00 0.00 N ATOM 1663 CA GLY B 630 1.724 -3.911 3.983 1.00 0.00 C ATOM 1664 C GLY B 630 2.565 -5.167 3.855 1.00 0.00 C ATOM 1665 O GLY B 630 2.232 -6.069 3.086 1.00 0.00 O ATOM 0 H GLY B 630 1.885 -2.537 5.556 1.00 0.00 H new ATOM 0 HA2 GLY B 630 0.741 -4.090 3.548 1.00 0.00 H new ATOM 0 HA3 GLY B 630 2.186 -3.108 3.409 1.00 0.00 H new ATOM 1669 N ALA B 631 3.658 -5.224 4.608 1.00 0.00 N ATOM 1670 CA ALA B 631 4.548 -6.378 4.576 1.00 0.00 C ATOM 1671 C ALA B 631 3.810 -7.652 4.976 1.00 0.00 C ATOM 1672 O ALA B 631 4.058 -8.723 4.423 1.00 0.00 O ATOM 1673 CB ALA B 631 5.743 -6.149 5.489 1.00 0.00 C ATOM 0 H ALA B 631 3.949 -4.485 5.248 1.00 0.00 H new ATOM 0 HA ALA B 631 4.905 -6.502 3.554 1.00 0.00 H new ATOM 0 HB1 ALA B 631 6.399 -7.019 5.455 1.00 0.00 H new ATOM 0 HB2 ALA B 631 6.291 -5.268 5.156 1.00 0.00 H new ATOM 0 HB3 ALA B 631 5.396 -5.996 6.511 1.00 0.00 H new ATOM 1679 N GLU B 632 2.905 -7.527 5.942 1.00 0.00 N ATOM 1680 CA GLU B 632 2.133 -8.670 6.416 1.00 0.00 C ATOM 1681 C GLU B 632 1.393 -9.343 5.265 1.00 0.00 C ATOM 1682 O GLU B 632 1.350 -10.570 5.174 1.00 0.00 O ATOM 1683 CB GLU B 632 1.136 -8.229 7.489 1.00 0.00 C ATOM 1684 CG GLU B 632 1.786 -7.557 8.686 1.00 0.00 C ATOM 1685 CD GLU B 632 2.768 -8.465 9.403 1.00 0.00 C ATOM 1686 OE1 GLU B 632 2.319 -9.300 10.214 1.00 0.00 O ATOM 1687 OE2 GLU B 632 3.985 -8.339 9.152 1.00 0.00 O ATOM 0 H GLU B 632 2.689 -6.647 6.411 1.00 0.00 H new ATOM 0 HA GLU B 632 2.827 -9.391 6.848 1.00 0.00 H new ATOM 0 HB2 GLU B 632 0.417 -7.542 7.044 1.00 0.00 H new ATOM 0 HB3 GLU B 632 0.576 -9.099 7.832 1.00 0.00 H new ATOM 0 HG2 GLU B 632 2.304 -6.657 8.356 1.00 0.00 H new ATOM 0 HG3 GLU B 632 1.012 -7.241 9.385 1.00 0.00 H new ATOM 1692 N ILE B 633 0.813 -8.531 4.387 1.00 0.00 N ATOM 1693 CA ILE B 633 0.076 -9.048 3.240 1.00 0.00 C ATOM 1694 C ILE B 633 1.022 -9.611 2.186 1.00 0.00 C ATOM 1695 O ILE B 633 0.714 -10.605 1.528 1.00 0.00 O ATOM 1696 CB ILE B 633 -0.802 -7.958 2.598 1.00 0.00 C ATOM 1697 CG1 ILE B 633 -1.798 -7.406 3.618 1.00 0.00 C ATOM 1698 CG2 ILE B 633 -1.531 -8.513 1.383 1.00 0.00 C ATOM 1699 CD1 ILE B 633 -2.607 -6.236 3.103 1.00 0.00 C ATOM 0 H ILE B 633 0.839 -7.513 4.448 1.00 0.00 H new ATOM 0 HA ILE B 633 -0.565 -9.847 3.611 1.00 0.00 H new ATOM 0 HB ILE B 633 -0.159 -7.141 2.270 1.00 0.00 H new ATOM 0 HG12 ILE B 633 -2.478 -8.203 3.917 1.00 0.00 H new ATOM 0 HG13 ILE B 633 -1.256 -7.097 4.512 1.00 0.00 H new ATOM 0 HG21 ILE B 633 -2.148 -7.731 0.940 1.00 0.00 H new ATOM 0 HG22 ILE B 633 -0.803 -8.861 0.650 1.00 0.00 H new ATOM 0 HG23 ILE B 633 -2.165 -9.346 1.688 1.00 0.00 H new ATOM 0 HD11 ILE B 633 -3.292 -5.897 3.880 1.00 0.00 H new ATOM 0 HD12 ILE B 633 -1.936 -5.422 2.830 1.00 0.00 H new ATOM 0 HD13 ILE B 633 -3.177 -6.545 2.227 1.00 0.00 H new ATOM 1710 N ALA B 634 2.176 -8.970 2.032 1.00 0.00 N ATOM 1711 CA ALA B 634 3.171 -9.409 1.061 1.00 0.00 C ATOM 1712 C ALA B 634 3.771 -10.753 1.459 1.00 0.00 C ATOM 1713 O ALA B 634 3.964 -11.631 0.618 1.00 0.00 O ATOM 1714 CB ALA B 634 4.264 -8.362 0.915 1.00 0.00 C ATOM 0 H ALA B 634 2.445 -8.145 2.567 1.00 0.00 H new ATOM 0 HA ALA B 634 2.674 -9.534 0.099 1.00 0.00 H new ATOM 0 HB1 ALA B 634 5.000 -8.703 0.187 1.00 0.00 H new ATOM 0 HB2 ALA B 634 3.826 -7.423 0.575 1.00 0.00 H new ATOM 0 HB3 ALA B 634 4.751 -8.208 1.878 1.00 0.00 H new ATOM 1720 N VAL B 635 4.065 -10.906 2.746 1.00 0.00 N ATOM 1721 CA VAL B 635 4.643 -12.144 3.255 1.00 0.00 C ATOM 1722 C VAL B 635 3.583 -13.230 3.393 1.00 0.00 C ATOM 1723 O VAL B 635 3.874 -14.417 3.244 1.00 0.00 O ATOM 1724 CB VAL B 635 5.320 -11.927 4.621 1.00 0.00 C ATOM 1725 CG1 VAL B 635 4.286 -11.579 5.681 1.00 0.00 C ATOM 1726 CG2 VAL B 635 6.115 -13.159 5.025 1.00 0.00 C ATOM 0 H VAL B 635 3.913 -10.189 3.455 1.00 0.00 H new ATOM 0 HA VAL B 635 5.394 -12.463 2.532 1.00 0.00 H new ATOM 0 HB VAL B 635 6.012 -11.089 4.534 1.00 0.00 H new ATOM 0 HG11 VAL B 635 4.783 -11.429 6.639 1.00 0.00 H new ATOM 0 HG12 VAL B 635 3.766 -10.665 5.396 1.00 0.00 H new ATOM 0 HG13 VAL B 635 3.567 -12.393 5.769 1.00 0.00 H new ATOM 0 HG21 VAL B 635 6.586 -12.987 5.993 1.00 0.00 H new ATOM 0 HG22 VAL B 635 5.446 -14.017 5.095 1.00 0.00 H new ATOM 0 HG23 VAL B 635 6.883 -13.358 4.278 1.00 0.00 H new ATOM 1736 N GLU B 636 2.352 -12.816 3.677 1.00 0.00 N ATOM 1737 CA GLU B 636 1.249 -13.756 3.835 1.00 0.00 C ATOM 1738 C GLU B 636 1.035 -14.564 2.558 1.00 0.00 C ATOM 1739 O GLU B 636 0.959 -15.792 2.595 1.00 0.00 O ATOM 1740 CB GLU B 636 -0.037 -13.010 4.200 1.00 0.00 C ATOM 1741 CG GLU B 636 -0.293 -12.936 5.696 1.00 0.00 C ATOM 1742 CD GLU B 636 -0.732 -14.265 6.280 1.00 0.00 C ATOM 1743 OE1 GLU B 636 -1.242 -15.111 5.514 1.00 0.00 O ATOM 1744 OE2 GLU B 636 -0.564 -14.460 7.502 1.00 0.00 O ATOM 0 H GLU B 636 2.094 -11.837 3.802 1.00 0.00 H new ATOM 0 HA GLU B 636 1.504 -14.444 4.641 1.00 0.00 H new ATOM 0 HB2 GLU B 636 0.013 -11.998 3.798 1.00 0.00 H new ATOM 0 HB3 GLU B 636 -0.882 -13.503 3.719 1.00 0.00 H new ATOM 0 HG2 GLU B 636 0.615 -12.604 6.200 1.00 0.00 H new ATOM 0 HG3 GLU B 636 -1.059 -12.186 5.893 1.00 0.00 H new ATOM 1749 N GLN B 637 0.939 -13.866 1.432 1.00 0.00 N ATOM 1750 CA GLN B 637 0.734 -14.518 0.145 1.00 0.00 C ATOM 1751 C GLN B 637 1.981 -15.284 -0.284 1.00 0.00 C ATOM 1752 O GLN B 637 1.893 -16.292 -0.985 1.00 0.00 O ATOM 1753 CB GLN B 637 0.364 -13.485 -0.921 1.00 0.00 C ATOM 1754 CG GLN B 637 1.539 -12.636 -1.378 1.00 0.00 C ATOM 1755 CD GLN B 637 2.175 -13.156 -2.653 1.00 0.00 C ATOM 1756 OE1 GLN B 637 1.483 -13.488 -3.615 1.00 0.00 O ATOM 1757 NE2 GLN B 637 3.501 -13.232 -2.664 1.00 0.00 N ATOM 0 H GLN B 637 1.000 -12.849 1.385 1.00 0.00 H new ATOM 0 HA GLN B 637 -0.086 -15.228 0.254 1.00 0.00 H new ATOM 0 HB2 GLN B 637 -0.059 -14.000 -1.784 1.00 0.00 H new ATOM 0 HB3 GLN B 637 -0.415 -12.832 -0.527 1.00 0.00 H new ATOM 0 HG2 GLN B 637 1.202 -11.612 -1.536 1.00 0.00 H new ATOM 0 HG3 GLN B 637 2.290 -12.606 -0.588 1.00 0.00 H new ATOM 0 HE21 GLN B 637 4.035 -12.946 -1.843 1.00 0.00 H new ATOM 0 HE22 GLN B 637 3.985 -13.577 -3.493 1.00 0.00 H new ATOM 1764 N ALA B 638 3.142 -14.799 0.143 1.00 0.00 N ATOM 1765 CA ALA B 638 4.408 -15.438 -0.195 1.00 0.00 C ATOM 1766 C ALA B 638 4.442 -16.882 0.295 1.00 0.00 C ATOM 1767 O ALA B 638 5.162 -17.716 -0.253 1.00 0.00 O ATOM 1768 CB ALA B 638 5.570 -14.653 0.395 1.00 0.00 C ATOM 0 H ALA B 638 3.232 -13.965 0.724 1.00 0.00 H new ATOM 0 HA ALA B 638 4.503 -15.447 -1.281 1.00 0.00 H new ATOM 0 HB1 ALA B 638 6.509 -15.142 0.135 1.00 0.00 H new ATOM 0 HB2 ALA B 638 5.565 -13.639 -0.006 1.00 0.00 H new ATOM 0 HB3 ALA B 638 5.470 -14.615 1.480 1.00 0.00 H new ATOM 1774 N ALA B 639 3.657 -17.170 1.328 1.00 0.00 N ATOM 1775 CA ALA B 639 3.597 -18.514 1.890 1.00 0.00 C ATOM 1776 C ALA B 639 2.654 -19.403 1.085 1.00 0.00 C ATOM 1777 O ALA B 639 2.787 -20.627 1.086 1.00 0.00 O ATOM 1778 CB ALA B 639 3.157 -18.459 3.345 1.00 0.00 C ATOM 0 H ALA B 639 3.054 -16.491 1.793 1.00 0.00 H new ATOM 0 HA ALA B 639 4.596 -18.947 1.840 1.00 0.00 H new ATOM 0 HB1 ALA B 639 3.117 -19.470 3.751 1.00 0.00 H new ATOM 0 HB2 ALA B 639 3.869 -17.865 3.918 1.00 0.00 H new ATOM 0 HB3 ALA B 639 2.169 -18.002 3.409 1.00 0.00 H new ATOM 1784 N LEU B 640 1.703 -18.780 0.399 1.00 0.00 N ATOM 1785 CA LEU B 640 0.736 -19.515 -0.410 1.00 0.00 C ATOM 1786 C LEU B 640 1.087 -19.425 -1.892 1.00 0.00 C ATOM 1787 O LEU B 640 0.217 -19.547 -2.754 1.00 0.00 O ATOM 1788 CB LEU B 640 -0.675 -18.973 -0.175 1.00 0.00 C ATOM 1789 CG LEU B 640 -1.013 -18.588 1.266 1.00 0.00 C ATOM 1790 CD1 LEU B 640 -2.318 -17.808 1.317 1.00 0.00 C ATOM 1791 CD2 LEU B 640 -1.095 -19.828 2.144 1.00 0.00 C ATOM 0 H LEU B 640 1.580 -17.768 0.386 1.00 0.00 H new ATOM 0 HA LEU B 640 0.770 -20.562 -0.109 1.00 0.00 H new ATOM 0 HB2 LEU B 640 -0.816 -18.096 -0.807 1.00 0.00 H new ATOM 0 HB3 LEU B 640 -1.392 -19.724 -0.507 1.00 0.00 H new ATOM 0 HG LEU B 640 -0.217 -17.949 1.648 1.00 0.00 H new ATOM 0 HD11 LEU B 640 -2.543 -17.542 2.350 1.00 0.00 H new ATOM 0 HD12 LEU B 640 -2.223 -16.900 0.721 1.00 0.00 H new ATOM 0 HD13 LEU B 640 -3.125 -18.422 0.916 1.00 0.00 H new ATOM 0 HD21 LEU B 640 -1.336 -19.535 3.166 1.00 0.00 H new ATOM 0 HD22 LEU B 640 -1.871 -20.492 1.764 1.00 0.00 H new ATOM 0 HD23 LEU B 640 -0.136 -20.346 2.132 1.00 0.00 H new ATOM 1802 N GLN B 641 2.367 -19.213 -2.180 1.00 0.00 N ATOM 1803 CA GLN B 641 2.832 -19.107 -3.558 1.00 0.00 C ATOM 1804 C GLN B 641 2.431 -20.339 -4.363 1.00 0.00 C ATOM 1805 O GLN B 641 1.885 -20.224 -5.461 1.00 0.00 O ATOM 1806 CB GLN B 641 4.352 -18.933 -3.594 1.00 0.00 C ATOM 1807 CG GLN B 641 4.819 -17.564 -3.129 1.00 0.00 C ATOM 1808 CD GLN B 641 4.833 -16.540 -4.248 1.00 0.00 C ATOM 1809 OE1 GLN B 641 5.841 -16.368 -4.933 1.00 0.00 O ATOM 1810 NE2 GLN B 641 3.711 -15.857 -4.438 1.00 0.00 N ATOM 0 H GLN B 641 3.100 -19.111 -1.478 1.00 0.00 H new ATOM 0 HA GLN B 641 2.362 -18.232 -4.007 1.00 0.00 H new ATOM 0 HB2 GLN B 641 4.812 -19.697 -2.967 1.00 0.00 H new ATOM 0 HB3 GLN B 641 4.705 -19.102 -4.612 1.00 0.00 H new ATOM 0 HG2 GLN B 641 4.166 -17.214 -2.330 1.00 0.00 H new ATOM 0 HG3 GLN B 641 5.821 -17.650 -2.708 1.00 0.00 H new ATOM 0 HE21 GLN B 641 2.900 -16.034 -3.845 1.00 0.00 H new ATOM 0 HE22 GLN B 641 3.660 -15.156 -5.177 1.00 0.00 H new ATOM 1817 N SER B 642 2.705 -21.517 -3.811 1.00 0.00 N ATOM 1818 CA SER B 642 2.377 -22.770 -4.480 1.00 0.00 C ATOM 1819 C SER B 642 0.893 -22.824 -4.833 1.00 0.00 C ATOM 1820 O SER B 642 0.493 -23.506 -5.776 1.00 0.00 O ATOM 1821 CB SER B 642 2.744 -23.959 -3.590 1.00 0.00 C ATOM 1822 OG SER B 642 4.150 -24.088 -3.469 1.00 0.00 O ATOM 0 H SER B 642 3.154 -21.629 -2.902 1.00 0.00 H new ATOM 0 HA SER B 642 2.955 -22.824 -5.402 1.00 0.00 H new ATOM 0 HB2 SER B 642 2.301 -23.829 -2.603 1.00 0.00 H new ATOM 0 HB3 SER B 642 2.326 -24.874 -4.009 1.00 0.00 H new ATOM 0 HG SER B 642 4.360 -24.854 -2.894 1.00 0.00 H new ATOM 1827 N ALA B 643 0.083 -22.099 -4.069 1.00 0.00 N ATOM 1828 CA ALA B 643 -1.356 -22.062 -4.302 1.00 0.00 C ATOM 1829 C ALA B 643 -1.704 -21.120 -5.448 1.00 0.00 C ATOM 1830 O ALA B 643 -2.680 -21.334 -6.166 1.00 0.00 O ATOM 1831 CB ALA B 643 -2.085 -21.643 -3.033 1.00 0.00 C ATOM 0 H ALA B 643 0.398 -21.529 -3.284 1.00 0.00 H new ATOM 0 HA ALA B 643 -1.679 -23.065 -4.581 1.00 0.00 H new ATOM 0 HB1 ALA B 643 -3.158 -21.619 -3.221 1.00 0.00 H new ATOM 0 HB2 ALA B 643 -1.871 -22.357 -2.238 1.00 0.00 H new ATOM 0 HB3 ALA B 643 -1.748 -20.652 -2.730 1.00 0.00 H new ATOM 1837 N TRP B 644 -0.898 -20.077 -5.616 1.00 0.00 N ATOM 1838 CA TRP B 644 -1.121 -19.102 -6.677 1.00 0.00 C ATOM 1839 C TRP B 644 -1.268 -19.791 -8.028 1.00 0.00 C ATOM 1840 O TRP B 644 -0.694 -20.854 -8.257 1.00 0.00 O ATOM 1841 CB TRP B 644 0.032 -18.098 -6.725 1.00 0.00 C ATOM 1842 CG TRP B 644 -0.286 -16.864 -7.515 1.00 0.00 C ATOM 1843 CD1 TRP B 644 -0.221 -16.719 -8.872 1.00 0.00 C ATOM 1844 CD2 TRP B 644 -0.718 -15.602 -6.995 1.00 0.00 C ATOM 1845 NE1 TRP B 644 -0.587 -15.444 -9.226 1.00 0.00 N ATOM 1846 CE2 TRP B 644 -0.897 -14.738 -8.094 1.00 0.00 C ATOM 1847 CE3 TRP B 644 -0.973 -15.117 -5.709 1.00 0.00 C ATOM 1848 CZ2 TRP B 644 -1.317 -13.420 -7.943 1.00 0.00 C ATOM 1849 CZ3 TRP B 644 -1.390 -13.808 -5.561 1.00 0.00 C ATOM 1850 CH2 TRP B 644 -1.560 -12.972 -6.673 1.00 0.00 C ATOM 0 H TRP B 644 -0.085 -19.885 -5.031 1.00 0.00 H new ATOM 0 HA TRP B 644 -2.048 -18.571 -6.459 1.00 0.00 H new ATOM 0 HB2 TRP B 644 0.297 -17.811 -5.707 1.00 0.00 H new ATOM 0 HB3 TRP B 644 0.908 -18.582 -7.158 1.00 0.00 H new ATOM 0 HD1 TRP B 644 0.075 -17.493 -9.564 1.00 0.00 H new ATOM 0 HE1 TRP B 644 -0.622 -15.081 -10.179 1.00 0.00 H new ATOM 0 HE3 TRP B 644 -0.846 -15.754 -4.846 1.00 0.00 H new ATOM 0 HZ2 TRP B 644 -1.447 -12.773 -8.798 1.00 0.00 H new ATOM 0 HZ3 TRP B 644 -1.588 -13.423 -4.572 1.00 0.00 H new ATOM 0 HH2 TRP B 644 -1.889 -11.954 -6.525 1.00 0.00 H new ATOM 1860 N GLN B 645 -2.040 -19.178 -8.919 1.00 0.00 N ATOM 1861 CA GLN B 645 -2.263 -19.735 -10.248 1.00 0.00 C ATOM 1862 C GLN B 645 -1.315 -19.110 -11.266 1.00 0.00 C ATOM 1863 O GLN B 645 -0.452 -19.787 -11.823 1.00 0.00 O ATOM 1864 CB GLN B 645 -3.713 -19.514 -10.682 1.00 0.00 C ATOM 1865 CG GLN B 645 -4.731 -20.133 -9.738 1.00 0.00 C ATOM 1866 CD GLN B 645 -4.868 -21.631 -9.928 1.00 0.00 C ATOM 1867 OE1 GLN B 645 -5.561 -22.092 -10.835 1.00 0.00 O ATOM 1868 NE2 GLN B 645 -4.205 -22.400 -9.073 1.00 0.00 N ATOM 0 H GLN B 645 -2.521 -18.296 -8.745 1.00 0.00 H new ATOM 0 HA GLN B 645 -2.065 -20.806 -10.202 1.00 0.00 H new ATOM 0 HB2 GLN B 645 -3.902 -18.443 -10.756 1.00 0.00 H new ATOM 0 HB3 GLN B 645 -3.853 -19.932 -11.679 1.00 0.00 H new ATOM 0 HG2 GLN B 645 -4.439 -19.926 -8.708 1.00 0.00 H new ATOM 0 HG3 GLN B 645 -5.701 -19.661 -9.895 1.00 0.00 H new ATOM 0 HE21 GLN B 645 -3.642 -21.975 -8.336 1.00 0.00 H new ATOM 0 HE22 GLN B 645 -4.258 -23.415 -9.153 1.00 0.00 H new ATOM 1875 N GLY B 646 -1.482 -17.812 -11.504 1.00 0.00 N ATOM 1876 CA GLY B 646 -0.634 -17.118 -12.455 1.00 0.00 C ATOM 1877 C GLY B 646 -1.346 -16.824 -13.760 1.00 0.00 C ATOM 1878 O GLY B 646 -1.033 -15.846 -14.440 1.00 0.00 O ATOM 0 H GLY B 646 -2.189 -17.230 -11.055 1.00 0.00 H new ATOM 0 HA2 GLY B 646 -0.289 -16.183 -12.014 1.00 0.00 H new ATOM 0 HA3 GLY B 646 0.251 -17.722 -12.656 1.00 0.00 H new ATOM 1882 N ASP B 647 -2.307 -17.672 -14.112 1.00 0.00 N ATOM 1883 CA ASP B 647 -3.065 -17.498 -15.346 1.00 0.00 C ATOM 1884 C ASP B 647 -4.385 -16.784 -15.075 1.00 0.00 C ATOM 1885 O ASP B 647 -5.354 -16.943 -15.819 1.00 0.00 O ATOM 1886 CB ASP B 647 -3.330 -18.854 -16.001 1.00 0.00 C ATOM 1887 CG ASP B 647 -2.073 -19.695 -16.123 1.00 0.00 C ATOM 1888 OD1 ASP B 647 -1.311 -19.485 -17.088 1.00 0.00 O ATOM 1889 OD2 ASP B 647 -1.854 -20.563 -15.251 1.00 0.00 O ATOM 0 H ASP B 647 -2.579 -18.486 -13.561 1.00 0.00 H new ATOM 0 HA ASP B 647 -2.473 -16.884 -16.025 1.00 0.00 H new ATOM 0 HB2 ASP B 647 -4.072 -19.398 -15.416 1.00 0.00 H new ATOM 0 HB3 ASP B 647 -3.757 -18.698 -16.992 1.00 0.00 H new ATOM 1893 N THR B 648 -4.417 -15.995 -14.006 1.00 0.00 N ATOM 1894 CA THR B 648 -5.618 -15.257 -13.636 1.00 0.00 C ATOM 1895 C THR B 648 -5.319 -13.773 -13.459 1.00 0.00 C ATOM 1896 O THR B 648 -6.029 -13.067 -12.744 1.00 0.00 O ATOM 1897 CB THR B 648 -6.234 -15.804 -12.334 1.00 0.00 C ATOM 1898 OG1 THR B 648 -5.200 -16.107 -11.392 1.00 0.00 O ATOM 1899 CG2 THR B 648 -7.060 -17.051 -12.608 1.00 0.00 C ATOM 0 H THR B 648 -3.624 -15.851 -13.381 1.00 0.00 H new ATOM 0 HA THR B 648 -6.332 -15.386 -14.450 1.00 0.00 H new ATOM 0 HB THR B 648 -6.889 -15.038 -11.919 1.00 0.00 H new ATOM 0 HG1 THR B 648 -4.494 -15.430 -11.453 1.00 0.00 H new ATOM 0 HG21 THR B 648 -7.485 -17.419 -11.674 1.00 0.00 H new ATOM 0 HG22 THR B 648 -7.865 -16.809 -13.302 1.00 0.00 H new ATOM 0 HG23 THR B 648 -6.423 -17.820 -13.045 1.00 0.00 H new ATOM 1907 N GLY B 649 -4.264 -13.304 -14.118 1.00 0.00 N ATOM 1908 CA GLY B 649 -3.890 -11.905 -14.020 1.00 0.00 C ATOM 1909 C GLY B 649 -2.449 -11.718 -13.589 1.00 0.00 C ATOM 1910 O GLY B 649 -1.525 -11.946 -14.371 1.00 0.00 O ATOM 0 H GLY B 649 -3.662 -13.868 -14.718 1.00 0.00 H new ATOM 0 HA2 GLY B 649 -4.042 -11.423 -14.986 1.00 0.00 H new ATOM 0 HA3 GLY B 649 -4.547 -11.406 -13.307 1.00 0.00 H new ATOM 1914 N ILE B 650 -2.256 -11.302 -12.342 1.00 0.00 N ATOM 1915 CA ILE B 650 -0.916 -11.084 -11.809 1.00 0.00 C ATOM 1916 C ILE B 650 -0.256 -12.404 -11.426 1.00 0.00 C ATOM 1917 O ILE B 650 -0.917 -13.327 -10.947 1.00 0.00 O ATOM 1918 CB ILE B 650 -0.944 -10.161 -10.577 1.00 0.00 C ATOM 1919 CG1 ILE B 650 -1.557 -8.807 -10.941 1.00 0.00 C ATOM 1920 CG2 ILE B 650 0.459 -9.980 -10.019 1.00 0.00 C ATOM 1921 CD1 ILE B 650 -1.580 -7.825 -9.791 1.00 0.00 C ATOM 0 H ILE B 650 -3.009 -11.109 -11.682 1.00 0.00 H new ATOM 0 HA ILE B 650 -0.336 -10.606 -12.598 1.00 0.00 H new ATOM 0 HB ILE B 650 -1.563 -10.624 -9.808 1.00 0.00 H new ATOM 0 HG12 ILE B 650 -0.994 -8.373 -11.767 1.00 0.00 H new ATOM 0 HG13 ILE B 650 -2.576 -8.962 -11.296 1.00 0.00 H new ATOM 0 HG21 ILE B 650 0.423 -9.325 -9.148 1.00 0.00 H new ATOM 0 HG22 ILE B 650 0.862 -10.950 -9.727 1.00 0.00 H new ATOM 0 HG23 ILE B 650 1.099 -9.535 -10.781 1.00 0.00 H new ATOM 0 HD11 ILE B 650 -2.028 -6.888 -10.122 1.00 0.00 H new ATOM 0 HD12 ILE B 650 -2.167 -8.238 -8.971 1.00 0.00 H new ATOM 0 HD13 ILE B 650 -0.561 -7.640 -9.450 1.00 0.00 H new ATOM 1932 N THR B 651 1.053 -12.488 -11.637 1.00 0.00 N ATOM 1933 CA THR B 651 1.805 -13.695 -11.314 1.00 0.00 C ATOM 1934 C THR B 651 2.462 -13.582 -9.943 1.00 0.00 C ATOM 1935 O THR B 651 2.468 -12.512 -9.333 1.00 0.00 O ATOM 1936 CB THR B 651 2.890 -13.981 -12.369 1.00 0.00 C ATOM 1937 OG1 THR B 651 2.696 -13.139 -13.512 1.00 0.00 O ATOM 1938 CG2 THR B 651 2.858 -15.440 -12.797 1.00 0.00 C ATOM 0 H THR B 651 1.616 -11.734 -12.031 1.00 0.00 H new ATOM 0 HA THR B 651 1.092 -14.519 -11.306 1.00 0.00 H new ATOM 0 HB THR B 651 3.862 -13.771 -11.924 1.00 0.00 H new ATOM 0 HG1 THR B 651 3.391 -13.326 -14.177 1.00 0.00 H new ATOM 0 HG21 THR B 651 3.633 -15.618 -13.542 1.00 0.00 H new ATOM 0 HG22 THR B 651 3.035 -16.077 -11.931 1.00 0.00 H new ATOM 0 HG23 THR B 651 1.883 -15.672 -13.225 1.00 0.00 H new ATOM 1946 N TYR B 652 3.014 -14.691 -9.465 1.00 0.00 N ATOM 1947 CA TYR B 652 3.674 -14.717 -8.164 1.00 0.00 C ATOM 1948 C TYR B 652 4.854 -13.751 -8.132 1.00 0.00 C ATOM 1949 O TYR B 652 5.061 -13.040 -7.149 1.00 0.00 O ATOM 1950 CB TYR B 652 4.150 -16.134 -7.839 1.00 0.00 C ATOM 1951 CG TYR B 652 5.164 -16.672 -8.822 1.00 0.00 C ATOM 1952 CD1 TYR B 652 4.761 -17.298 -9.996 1.00 0.00 C ATOM 1953 CD2 TYR B 652 6.528 -16.554 -8.579 1.00 0.00 C ATOM 1954 CE1 TYR B 652 5.685 -17.791 -10.896 1.00 0.00 C ATOM 1955 CE2 TYR B 652 7.458 -17.043 -9.474 1.00 0.00 C ATOM 1956 CZ TYR B 652 7.032 -17.662 -10.631 1.00 0.00 C ATOM 1957 OH TYR B 652 7.955 -18.151 -11.526 1.00 0.00 O ATOM 0 H TYR B 652 3.018 -15.584 -9.958 1.00 0.00 H new ATOM 0 HA TYR B 652 2.951 -14.402 -7.411 1.00 0.00 H new ATOM 0 HB2 TYR B 652 4.585 -16.142 -6.840 1.00 0.00 H new ATOM 0 HB3 TYR B 652 3.289 -16.801 -7.816 1.00 0.00 H new ATOM 0 HD1 TYR B 652 3.707 -17.401 -10.208 1.00 0.00 H new ATOM 0 HD2 TYR B 652 6.866 -16.071 -7.674 1.00 0.00 H new ATOM 0 HE1 TYR B 652 5.354 -18.275 -11.803 1.00 0.00 H new ATOM 0 HE2 TYR B 652 8.514 -16.942 -9.270 1.00 0.00 H new ATOM 0 HH TYR B 652 8.859 -17.978 -11.190 1.00 0.00 H new ATOM 1966 N GLN B 653 5.623 -13.732 -9.216 1.00 0.00 N ATOM 1967 CA GLN B 653 6.783 -12.854 -9.312 1.00 0.00 C ATOM 1968 C GLN B 653 6.355 -11.411 -9.558 1.00 0.00 C ATOM 1969 O GLN B 653 6.904 -10.481 -8.969 1.00 0.00 O ATOM 1970 CB GLN B 653 7.712 -13.321 -10.435 1.00 0.00 C ATOM 1971 CG GLN B 653 7.041 -13.368 -11.798 1.00 0.00 C ATOM 1972 CD GLN B 653 7.937 -13.960 -12.869 1.00 0.00 C ATOM 1973 OE1 GLN B 653 8.549 -15.010 -12.671 1.00 0.00 O ATOM 1974 NE2 GLN B 653 8.017 -13.289 -14.012 1.00 0.00 N ATOM 0 H GLN B 653 5.464 -14.314 -10.039 1.00 0.00 H new ATOM 0 HA GLN B 653 7.319 -12.898 -8.364 1.00 0.00 H new ATOM 0 HB2 GLN B 653 8.572 -12.653 -10.485 1.00 0.00 H new ATOM 0 HB3 GLN B 653 8.092 -14.313 -10.192 1.00 0.00 H new ATOM 0 HG2 GLN B 653 6.126 -13.957 -11.728 1.00 0.00 H new ATOM 0 HG3 GLN B 653 6.749 -12.359 -12.090 1.00 0.00 H new ATOM 0 HE21 GLN B 653 7.492 -12.423 -14.133 1.00 0.00 H new ATOM 0 HE22 GLN B 653 8.603 -13.640 -14.769 1.00 0.00 H new ATOM 1981 N ALA B 654 5.371 -11.232 -10.433 1.00 0.00 N ATOM 1982 CA ALA B 654 4.868 -9.904 -10.756 1.00 0.00 C ATOM 1983 C ALA B 654 4.207 -9.257 -9.544 1.00 0.00 C ATOM 1984 O ALA B 654 4.314 -8.048 -9.337 1.00 0.00 O ATOM 1985 CB ALA B 654 3.888 -9.978 -11.918 1.00 0.00 C ATOM 0 H ALA B 654 4.906 -11.991 -10.931 1.00 0.00 H new ATOM 0 HA ALA B 654 5.715 -9.284 -11.049 1.00 0.00 H new ATOM 0 HB1 ALA B 654 3.520 -8.978 -12.148 1.00 0.00 H new ATOM 0 HB2 ALA B 654 4.391 -10.390 -12.793 1.00 0.00 H new ATOM 0 HB3 ALA B 654 3.049 -10.619 -11.646 1.00 0.00 H new ATOM 1991 N TRP B 655 3.523 -10.069 -8.745 1.00 0.00 N ATOM 1992 CA TRP B 655 2.843 -9.575 -7.554 1.00 0.00 C ATOM 1993 C TRP B 655 3.849 -9.164 -6.484 1.00 0.00 C ATOM 1994 O TRP B 655 3.811 -8.041 -5.983 1.00 0.00 O ATOM 1995 CB TRP B 655 1.900 -10.644 -6.999 1.00 0.00 C ATOM 1996 CG TRP B 655 0.910 -10.108 -6.010 1.00 0.00 C ATOM 1997 CD1 TRP B 655 -0.411 -9.839 -6.236 1.00 0.00 C ATOM 1998 CD2 TRP B 655 1.161 -9.774 -4.641 1.00 0.00 C ATOM 1999 NE1 TRP B 655 -0.995 -9.358 -5.089 1.00 0.00 N ATOM 2000 CE2 TRP B 655 -0.052 -9.309 -4.097 1.00 0.00 C ATOM 2001 CE3 TRP B 655 2.292 -9.825 -3.821 1.00 0.00 C ATOM 2002 CZ2 TRP B 655 -0.163 -8.898 -2.771 1.00 0.00 C ATOM 2003 CZ3 TRP B 655 2.181 -9.415 -2.507 1.00 0.00 C ATOM 2004 CH2 TRP B 655 0.961 -8.957 -1.992 1.00 0.00 C ATOM 0 H TRP B 655 3.425 -11.072 -8.901 1.00 0.00 H new ATOM 0 HA TRP B 655 2.261 -8.698 -7.836 1.00 0.00 H new ATOM 0 HB2 TRP B 655 1.362 -11.108 -7.826 1.00 0.00 H new ATOM 0 HB3 TRP B 655 2.490 -11.427 -6.523 1.00 0.00 H new ATOM 0 HD1 TRP B 655 -0.921 -9.983 -7.177 1.00 0.00 H new ATOM 0 HE1 TRP B 655 -1.972 -9.082 -4.992 1.00 0.00 H new ATOM 0 HE3 TRP B 655 3.236 -10.179 -4.208 1.00 0.00 H new ATOM 0 HZ2 TRP B 655 -1.102 -8.545 -2.372 1.00 0.00 H new ATOM 0 HZ3 TRP B 655 3.049 -9.448 -1.865 1.00 0.00 H new ATOM 0 HH2 TRP B 655 0.906 -8.644 -0.960 1.00 0.00 H new ATOM 2014 N GLN B 656 4.748 -10.080 -6.140 1.00 0.00 N ATOM 2015 CA GLN B 656 5.764 -9.812 -5.129 1.00 0.00 C ATOM 2016 C GLN B 656 6.545 -8.546 -5.465 1.00 0.00 C ATOM 2017 O GLN B 656 7.042 -7.857 -4.576 1.00 0.00 O ATOM 2018 CB GLN B 656 6.721 -10.999 -5.009 1.00 0.00 C ATOM 2019 CG GLN B 656 6.146 -12.168 -4.226 1.00 0.00 C ATOM 2020 CD GLN B 656 7.010 -12.561 -3.044 1.00 0.00 C ATOM 2021 OE1 GLN B 656 7.099 -11.834 -2.055 1.00 0.00 O ATOM 2022 NE2 GLN B 656 7.656 -13.718 -3.143 1.00 0.00 N ATOM 0 H GLN B 656 4.794 -11.014 -6.546 1.00 0.00 H new ATOM 0 HA GLN B 656 5.260 -9.664 -4.174 1.00 0.00 H new ATOM 0 HB2 GLN B 656 6.991 -11.340 -6.009 1.00 0.00 H new ATOM 0 HB3 GLN B 656 7.640 -10.667 -4.527 1.00 0.00 H new ATOM 0 HG2 GLN B 656 5.149 -11.907 -3.871 1.00 0.00 H new ATOM 0 HG3 GLN B 656 6.034 -13.025 -4.890 1.00 0.00 H new ATOM 0 HE21 GLN B 656 7.553 -14.289 -3.982 1.00 0.00 H new ATOM 0 HE22 GLN B 656 8.255 -14.035 -2.380 1.00 0.00 H new ATOM 2029 N ALA B 657 6.649 -8.246 -6.757 1.00 0.00 N ATOM 2030 CA ALA B 657 7.369 -7.063 -7.210 1.00 0.00 C ATOM 2031 C ALA B 657 6.426 -5.874 -7.365 1.00 0.00 C ATOM 2032 O ALA B 657 6.853 -4.721 -7.308 1.00 0.00 O ATOM 2033 CB ALA B 657 8.081 -7.349 -8.524 1.00 0.00 C ATOM 0 H ALA B 657 6.244 -8.806 -7.507 1.00 0.00 H new ATOM 0 HA ALA B 657 8.113 -6.809 -6.455 1.00 0.00 H new ATOM 0 HB1 ALA B 657 8.615 -6.456 -8.850 1.00 0.00 H new ATOM 0 HB2 ALA B 657 8.790 -8.165 -8.384 1.00 0.00 H new ATOM 0 HB3 ALA B 657 7.349 -7.631 -9.281 1.00 0.00 H new ATOM 2039 N GLN B 658 5.144 -6.163 -7.563 1.00 0.00 N ATOM 2040 CA GLN B 658 4.143 -5.117 -7.729 1.00 0.00 C ATOM 2041 C GLN B 658 3.794 -4.480 -6.387 1.00 0.00 C ATOM 2042 O GLN B 658 3.825 -3.258 -6.242 1.00 0.00 O ATOM 2043 CB GLN B 658 2.881 -5.686 -8.379 1.00 0.00 C ATOM 2044 CG GLN B 658 2.836 -5.498 -9.887 1.00 0.00 C ATOM 2045 CD GLN B 658 1.501 -5.900 -10.485 1.00 0.00 C ATOM 2046 OE1 GLN B 658 0.496 -5.212 -10.308 1.00 0.00 O ATOM 2047 NE2 GLN B 658 1.487 -7.020 -11.200 1.00 0.00 N ATOM 0 H GLN B 658 4.775 -7.112 -7.612 1.00 0.00 H new ATOM 0 HA GLN B 658 4.562 -4.349 -8.378 1.00 0.00 H new ATOM 0 HB2 GLN B 658 2.813 -6.750 -8.152 1.00 0.00 H new ATOM 0 HB3 GLN B 658 2.007 -5.209 -7.935 1.00 0.00 H new ATOM 0 HG2 GLN B 658 3.037 -4.454 -10.125 1.00 0.00 H new ATOM 0 HG3 GLN B 658 3.629 -6.088 -10.347 1.00 0.00 H new ATOM 0 HE21 GLN B 658 2.345 -7.559 -11.320 1.00 0.00 H new ATOM 0 HE22 GLN B 658 0.619 -7.341 -11.628 1.00 0.00 H new ATOM 2054 N TRP B 659 3.462 -5.316 -5.410 1.00 0.00 N ATOM 2055 CA TRP B 659 3.107 -4.835 -4.079 1.00 0.00 C ATOM 2056 C TRP B 659 4.176 -3.892 -3.538 1.00 0.00 C ATOM 2057 O TRP B 659 3.871 -2.799 -3.064 1.00 0.00 O ATOM 2058 CB TRP B 659 2.915 -6.013 -3.123 1.00 0.00 C ATOM 2059 CG TRP B 659 2.341 -5.613 -1.797 1.00 0.00 C ATOM 2060 CD1 TRP B 659 3.036 -5.254 -0.678 1.00 0.00 C ATOM 2061 CD2 TRP B 659 0.953 -5.536 -1.453 1.00 0.00 C ATOM 2062 NE1 TRP B 659 2.163 -4.957 0.342 1.00 0.00 N ATOM 2063 CE2 TRP B 659 0.881 -5.121 -0.108 1.00 0.00 C ATOM 2064 CE3 TRP B 659 -0.235 -5.773 -2.150 1.00 0.00 C ATOM 2065 CZ2 TRP B 659 -0.334 -4.943 0.550 1.00 0.00 C ATOM 2066 CZ3 TRP B 659 -1.438 -5.596 -1.496 1.00 0.00 C ATOM 2067 CH2 TRP B 659 -1.480 -5.183 -0.156 1.00 0.00 C ATOM 0 H TRP B 659 3.431 -6.330 -5.514 1.00 0.00 H new ATOM 0 HA TRP B 659 2.170 -4.284 -4.157 1.00 0.00 H new ATOM 0 HB2 TRP B 659 2.258 -6.747 -3.589 1.00 0.00 H new ATOM 0 HB3 TRP B 659 3.876 -6.502 -2.963 1.00 0.00 H new ATOM 0 HD1 TRP B 659 4.113 -5.210 -0.605 1.00 0.00 H new ATOM 0 HE1 TRP B 659 2.428 -4.662 1.282 1.00 0.00 H new ATOM 0 HE3 TRP B 659 -0.212 -6.089 -3.182 1.00 0.00 H new ATOM 0 HZ2 TRP B 659 -0.369 -4.626 1.582 1.00 0.00 H new ATOM 0 HZ3 TRP B 659 -2.362 -5.779 -2.025 1.00 0.00 H new ATOM 0 HH2 TRP B 659 -2.437 -5.052 0.328 1.00 0.00 H new ATOM 2077 N ASN B 660 5.431 -4.324 -3.613 1.00 0.00 N ATOM 2078 CA ASN B 660 6.546 -3.517 -3.130 1.00 0.00 C ATOM 2079 C ASN B 660 6.500 -2.112 -3.725 1.00 0.00 C ATOM 2080 O ASN B 660 6.444 -1.122 -2.997 1.00 0.00 O ATOM 2081 CB ASN B 660 7.876 -4.187 -3.479 1.00 0.00 C ATOM 2082 CG ASN B 660 8.884 -4.095 -2.350 1.00 0.00 C ATOM 2083 OD1 ASN B 660 10.017 -3.654 -2.548 1.00 0.00 O ATOM 2084 ND2 ASN B 660 8.477 -4.511 -1.157 1.00 0.00 N ATOM 0 H ASN B 660 5.701 -5.227 -4.003 1.00 0.00 H new ATOM 0 HA ASN B 660 6.460 -3.436 -2.046 1.00 0.00 H new ATOM 0 HB2 ASN B 660 7.699 -5.235 -3.720 1.00 0.00 H new ATOM 0 HB3 ASN B 660 8.291 -3.720 -4.372 1.00 0.00 H new ATOM 0 HD21 ASN B 660 9.112 -4.472 -0.360 1.00 0.00 H new ATOM 0 HD22 ASN B 660 7.529 -4.869 -1.038 1.00 0.00 H new ATOM 2090 N GLN B 661 6.523 -2.037 -5.052 1.00 0.00 N ATOM 2091 CA GLN B 661 6.483 -0.754 -5.743 1.00 0.00 C ATOM 2092 C GLN B 661 5.249 0.046 -5.337 1.00 0.00 C ATOM 2093 O GLN B 661 5.346 1.227 -5.004 1.00 0.00 O ATOM 2094 CB GLN B 661 6.491 -0.967 -7.258 1.00 0.00 C ATOM 2095 CG GLN B 661 7.820 -1.478 -7.793 1.00 0.00 C ATOM 2096 CD GLN B 661 8.802 -0.360 -8.081 1.00 0.00 C ATOM 2097 OE1 GLN B 661 8.424 0.702 -8.577 1.00 0.00 O ATOM 2098 NE2 GLN B 661 10.072 -0.592 -7.770 1.00 0.00 N ATOM 0 H GLN B 661 6.569 -2.848 -5.669 1.00 0.00 H new ATOM 0 HA GLN B 661 7.370 -0.188 -5.457 1.00 0.00 H new ATOM 0 HB2 GLN B 661 5.706 -1.676 -7.521 1.00 0.00 H new ATOM 0 HB3 GLN B 661 6.248 -0.025 -7.750 1.00 0.00 H new ATOM 0 HG2 GLN B 661 8.259 -2.164 -7.069 1.00 0.00 H new ATOM 0 HG3 GLN B 661 7.645 -2.047 -8.706 1.00 0.00 H new ATOM 0 HE21 GLN B 661 10.342 -1.486 -7.361 1.00 0.00 H new ATOM 0 HE22 GLN B 661 10.778 0.124 -7.941 1.00 0.00 H new ATOM 2105 N ALA B 662 4.092 -0.606 -5.368 1.00 0.00 N ATOM 2106 CA ALA B 662 2.839 0.045 -5.002 1.00 0.00 C ATOM 2107 C ALA B 662 2.935 0.681 -3.619 1.00 0.00 C ATOM 2108 O ALA B 662 2.673 1.872 -3.455 1.00 0.00 O ATOM 2109 CB ALA B 662 1.693 -0.954 -5.048 1.00 0.00 C ATOM 0 H ALA B 662 3.995 -1.584 -5.642 1.00 0.00 H new ATOM 0 HA ALA B 662 2.644 0.838 -5.725 1.00 0.00 H new ATOM 0 HB1 ALA B 662 0.764 -0.455 -4.773 1.00 0.00 H new ATOM 0 HB2 ALA B 662 1.603 -1.358 -6.056 1.00 0.00 H new ATOM 0 HB3 ALA B 662 1.890 -1.766 -4.348 1.00 0.00 H new ATOM 2115 N MET B 663 3.310 -0.122 -2.629 1.00 0.00 N ATOM 2116 CA MET B 663 3.440 0.364 -1.260 1.00 0.00 C ATOM 2117 C MET B 663 4.391 1.555 -1.194 1.00 0.00 C ATOM 2118 O MET B 663 4.117 2.541 -0.509 1.00 0.00 O ATOM 2119 CB MET B 663 3.942 -0.755 -0.345 1.00 0.00 C ATOM 2120 CG MET B 663 4.345 -0.273 1.039 1.00 0.00 C ATOM 2121 SD MET B 663 2.992 0.534 1.917 1.00 0.00 S ATOM 2122 CE MET B 663 1.722 -0.725 1.809 1.00 0.00 C ATOM 0 H MET B 663 3.529 -1.111 -2.749 1.00 0.00 H new ATOM 0 HA MET B 663 2.456 0.688 -0.921 1.00 0.00 H new ATOM 0 HB2 MET B 663 3.161 -1.509 -0.245 1.00 0.00 H new ATOM 0 HB3 MET B 663 4.797 -1.241 -0.815 1.00 0.00 H new ATOM 0 HG2 MET B 663 4.699 -1.121 1.626 1.00 0.00 H new ATOM 0 HG3 MET B 663 5.180 0.422 0.948 1.00 0.00 H new ATOM 0 HE1 MET B 663 0.901 -0.473 2.480 1.00 0.00 H new ATOM 0 HE2 MET B 663 1.350 -0.780 0.786 1.00 0.00 H new ATOM 0 HE3 MET B 663 2.141 -1.690 2.095 1.00 0.00 H new ATOM 2130 N GLU B 664 5.507 1.457 -1.909 1.00 0.00 N ATOM 2131 CA GLU B 664 6.498 2.526 -1.930 1.00 0.00 C ATOM 2132 C GLU B 664 5.853 3.857 -2.307 1.00 0.00 C ATOM 2133 O GLU B 664 5.946 4.837 -1.567 1.00 0.00 O ATOM 2134 CB GLU B 664 7.620 2.193 -2.914 1.00 0.00 C ATOM 2135 CG GLU B 664 8.671 3.285 -3.030 1.00 0.00 C ATOM 2136 CD GLU B 664 9.766 2.938 -4.021 1.00 0.00 C ATOM 2137 OE1 GLU B 664 10.564 2.025 -3.725 1.00 0.00 O ATOM 2138 OE2 GLU B 664 9.823 3.579 -5.091 1.00 0.00 O ATOM 0 H GLU B 664 5.748 0.648 -2.482 1.00 0.00 H new ATOM 0 HA GLU B 664 6.919 2.616 -0.929 1.00 0.00 H new ATOM 0 HB2 GLU B 664 8.103 1.267 -2.602 1.00 0.00 H new ATOM 0 HB3 GLU B 664 7.187 2.011 -3.898 1.00 0.00 H new ATOM 0 HG2 GLU B 664 8.191 4.215 -3.335 1.00 0.00 H new ATOM 0 HG3 GLU B 664 9.115 3.462 -2.051 1.00 0.00 H new ATOM 2143 N ASP B 665 5.200 3.884 -3.464 1.00 0.00 N ATOM 2144 CA ASP B 665 4.539 5.093 -3.941 1.00 0.00 C ATOM 2145 C ASP B 665 3.335 5.435 -3.069 1.00 0.00 C ATOM 2146 O ASP B 665 2.958 6.601 -2.942 1.00 0.00 O ATOM 2147 CB ASP B 665 4.099 4.920 -5.395 1.00 0.00 C ATOM 2148 CG ASP B 665 3.378 6.140 -5.932 1.00 0.00 C ATOM 2149 OD1 ASP B 665 2.254 6.418 -5.464 1.00 0.00 O ATOM 2150 OD2 ASP B 665 3.938 6.819 -6.820 1.00 0.00 O ATOM 0 H ASP B 665 5.114 3.082 -4.089 1.00 0.00 H new ATOM 0 HA ASP B 665 5.253 5.915 -3.881 1.00 0.00 H new ATOM 0 HB2 ASP B 665 4.973 4.717 -6.014 1.00 0.00 H new ATOM 0 HB3 ASP B 665 3.445 4.052 -5.472 1.00 0.00 H new ATOM 2154 N LEU B 666 2.735 4.412 -2.471 1.00 0.00 N ATOM 2155 CA LEU B 666 1.572 4.603 -1.611 1.00 0.00 C ATOM 2156 C LEU B 666 1.959 5.327 -0.326 1.00 0.00 C ATOM 2157 O LEU B 666 1.202 6.152 0.185 1.00 0.00 O ATOM 2158 CB LEU B 666 0.933 3.254 -1.278 1.00 0.00 C ATOM 2159 CG LEU B 666 0.455 3.075 0.163 1.00 0.00 C ATOM 2160 CD1 LEU B 666 -0.715 4.002 0.456 1.00 0.00 C ATOM 2161 CD2 LEU B 666 0.068 1.626 0.421 1.00 0.00 C ATOM 0 H LEU B 666 3.034 3.442 -2.566 1.00 0.00 H new ATOM 0 HA LEU B 666 0.849 5.217 -2.148 1.00 0.00 H new ATOM 0 HB2 LEU B 666 0.083 3.103 -1.943 1.00 0.00 H new ATOM 0 HB3 LEU B 666 1.655 2.468 -1.500 1.00 0.00 H new ATOM 0 HG LEU B 666 1.275 3.335 0.833 1.00 0.00 H new ATOM 0 HD11 LEU B 666 -1.042 3.861 1.486 1.00 0.00 H new ATOM 0 HD12 LEU B 666 -0.404 5.037 0.313 1.00 0.00 H new ATOM 0 HD13 LEU B 666 -1.539 3.774 -0.221 1.00 0.00 H new ATOM 0 HD21 LEU B 666 -0.270 1.518 1.452 1.00 0.00 H new ATOM 0 HD22 LEU B 666 -0.736 1.338 -0.256 1.00 0.00 H new ATOM 0 HD23 LEU B 666 0.932 0.983 0.253 1.00 0.00 H new ATOM 2172 N VAL B 667 3.142 5.013 0.192 1.00 0.00 N ATOM 2173 CA VAL B 667 3.632 5.635 1.415 1.00 0.00 C ATOM 2174 C VAL B 667 3.911 7.119 1.204 1.00 0.00 C ATOM 2175 O VAL B 667 3.440 7.965 1.965 1.00 0.00 O ATOM 2176 CB VAL B 667 4.914 4.949 1.921 1.00 0.00 C ATOM 2177 CG1 VAL B 667 5.429 5.637 3.176 1.00 0.00 C ATOM 2178 CG2 VAL B 667 4.661 3.471 2.179 1.00 0.00 C ATOM 0 H VAL B 667 3.779 4.330 -0.218 1.00 0.00 H new ATOM 0 HA VAL B 667 2.848 5.519 2.164 1.00 0.00 H new ATOM 0 HB VAL B 667 5.679 5.034 1.149 1.00 0.00 H new ATOM 0 HG11 VAL B 667 6.335 5.138 3.519 1.00 0.00 H new ATOM 0 HG12 VAL B 667 5.651 6.681 2.954 1.00 0.00 H new ATOM 0 HG13 VAL B 667 4.670 5.586 3.956 1.00 0.00 H new ATOM 0 HG21 VAL B 667 5.578 3.002 2.536 1.00 0.00 H new ATOM 0 HG22 VAL B 667 3.880 3.361 2.932 1.00 0.00 H new ATOM 0 HG23 VAL B 667 4.343 2.989 1.254 1.00 0.00 H new ATOM 2188 N ARG B 668 4.680 7.427 0.164 1.00 0.00 N ATOM 2189 CA ARG B 668 5.023 8.810 -0.147 1.00 0.00 C ATOM 2190 C ARG B 668 3.768 9.640 -0.397 1.00 0.00 C ATOM 2191 O ARG B 668 3.742 10.841 -0.130 1.00 0.00 O ATOM 2192 CB ARG B 668 5.936 8.866 -1.374 1.00 0.00 C ATOM 2193 CG ARG B 668 7.149 7.956 -1.272 1.00 0.00 C ATOM 2194 CD ARG B 668 8.091 8.149 -2.451 1.00 0.00 C ATOM 2195 NE ARG B 668 7.615 7.462 -3.649 1.00 0.00 N ATOM 2196 CZ ARG B 668 6.819 8.023 -4.551 1.00 0.00 C ATOM 2197 NH1 ARG B 668 6.411 9.275 -4.393 1.00 0.00 N ATOM 2198 NH2 ARG B 668 6.430 7.333 -5.616 1.00 0.00 N ATOM 0 H ARG B 668 5.077 6.739 -0.476 1.00 0.00 H new ATOM 0 HA ARG B 668 5.549 9.229 0.711 1.00 0.00 H new ATOM 0 HB2 ARG B 668 5.360 8.592 -2.258 1.00 0.00 H new ATOM 0 HB3 ARG B 668 6.273 9.892 -1.519 1.00 0.00 H new ATOM 0 HG2 ARG B 668 7.681 8.160 -0.343 1.00 0.00 H new ATOM 0 HG3 ARG B 668 6.823 6.917 -1.232 1.00 0.00 H new ATOM 0 HD2 ARG B 668 8.196 9.213 -2.661 1.00 0.00 H new ATOM 0 HD3 ARG B 668 9.081 7.777 -2.189 1.00 0.00 H new ATOM 0 HE ARG B 668 7.911 6.498 -3.801 1.00 0.00 H new ATOM 0 HH11 ARG B 668 6.709 9.809 -3.577 1.00 0.00 H new ATOM 0 HH12 ARG B 668 5.799 9.704 -5.088 1.00 0.00 H new ATOM 0 HH21 ARG B 668 6.743 6.370 -5.742 1.00 0.00 H new ATOM 0 HH22 ARG B 668 5.818 7.765 -6.308 1.00 0.00 H new ATOM 2209 N ALA B 669 2.728 8.990 -0.910 1.00 0.00 N ATOM 2210 CA ALA B 669 1.468 9.667 -1.193 1.00 0.00 C ATOM 2211 C ALA B 669 0.922 10.355 0.052 1.00 0.00 C ATOM 2212 O ALA B 669 0.194 11.343 -0.041 1.00 0.00 O ATOM 2213 CB ALA B 669 0.450 8.679 -1.742 1.00 0.00 C ATOM 0 H ALA B 669 2.733 7.996 -1.138 1.00 0.00 H new ATOM 0 HA ALA B 669 1.657 10.433 -1.945 1.00 0.00 H new ATOM 0 HB1 ALA B 669 -0.486 9.198 -1.949 1.00 0.00 H new ATOM 0 HB2 ALA B 669 0.831 8.238 -2.663 1.00 0.00 H new ATOM 0 HB3 ALA B 669 0.274 7.892 -1.008 1.00 0.00 H new ATOM 2219 N TYR B 670 1.278 9.827 1.218 1.00 0.00 N ATOM 2220 CA TYR B 670 0.820 10.390 2.483 1.00 0.00 C ATOM 2221 C TYR B 670 1.736 11.522 2.939 1.00 0.00 C ATOM 2222 O TYR B 670 1.277 12.625 3.238 1.00 0.00 O ATOM 2223 CB TYR B 670 0.763 9.302 3.557 1.00 0.00 C ATOM 2224 CG TYR B 670 0.279 9.802 4.900 1.00 0.00 C ATOM 2225 CD1 TYR B 670 1.163 10.360 5.815 1.00 0.00 C ATOM 2226 CD2 TYR B 670 -1.062 9.716 5.254 1.00 0.00 C ATOM 2227 CE1 TYR B 670 0.726 10.818 7.042 1.00 0.00 C ATOM 2228 CE2 TYR B 670 -1.508 10.172 6.480 1.00 0.00 C ATOM 2229 CZ TYR B 670 -0.610 10.722 7.371 1.00 0.00 C ATOM 2230 OH TYR B 670 -1.050 11.176 8.593 1.00 0.00 O ATOM 0 H TYR B 670 1.882 9.011 1.313 1.00 0.00 H new ATOM 0 HA TYR B 670 -0.180 10.795 2.331 1.00 0.00 H new ATOM 0 HB2 TYR B 670 0.105 8.502 3.218 1.00 0.00 H new ATOM 0 HB3 TYR B 670 1.756 8.869 3.676 1.00 0.00 H new ATOM 0 HD1 TYR B 670 2.210 10.437 5.562 1.00 0.00 H new ATOM 0 HD2 TYR B 670 -1.768 9.285 4.559 1.00 0.00 H new ATOM 0 HE1 TYR B 670 1.427 11.249 7.741 1.00 0.00 H new ATOM 0 HE2 TYR B 670 -2.554 10.098 6.739 1.00 0.00 H new ATOM 0 HH TYR B 670 -2.017 11.035 8.665 1.00 0.00 H new ATOM 2239 N HIS B 671 3.034 11.241 2.988 1.00 0.00 N ATOM 2240 CA HIS B 671 4.016 12.235 3.406 1.00 0.00 C ATOM 2241 C HIS B 671 3.919 13.490 2.544 1.00 0.00 C ATOM 2242 O HIS B 671 4.292 14.581 2.974 1.00 0.00 O ATOM 2243 CB HIS B 671 5.428 11.654 3.323 1.00 0.00 C ATOM 2244 CG HIS B 671 6.432 12.398 4.150 1.00 0.00 C ATOM 2245 ND1 HIS B 671 7.047 11.855 5.257 1.00 0.00 N ATOM 2246 CD2 HIS B 671 6.927 13.651 4.023 1.00 0.00 C ATOM 2247 CE1 HIS B 671 7.877 12.741 5.777 1.00 0.00 C ATOM 2248 NE2 HIS B 671 7.822 13.840 5.047 1.00 0.00 N ATOM 0 H HIS B 671 3.430 10.333 2.744 1.00 0.00 H new ATOM 0 HA HIS B 671 3.803 12.508 4.440 1.00 0.00 H new ATOM 0 HB2 HIS B 671 5.403 10.613 3.646 1.00 0.00 H new ATOM 0 HB3 HIS B 671 5.753 11.657 2.282 1.00 0.00 H new ATOM 0 HD2 HIS B 671 6.667 14.368 3.259 1.00 0.00 H new ATOM 0 HE1 HIS B 671 8.495 12.592 6.650 1.00 0.00 H new ATOM 0 HE2 HIS B 671 8.358 14.691 5.216 1.00 0.00 H new ATOM 2255 N ALA B 672 3.417 13.327 1.324 1.00 0.00 N ATOM 2256 CA ALA B 672 3.270 14.446 0.402 1.00 0.00 C ATOM 2257 C ALA B 672 2.500 15.593 1.049 1.00 0.00 C ATOM 2258 O ALA B 672 2.902 16.752 0.959 1.00 0.00 O ATOM 2259 CB ALA B 672 2.573 13.993 -0.872 1.00 0.00 C ATOM 0 H ALA B 672 3.105 12.430 0.951 1.00 0.00 H new ATOM 0 HA ALA B 672 4.266 14.809 0.149 1.00 0.00 H new ATOM 0 HB1 ALA B 672 2.470 14.839 -1.551 1.00 0.00 H new ATOM 0 HB2 ALA B 672 3.163 13.212 -1.352 1.00 0.00 H new ATOM 0 HB3 ALA B 672 1.585 13.602 -0.627 1.00 0.00 H new ATOM 2265 N MET B 673 1.391 15.261 1.703 1.00 0.00 N ATOM 2266 CA MET B 673 0.566 16.264 2.366 1.00 0.00 C ATOM 2267 C MET B 673 1.294 16.860 3.566 1.00 0.00 C ATOM 2268 O MET B 673 1.331 18.079 3.739 1.00 0.00 O ATOM 2269 CB MET B 673 -0.761 15.648 2.815 1.00 0.00 C ATOM 2270 CG MET B 673 -1.726 16.656 3.415 1.00 0.00 C ATOM 2271 SD MET B 673 -2.255 16.205 5.080 1.00 0.00 S ATOM 2272 CE MET B 673 -2.842 14.535 4.808 1.00 0.00 C ATOM 0 H MET B 673 1.044 14.306 1.788 1.00 0.00 H new ATOM 0 HA MET B 673 0.365 17.063 1.652 1.00 0.00 H new ATOM 0 HB2 MET B 673 -1.236 15.166 1.960 1.00 0.00 H new ATOM 0 HB3 MET B 673 -0.560 14.868 3.549 1.00 0.00 H new ATOM 0 HG2 MET B 673 -1.251 17.637 3.442 1.00 0.00 H new ATOM 0 HG3 MET B 673 -2.601 16.743 2.771 1.00 0.00 H new ATOM 0 HE1 MET B 673 -3.653 14.317 5.503 1.00 0.00 H new ATOM 0 HE2 MET B 673 -3.205 14.439 3.785 1.00 0.00 H new ATOM 0 HE3 MET B 673 -2.026 13.831 4.971 1.00 0.00 H new