USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=17 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 651 THR OG1 : rot 180:sc= 0.00422 USER MOD Set 1.2: B 653 GLN : amide:sc= -1.28 K(o=-1.3,f=-2.3!) USER MOD Set 2.1: A 75 ASN :FLIP amide:sc= 1.15 F(o=-3.1,f=1.5) USER MOD Set 2.2: B 648 THR OG1 : rot 122:sc= 0.335 USER MOD Set 3.1: A 66 ASN : amide:sc= -0.192 K(o=0.32,f=-3.6!) USER MOD Set 3.2: A 67 THR OG1 : rot 79:sc= 0.512 USER MOD Set 4.1: A 25 MET CE :methyl 180:sc= -3.19 (180deg=-3.19) USER MOD Set 4.2: B 663 MET CE :methyl -169:sc= -0.531 (180deg=-1.18) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -0.159 K(o=-0.16,f=-0.86) USER MOD Single : A 28 THR OG1 : rot 73:sc= 1.14 USER MOD Single : A 31 GLN : amide:sc= -0.056 K(o=-0.056,f=-2) USER MOD Single : A 52 GLN : amide:sc= -0.218 K(o=-0.22,f=-1.5!) USER MOD Single : A 55 HIS :FLIP no HD1:sc= -0.122 F(o=-0.91,f=-0.12) USER MOD Single : A 64 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.144) USER MOD Single : A 73 GLN : amide:sc= -1.68 K(o=-1.7,f=-2.5!) USER MOD Single : B 622 TYR OH : rot 180:sc= 0 USER MOD Single : B 625 THR OG1 : rot 88:sc= 0.00629 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 637 GLN :FLIP amide:sc= -3.46! C(o=-4.1!,f=-3.5!) USER MOD Single : B 641 GLN :FLIP amide:sc= -0.0162 F(o=-0.58,f=-0.016) USER MOD Single : B 642 SER OG : rot 180:sc= 0 USER MOD Single : B 645 GLN : amide:sc= 0.0589 X(o=0.059,f=0) USER MOD Single : B 652 TYR OH : 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= -1.61 K(o=-1.6,f=-4.2!) USER MOD Single : B 660 ASN : amide:sc=-0.00672 X(o=-0.0067,f=-0.46) USER MOD Single : B 661 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 670 TYR OH : rot -14:sc= -0.0127 USER MOD Single : B 671 HIS : no HD1:sc= -0.31 X(o=-0.31,f=-0.21) USER MOD Single : B 673 MET CE :methyl -153:sc= -0.133 (180deg=-0.649) USER MOD ----------------------------------------------------------------- ATOM 222 N ALA A 17 -7.180 -15.642 6.964 1.00 0.00 N ATOM 223 CA ALA A 17 -6.797 -14.314 7.429 1.00 0.00 C ATOM 224 C ALA A 17 -6.518 -13.380 6.256 1.00 0.00 C ATOM 225 O ALA A 17 -6.649 -12.162 6.374 1.00 0.00 O ATOM 226 CB ALA A 17 -5.578 -14.403 8.335 1.00 0.00 C ATOM 0 HA ALA A 17 -7.630 -13.902 7.998 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.303 -13.404 8.675 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -5.810 -15.028 9.197 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.746 -14.840 7.783 1.00 0.00 H new ATOM 232 N PHE A 18 -6.134 -13.960 5.123 1.00 0.00 N ATOM 233 CA PHE A 18 -5.836 -13.179 3.928 1.00 0.00 C ATOM 234 C PHE A 18 -7.020 -12.297 3.546 1.00 0.00 C ATOM 235 O PHE A 18 -6.863 -11.102 3.297 1.00 0.00 O ATOM 236 CB PHE A 18 -5.478 -14.106 2.764 1.00 0.00 C ATOM 237 CG PHE A 18 -4.639 -13.444 1.709 1.00 0.00 C ATOM 238 CD1 PHE A 18 -5.213 -12.586 0.786 1.00 0.00 C ATOM 239 CD2 PHE A 18 -3.275 -13.682 1.639 1.00 0.00 C ATOM 240 CE1 PHE A 18 -4.445 -11.975 -0.187 1.00 0.00 C ATOM 241 CE2 PHE A 18 -2.501 -13.074 0.668 1.00 0.00 C ATOM 242 CZ PHE A 18 -3.087 -12.221 -0.246 1.00 0.00 C ATOM 0 H PHE A 18 -6.022 -14.967 5.008 1.00 0.00 H new ATOM 0 HA PHE A 18 -4.983 -12.536 4.147 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.943 -14.973 3.151 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -6.397 -14.475 2.308 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -6.275 -12.392 0.827 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.812 -14.350 2.351 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -4.905 -11.307 -0.900 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.439 -13.266 0.624 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.484 -11.747 -1.006 1.00 0.00 H new ATOM 251 N ALA A 19 -8.206 -12.896 3.500 1.00 0.00 N ATOM 252 CA ALA A 19 -9.417 -12.165 3.148 1.00 0.00 C ATOM 253 C ALA A 19 -9.672 -11.022 4.124 1.00 0.00 C ATOM 254 O ALA A 19 -9.954 -9.896 3.716 1.00 0.00 O ATOM 255 CB ALA A 19 -10.611 -13.108 3.115 1.00 0.00 C ATOM 0 H ALA A 19 -8.354 -13.885 3.702 1.00 0.00 H new ATOM 0 HA ALA A 19 -9.277 -11.736 2.156 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -11.509 -12.549 2.851 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -10.438 -13.888 2.374 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -10.743 -13.563 4.097 1.00 0.00 H new ATOM 261 N ALA A 20 -9.569 -11.318 5.416 1.00 0.00 N ATOM 262 CA ALA A 20 -9.787 -10.314 6.449 1.00 0.00 C ATOM 263 C ALA A 20 -8.889 -9.101 6.234 1.00 0.00 C ATOM 264 O ALA A 20 -9.355 -7.961 6.229 1.00 0.00 O ATOM 265 CB ALA A 20 -9.546 -10.914 7.827 1.00 0.00 C ATOM 0 H ALA A 20 -9.336 -12.245 5.771 1.00 0.00 H new ATOM 0 HA ALA A 20 -10.823 -9.982 6.385 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.712 -10.153 8.589 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -10.233 -11.745 7.987 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.519 -11.275 7.892 1.00 0.00 H new ATOM 271 N LYS A 21 -7.596 -9.352 6.057 1.00 0.00 N ATOM 272 CA LYS A 21 -6.630 -8.281 5.841 1.00 0.00 C ATOM 273 C LYS A 21 -7.037 -7.413 4.654 1.00 0.00 C ATOM 274 O LYS A 21 -6.905 -6.191 4.694 1.00 0.00 O ATOM 275 CB LYS A 21 -5.235 -8.864 5.605 1.00 0.00 C ATOM 276 CG LYS A 21 -4.802 -9.856 6.670 1.00 0.00 C ATOM 277 CD LYS A 21 -3.474 -9.461 7.294 1.00 0.00 C ATOM 278 CE LYS A 21 -3.635 -8.298 8.260 1.00 0.00 C ATOM 279 NZ LYS A 21 -3.320 -8.693 9.661 1.00 0.00 N ATOM 0 H LYS A 21 -7.193 -10.289 6.059 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.610 -7.658 6.735 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.216 -9.356 4.633 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.512 -8.049 5.564 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.566 -9.915 7.445 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.717 -10.850 6.230 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.050 -10.316 7.820 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.769 -9.188 6.509 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.980 -7.481 7.957 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.657 -7.923 8.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.442 -7.873 10.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.961 -9.455 9.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.337 -9.027 9.715 1.00 0.00 H new ATOM 289 N ALA A 22 -7.532 -8.054 3.601 1.00 0.00 N ATOM 290 CA ALA A 22 -7.963 -7.340 2.405 1.00 0.00 C ATOM 291 C ALA A 22 -9.065 -6.338 2.730 1.00 0.00 C ATOM 292 O ALA A 22 -8.984 -5.168 2.359 1.00 0.00 O ATOM 293 CB ALA A 22 -8.436 -8.323 1.345 1.00 0.00 C ATOM 0 H ALA A 22 -7.645 -9.067 3.551 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.109 -6.786 2.016 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -8.755 -7.776 0.458 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.620 -8.996 1.083 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.273 -8.903 1.734 1.00 0.00 H new ATOM 299 N GLY A 23 -10.097 -6.805 3.428 1.00 0.00 N ATOM 300 CA GLY A 23 -11.201 -5.937 3.790 1.00 0.00 C ATOM 301 C GLY A 23 -10.819 -4.924 4.850 1.00 0.00 C ATOM 302 O GLY A 23 -11.422 -3.854 4.945 1.00 0.00 O ATOM 0 H GLY A 23 -10.187 -7.769 3.749 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.553 -5.413 2.902 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -12.031 -6.543 4.153 1.00 0.00 H new ATOM 306 N LEU A 24 -9.815 -5.261 5.653 1.00 0.00 N ATOM 307 CA LEU A 24 -9.353 -4.373 6.715 1.00 0.00 C ATOM 308 C LEU A 24 -8.489 -3.250 6.148 1.00 0.00 C ATOM 309 O LEU A 24 -8.493 -2.132 6.661 1.00 0.00 O ATOM 310 CB LEU A 24 -8.563 -5.164 7.759 1.00 0.00 C ATOM 311 CG LEU A 24 -8.880 -4.847 9.221 1.00 0.00 C ATOM 312 CD1 LEU A 24 -8.914 -6.122 10.048 1.00 0.00 C ATOM 313 CD2 LEU A 24 -7.862 -3.868 9.788 1.00 0.00 C ATOM 0 H LEU A 24 -9.305 -6.142 5.589 1.00 0.00 H new ATOM 0 HA LEU A 24 -10.227 -3.928 7.191 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.740 -6.226 7.592 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.500 -4.988 7.592 1.00 0.00 H new ATOM 0 HG LEU A 24 -9.865 -4.382 9.267 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -9.141 -5.877 11.086 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -9.682 -6.789 9.657 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.944 -6.616 9.996 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.104 -3.654 10.829 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.865 -4.305 9.729 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.887 -2.943 9.212 1.00 0.00 H new ATOM 324 N MET A 25 -7.751 -3.558 5.086 1.00 0.00 N ATOM 325 CA MET A 25 -6.884 -2.574 4.449 1.00 0.00 C ATOM 326 C MET A 25 -7.675 -1.334 4.044 1.00 0.00 C ATOM 327 O MET A 25 -7.373 -0.223 4.482 1.00 0.00 O ATOM 328 CB MET A 25 -6.203 -3.181 3.221 1.00 0.00 C ATOM 329 CG MET A 25 -5.462 -2.162 2.370 1.00 0.00 C ATOM 330 SD MET A 25 -4.202 -1.267 3.298 1.00 0.00 S ATOM 331 CE MET A 25 -2.949 -2.535 3.474 1.00 0.00 C ATOM 0 H MET A 25 -7.736 -4.480 4.649 1.00 0.00 H new ATOM 0 HA MET A 25 -6.121 -2.278 5.170 1.00 0.00 H new ATOM 0 HB2 MET A 25 -5.501 -3.948 3.547 1.00 0.00 H new ATOM 0 HB3 MET A 25 -6.955 -3.677 2.607 1.00 0.00 H new ATOM 0 HG2 MET A 25 -4.994 -2.670 1.527 1.00 0.00 H new ATOM 0 HG3 MET A 25 -6.177 -1.451 1.957 1.00 0.00 H new ATOM 0 HE1 MET A 25 -2.101 -2.134 4.029 1.00 0.00 H new ATOM 0 HE2 MET A 25 -3.366 -3.386 4.013 1.00 0.00 H new ATOM 0 HE3 MET A 25 -2.617 -2.858 2.487 1.00 0.00 H new ATOM 339 N ARG A 26 -8.688 -1.530 3.207 1.00 0.00 N ATOM 340 CA ARG A 26 -9.521 -0.428 2.743 1.00 0.00 C ATOM 341 C ARG A 26 -10.111 0.341 3.921 1.00 0.00 C ATOM 342 O ARG A 26 -10.355 1.545 3.832 1.00 0.00 O ATOM 343 CB ARG A 26 -10.646 -0.952 1.847 1.00 0.00 C ATOM 344 CG ARG A 26 -10.155 -1.805 0.690 1.00 0.00 C ATOM 345 CD ARG A 26 -10.786 -1.375 -0.626 1.00 0.00 C ATOM 346 NE ARG A 26 -11.224 -2.519 -1.422 1.00 0.00 N ATOM 347 CZ ARG A 26 -12.289 -3.255 -1.126 1.00 0.00 C ATOM 348 NH1 ARG A 26 -13.023 -2.969 -0.059 1.00 0.00 N ATOM 349 NH2 ARG A 26 -12.624 -4.280 -1.899 1.00 0.00 N ATOM 0 H ARG A 26 -8.952 -2.443 2.836 1.00 0.00 H new ATOM 0 HA ARG A 26 -8.893 0.251 2.166 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -11.338 -1.538 2.452 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -11.208 -0.106 1.451 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -9.070 -1.730 0.616 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -10.390 -2.852 0.883 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -11.638 -0.726 -0.425 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -10.067 -0.789 -1.198 1.00 0.00 H new ATOM 0 HE ARG A 26 -10.682 -2.766 -2.250 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -12.770 -2.181 0.538 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -13.840 -3.537 0.165 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -12.063 -4.503 -2.721 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -13.442 -4.845 -1.671 1.00 0.00 H new ATOM 360 N HIS A 27 -10.339 -0.363 5.026 1.00 0.00 N ATOM 361 CA HIS A 27 -10.901 0.254 6.223 1.00 0.00 C ATOM 362 C HIS A 27 -9.849 1.086 6.950 1.00 0.00 C ATOM 363 O HIS A 27 -10.172 2.069 7.620 1.00 0.00 O ATOM 364 CB HIS A 27 -11.459 -0.817 7.160 1.00 0.00 C ATOM 365 CG HIS A 27 -11.887 -0.284 8.492 1.00 0.00 C ATOM 366 ND1 HIS A 27 -12.546 0.919 8.644 1.00 0.00 N ATOM 367 CD2 HIS A 27 -11.750 -0.796 9.738 1.00 0.00 C ATOM 368 CE1 HIS A 27 -12.794 1.123 9.926 1.00 0.00 C ATOM 369 NE2 HIS A 27 -12.321 0.097 10.611 1.00 0.00 N ATOM 0 H HIS A 27 -10.143 -1.360 5.117 1.00 0.00 H new ATOM 0 HA HIS A 27 -11.712 0.914 5.915 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -12.311 -1.300 6.680 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -10.701 -1.586 7.312 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -11.279 -1.733 9.997 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -13.298 1.983 10.343 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -12.372 -0.014 11.624 1.00 0.00 H new ATOM 376 N THR A 28 -8.588 0.686 6.816 1.00 0.00 N ATOM 377 CA THR A 28 -7.489 1.393 7.462 1.00 0.00 C ATOM 378 C THR A 28 -7.192 2.711 6.755 1.00 0.00 C ATOM 379 O THR A 28 -6.796 3.690 7.387 1.00 0.00 O ATOM 380 CB THR A 28 -6.208 0.537 7.487 1.00 0.00 C ATOM 381 OG1 THR A 28 -6.523 -0.804 7.879 1.00 0.00 O ATOM 382 CG2 THR A 28 -5.184 1.125 8.445 1.00 0.00 C ATOM 0 H THR A 28 -8.303 -0.124 6.266 1.00 0.00 H new ATOM 0 HA THR A 28 -7.802 1.596 8.486 1.00 0.00 H new ATOM 0 HB THR A 28 -5.781 0.530 6.484 1.00 0.00 H new ATOM 0 HG1 THR A 28 -6.993 -1.257 7.148 1.00 0.00 H new ATOM 0 HG21 THR A 28 -4.288 0.504 8.446 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.925 2.135 8.126 1.00 0.00 H new ATOM 0 HG23 THR A 28 -5.604 1.158 9.450 1.00 0.00 H new ATOM 390 N ILE A 29 -7.387 2.728 5.441 1.00 0.00 N ATOM 391 CA ILE A 29 -7.141 3.928 4.648 1.00 0.00 C ATOM 392 C ILE A 29 -8.036 5.077 5.100 1.00 0.00 C ATOM 393 O ILE A 29 -7.553 6.154 5.448 1.00 0.00 O ATOM 394 CB ILE A 29 -7.376 3.670 3.149 1.00 0.00 C ATOM 395 CG1 ILE A 29 -6.519 2.494 2.671 1.00 0.00 C ATOM 396 CG2 ILE A 29 -7.065 4.921 2.341 1.00 0.00 C ATOM 397 CD1 ILE A 29 -5.032 2.759 2.754 1.00 0.00 C ATOM 0 H ILE A 29 -7.714 1.926 4.903 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.097 4.200 4.802 1.00 0.00 H new ATOM 0 HB ILE A 29 -8.425 3.416 2.999 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.757 1.614 3.269 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.781 2.259 1.639 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -7.236 4.723 1.283 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -7.713 5.735 2.667 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.023 5.203 2.494 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.486 1.884 2.400 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.781 3.619 2.134 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.756 2.964 3.788 1.00 0.00 H new ATOM 408 N GLY A 30 -9.344 4.840 5.095 1.00 0.00 N ATOM 409 CA GLY A 30 -10.286 5.864 5.509 1.00 0.00 C ATOM 410 C GLY A 30 -10.076 6.298 6.946 1.00 0.00 C ATOM 411 O GLY A 30 -10.192 7.481 7.265 1.00 0.00 O ATOM 0 H GLY A 30 -9.769 3.957 4.812 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.189 6.729 4.853 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.302 5.488 5.391 1.00 0.00 H new ATOM 415 N GLN A 31 -9.769 5.340 7.813 1.00 0.00 N ATOM 416 CA GLN A 31 -9.546 5.630 9.224 1.00 0.00 C ATOM 417 C GLN A 31 -8.413 6.636 9.401 1.00 0.00 C ATOM 418 O GLN A 31 -8.463 7.492 10.282 1.00 0.00 O ATOM 419 CB GLN A 31 -9.226 4.343 9.987 1.00 0.00 C ATOM 420 CG GLN A 31 -10.347 3.886 10.906 1.00 0.00 C ATOM 421 CD GLN A 31 -10.541 4.809 12.094 1.00 0.00 C ATOM 422 OE1 GLN A 31 -9.805 5.781 12.265 1.00 0.00 O ATOM 423 NE2 GLN A 31 -11.536 4.510 12.920 1.00 0.00 N ATOM 0 H GLN A 31 -9.669 4.356 7.564 1.00 0.00 H new ATOM 0 HA GLN A 31 -10.460 6.065 9.628 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -9.009 3.550 9.271 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.323 4.496 10.578 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -11.276 3.830 10.339 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.131 2.880 11.264 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -12.121 3.694 12.739 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -11.715 5.096 13.735 1.00 0.00 H new ATOM 430 N ALA A 32 -7.392 6.523 8.558 1.00 0.00 N ATOM 431 CA ALA A 32 -6.248 7.422 8.619 1.00 0.00 C ATOM 432 C ALA A 32 -6.615 8.814 8.116 1.00 0.00 C ATOM 433 O ALA A 32 -6.274 9.819 8.739 1.00 0.00 O ATOM 434 CB ALA A 32 -5.087 6.857 7.814 1.00 0.00 C ATOM 0 H ALA A 32 -7.335 5.817 7.824 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.943 7.510 9.662 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.239 7.540 7.869 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.799 5.888 8.222 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.390 6.738 6.774 1.00 0.00 H new ATOM 440 N GLU A 33 -7.312 8.864 6.984 1.00 0.00 N ATOM 441 CA GLU A 33 -7.723 10.134 6.398 1.00 0.00 C ATOM 442 C GLU A 33 -8.491 10.978 7.411 1.00 0.00 C ATOM 443 O GLU A 33 -8.312 12.194 7.483 1.00 0.00 O ATOM 444 CB GLU A 33 -8.589 9.892 5.160 1.00 0.00 C ATOM 445 CG GLU A 33 -8.487 10.996 4.120 1.00 0.00 C ATOM 446 CD GLU A 33 -7.301 10.817 3.193 1.00 0.00 C ATOM 447 OE1 GLU A 33 -7.415 10.033 2.228 1.00 0.00 O ATOM 448 OE2 GLU A 33 -6.259 11.463 3.432 1.00 0.00 O ATOM 0 H GLU A 33 -7.603 8.041 6.456 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.825 10.677 6.105 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -8.298 8.946 4.703 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.629 9.790 5.469 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.404 11.020 3.531 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.407 11.959 4.625 1.00 0.00 H new ATOM 658 N PHE A 51 -3.782 20.158 -1.080 1.00 0.00 N ATOM 659 CA PHE A 51 -4.297 18.999 -0.362 1.00 0.00 C ATOM 660 C PHE A 51 -5.021 18.048 -1.312 1.00 0.00 C ATOM 661 O PHE A 51 -4.978 16.831 -1.139 1.00 0.00 O ATOM 662 CB PHE A 51 -5.244 19.443 0.753 1.00 0.00 C ATOM 663 CG PHE A 51 -5.963 18.304 1.418 1.00 0.00 C ATOM 664 CD1 PHE A 51 -5.331 17.540 2.387 1.00 0.00 C ATOM 665 CD2 PHE A 51 -7.270 17.997 1.076 1.00 0.00 C ATOM 666 CE1 PHE A 51 -5.990 16.491 3.001 1.00 0.00 C ATOM 667 CE2 PHE A 51 -7.934 16.951 1.687 1.00 0.00 C ATOM 668 CZ PHE A 51 -7.293 16.196 2.649 1.00 0.00 C ATOM 0 HA PHE A 51 -3.452 18.470 0.078 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.676 19.992 1.504 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.979 20.135 0.341 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -4.312 17.767 2.665 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -7.776 18.583 0.323 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -5.487 15.903 3.755 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -8.954 16.724 1.412 1.00 0.00 H new ATOM 0 HZ PHE A 51 -7.809 15.376 3.126 1.00 0.00 H new ATOM 677 N GLN A 52 -5.684 18.615 -2.314 1.00 0.00 N ATOM 678 CA GLN A 52 -6.419 17.819 -3.291 1.00 0.00 C ATOM 679 C GLN A 52 -5.468 16.971 -4.127 1.00 0.00 C ATOM 680 O GLN A 52 -5.623 15.754 -4.220 1.00 0.00 O ATOM 681 CB GLN A 52 -7.248 18.726 -4.201 1.00 0.00 C ATOM 682 CG GLN A 52 -7.837 18.009 -5.403 1.00 0.00 C ATOM 683 CD GLN A 52 -9.322 18.267 -5.568 1.00 0.00 C ATOM 684 OE1 GLN A 52 -9.851 19.257 -5.061 1.00 0.00 O ATOM 685 NE2 GLN A 52 -10.003 17.376 -6.279 1.00 0.00 N ATOM 0 H GLN A 52 -5.728 19.622 -2.471 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.089 17.152 -2.748 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -8.057 19.167 -3.620 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -6.621 19.547 -4.550 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -7.314 18.330 -6.304 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -7.668 16.937 -5.300 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -9.524 16.570 -6.681 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -11.005 17.497 -6.423 1.00 0.00 H new ATOM 692 N ALA A 53 -4.482 17.623 -4.735 1.00 0.00 N ATOM 693 CA ALA A 53 -3.504 16.929 -5.564 1.00 0.00 C ATOM 694 C ALA A 53 -2.893 15.747 -4.818 1.00 0.00 C ATOM 695 O ALA A 53 -2.768 14.652 -5.365 1.00 0.00 O ATOM 696 CB ALA A 53 -2.415 17.891 -6.015 1.00 0.00 C ATOM 0 H ALA A 53 -4.339 18.631 -4.669 1.00 0.00 H new ATOM 0 HA ALA A 53 -4.019 16.544 -6.444 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -1.692 17.358 -6.633 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -2.861 18.700 -6.594 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.911 18.305 -5.142 1.00 0.00 H new ATOM 702 N ALA A 54 -2.512 15.977 -3.566 1.00 0.00 N ATOM 703 CA ALA A 54 -1.914 14.931 -2.745 1.00 0.00 C ATOM 704 C ALA A 54 -2.953 13.893 -2.336 1.00 0.00 C ATOM 705 O ALA A 54 -2.668 12.696 -2.298 1.00 0.00 O ATOM 706 CB ALA A 54 -1.259 15.538 -1.513 1.00 0.00 C ATOM 0 H ALA A 54 -2.607 16.878 -3.098 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.151 14.428 -3.339 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.816 14.746 -0.909 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.481 16.237 -1.821 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.009 16.067 -0.925 1.00 0.00 H new ATOM 712 N HIS A 55 -4.160 14.359 -2.031 1.00 0.00 N ATOM 713 CA HIS A 55 -5.243 13.469 -1.626 1.00 0.00 C ATOM 714 C HIS A 55 -5.617 12.518 -2.758 1.00 0.00 C ATOM 715 O HIS A 55 -5.981 11.367 -2.519 1.00 0.00 O ATOM 716 CB HIS A 55 -6.467 14.282 -1.200 1.00 0.00 C ATOM 717 CG HIS A 55 -7.650 13.437 -0.840 1.00 0.00 C ATOM 718 ND1 HIS A 55 -8.488 12.710 -1.615 1.00 0.00 N flip ATOM 719 CD2 HIS A 55 -8.090 13.273 0.456 1.00 0.00 C flip ATOM 720 CE1 HIS A 55 -9.408 12.124 -0.781 1.00 0.00 C flip ATOM 721 NE2 HIS A 55 -9.146 12.480 0.464 1.00 0.00 N flip ATOM 0 H HIS A 55 -4.413 15.347 -2.056 1.00 0.00 H new ATOM 0 HA HIS A 55 -4.897 12.877 -0.779 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -6.201 14.903 -0.345 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -6.745 14.956 -2.010 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -7.641 13.723 1.329 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -10.215 11.477 -1.092 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -9.670 12.192 1.290 1.00 0.00 H new ATOM 728 N ALA A 56 -5.527 13.006 -3.990 1.00 0.00 N ATOM 729 CA ALA A 56 -5.855 12.199 -5.158 1.00 0.00 C ATOM 730 C ALA A 56 -4.786 11.141 -5.411 1.00 0.00 C ATOM 731 O ALA A 56 -5.080 10.058 -5.919 1.00 0.00 O ATOM 732 CB ALA A 56 -6.021 13.087 -6.383 1.00 0.00 C ATOM 0 H ALA A 56 -5.229 13.958 -4.205 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.797 11.687 -4.963 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.266 12.471 -7.248 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.825 13.802 -6.208 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.092 13.624 -6.571 1.00 0.00 H new ATOM 738 N ARG A 57 -3.547 11.460 -5.055 1.00 0.00 N ATOM 739 CA ARG A 57 -2.436 10.536 -5.246 1.00 0.00 C ATOM 740 C ARG A 57 -2.626 9.276 -4.407 1.00 0.00 C ATOM 741 O ARG A 57 -2.368 8.165 -4.870 1.00 0.00 O ATOM 742 CB ARG A 57 -1.113 11.213 -4.876 1.00 0.00 C ATOM 743 CG ARG A 57 -0.612 12.186 -5.930 1.00 0.00 C ATOM 744 CD ARG A 57 0.704 12.826 -5.517 1.00 0.00 C ATOM 745 NE ARG A 57 1.822 12.348 -6.326 1.00 0.00 N ATOM 746 CZ ARG A 57 3.029 12.902 -6.313 1.00 0.00 C ATOM 747 NH1 ARG A 57 3.273 13.948 -5.535 1.00 0.00 N ATOM 748 NH2 ARG A 57 3.995 12.410 -7.078 1.00 0.00 N ATOM 0 H ARG A 57 -3.287 12.351 -4.633 1.00 0.00 H new ATOM 0 HA ARG A 57 -2.410 10.251 -6.298 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -1.238 11.745 -3.933 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -0.356 10.446 -4.712 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.482 11.663 -6.877 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.359 12.962 -6.095 1.00 0.00 H new ATOM 0 HD2 ARG A 57 0.626 13.909 -5.611 1.00 0.00 H new ATOM 0 HD3 ARG A 57 0.898 12.610 -4.466 1.00 0.00 H new ATOM 0 HE ARG A 57 1.667 11.544 -6.935 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.533 14.328 -4.945 1.00 0.00 H new ATOM 0 HH12 ARG A 57 4.201 14.372 -5.527 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.811 11.605 -7.677 1.00 0.00 H new ATOM 0 HH22 ARG A 57 4.921 12.837 -7.067 1.00 0.00 H new ATOM 759 N PHE A 58 -3.079 9.457 -3.171 1.00 0.00 N ATOM 760 CA PHE A 58 -3.303 8.335 -2.266 1.00 0.00 C ATOM 761 C PHE A 58 -4.379 7.402 -2.814 1.00 0.00 C ATOM 762 O PHE A 58 -4.156 6.200 -2.965 1.00 0.00 O ATOM 763 CB PHE A 58 -3.709 8.842 -0.881 1.00 0.00 C ATOM 764 CG PHE A 58 -3.537 7.819 0.205 1.00 0.00 C ATOM 765 CD1 PHE A 58 -4.295 6.659 0.208 1.00 0.00 C ATOM 766 CD2 PHE A 58 -2.618 8.017 1.224 1.00 0.00 C ATOM 767 CE1 PHE A 58 -4.140 5.715 1.206 1.00 0.00 C ATOM 768 CE2 PHE A 58 -2.459 7.077 2.224 1.00 0.00 C ATOM 769 CZ PHE A 58 -3.220 5.925 2.216 1.00 0.00 C ATOM 0 H PHE A 58 -3.298 10.370 -2.773 1.00 0.00 H new ATOM 0 HA PHE A 58 -2.371 7.777 -2.181 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.115 9.723 -0.637 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.752 9.158 -0.910 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -5.015 6.490 -0.579 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -2.020 8.916 1.236 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -4.737 4.815 1.197 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -1.739 7.243 3.012 1.00 0.00 H new ATOM 0 HZ PHE A 58 -3.097 5.190 2.997 1.00 0.00 H new ATOM 778 N VAL A 59 -5.547 7.964 -3.109 1.00 0.00 N ATOM 779 CA VAL A 59 -6.658 7.184 -3.640 1.00 0.00 C ATOM 780 C VAL A 59 -6.287 6.530 -4.965 1.00 0.00 C ATOM 781 O VAL A 59 -6.753 5.436 -5.282 1.00 0.00 O ATOM 782 CB VAL A 59 -7.910 8.057 -3.844 1.00 0.00 C ATOM 783 CG1 VAL A 59 -7.567 9.301 -4.650 1.00 0.00 C ATOM 784 CG2 VAL A 59 -9.012 7.258 -4.524 1.00 0.00 C ATOM 0 H VAL A 59 -5.748 8.957 -2.989 1.00 0.00 H new ATOM 0 HA VAL A 59 -6.880 6.410 -2.906 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.274 8.375 -2.867 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -8.464 9.906 -4.784 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.813 9.882 -4.119 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.178 9.007 -5.625 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.889 7.891 -4.660 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -8.662 6.909 -5.495 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.276 6.401 -3.904 1.00 0.00 H new ATOM 794 N ALA A 60 -5.443 7.207 -5.737 1.00 0.00 N ATOM 795 CA ALA A 60 -5.006 6.691 -7.028 1.00 0.00 C ATOM 796 C ALA A 60 -4.179 5.421 -6.860 1.00 0.00 C ATOM 797 O ALA A 60 -4.255 4.506 -7.681 1.00 0.00 O ATOM 798 CB ALA A 60 -4.207 7.747 -7.777 1.00 0.00 C ATOM 0 H ALA A 60 -5.048 8.115 -5.490 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.893 6.442 -7.610 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.887 7.347 -8.739 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.829 8.627 -7.939 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.331 8.024 -7.191 1.00 0.00 H new ATOM 804 N ALA A 61 -3.391 5.369 -5.793 1.00 0.00 N ATOM 805 CA ALA A 61 -2.552 4.210 -5.516 1.00 0.00 C ATOM 806 C ALA A 61 -3.363 3.081 -4.893 1.00 0.00 C ATOM 807 O ALA A 61 -3.115 1.905 -5.157 1.00 0.00 O ATOM 808 CB ALA A 61 -1.397 4.599 -4.604 1.00 0.00 C ATOM 0 H ALA A 61 -3.316 6.118 -5.104 1.00 0.00 H new ATOM 0 HA ALA A 61 -2.148 3.852 -6.463 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.779 3.723 -4.406 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -0.794 5.367 -5.088 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -1.790 4.986 -3.664 1.00 0.00 H new ATOM 814 N ALA A 62 -4.334 3.445 -4.061 1.00 0.00 N ATOM 815 CA ALA A 62 -5.184 2.462 -3.401 1.00 0.00 C ATOM 816 C ALA A 62 -5.778 1.484 -4.409 1.00 0.00 C ATOM 817 O ALA A 62 -5.921 0.296 -4.125 1.00 0.00 O ATOM 818 CB ALA A 62 -6.290 3.158 -2.622 1.00 0.00 C ATOM 0 H ALA A 62 -4.551 4.414 -3.828 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.567 1.894 -2.705 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.917 2.411 -2.134 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.849 3.810 -1.868 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.898 3.752 -3.305 1.00 0.00 H new ATOM 824 N ALA A 63 -6.124 1.993 -5.587 1.00 0.00 N ATOM 825 CA ALA A 63 -6.702 1.164 -6.638 1.00 0.00 C ATOM 826 C ALA A 63 -5.784 -0.005 -6.983 1.00 0.00 C ATOM 827 O ALA A 63 -6.246 -1.075 -7.374 1.00 0.00 O ATOM 828 CB ALA A 63 -6.982 2.001 -7.876 1.00 0.00 C ATOM 0 H ALA A 63 -6.014 2.976 -5.838 1.00 0.00 H new ATOM 0 HA ALA A 63 -7.643 0.756 -6.269 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.413 1.369 -8.652 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -7.683 2.798 -7.626 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.051 2.437 -8.239 1.00 0.00 H new ATOM 834 N LYS A 64 -4.480 0.211 -6.835 1.00 0.00 N ATOM 835 CA LYS A 64 -3.496 -0.824 -7.130 1.00 0.00 C ATOM 836 C LYS A 64 -3.536 -1.929 -6.079 1.00 0.00 C ATOM 837 O LYS A 64 -3.575 -3.113 -6.410 1.00 0.00 O ATOM 838 CB LYS A 64 -2.093 -0.219 -7.195 1.00 0.00 C ATOM 839 CG LYS A 64 -1.313 -0.621 -8.435 1.00 0.00 C ATOM 840 CD LYS A 64 -1.210 -2.132 -8.562 1.00 0.00 C ATOM 841 CE LYS A 64 -0.106 -2.537 -9.527 1.00 0.00 C ATOM 842 NZ LYS A 64 -0.227 -1.832 -10.834 1.00 0.00 N ATOM 0 H LYS A 64 -4.081 1.093 -6.513 1.00 0.00 H new ATOM 0 HA LYS A 64 -3.743 -1.259 -8.099 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -2.173 0.868 -7.163 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.534 -0.523 -6.310 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.800 -0.213 -9.321 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.313 -0.189 -8.393 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.016 -2.568 -7.582 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -2.162 -2.535 -8.907 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.864 -2.315 -9.083 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.143 -3.614 -9.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 0.370 -2.307 -11.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.218 -1.851 -11.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 0.083 -0.845 -10.726 1.00 0.00 H new ATOM 852 N VAL A 65 -3.528 -1.532 -4.810 1.00 0.00 N ATOM 853 CA VAL A 65 -3.565 -2.489 -3.710 1.00 0.00 C ATOM 854 C VAL A 65 -4.878 -3.265 -3.701 1.00 0.00 C ATOM 855 O VAL A 65 -4.914 -4.439 -3.335 1.00 0.00 O ATOM 856 CB VAL A 65 -3.387 -1.788 -2.350 1.00 0.00 C ATOM 857 CG1 VAL A 65 -3.185 -2.812 -1.244 1.00 0.00 C ATOM 858 CG2 VAL A 65 -2.223 -0.811 -2.404 1.00 0.00 C ATOM 0 H VAL A 65 -3.496 -0.555 -4.519 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.738 -3.181 -3.865 1.00 0.00 H new ATOM 0 HB VAL A 65 -4.294 -1.225 -2.129 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.061 -2.298 -0.291 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.054 -3.468 -1.192 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.295 -3.405 -1.455 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.111 -0.324 -1.435 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.307 -1.349 -2.648 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -2.415 -0.058 -3.168 1.00 0.00 H new ATOM 868 N ASN A 66 -5.955 -2.601 -4.107 1.00 0.00 N ATOM 869 CA ASN A 66 -7.271 -3.228 -4.146 1.00 0.00 C ATOM 870 C ASN A 66 -7.326 -4.311 -5.220 1.00 0.00 C ATOM 871 O ASN A 66 -7.811 -5.417 -4.979 1.00 0.00 O ATOM 872 CB ASN A 66 -8.352 -2.178 -4.409 1.00 0.00 C ATOM 873 CG ASN A 66 -9.597 -2.774 -5.037 1.00 0.00 C ATOM 874 OD1 ASN A 66 -10.532 -3.163 -4.338 1.00 0.00 O ATOM 875 ND2 ASN A 66 -9.613 -2.849 -6.363 1.00 0.00 N ATOM 0 H ASN A 66 -5.942 -1.628 -4.414 1.00 0.00 H new ATOM 0 HA ASN A 66 -7.453 -3.692 -3.177 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -8.619 -1.692 -3.470 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -7.952 -1.405 -5.065 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -10.424 -3.242 -6.842 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -8.815 -2.514 -6.902 1.00 0.00 H new ATOM 881 N THR A 67 -6.824 -3.984 -6.408 1.00 0.00 N ATOM 882 CA THR A 67 -6.816 -4.927 -7.519 1.00 0.00 C ATOM 883 C THR A 67 -5.905 -6.114 -7.226 1.00 0.00 C ATOM 884 O THR A 67 -6.157 -7.231 -7.681 1.00 0.00 O ATOM 885 CB THR A 67 -6.359 -4.252 -8.826 1.00 0.00 C ATOM 886 OG1 THR A 67 -7.262 -3.198 -9.175 1.00 0.00 O ATOM 887 CG2 THR A 67 -6.288 -5.263 -9.960 1.00 0.00 C ATOM 0 H THR A 67 -6.418 -3.074 -6.624 1.00 0.00 H new ATOM 0 HA THR A 67 -7.840 -5.280 -7.641 1.00 0.00 H new ATOM 0 HB THR A 67 -5.363 -3.838 -8.667 1.00 0.00 H new ATOM 0 HG1 THR A 67 -7.062 -2.404 -8.636 1.00 0.00 H new ATOM 0 HG21 THR A 67 -5.963 -4.764 -10.873 1.00 0.00 H new ATOM 0 HG22 THR A 67 -5.577 -6.048 -9.703 1.00 0.00 H new ATOM 0 HG23 THR A 67 -7.273 -5.703 -10.118 1.00 0.00 H new ATOM 895 N LEU A 68 -4.844 -5.866 -6.466 1.00 0.00 N ATOM 896 CA LEU A 68 -3.894 -6.914 -6.111 1.00 0.00 C ATOM 897 C LEU A 68 -4.484 -7.851 -5.062 1.00 0.00 C ATOM 898 O LEU A 68 -4.101 -9.018 -4.970 1.00 0.00 O ATOM 899 CB LEU A 68 -2.595 -6.298 -5.591 1.00 0.00 C ATOM 900 CG LEU A 68 -1.777 -5.500 -6.606 1.00 0.00 C ATOM 901 CD1 LEU A 68 -0.864 -4.511 -5.898 1.00 0.00 C ATOM 902 CD2 LEU A 68 -0.966 -6.437 -7.492 1.00 0.00 C ATOM 0 H LEU A 68 -4.620 -4.947 -6.084 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.678 -7.494 -7.008 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.837 -5.643 -4.754 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.968 -7.099 -5.199 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.466 -4.939 -7.238 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -0.290 -3.952 -6.637 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -1.465 -3.820 -5.307 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.182 -5.051 -5.241 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.390 -5.852 -8.209 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.287 -7.025 -6.874 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.640 -7.105 -8.028 1.00 0.00 H new ATOM 913 N LEU A 69 -5.417 -7.333 -4.272 1.00 0.00 N ATOM 914 CA LEU A 69 -6.062 -8.122 -3.228 1.00 0.00 C ATOM 915 C LEU A 69 -6.993 -9.168 -3.833 1.00 0.00 C ATOM 916 O LEU A 69 -7.198 -10.238 -3.260 1.00 0.00 O ATOM 917 CB LEU A 69 -6.846 -7.211 -2.282 1.00 0.00 C ATOM 918 CG LEU A 69 -6.034 -6.535 -1.176 1.00 0.00 C ATOM 919 CD1 LEU A 69 -6.917 -5.604 -0.359 1.00 0.00 C ATOM 920 CD2 LEU A 69 -5.381 -7.578 -0.280 1.00 0.00 C ATOM 0 H LEU A 69 -5.744 -6.369 -4.334 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.284 -8.637 -2.664 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.331 -6.436 -2.875 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.638 -7.798 -1.817 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.247 -5.941 -1.640 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.322 -5.132 0.423 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.336 -4.836 -1.009 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.726 -6.176 0.096 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.807 -7.079 0.501 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.152 -8.199 0.176 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.716 -8.204 -0.875 1.00 0.00 H new ATOM 931 N ASP A 70 -7.553 -8.852 -4.996 1.00 0.00 N ATOM 932 CA ASP A 70 -8.460 -9.764 -5.682 1.00 0.00 C ATOM 933 C ASP A 70 -7.685 -10.874 -6.385 1.00 0.00 C ATOM 934 O ASP A 70 -7.961 -12.058 -6.188 1.00 0.00 O ATOM 935 CB ASP A 70 -9.315 -9.001 -6.695 1.00 0.00 C ATOM 936 CG ASP A 70 -10.743 -9.509 -6.746 1.00 0.00 C ATOM 937 OD1 ASP A 70 -10.977 -10.664 -6.332 1.00 0.00 O ATOM 938 OD2 ASP A 70 -11.627 -8.753 -7.202 1.00 0.00 O ATOM 0 H ASP A 70 -7.394 -7.970 -5.483 1.00 0.00 H new ATOM 0 HA ASP A 70 -9.113 -10.218 -4.936 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -9.318 -7.942 -6.439 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -8.866 -9.088 -7.684 1.00 0.00 H new ATOM 942 N VAL A 71 -6.716 -10.484 -7.206 1.00 0.00 N ATOM 943 CA VAL A 71 -5.901 -11.446 -7.938 1.00 0.00 C ATOM 944 C VAL A 71 -5.113 -12.338 -6.985 1.00 0.00 C ATOM 945 O VAL A 71 -4.868 -13.509 -7.274 1.00 0.00 O ATOM 946 CB VAL A 71 -4.918 -10.739 -8.891 1.00 0.00 C ATOM 947 CG1 VAL A 71 -5.675 -9.974 -9.967 1.00 0.00 C ATOM 948 CG2 VAL A 71 -3.997 -9.811 -8.113 1.00 0.00 C ATOM 0 H VAL A 71 -6.476 -9.508 -7.381 1.00 0.00 H new ATOM 0 HA VAL A 71 -6.586 -12.060 -8.523 1.00 0.00 H new ATOM 0 HB VAL A 71 -4.305 -11.496 -9.380 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.965 -9.481 -10.631 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -6.289 -10.667 -10.542 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -6.314 -9.225 -9.499 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -3.309 -9.320 -8.801 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -4.592 -9.058 -7.595 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.429 -10.389 -7.384 1.00 0.00 H new ATOM 958 N ALA A 72 -4.721 -11.776 -5.846 1.00 0.00 N ATOM 959 CA ALA A 72 -3.963 -12.520 -4.849 1.00 0.00 C ATOM 960 C ALA A 72 -4.787 -13.671 -4.280 1.00 0.00 C ATOM 961 O ALA A 72 -4.318 -14.806 -4.211 1.00 0.00 O ATOM 962 CB ALA A 72 -3.506 -11.594 -3.731 1.00 0.00 C ATOM 0 H ALA A 72 -4.916 -10.808 -5.591 1.00 0.00 H new ATOM 0 HA ALA A 72 -3.085 -12.941 -5.338 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -2.941 -12.165 -2.994 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.873 -10.809 -4.145 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.376 -11.144 -3.252 1.00 0.00 H new ATOM 968 N GLN A 73 -6.015 -13.369 -3.874 1.00 0.00 N ATOM 969 CA GLN A 73 -6.903 -14.379 -3.309 1.00 0.00 C ATOM 970 C GLN A 73 -7.392 -15.339 -4.389 1.00 0.00 C ATOM 971 O GLN A 73 -7.593 -16.525 -4.133 1.00 0.00 O ATOM 972 CB GLN A 73 -8.098 -13.712 -2.625 1.00 0.00 C ATOM 973 CG GLN A 73 -7.704 -12.706 -1.556 1.00 0.00 C ATOM 974 CD GLN A 73 -8.786 -11.678 -1.294 1.00 0.00 C ATOM 975 OE1 GLN A 73 -9.665 -11.457 -2.130 1.00 0.00 O ATOM 976 NE2 GLN A 73 -8.730 -11.041 -0.131 1.00 0.00 N ATOM 0 H GLN A 73 -6.418 -12.434 -3.925 1.00 0.00 H new ATOM 0 HA GLN A 73 -6.340 -14.949 -2.569 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -8.704 -13.210 -3.379 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -8.724 -14.482 -2.174 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -7.479 -13.235 -0.630 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -6.790 -12.196 -1.862 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -7.985 -11.255 0.532 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -9.432 -10.338 0.100 1.00 0.00 H new ATOM 983 N ALA A 74 -7.579 -14.816 -5.597 1.00 0.00 N ATOM 984 CA ALA A 74 -8.041 -15.628 -6.717 1.00 0.00 C ATOM 985 C ALA A 74 -6.949 -16.578 -7.194 1.00 0.00 C ATOM 986 O ALA A 74 -7.229 -17.698 -7.618 1.00 0.00 O ATOM 987 CB ALA A 74 -8.505 -14.736 -7.859 1.00 0.00 C ATOM 0 H ALA A 74 -7.418 -13.835 -5.825 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.884 -16.229 -6.375 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -8.847 -15.355 -8.688 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.324 -14.103 -7.517 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.677 -14.110 -8.191 1.00 0.00 H new ATOM 993 N ASN A 75 -5.702 -16.121 -7.124 1.00 0.00 N ATOM 994 CA ASN A 75 -4.567 -16.931 -7.552 1.00 0.00 C ATOM 995 C ASN A 75 -4.163 -17.920 -6.462 1.00 0.00 C ATOM 996 O ASN A 75 -3.811 -19.065 -6.747 1.00 0.00 O ATOM 997 CB ASN A 75 -3.380 -16.034 -7.909 1.00 0.00 C ATOM 998 CG ASN A 75 -3.496 -15.447 -9.302 1.00 0.00 C ATOM 999 OD1 ASN A 75 -4.681 -14.948 -9.636 1.00 0.00 O flip ATOM 1000 ND2 ASN A 75 -2.533 -15.444 -10.069 1.00 0.00 N flip ATOM 0 H ASN A 75 -5.453 -15.195 -6.775 1.00 0.00 H new ATOM 0 HA ASN A 75 -4.866 -17.494 -8.436 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -3.308 -15.225 -7.182 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -2.458 -16.611 -7.837 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -1.641 -15.838 -9.770 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -2.627 -15.047 -11.004 1.00 0.00 H new ATOM 1006 N LEU A 76 -4.215 -17.469 -5.214 1.00 0.00 N ATOM 1007 CA LEU A 76 -3.856 -18.313 -4.080 1.00 0.00 C ATOM 1008 C LEU A 76 -4.971 -19.305 -3.763 1.00 0.00 C ATOM 1009 O LEU A 76 -4.716 -20.413 -3.293 1.00 0.00 O ATOM 1010 CB LEU A 76 -3.558 -17.452 -2.851 1.00 0.00 C ATOM 1011 CG LEU A 76 -2.284 -16.611 -2.914 1.00 0.00 C ATOM 1012 CD1 LEU A 76 -2.111 -15.806 -1.635 1.00 0.00 C ATOM 1013 CD2 LEU A 76 -1.071 -17.497 -3.156 1.00 0.00 C ATOM 0 H LEU A 76 -4.502 -16.523 -4.961 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.961 -18.875 -4.347 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.403 -16.783 -2.687 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.495 -18.106 -1.981 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.373 -15.915 -3.748 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -1.198 -15.213 -1.699 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.966 -15.143 -1.504 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -2.045 -16.484 -0.784 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.173 -16.881 -3.198 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.979 -18.218 -2.343 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.191 -18.028 -4.100 1.00 0.00 H new ATOM 1024 N GLY A 77 -6.209 -18.898 -4.025 1.00 0.00 N ATOM 1025 CA GLY A 77 -7.346 -19.762 -3.764 1.00 0.00 C ATOM 1026 C GLY A 77 -7.687 -19.841 -2.289 1.00 0.00 C ATOM 1027 O GLY A 77 -8.723 -19.337 -1.857 1.00 0.00 O ATOM 0 H GLY A 77 -6.445 -17.985 -4.414 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -8.212 -19.394 -4.315 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -7.131 -20.763 -4.138 1.00 0.00 H new ATOM 1031 N GLU A 78 -6.813 -20.478 -1.515 1.00 0.00 N ATOM 1032 CA GLU A 78 -7.029 -20.622 -0.080 1.00 0.00 C ATOM 1033 C GLU A 78 -7.322 -19.271 0.566 1.00 0.00 C ATOM 1034 O GLU A 78 -8.139 -19.172 1.481 1.00 0.00 O ATOM 1035 CB GLU A 78 -5.806 -21.261 0.581 1.00 0.00 C ATOM 1036 CG GLU A 78 -6.134 -22.495 1.406 1.00 0.00 C ATOM 1037 CD GLU A 78 -4.959 -22.968 2.239 1.00 0.00 C ATOM 1038 OE1 GLU A 78 -4.457 -22.176 3.063 1.00 0.00 O ATOM 1039 OE2 GLU A 78 -4.541 -24.133 2.067 1.00 0.00 O ATOM 0 H GLU A 78 -5.951 -20.902 -1.857 1.00 0.00 H new ATOM 0 HA GLU A 78 -7.893 -21.270 0.067 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.086 -21.532 -0.191 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -5.323 -20.523 1.222 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -6.975 -22.275 2.063 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -6.450 -23.299 0.741 1.00 0.00 H new ATOM 1044 N ALA A 79 -6.649 -18.232 0.081 1.00 0.00 N ATOM 1045 CA ALA A 79 -6.836 -16.887 0.610 1.00 0.00 C ATOM 1046 C ALA A 79 -8.308 -16.487 0.581 1.00 0.00 C ATOM 1047 O ALA A 79 -8.877 -16.102 1.602 1.00 0.00 O ATOM 1048 CB ALA A 79 -6.001 -15.889 -0.178 1.00 0.00 C ATOM 0 H ALA A 79 -5.970 -18.297 -0.677 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.504 -16.882 1.648 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -6.151 -14.889 0.228 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.947 -16.157 -0.103 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -6.306 -15.905 -1.224 1.00 0.00 H new ATOM 1533 N ALA B 620 3.411 11.835 10.363 1.00 0.00 N ATOM 1534 CA ALA B 620 3.939 10.827 9.452 1.00 0.00 C ATOM 1535 C ALA B 620 3.717 9.422 10.000 1.00 0.00 C ATOM 1536 O ALA B 620 3.549 8.468 9.242 1.00 0.00 O ATOM 1537 CB ALA B 620 5.420 11.069 9.199 1.00 0.00 C ATOM 0 HA ALA B 620 3.402 10.909 8.507 1.00 0.00 H new ATOM 0 HB1 ALA B 620 5.802 10.309 8.517 1.00 0.00 H new ATOM 0 HB2 ALA B 620 5.557 12.056 8.756 1.00 0.00 H new ATOM 0 HB3 ALA B 620 5.964 11.016 10.142 1.00 0.00 H new ATOM 1543 N GLY B 621 3.720 9.301 11.324 1.00 0.00 N ATOM 1544 CA GLY B 621 3.519 8.007 11.952 1.00 0.00 C ATOM 1545 C GLY B 621 2.262 7.315 11.461 1.00 0.00 C ATOM 1546 O GLY B 621 2.210 6.087 11.388 1.00 0.00 O ATOM 0 H GLY B 621 3.858 10.075 11.973 1.00 0.00 H new ATOM 0 HA2 GLY B 621 4.382 7.371 11.753 1.00 0.00 H new ATOM 0 HA3 GLY B 621 3.461 8.136 13.033 1.00 0.00 H new ATOM 1550 N TYR B 622 1.247 8.102 11.126 1.00 0.00 N ATOM 1551 CA TYR B 622 -0.017 7.557 10.644 1.00 0.00 C ATOM 1552 C TYR B 622 0.205 6.660 9.430 1.00 0.00 C ATOM 1553 O TYR B 622 -0.183 5.492 9.429 1.00 0.00 O ATOM 1554 CB TYR B 622 -0.981 8.689 10.286 1.00 0.00 C ATOM 1555 CG TYR B 622 -1.815 9.165 11.453 1.00 0.00 C ATOM 1556 CD1 TYR B 622 -2.891 8.418 11.916 1.00 0.00 C ATOM 1557 CD2 TYR B 622 -1.526 10.364 12.096 1.00 0.00 C ATOM 1558 CE1 TYR B 622 -3.656 8.850 12.982 1.00 0.00 C ATOM 1559 CE2 TYR B 622 -2.285 10.804 13.163 1.00 0.00 C ATOM 1560 CZ TYR B 622 -3.350 10.043 13.602 1.00 0.00 C ATOM 1561 OH TYR B 622 -4.108 10.477 14.665 1.00 0.00 O ATOM 0 H TYR B 622 1.274 9.120 11.179 1.00 0.00 H new ATOM 0 HA TYR B 622 -0.453 6.957 11.442 1.00 0.00 H new ATOM 0 HB2 TYR B 622 -0.410 9.530 9.891 1.00 0.00 H new ATOM 0 HB3 TYR B 622 -1.644 8.352 9.490 1.00 0.00 H new ATOM 0 HD1 TYR B 622 -3.134 7.483 11.434 1.00 0.00 H new ATOM 0 HD2 TYR B 622 -0.693 10.962 11.755 1.00 0.00 H new ATOM 0 HE1 TYR B 622 -4.489 8.256 13.328 1.00 0.00 H new ATOM 0 HE2 TYR B 622 -2.047 11.738 13.651 1.00 0.00 H new ATOM 0 HH TYR B 622 -3.759 11.334 14.988 1.00 0.00 H new ATOM 1570 N ALA B 623 0.831 7.215 8.398 1.00 0.00 N ATOM 1571 CA ALA B 623 1.108 6.465 7.179 1.00 0.00 C ATOM 1572 C ALA B 623 1.853 5.171 7.488 1.00 0.00 C ATOM 1573 O ALA B 623 1.637 4.150 6.837 1.00 0.00 O ATOM 1574 CB ALA B 623 1.907 7.319 6.205 1.00 0.00 C ATOM 0 H ALA B 623 1.156 8.182 8.382 1.00 0.00 H new ATOM 0 HA ALA B 623 0.156 6.203 6.718 1.00 0.00 H new ATOM 0 HB1 ALA B 623 2.107 6.747 5.299 1.00 0.00 H new ATOM 0 HB2 ALA B 623 1.336 8.212 5.951 1.00 0.00 H new ATOM 0 HB3 ALA B 623 2.851 7.610 6.666 1.00 0.00 H new ATOM 1580 N GLY B 624 2.733 5.223 8.483 1.00 0.00 N ATOM 1581 CA GLY B 624 3.497 4.048 8.859 1.00 0.00 C ATOM 1582 C GLY B 624 2.615 2.851 9.150 1.00 0.00 C ATOM 1583 O GLY B 624 3.047 1.704 9.020 1.00 0.00 O ATOM 0 H GLY B 624 2.930 6.058 9.035 1.00 0.00 H new ATOM 0 HA2 GLY B 624 4.191 3.798 8.056 1.00 0.00 H new ATOM 0 HA3 GLY B 624 4.097 4.276 9.740 1.00 0.00 H new ATOM 1587 N THR B 625 1.374 3.115 9.546 1.00 0.00 N ATOM 1588 CA THR B 625 0.429 2.050 9.860 1.00 0.00 C ATOM 1589 C THR B 625 0.104 1.221 8.622 1.00 0.00 C ATOM 1590 O THR B 625 0.005 -0.004 8.692 1.00 0.00 O ATOM 1591 CB THR B 625 -0.880 2.615 10.445 1.00 0.00 C ATOM 1592 OG1 THR B 625 -0.606 3.335 11.651 1.00 0.00 O ATOM 1593 CG2 THR B 625 -1.872 1.497 10.729 1.00 0.00 C ATOM 0 H THR B 625 1.000 4.057 9.657 1.00 0.00 H new ATOM 0 HA THR B 625 0.906 1.413 10.605 1.00 0.00 H new ATOM 0 HB THR B 625 -1.319 3.291 9.711 1.00 0.00 H new ATOM 0 HG1 THR B 625 -0.388 4.265 11.434 1.00 0.00 H new ATOM 0 HG21 THR B 625 -2.788 1.920 11.141 1.00 0.00 H new ATOM 0 HG22 THR B 625 -2.100 0.969 9.803 1.00 0.00 H new ATOM 0 HG23 THR B 625 -1.439 0.800 11.446 1.00 0.00 H new ATOM 1601 N LEU B 626 -0.062 1.897 7.490 1.00 0.00 N ATOM 1602 CA LEU B 626 -0.375 1.223 6.235 1.00 0.00 C ATOM 1603 C LEU B 626 0.790 0.348 5.781 1.00 0.00 C ATOM 1604 O LEU B 626 0.587 -0.746 5.258 1.00 0.00 O ATOM 1605 CB LEU B 626 -0.709 2.250 5.152 1.00 0.00 C ATOM 1606 CG LEU B 626 -2.064 2.947 5.283 1.00 0.00 C ATOM 1607 CD1 LEU B 626 -3.178 1.924 5.434 1.00 0.00 C ATOM 1608 CD2 LEU B 626 -2.056 3.908 6.463 1.00 0.00 C ATOM 0 H LEU B 626 0.015 2.911 7.416 1.00 0.00 H new ATOM 0 HA LEU B 626 -1.242 0.584 6.401 1.00 0.00 H new ATOM 0 HB2 LEU B 626 0.070 3.012 5.149 1.00 0.00 H new ATOM 0 HB3 LEU B 626 -0.671 1.752 4.183 1.00 0.00 H new ATOM 0 HG LEU B 626 -2.246 3.520 4.374 1.00 0.00 H new ATOM 0 HD11 LEU B 626 -4.135 2.439 5.526 1.00 0.00 H new ATOM 0 HD12 LEU B 626 -3.198 1.275 4.558 1.00 0.00 H new ATOM 0 HD13 LEU B 626 -3.002 1.323 6.326 1.00 0.00 H new ATOM 0 HD21 LEU B 626 -3.028 4.396 6.542 1.00 0.00 H new ATOM 0 HD22 LEU B 626 -1.851 3.356 7.380 1.00 0.00 H new ATOM 0 HD23 LEU B 626 -1.283 4.662 6.313 1.00 0.00 H new ATOM 1619 N GLN B 627 2.007 0.839 5.989 1.00 0.00 N ATOM 1620 CA GLN B 627 3.203 0.100 5.603 1.00 0.00 C ATOM 1621 C GLN B 627 3.181 -1.312 6.177 1.00 0.00 C ATOM 1622 O GLN B 627 3.455 -2.284 5.472 1.00 0.00 O ATOM 1623 CB GLN B 627 4.458 0.836 6.077 1.00 0.00 C ATOM 1624 CG GLN B 627 5.743 0.308 5.459 1.00 0.00 C ATOM 1625 CD GLN B 627 6.778 -0.071 6.500 1.00 0.00 C ATOM 1626 OE1 GLN B 627 7.558 0.768 6.951 1.00 0.00 O ATOM 1627 NE2 GLN B 627 6.790 -1.341 6.888 1.00 0.00 N ATOM 0 H GLN B 627 2.191 1.744 6.422 1.00 0.00 H new ATOM 0 HA GLN B 627 3.220 0.030 4.515 1.00 0.00 H new ATOM 0 HB2 GLN B 627 4.359 1.895 5.840 1.00 0.00 H new ATOM 0 HB3 GLN B 627 4.527 0.757 7.162 1.00 0.00 H new ATOM 0 HG2 GLN B 627 5.515 -0.563 4.845 1.00 0.00 H new ATOM 0 HG3 GLN B 627 6.161 1.065 4.796 1.00 0.00 H new ATOM 0 HE21 GLN B 627 6.125 -2.003 6.488 1.00 0.00 H new ATOM 0 HE22 GLN B 627 7.464 -1.655 7.586 1.00 0.00 H new ATOM 1634 N SER B 628 2.853 -1.419 7.460 1.00 0.00 N ATOM 1635 CA SER B 628 2.798 -2.713 8.130 1.00 0.00 C ATOM 1636 C SER B 628 1.536 -3.475 7.738 1.00 0.00 C ATOM 1637 O SER B 628 1.576 -4.683 7.497 1.00 0.00 O ATOM 1638 CB SER B 628 2.843 -2.527 9.648 1.00 0.00 C ATOM 1639 OG SER B 628 4.180 -2.462 10.114 1.00 0.00 O ATOM 0 H SER B 628 2.621 -0.625 8.057 1.00 0.00 H new ATOM 0 HA SER B 628 3.665 -3.294 7.816 1.00 0.00 H new ATOM 0 HB2 SER B 628 2.314 -1.614 9.922 1.00 0.00 H new ATOM 0 HB3 SER B 628 2.325 -3.353 10.134 1.00 0.00 H new ATOM 0 HG SER B 628 4.182 -2.341 11.087 1.00 0.00 H new ATOM 1644 N LEU B 629 0.418 -2.762 7.674 1.00 0.00 N ATOM 1645 CA LEU B 629 -0.858 -3.370 7.311 1.00 0.00 C ATOM 1646 C LEU B 629 -0.750 -4.105 5.980 1.00 0.00 C ATOM 1647 O LEU B 629 -1.100 -5.281 5.877 1.00 0.00 O ATOM 1648 CB LEU B 629 -1.950 -2.302 7.231 1.00 0.00 C ATOM 1649 CG LEU B 629 -3.351 -2.741 7.658 1.00 0.00 C ATOM 1650 CD1 LEU B 629 -3.756 -4.013 6.930 1.00 0.00 C ATOM 1651 CD2 LEU B 629 -3.410 -2.944 9.165 1.00 0.00 C ATOM 0 H LEU B 629 0.368 -1.762 7.869 1.00 0.00 H new ATOM 0 HA LEU B 629 -1.122 -4.092 8.084 1.00 0.00 H new ATOM 0 HB2 LEU B 629 -1.651 -1.458 7.852 1.00 0.00 H new ATOM 0 HB3 LEU B 629 -2.002 -1.940 6.204 1.00 0.00 H new ATOM 0 HG LEU B 629 -4.056 -1.954 7.390 1.00 0.00 H new ATOM 0 HD11 LEU B 629 -4.756 -4.311 7.246 1.00 0.00 H new ATOM 0 HD12 LEU B 629 -3.754 -3.833 5.855 1.00 0.00 H new ATOM 0 HD13 LEU B 629 -3.049 -4.808 7.166 1.00 0.00 H new ATOM 0 HD21 LEU B 629 -4.414 -3.256 9.451 1.00 0.00 H new ATOM 0 HD22 LEU B 629 -2.694 -3.712 9.457 1.00 0.00 H new ATOM 0 HD23 LEU B 629 -3.164 -2.009 9.668 1.00 0.00 H new ATOM 1662 N GLY B 630 -0.263 -3.406 4.960 1.00 0.00 N ATOM 1663 CA GLY B 630 -0.117 -4.009 3.648 1.00 0.00 C ATOM 1664 C GLY B 630 0.944 -5.090 3.623 1.00 0.00 C ATOM 1665 O GLY B 630 0.805 -6.090 2.917 1.00 0.00 O ATOM 0 H GLY B 630 0.033 -2.432 5.019 1.00 0.00 H new ATOM 0 HA2 GLY B 630 -1.072 -4.434 3.338 1.00 0.00 H new ATOM 0 HA3 GLY B 630 0.138 -3.236 2.923 1.00 0.00 H new ATOM 1669 N ALA B 631 2.008 -4.892 4.394 1.00 0.00 N ATOM 1670 CA ALA B 631 3.097 -5.859 4.458 1.00 0.00 C ATOM 1671 C ALA B 631 2.589 -7.230 4.894 1.00 0.00 C ATOM 1672 O ALA B 631 3.111 -8.260 4.470 1.00 0.00 O ATOM 1673 CB ALA B 631 4.182 -5.371 5.406 1.00 0.00 C ATOM 0 H ALA B 631 2.139 -4.070 4.983 1.00 0.00 H new ATOM 0 HA ALA B 631 3.521 -5.958 3.459 1.00 0.00 H new ATOM 0 HB1 ALA B 631 4.989 -6.103 5.444 1.00 0.00 H new ATOM 0 HB2 ALA B 631 4.574 -4.418 5.051 1.00 0.00 H new ATOM 0 HB3 ALA B 631 3.762 -5.242 6.404 1.00 0.00 H new ATOM 1679 N GLU B 632 1.567 -7.234 5.745 1.00 0.00 N ATOM 1680 CA GLU B 632 0.990 -8.478 6.240 1.00 0.00 C ATOM 1681 C GLU B 632 0.456 -9.325 5.089 1.00 0.00 C ATOM 1682 O GLU B 632 0.591 -10.550 5.091 1.00 0.00 O ATOM 1683 CB GLU B 632 -0.133 -8.185 7.236 1.00 0.00 C ATOM 1684 CG GLU B 632 0.325 -8.175 8.685 1.00 0.00 C ATOM 1685 CD GLU B 632 0.830 -9.528 9.147 1.00 0.00 C ATOM 1686 OE1 GLU B 632 0.812 -10.475 8.334 1.00 0.00 O ATOM 1687 OE2 GLU B 632 1.241 -9.638 10.321 1.00 0.00 O ATOM 0 H GLU B 632 1.122 -6.390 6.105 1.00 0.00 H new ATOM 0 HA GLU B 632 1.777 -9.038 6.746 1.00 0.00 H new ATOM 0 HB2 GLU B 632 -0.576 -7.218 6.997 1.00 0.00 H new ATOM 0 HB3 GLU B 632 -0.917 -8.933 7.117 1.00 0.00 H new ATOM 0 HG2 GLU B 632 1.116 -7.435 8.807 1.00 0.00 H new ATOM 0 HG3 GLU B 632 -0.503 -7.864 9.322 1.00 0.00 H new ATOM 1692 N ILE B 633 -0.150 -8.665 4.107 1.00 0.00 N ATOM 1693 CA ILE B 633 -0.703 -9.358 2.951 1.00 0.00 C ATOM 1694 C ILE B 633 0.402 -9.838 2.017 1.00 0.00 C ATOM 1695 O ILE B 633 0.298 -10.906 1.414 1.00 0.00 O ATOM 1696 CB ILE B 633 -1.669 -8.452 2.162 1.00 0.00 C ATOM 1697 CG1 ILE B 633 -2.830 -8.009 3.054 1.00 0.00 C ATOM 1698 CG2 ILE B 633 -2.187 -9.178 0.929 1.00 0.00 C ATOM 1699 CD1 ILE B 633 -3.192 -6.550 2.893 1.00 0.00 C ATOM 0 H ILE B 633 -0.270 -7.652 4.090 1.00 0.00 H new ATOM 0 HA ILE B 633 -1.253 -10.219 3.332 1.00 0.00 H new ATOM 0 HB ILE B 633 -1.127 -7.564 1.836 1.00 0.00 H new ATOM 0 HG12 ILE B 633 -3.705 -8.619 2.828 1.00 0.00 H new ATOM 0 HG13 ILE B 633 -2.570 -8.198 4.096 1.00 0.00 H new ATOM 0 HG21 ILE B 633 -2.868 -8.526 0.382 1.00 0.00 H new ATOM 0 HG22 ILE B 633 -1.349 -9.448 0.287 1.00 0.00 H new ATOM 0 HG23 ILE B 633 -2.716 -10.081 1.234 1.00 0.00 H new ATOM 0 HD11 ILE B 633 -4.023 -6.306 3.555 1.00 0.00 H new ATOM 0 HD12 ILE B 633 -2.331 -5.931 3.147 1.00 0.00 H new ATOM 0 HD13 ILE B 633 -3.483 -6.359 1.860 1.00 0.00 H new ATOM 1710 N ALA B 634 1.461 -9.044 1.904 1.00 0.00 N ATOM 1711 CA ALA B 634 2.588 -9.391 1.047 1.00 0.00 C ATOM 1712 C ALA B 634 3.273 -10.665 1.529 1.00 0.00 C ATOM 1713 O ALA B 634 3.452 -11.613 0.764 1.00 0.00 O ATOM 1714 CB ALA B 634 3.583 -8.242 0.994 1.00 0.00 C ATOM 0 H ALA B 634 1.562 -8.156 2.395 1.00 0.00 H new ATOM 0 HA ALA B 634 2.206 -9.574 0.043 1.00 0.00 H new ATOM 0 HB1 ALA B 634 4.420 -8.515 0.351 1.00 0.00 H new ATOM 0 HB2 ALA B 634 3.093 -7.354 0.595 1.00 0.00 H new ATOM 0 HB3 ALA B 634 3.951 -8.033 1.998 1.00 0.00 H new ATOM 1720 N VAL B 635 3.654 -10.681 2.803 1.00 0.00 N ATOM 1721 CA VAL B 635 4.320 -11.839 3.387 1.00 0.00 C ATOM 1722 C VAL B 635 3.476 -13.098 3.223 1.00 0.00 C ATOM 1723 O VAL B 635 4.007 -14.194 3.050 1.00 0.00 O ATOM 1724 CB VAL B 635 4.612 -11.622 4.884 1.00 0.00 C ATOM 1725 CG1 VAL B 635 3.330 -11.310 5.639 1.00 0.00 C ATOM 1726 CG2 VAL B 635 5.303 -12.842 5.473 1.00 0.00 C ATOM 0 H VAL B 635 3.513 -9.905 3.450 1.00 0.00 H new ATOM 0 HA VAL B 635 5.263 -11.965 2.855 1.00 0.00 H new ATOM 0 HB VAL B 635 5.282 -10.768 4.986 1.00 0.00 H new ATOM 0 HG11 VAL B 635 3.557 -11.160 6.695 1.00 0.00 H new ATOM 0 HG12 VAL B 635 2.879 -10.405 5.232 1.00 0.00 H new ATOM 0 HG13 VAL B 635 2.633 -12.141 5.532 1.00 0.00 H new ATOM 0 HG21 VAL B 635 5.502 -12.672 6.531 1.00 0.00 H new ATOM 0 HG22 VAL B 635 4.659 -13.714 5.360 1.00 0.00 H new ATOM 0 HG23 VAL B 635 6.244 -13.015 4.950 1.00 0.00 H new ATOM 1736 N GLU B 636 2.159 -12.933 3.276 1.00 0.00 N ATOM 1737 CA GLU B 636 1.241 -14.057 3.134 1.00 0.00 C ATOM 1738 C GLU B 636 1.343 -14.668 1.739 1.00 0.00 C ATOM 1739 O GLU B 636 1.256 -15.885 1.576 1.00 0.00 O ATOM 1740 CB GLU B 636 -0.197 -13.608 3.401 1.00 0.00 C ATOM 1741 CG GLU B 636 -0.631 -13.788 4.846 1.00 0.00 C ATOM 1742 CD GLU B 636 -0.798 -15.247 5.228 1.00 0.00 C ATOM 1743 OE1 GLU B 636 -1.798 -15.861 4.801 1.00 0.00 O ATOM 1744 OE2 GLU B 636 0.072 -15.773 5.953 1.00 0.00 O ATOM 0 H GLU B 636 1.703 -12.031 3.416 1.00 0.00 H new ATOM 0 HA GLU B 636 1.519 -14.815 3.867 1.00 0.00 H new ATOM 0 HB2 GLU B 636 -0.298 -12.558 3.128 1.00 0.00 H new ATOM 0 HB3 GLU B 636 -0.871 -14.171 2.755 1.00 0.00 H new ATOM 0 HG2 GLU B 636 0.106 -13.326 5.503 1.00 0.00 H new ATOM 0 HG3 GLU B 636 -1.573 -13.264 5.006 1.00 0.00 H new ATOM 1749 N GLN B 637 1.529 -13.815 0.737 1.00 0.00 N ATOM 1750 CA GLN B 637 1.641 -14.270 -0.644 1.00 0.00 C ATOM 1751 C GLN B 637 2.911 -15.089 -0.844 1.00 0.00 C ATOM 1752 O GLN B 637 2.897 -16.121 -1.516 1.00 0.00 O ATOM 1753 CB GLN B 637 1.633 -13.076 -1.599 1.00 0.00 C ATOM 1754 CG GLN B 637 1.942 -13.448 -3.041 1.00 0.00 C ATOM 1755 CD GLN B 637 3.218 -12.808 -3.548 1.00 0.00 C ATOM 1756 OE1 GLN B 637 4.261 -12.833 -2.725 1.00 0.00 O flip ATOM 1757 NE2 GLN B 637 3.267 -12.296 -4.667 1.00 0.00 N flip ATOM 0 H GLN B 637 1.605 -12.805 0.856 1.00 0.00 H new ATOM 0 HA GLN B 637 0.783 -14.905 -0.862 1.00 0.00 H new ATOM 0 HB2 GLN B 637 0.656 -12.595 -1.558 1.00 0.00 H new ATOM 0 HB3 GLN B 637 2.364 -12.343 -1.257 1.00 0.00 H new ATOM 0 HG2 GLN B 637 2.026 -14.532 -3.123 1.00 0.00 H new ATOM 0 HG3 GLN B 637 1.110 -13.144 -3.677 1.00 0.00 H new ATOM 0 HE21 GLN B 637 2.441 -12.299 -5.266 1.00 0.00 H new ATOM 0 HE22 GLN B 637 4.133 -11.869 -4.995 1.00 0.00 H new ATOM 1764 N ALA B 638 4.009 -14.623 -0.258 1.00 0.00 N ATOM 1765 CA ALA B 638 5.288 -15.313 -0.372 1.00 0.00 C ATOM 1766 C ALA B 638 5.227 -16.692 0.276 1.00 0.00 C ATOM 1767 O ALA B 638 5.931 -17.614 -0.137 1.00 0.00 O ATOM 1768 CB ALA B 638 6.394 -14.481 0.259 1.00 0.00 C ATOM 0 H ALA B 638 4.038 -13.770 0.301 1.00 0.00 H new ATOM 0 HA ALA B 638 5.508 -15.447 -1.431 1.00 0.00 H new ATOM 0 HB1 ALA B 638 7.344 -15.008 0.167 1.00 0.00 H new ATOM 0 HB2 ALA B 638 6.462 -13.520 -0.250 1.00 0.00 H new ATOM 0 HB3 ALA B 638 6.170 -14.318 1.313 1.00 0.00 H new ATOM 1774 N ALA B 639 4.382 -16.827 1.292 1.00 0.00 N ATOM 1775 CA ALA B 639 4.228 -18.094 1.996 1.00 0.00 C ATOM 1776 C ALA B 639 3.404 -19.081 1.174 1.00 0.00 C ATOM 1777 O ALA B 639 3.521 -20.295 1.344 1.00 0.00 O ATOM 1778 CB ALA B 639 3.584 -17.869 3.355 1.00 0.00 C ATOM 0 H ALA B 639 3.793 -16.074 1.647 1.00 0.00 H new ATOM 0 HA ALA B 639 5.219 -18.522 2.144 1.00 0.00 H new ATOM 0 HB1 ALA B 639 3.476 -18.824 3.869 1.00 0.00 H new ATOM 0 HB2 ALA B 639 4.212 -17.206 3.950 1.00 0.00 H new ATOM 0 HB3 ALA B 639 2.602 -17.415 3.222 1.00 0.00 H new ATOM 1784 N LEU B 640 2.570 -18.553 0.286 1.00 0.00 N ATOM 1785 CA LEU B 640 1.726 -19.388 -0.561 1.00 0.00 C ATOM 1786 C LEU B 640 2.123 -19.254 -2.027 1.00 0.00 C ATOM 1787 O LEU B 640 1.269 -19.229 -2.913 1.00 0.00 O ATOM 1788 CB LEU B 640 0.255 -19.005 -0.383 1.00 0.00 C ATOM 1789 CG LEU B 640 -0.223 -18.829 1.057 1.00 0.00 C ATOM 1790 CD1 LEU B 640 -1.506 -18.012 1.099 1.00 0.00 C ATOM 1791 CD2 LEU B 640 -0.431 -20.183 1.720 1.00 0.00 C ATOM 0 H LEU B 640 2.460 -17.550 0.134 1.00 0.00 H new ATOM 0 HA LEU B 640 1.865 -20.426 -0.260 1.00 0.00 H new ATOM 0 HB2 LEU B 640 0.075 -18.074 -0.921 1.00 0.00 H new ATOM 0 HB3 LEU B 640 -0.359 -19.771 -0.857 1.00 0.00 H new ATOM 0 HG LEU B 640 0.546 -18.289 1.610 1.00 0.00 H new ATOM 0 HD11 LEU B 640 -1.831 -17.897 2.133 1.00 0.00 H new ATOM 0 HD12 LEU B 640 -1.326 -17.029 0.664 1.00 0.00 H new ATOM 0 HD13 LEU B 640 -2.282 -18.524 0.530 1.00 0.00 H new ATOM 0 HD21 LEU B 640 -0.771 -20.038 2.745 1.00 0.00 H new ATOM 0 HD22 LEU B 640 -1.180 -20.748 1.166 1.00 0.00 H new ATOM 0 HD23 LEU B 640 0.509 -20.734 1.725 1.00 0.00 H new ATOM 1802 N GLN B 641 3.427 -19.171 -2.276 1.00 0.00 N ATOM 1803 CA GLN B 641 3.938 -19.042 -3.636 1.00 0.00 C ATOM 1804 C GLN B 641 3.596 -20.274 -4.465 1.00 0.00 C ATOM 1805 O GLN B 641 3.026 -20.166 -5.551 1.00 0.00 O ATOM 1806 CB GLN B 641 5.453 -18.829 -3.615 1.00 0.00 C ATOM 1807 CG GLN B 641 5.871 -17.489 -3.033 1.00 0.00 C ATOM 1808 CD GLN B 641 5.919 -16.389 -4.075 1.00 0.00 C ATOM 1809 OE1 GLN B 641 4.828 -15.641 -4.196 1.00 0.00 O flip ATOM 1810 NE2 GLN B 641 6.923 -16.214 -4.765 1.00 0.00 N flip ATOM 0 H GLN B 641 4.148 -19.191 -1.554 1.00 0.00 H new ATOM 0 HA GLN B 641 3.463 -18.175 -4.096 1.00 0.00 H new ATOM 0 HB2 GLN B 641 5.916 -19.628 -3.035 1.00 0.00 H new ATOM 0 HB3 GLN B 641 5.837 -18.910 -4.632 1.00 0.00 H new ATOM 0 HG2 GLN B 641 5.174 -17.207 -2.244 1.00 0.00 H new ATOM 0 HG3 GLN B 641 6.853 -17.589 -2.570 1.00 0.00 H new ATOM 0 HE21 GLN B 641 7.739 -16.812 -4.639 1.00 0.00 H new ATOM 0 HE22 GLN B 641 6.939 -15.471 -5.463 1.00 0.00 H new ATOM 1817 N SER B 642 3.949 -21.446 -3.946 1.00 0.00 N ATOM 1818 CA SER B 642 3.683 -22.701 -4.642 1.00 0.00 C ATOM 1819 C SER B 642 2.200 -22.837 -4.969 1.00 0.00 C ATOM 1820 O SER B 642 1.822 -23.522 -5.919 1.00 0.00 O ATOM 1821 CB SER B 642 4.140 -23.887 -3.789 1.00 0.00 C ATOM 1822 OG SER B 642 3.280 -24.078 -2.680 1.00 0.00 O ATOM 0 H SER B 642 4.419 -21.553 -3.047 1.00 0.00 H new ATOM 0 HA SER B 642 4.244 -22.696 -5.577 1.00 0.00 H new ATOM 0 HB2 SER B 642 4.160 -24.791 -4.398 1.00 0.00 H new ATOM 0 HB3 SER B 642 5.158 -23.716 -3.439 1.00 0.00 H new ATOM 0 HG SER B 642 3.592 -24.842 -2.152 1.00 0.00 H new ATOM 1827 N ALA B 643 1.362 -22.178 -4.175 1.00 0.00 N ATOM 1828 CA ALA B 643 -0.081 -22.223 -4.381 1.00 0.00 C ATOM 1829 C ALA B 643 -0.490 -21.379 -5.583 1.00 0.00 C ATOM 1830 O ALA B 643 -1.465 -21.689 -6.267 1.00 0.00 O ATOM 1831 CB ALA B 643 -0.807 -21.751 -3.130 1.00 0.00 C ATOM 0 H ALA B 643 1.657 -21.607 -3.383 1.00 0.00 H new ATOM 0 HA ALA B 643 -0.363 -23.256 -4.583 1.00 0.00 H new ATOM 0 HB1 ALA B 643 -1.883 -21.790 -3.298 1.00 0.00 H new ATOM 0 HB2 ALA B 643 -0.547 -22.398 -2.292 1.00 0.00 H new ATOM 0 HB3 ALA B 643 -0.512 -20.727 -2.903 1.00 0.00 H new ATOM 1837 N TRP B 644 0.259 -20.310 -5.832 1.00 0.00 N ATOM 1838 CA TRP B 644 -0.028 -19.422 -6.952 1.00 0.00 C ATOM 1839 C TRP B 644 -0.145 -20.206 -8.254 1.00 0.00 C ATOM 1840 O TRP B 644 0.572 -21.182 -8.466 1.00 0.00 O ATOM 1841 CB TRP B 644 1.066 -18.360 -7.079 1.00 0.00 C ATOM 1842 CG TRP B 644 0.632 -17.149 -7.848 1.00 0.00 C ATOM 1843 CD1 TRP B 644 0.615 -17.001 -9.205 1.00 0.00 C ATOM 1844 CD2 TRP B 644 0.154 -15.913 -7.303 1.00 0.00 C ATOM 1845 NE1 TRP B 644 0.155 -15.750 -9.537 1.00 0.00 N ATOM 1846 CE2 TRP B 644 -0.136 -15.064 -8.388 1.00 0.00 C ATOM 1847 CE3 TRP B 644 -0.060 -15.444 -6.004 1.00 0.00 C ATOM 1848 CZ2 TRP B 644 -0.625 -13.773 -8.212 1.00 0.00 C ATOM 1849 CZ3 TRP B 644 -0.546 -14.162 -5.831 1.00 0.00 C ATOM 1850 CH2 TRP B 644 -0.825 -13.339 -6.930 1.00 0.00 C ATOM 0 H TRP B 644 1.068 -20.038 -5.274 1.00 0.00 H new ATOM 0 HA TRP B 644 -0.982 -18.932 -6.759 1.00 0.00 H new ATOM 0 HB2 TRP B 644 1.383 -18.054 -6.082 1.00 0.00 H new ATOM 0 HB3 TRP B 644 1.935 -18.800 -7.568 1.00 0.00 H new ATOM 0 HD1 TRP B 644 0.919 -17.757 -9.914 1.00 0.00 H new ATOM 0 HE1 TRP B 644 0.048 -15.390 -10.485 1.00 0.00 H new ATOM 0 HE3 TRP B 644 0.151 -16.072 -5.151 1.00 0.00 H new ATOM 0 HZ2 TRP B 644 -0.839 -13.136 -9.058 1.00 0.00 H new ATOM 0 HZ3 TRP B 644 -0.714 -13.788 -4.832 1.00 0.00 H new ATOM 0 HH2 TRP B 644 -1.205 -12.342 -6.762 1.00 0.00 H new ATOM 1860 N GLN B 645 -1.054 -19.771 -9.121 1.00 0.00 N ATOM 1861 CA GLN B 645 -1.264 -20.434 -10.402 1.00 0.00 C ATOM 1862 C GLN B 645 -0.371 -19.832 -11.481 1.00 0.00 C ATOM 1863 O GLN B 645 0.554 -20.478 -11.969 1.00 0.00 O ATOM 1864 CB GLN B 645 -2.732 -20.328 -10.821 1.00 0.00 C ATOM 1865 CG GLN B 645 -3.703 -20.838 -9.768 1.00 0.00 C ATOM 1866 CD GLN B 645 -3.792 -22.352 -9.740 1.00 0.00 C ATOM 1867 OE1 GLN B 645 -4.379 -22.967 -10.631 1.00 0.00 O ATOM 1868 NE2 GLN B 645 -3.209 -22.961 -8.714 1.00 0.00 N ATOM 0 H GLN B 645 -1.656 -18.963 -8.960 1.00 0.00 H new ATOM 0 HA GLN B 645 -1.002 -21.485 -10.284 1.00 0.00 H new ATOM 0 HB2 GLN B 645 -2.964 -19.286 -11.043 1.00 0.00 H new ATOM 0 HB3 GLN B 645 -2.880 -20.891 -11.743 1.00 0.00 H new ATOM 0 HG2 GLN B 645 -3.392 -20.478 -8.787 1.00 0.00 H new ATOM 0 HG3 GLN B 645 -4.692 -20.423 -9.960 1.00 0.00 H new ATOM 0 HE21 GLN B 645 -2.733 -22.412 -7.998 1.00 0.00 H new ATOM 0 HE22 GLN B 645 -3.237 -23.978 -8.642 1.00 0.00 H new ATOM 1875 N GLY B 646 -0.656 -18.586 -11.851 1.00 0.00 N ATOM 1876 CA GLY B 646 0.130 -17.917 -12.870 1.00 0.00 C ATOM 1877 C GLY B 646 -0.582 -17.860 -14.207 1.00 0.00 C ATOM 1878 O GLY B 646 -0.325 -16.969 -15.018 1.00 0.00 O ATOM 0 H GLY B 646 -1.417 -18.029 -11.463 1.00 0.00 H new ATOM 0 HA2 GLY B 646 0.359 -16.904 -12.541 1.00 0.00 H new ATOM 0 HA3 GLY B 646 1.081 -18.436 -12.990 1.00 0.00 H new ATOM 1882 N ASP B 647 -1.477 -18.813 -14.440 1.00 0.00 N ATOM 1883 CA ASP B 647 -2.227 -18.868 -15.688 1.00 0.00 C ATOM 1884 C ASP B 647 -3.596 -18.212 -15.530 1.00 0.00 C ATOM 1885 O ASP B 647 -4.543 -18.546 -16.243 1.00 0.00 O ATOM 1886 CB ASP B 647 -2.394 -20.319 -16.145 1.00 0.00 C ATOM 1887 CG ASP B 647 -1.074 -20.958 -16.532 1.00 0.00 C ATOM 1888 OD1 ASP B 647 -0.465 -20.506 -17.524 1.00 0.00 O ATOM 1889 OD2 ASP B 647 -0.652 -21.911 -15.843 1.00 0.00 O ATOM 0 H ASP B 647 -1.701 -19.558 -13.780 1.00 0.00 H new ATOM 0 HA ASP B 647 -1.666 -18.319 -16.444 1.00 0.00 H new ATOM 0 HB2 ASP B 647 -2.854 -20.899 -15.345 1.00 0.00 H new ATOM 0 HB3 ASP B 647 -3.075 -20.353 -16.996 1.00 0.00 H new ATOM 1893 N THR B 648 -3.693 -17.278 -14.588 1.00 0.00 N ATOM 1894 CA THR B 648 -4.946 -16.577 -14.334 1.00 0.00 C ATOM 1895 C THR B 648 -4.791 -15.076 -14.555 1.00 0.00 C ATOM 1896 O THR B 648 -5.737 -14.395 -14.948 1.00 0.00 O ATOM 1897 CB THR B 648 -5.446 -16.824 -12.899 1.00 0.00 C ATOM 1898 OG1 THR B 648 -4.431 -16.460 -11.956 1.00 0.00 O ATOM 1899 CG2 THR B 648 -5.827 -18.284 -12.703 1.00 0.00 C ATOM 0 H THR B 648 -2.919 -16.990 -13.989 1.00 0.00 H new ATOM 0 HA THR B 648 -5.678 -16.971 -15.039 1.00 0.00 H new ATOM 0 HB THR B 648 -6.330 -16.208 -12.735 1.00 0.00 H new ATOM 0 HG1 THR B 648 -4.778 -15.770 -11.352 1.00 0.00 H new ATOM 0 HG21 THR B 648 -6.177 -18.435 -11.682 1.00 0.00 H new ATOM 0 HG22 THR B 648 -6.620 -18.550 -13.402 1.00 0.00 H new ATOM 0 HG23 THR B 648 -4.957 -18.915 -12.885 1.00 0.00 H new ATOM 1907 N GLY B 649 -3.589 -14.567 -14.300 1.00 0.00 N ATOM 1908 CA GLY B 649 -3.331 -13.149 -14.477 1.00 0.00 C ATOM 1909 C GLY B 649 -1.969 -12.738 -13.958 1.00 0.00 C ATOM 1910 O GLY B 649 -0.943 -13.093 -14.540 1.00 0.00 O ATOM 0 H GLY B 649 -2.790 -15.111 -13.974 1.00 0.00 H new ATOM 0 HA2 GLY B 649 -3.403 -12.899 -15.536 1.00 0.00 H new ATOM 0 HA3 GLY B 649 -4.101 -12.576 -13.961 1.00 0.00 H new ATOM 1914 N ILE B 650 -1.956 -11.986 -12.862 1.00 0.00 N ATOM 1915 CA ILE B 650 -0.708 -11.527 -12.266 1.00 0.00 C ATOM 1916 C ILE B 650 0.130 -12.699 -11.772 1.00 0.00 C ATOM 1917 O ILE B 650 -0.402 -13.693 -11.276 1.00 0.00 O ATOM 1918 CB ILE B 650 -0.967 -10.564 -11.092 1.00 0.00 C ATOM 1919 CG1 ILE B 650 -1.768 -9.350 -11.566 1.00 0.00 C ATOM 1920 CG2 ILE B 650 0.349 -10.127 -10.466 1.00 0.00 C ATOM 1921 CD1 ILE B 650 -2.044 -8.343 -10.471 1.00 0.00 C ATOM 0 H ILE B 650 -2.796 -11.682 -12.369 1.00 0.00 H new ATOM 0 HA ILE B 650 -0.161 -10.998 -13.047 1.00 0.00 H new ATOM 0 HB ILE B 650 -1.551 -11.087 -10.335 1.00 0.00 H new ATOM 0 HG12 ILE B 650 -1.224 -8.858 -12.372 1.00 0.00 H new ATOM 0 HG13 ILE B 650 -2.716 -9.690 -11.983 1.00 0.00 H new ATOM 0 HG21 ILE B 650 0.150 -9.447 -9.638 1.00 0.00 H new ATOM 0 HG22 ILE B 650 0.884 -11.002 -10.096 1.00 0.00 H new ATOM 0 HG23 ILE B 650 0.957 -9.619 -11.215 1.00 0.00 H new ATOM 0 HD11 ILE B 650 -2.616 -7.509 -10.879 1.00 0.00 H new ATOM 0 HD12 ILE B 650 -2.615 -8.819 -9.674 1.00 0.00 H new ATOM 0 HD13 ILE B 650 -1.100 -7.974 -10.070 1.00 0.00 H new ATOM 1932 N THR B 651 1.447 -12.578 -11.908 1.00 0.00 N ATOM 1933 CA THR B 651 2.360 -13.629 -11.475 1.00 0.00 C ATOM 1934 C THR B 651 2.919 -13.333 -10.088 1.00 0.00 C ATOM 1935 O THR B 651 2.721 -12.245 -9.546 1.00 0.00 O ATOM 1936 CB THR B 651 3.531 -13.797 -12.463 1.00 0.00 C ATOM 1937 OG1 THR B 651 3.265 -13.068 -13.666 1.00 0.00 O ATOM 1938 CG2 THR B 651 3.754 -15.266 -12.791 1.00 0.00 C ATOM 0 H THR B 651 1.905 -11.763 -12.315 1.00 0.00 H new ATOM 0 HA THR B 651 1.785 -14.555 -11.443 1.00 0.00 H new ATOM 0 HB THR B 651 4.434 -13.405 -11.994 1.00 0.00 H new ATOM 0 HG1 THR B 651 4.014 -13.178 -14.288 1.00 0.00 H new ATOM 0 HG21 THR B 651 4.585 -15.361 -13.490 1.00 0.00 H new ATOM 0 HG22 THR B 651 3.985 -15.812 -11.876 1.00 0.00 H new ATOM 0 HG23 THR B 651 2.852 -15.679 -13.242 1.00 0.00 H new ATOM 1946 N TYR B 652 3.619 -14.307 -9.518 1.00 0.00 N ATOM 1947 CA TYR B 652 4.205 -14.152 -8.192 1.00 0.00 C ATOM 1948 C TYR B 652 5.268 -13.057 -8.190 1.00 0.00 C ATOM 1949 O TYR B 652 5.379 -12.287 -7.237 1.00 0.00 O ATOM 1950 CB TYR B 652 4.818 -15.474 -7.724 1.00 0.00 C ATOM 1951 CG TYR B 652 5.947 -15.962 -8.605 1.00 0.00 C ATOM 1952 CD1 TYR B 652 5.692 -16.764 -9.711 1.00 0.00 C ATOM 1953 CD2 TYR B 652 7.266 -15.625 -8.330 1.00 0.00 C ATOM 1954 CE1 TYR B 652 6.719 -17.214 -10.517 1.00 0.00 C ATOM 1955 CE2 TYR B 652 8.299 -16.070 -9.131 1.00 0.00 C ATOM 1956 CZ TYR B 652 8.021 -16.864 -10.224 1.00 0.00 C ATOM 1957 OH TYR B 652 9.048 -17.310 -11.024 1.00 0.00 O ATOM 0 H TYR B 652 3.795 -15.213 -9.953 1.00 0.00 H new ATOM 0 HA TYR B 652 3.411 -13.863 -7.504 1.00 0.00 H new ATOM 0 HB2 TYR B 652 5.189 -15.353 -6.706 1.00 0.00 H new ATOM 0 HB3 TYR B 652 4.038 -16.235 -7.691 1.00 0.00 H new ATOM 0 HD1 TYR B 652 4.674 -17.040 -9.944 1.00 0.00 H new ATOM 0 HD2 TYR B 652 7.488 -15.004 -7.475 1.00 0.00 H new ATOM 0 HE1 TYR B 652 6.504 -17.837 -11.373 1.00 0.00 H new ATOM 0 HE2 TYR B 652 9.319 -15.798 -8.903 1.00 0.00 H new ATOM 0 HH TYR B 652 9.901 -16.973 -10.680 1.00 0.00 H new ATOM 1966 N GLN B 653 6.046 -12.995 -9.267 1.00 0.00 N ATOM 1967 CA GLN B 653 7.100 -11.995 -9.391 1.00 0.00 C ATOM 1968 C GLN B 653 6.511 -10.616 -9.666 1.00 0.00 C ATOM 1969 O GLN B 653 6.949 -9.619 -9.093 1.00 0.00 O ATOM 1970 CB GLN B 653 8.070 -12.381 -10.509 1.00 0.00 C ATOM 1971 CG GLN B 653 7.397 -12.575 -11.858 1.00 0.00 C ATOM 1972 CD GLN B 653 7.496 -11.348 -12.741 1.00 0.00 C ATOM 1973 OE1 GLN B 653 8.455 -10.581 -12.652 1.00 0.00 O ATOM 1974 NE2 GLN B 653 6.503 -11.155 -13.602 1.00 0.00 N ATOM 0 H GLN B 653 5.966 -13.625 -10.065 1.00 0.00 H new ATOM 0 HA GLN B 653 7.643 -11.957 -8.447 1.00 0.00 H new ATOM 0 HB2 GLN B 653 8.832 -11.607 -10.601 1.00 0.00 H new ATOM 0 HB3 GLN B 653 8.582 -13.302 -10.232 1.00 0.00 H new ATOM 0 HG2 GLN B 653 7.853 -13.423 -12.369 1.00 0.00 H new ATOM 0 HG3 GLN B 653 6.347 -12.823 -11.704 1.00 0.00 H new ATOM 0 HE21 GLN B 653 5.727 -11.816 -13.642 1.00 0.00 H new ATOM 0 HE22 GLN B 653 6.516 -10.346 -14.223 1.00 0.00 H new ATOM 1981 N ALA B 654 5.517 -10.568 -10.547 1.00 0.00 N ATOM 1982 CA ALA B 654 4.868 -9.309 -10.897 1.00 0.00 C ATOM 1983 C ALA B 654 4.087 -8.748 -9.715 1.00 0.00 C ATOM 1984 O ALA B 654 4.207 -7.568 -9.383 1.00 0.00 O ATOM 1985 CB ALA B 654 3.950 -9.505 -12.095 1.00 0.00 C ATOM 0 H ALA B 654 5.144 -11.385 -11.031 1.00 0.00 H new ATOM 0 HA ALA B 654 5.643 -8.589 -11.161 1.00 0.00 H new ATOM 0 HB1 ALA B 654 3.472 -8.558 -12.346 1.00 0.00 H new ATOM 0 HB2 ALA B 654 4.533 -9.854 -12.947 1.00 0.00 H new ATOM 0 HB3 ALA B 654 3.186 -10.244 -11.851 1.00 0.00 H new ATOM 1991 N TRP B 655 3.285 -9.598 -9.083 1.00 0.00 N ATOM 1992 CA TRP B 655 2.484 -9.185 -7.937 1.00 0.00 C ATOM 1993 C TRP B 655 3.357 -8.551 -6.861 1.00 0.00 C ATOM 1994 O TRP B 655 3.050 -7.472 -6.358 1.00 0.00 O ATOM 1995 CB TRP B 655 1.729 -10.383 -7.359 1.00 0.00 C ATOM 1996 CG TRP B 655 0.675 -9.999 -6.365 1.00 0.00 C ATOM 1997 CD1 TRP B 655 -0.655 -9.815 -6.612 1.00 0.00 C ATOM 1998 CD2 TRP B 655 0.865 -9.747 -4.968 1.00 0.00 C ATOM 1999 NE1 TRP B 655 -1.304 -9.466 -5.452 1.00 0.00 N ATOM 2000 CE2 TRP B 655 -0.394 -9.418 -4.429 1.00 0.00 C ATOM 2001 CE3 TRP B 655 1.976 -9.770 -4.120 1.00 0.00 C ATOM 2002 CZ2 TRP B 655 -0.570 -9.114 -3.082 1.00 0.00 C ATOM 2003 CZ3 TRP B 655 1.800 -9.468 -2.784 1.00 0.00 C ATOM 2004 CH2 TRP B 655 0.535 -9.144 -2.275 1.00 0.00 C ATOM 0 H TRP B 655 3.172 -10.577 -9.345 1.00 0.00 H new ATOM 0 HA TRP B 655 1.765 -8.441 -8.278 1.00 0.00 H new ATOM 0 HB2 TRP B 655 1.264 -10.938 -8.174 1.00 0.00 H new ATOM 0 HB3 TRP B 655 2.441 -11.056 -6.881 1.00 0.00 H new ATOM 0 HD1 TRP B 655 -1.127 -9.927 -7.577 1.00 0.00 H new ATOM 0 HE1 TRP B 655 -2.302 -9.274 -5.366 1.00 0.00 H new ATOM 0 HE3 TRP B 655 2.955 -10.020 -4.503 1.00 0.00 H new ATOM 0 HZ2 TRP B 655 -1.544 -8.863 -2.688 1.00 0.00 H new ATOM 0 HZ3 TRP B 655 2.652 -9.482 -2.120 1.00 0.00 H new ATOM 0 HH2 TRP B 655 0.430 -8.913 -1.225 1.00 0.00 H new ATOM 2014 N GLN B 656 4.447 -9.229 -6.515 1.00 0.00 N ATOM 2015 CA GLN B 656 5.365 -8.730 -5.497 1.00 0.00 C ATOM 2016 C GLN B 656 5.781 -7.293 -5.798 1.00 0.00 C ATOM 2017 O GLN B 656 5.807 -6.446 -4.906 1.00 0.00 O ATOM 2018 CB GLN B 656 6.602 -9.626 -5.413 1.00 0.00 C ATOM 2019 CG GLN B 656 6.382 -10.891 -4.602 1.00 0.00 C ATOM 2020 CD GLN B 656 7.417 -11.072 -3.509 1.00 0.00 C ATOM 2021 OE1 GLN B 656 7.128 -10.886 -2.327 1.00 0.00 O ATOM 2022 NE2 GLN B 656 8.633 -11.438 -3.899 1.00 0.00 N ATOM 0 H GLN B 656 4.716 -10.124 -6.924 1.00 0.00 H new ATOM 0 HA GLN B 656 4.849 -8.746 -4.537 1.00 0.00 H new ATOM 0 HB2 GLN B 656 6.911 -9.900 -6.422 1.00 0.00 H new ATOM 0 HB3 GLN B 656 7.422 -9.059 -4.971 1.00 0.00 H new ATOM 0 HG2 GLN B 656 5.388 -10.863 -4.155 1.00 0.00 H new ATOM 0 HG3 GLN B 656 6.408 -11.754 -5.268 1.00 0.00 H new ATOM 0 HE21 GLN B 656 8.829 -11.581 -4.890 1.00 0.00 H new ATOM 0 HE22 GLN B 656 9.370 -11.576 -3.208 1.00 0.00 H new ATOM 2029 N ALA B 657 6.108 -7.028 -7.058 1.00 0.00 N ATOM 2030 CA ALA B 657 6.523 -5.695 -7.476 1.00 0.00 C ATOM 2031 C ALA B 657 5.349 -4.721 -7.446 1.00 0.00 C ATOM 2032 O ALA B 657 5.471 -3.604 -6.944 1.00 0.00 O ATOM 2033 CB ALA B 657 7.134 -5.744 -8.868 1.00 0.00 C ATOM 0 H ALA B 657 6.094 -7.719 -7.808 1.00 0.00 H new ATOM 0 HA ALA B 657 7.276 -5.339 -6.773 1.00 0.00 H new ATOM 0 HB1 ALA B 657 7.439 -4.741 -9.167 1.00 0.00 H new ATOM 0 HB2 ALA B 657 8.004 -6.401 -8.861 1.00 0.00 H new ATOM 0 HB3 ALA B 657 6.397 -6.125 -9.575 1.00 0.00 H new ATOM 2039 N GLN B 658 4.214 -5.153 -7.987 1.00 0.00 N ATOM 2040 CA GLN B 658 3.020 -4.317 -8.024 1.00 0.00 C ATOM 2041 C GLN B 658 2.626 -3.868 -6.621 1.00 0.00 C ATOM 2042 O GLN B 658 2.430 -2.679 -6.371 1.00 0.00 O ATOM 2043 CB GLN B 658 1.861 -5.076 -8.673 1.00 0.00 C ATOM 2044 CG GLN B 658 1.912 -5.080 -10.192 1.00 0.00 C ATOM 2045 CD GLN B 658 0.833 -5.947 -10.810 1.00 0.00 C ATOM 2046 OE1 GLN B 658 -0.319 -5.531 -10.933 1.00 0.00 O ATOM 2047 NE2 GLN B 658 1.201 -7.161 -11.204 1.00 0.00 N ATOM 0 H GLN B 658 4.096 -6.076 -8.405 1.00 0.00 H new ATOM 0 HA GLN B 658 3.245 -3.432 -8.619 1.00 0.00 H new ATOM 0 HB2 GLN B 658 1.866 -6.105 -8.315 1.00 0.00 H new ATOM 0 HB3 GLN B 658 0.920 -4.631 -8.350 1.00 0.00 H new ATOM 0 HG2 GLN B 658 1.806 -4.059 -10.558 1.00 0.00 H new ATOM 0 HG3 GLN B 658 2.889 -5.436 -10.518 1.00 0.00 H new ATOM 0 HE21 GLN B 658 2.167 -7.465 -11.083 1.00 0.00 H new ATOM 0 HE22 GLN B 658 0.518 -7.789 -11.627 1.00 0.00 H new ATOM 2054 N TRP B 659 2.513 -4.827 -5.709 1.00 0.00 N ATOM 2055 CA TRP B 659 2.143 -4.530 -4.330 1.00 0.00 C ATOM 2056 C TRP B 659 3.135 -3.561 -3.696 1.00 0.00 C ATOM 2057 O TRP B 659 2.751 -2.509 -3.188 1.00 0.00 O ATOM 2058 CB TRP B 659 2.075 -5.819 -3.509 1.00 0.00 C ATOM 2059 CG TRP B 659 1.500 -5.621 -2.139 1.00 0.00 C ATOM 2060 CD1 TRP B 659 2.186 -5.309 -1.000 1.00 0.00 C ATOM 2061 CD2 TRP B 659 0.122 -5.725 -1.765 1.00 0.00 C ATOM 2062 NE1 TRP B 659 1.317 -5.213 0.060 1.00 0.00 N ATOM 2063 CE2 TRP B 659 0.046 -5.462 -0.382 1.00 0.00 C ATOM 2064 CE3 TRP B 659 -1.054 -6.012 -2.462 1.00 0.00 C ATOM 2065 CZ2 TRP B 659 -1.162 -5.480 0.312 1.00 0.00 C ATOM 2066 CZ3 TRP B 659 -2.251 -6.029 -1.771 1.00 0.00 C ATOM 2067 CH2 TRP B 659 -2.298 -5.764 -0.396 1.00 0.00 C ATOM 0 H TRP B 659 2.672 -5.816 -5.899 1.00 0.00 H new ATOM 0 HA TRP B 659 1.159 -4.060 -4.338 1.00 0.00 H new ATOM 0 HB2 TRP B 659 1.472 -6.552 -4.046 1.00 0.00 H new ATOM 0 HB3 TRP B 659 3.078 -6.236 -3.418 1.00 0.00 H new ATOM 0 HD1 TRP B 659 3.254 -5.160 -0.941 1.00 0.00 H new ATOM 0 HE1 TRP B 659 1.577 -4.992 1.021 1.00 0.00 H new ATOM 0 HE3 TRP B 659 -1.028 -6.217 -3.522 1.00 0.00 H new ATOM 0 HZ2 TRP B 659 -1.200 -5.277 1.372 1.00 0.00 H new ATOM 0 HZ3 TRP B 659 -3.166 -6.250 -2.300 1.00 0.00 H new ATOM 0 HH2 TRP B 659 -3.249 -5.784 0.115 1.00 0.00 H new ATOM 2077 N ASN B 660 4.413 -3.924 -3.729 1.00 0.00 N ATOM 2078 CA ASN B 660 5.461 -3.086 -3.157 1.00 0.00 C ATOM 2079 C ASN B 660 5.365 -1.659 -3.687 1.00 0.00 C ATOM 2080 O ASN B 660 5.327 -0.701 -2.915 1.00 0.00 O ATOM 2081 CB ASN B 660 6.839 -3.669 -3.475 1.00 0.00 C ATOM 2082 CG ASN B 660 7.833 -3.447 -2.351 1.00 0.00 C ATOM 2083 OD1 ASN B 660 7.741 -2.469 -1.609 1.00 0.00 O ATOM 2084 ND2 ASN B 660 8.792 -4.357 -2.221 1.00 0.00 N ATOM 0 H ASN B 660 4.748 -4.793 -4.146 1.00 0.00 H new ATOM 0 HA ASN B 660 5.325 -3.063 -2.076 1.00 0.00 H new ATOM 0 HB2 ASN B 660 6.743 -4.738 -3.666 1.00 0.00 H new ATOM 0 HB3 ASN B 660 7.221 -3.215 -4.389 1.00 0.00 H new ATOM 0 HD21 ASN B 660 9.490 -4.261 -1.484 1.00 0.00 H new ATOM 0 HD22 ASN B 660 8.830 -5.152 -2.859 1.00 0.00 H new ATOM 2090 N GLN B 661 5.326 -1.525 -5.009 1.00 0.00 N ATOM 2091 CA GLN B 661 5.235 -0.214 -5.642 1.00 0.00 C ATOM 2092 C GLN B 661 4.036 0.564 -5.111 1.00 0.00 C ATOM 2093 O GLN B 661 4.153 1.738 -4.757 1.00 0.00 O ATOM 2094 CB GLN B 661 5.129 -0.365 -7.161 1.00 0.00 C ATOM 2095 CG GLN B 661 6.456 -0.676 -7.835 1.00 0.00 C ATOM 2096 CD GLN B 661 6.987 0.491 -8.643 1.00 0.00 C ATOM 2097 OE1 GLN B 661 6.740 0.592 -9.846 1.00 0.00 O ATOM 2098 NE2 GLN B 661 7.721 1.381 -7.987 1.00 0.00 N ATOM 0 H GLN B 661 5.356 -2.308 -5.662 1.00 0.00 H new ATOM 0 HA GLN B 661 6.141 0.342 -5.402 1.00 0.00 H new ATOM 0 HB2 GLN B 661 4.419 -1.160 -7.390 1.00 0.00 H new ATOM 0 HB3 GLN B 661 4.724 0.555 -7.582 1.00 0.00 H new ATOM 0 HG2 GLN B 661 7.189 -0.951 -7.076 1.00 0.00 H new ATOM 0 HG3 GLN B 661 6.334 -1.540 -8.488 1.00 0.00 H new ATOM 0 HE21 GLN B 661 7.901 1.259 -6.990 1.00 0.00 H new ATOM 0 HE22 GLN B 661 8.105 2.188 -8.479 1.00 0.00 H new ATOM 2105 N ALA B 662 2.884 -0.096 -5.058 1.00 0.00 N ATOM 2106 CA ALA B 662 1.664 0.534 -4.569 1.00 0.00 C ATOM 2107 C ALA B 662 1.822 0.986 -3.120 1.00 0.00 C ATOM 2108 O ALA B 662 1.539 2.134 -2.784 1.00 0.00 O ATOM 2109 CB ALA B 662 0.488 -0.421 -4.700 1.00 0.00 C ATOM 0 H ALA B 662 2.770 -1.067 -5.348 1.00 0.00 H new ATOM 0 HA ALA B 662 1.471 1.417 -5.179 1.00 0.00 H new ATOM 0 HB1 ALA B 662 -0.416 0.063 -4.331 1.00 0.00 H new ATOM 0 HB2 ALA B 662 0.354 -0.691 -5.747 1.00 0.00 H new ATOM 0 HB3 ALA B 662 0.683 -1.320 -4.116 1.00 0.00 H new ATOM 2115 N MET B 663 2.276 0.073 -2.268 1.00 0.00 N ATOM 2116 CA MET B 663 2.472 0.378 -0.855 1.00 0.00 C ATOM 2117 C MET B 663 3.305 1.645 -0.683 1.00 0.00 C ATOM 2118 O MET B 663 2.906 2.569 0.025 1.00 0.00 O ATOM 2119 CB MET B 663 3.154 -0.794 -0.146 1.00 0.00 C ATOM 2120 CG MET B 663 3.389 -0.555 1.336 1.00 0.00 C ATOM 2121 SD MET B 663 2.213 -1.442 2.377 1.00 0.00 S ATOM 2122 CE MET B 663 0.661 -0.779 1.775 1.00 0.00 C ATOM 0 H MET B 663 2.515 -0.883 -2.531 1.00 0.00 H new ATOM 0 HA MET B 663 1.492 0.543 -0.406 1.00 0.00 H new ATOM 0 HB2 MET B 663 2.542 -1.688 -0.269 1.00 0.00 H new ATOM 0 HB3 MET B 663 4.110 -0.993 -0.629 1.00 0.00 H new ATOM 0 HG2 MET B 663 4.402 -0.864 1.594 1.00 0.00 H new ATOM 0 HG3 MET B 663 3.319 0.513 1.544 1.00 0.00 H new ATOM 0 HE1 MET B 663 -0.146 -1.078 2.444 1.00 0.00 H new ATOM 0 HE2 MET B 663 0.719 0.309 1.740 1.00 0.00 H new ATOM 0 HE3 MET B 663 0.464 -1.164 0.775 1.00 0.00 H new ATOM 2130 N GLU B 664 4.463 1.680 -1.336 1.00 0.00 N ATOM 2131 CA GLU B 664 5.352 2.833 -1.253 1.00 0.00 C ATOM 2132 C GLU B 664 4.640 4.102 -1.714 1.00 0.00 C ATOM 2133 O GLU B 664 4.904 5.193 -1.208 1.00 0.00 O ATOM 2134 CB GLU B 664 6.605 2.601 -2.099 1.00 0.00 C ATOM 2135 CG GLU B 664 7.482 3.833 -2.238 1.00 0.00 C ATOM 2136 CD GLU B 664 8.933 3.487 -2.514 1.00 0.00 C ATOM 2137 OE1 GLU B 664 9.648 3.117 -1.559 1.00 0.00 O ATOM 2138 OE2 GLU B 664 9.354 3.588 -3.685 1.00 0.00 O ATOM 0 H GLU B 664 4.807 0.924 -1.928 1.00 0.00 H new ATOM 0 HA GLU B 664 5.646 2.960 -0.211 1.00 0.00 H new ATOM 0 HB2 GLU B 664 7.191 1.797 -1.653 1.00 0.00 H new ATOM 0 HB3 GLU B 664 6.306 2.265 -3.092 1.00 0.00 H new ATOM 0 HG2 GLU B 664 7.101 4.457 -3.047 1.00 0.00 H new ATOM 0 HG3 GLU B 664 7.420 4.423 -1.324 1.00 0.00 H new ATOM 2143 N ASP B 665 3.740 3.950 -2.679 1.00 0.00 N ATOM 2144 CA ASP B 665 2.989 5.083 -3.209 1.00 0.00 C ATOM 2145 C ASP B 665 1.976 5.590 -2.187 1.00 0.00 C ATOM 2146 O ASP B 665 1.713 6.790 -2.102 1.00 0.00 O ATOM 2147 CB ASP B 665 2.274 4.688 -4.502 1.00 0.00 C ATOM 2148 CG ASP B 665 1.886 5.891 -5.340 1.00 0.00 C ATOM 2149 OD1 ASP B 665 1.859 7.012 -4.791 1.00 0.00 O ATOM 2150 OD2 ASP B 665 1.608 5.710 -6.544 1.00 0.00 O ATOM 0 H ASP B 665 3.512 3.054 -3.110 1.00 0.00 H new ATOM 0 HA ASP B 665 3.694 5.886 -3.424 1.00 0.00 H new ATOM 0 HB2 ASP B 665 2.922 4.035 -5.087 1.00 0.00 H new ATOM 0 HB3 ASP B 665 1.379 4.115 -4.259 1.00 0.00 H new ATOM 2154 N LEU B 666 1.410 4.669 -1.415 1.00 0.00 N ATOM 2155 CA LEU B 666 0.425 5.023 -0.400 1.00 0.00 C ATOM 2156 C LEU B 666 1.084 5.750 0.768 1.00 0.00 C ATOM 2157 O LEU B 666 0.690 6.862 1.122 1.00 0.00 O ATOM 2158 CB LEU B 666 -0.290 3.767 0.105 1.00 0.00 C ATOM 2159 CG LEU B 666 -0.952 2.898 -0.964 1.00 0.00 C ATOM 2160 CD1 LEU B 666 -0.934 1.435 -0.546 1.00 0.00 C ATOM 2161 CD2 LEU B 666 -2.377 3.364 -1.224 1.00 0.00 C ATOM 0 H LEU B 666 1.616 3.672 -1.473 1.00 0.00 H new ATOM 0 HA LEU B 666 -0.305 5.692 -0.855 1.00 0.00 H new ATOM 0 HB2 LEU B 666 0.431 3.155 0.647 1.00 0.00 H new ATOM 0 HB3 LEU B 666 -1.053 4.071 0.822 1.00 0.00 H new ATOM 0 HG LEU B 666 -0.385 2.998 -1.890 1.00 0.00 H new ATOM 0 HD11 LEU B 666 -1.409 0.830 -1.318 1.00 0.00 H new ATOM 0 HD12 LEU B 666 0.097 1.108 -0.412 1.00 0.00 H new ATOM 0 HD13 LEU B 666 -1.477 1.318 0.392 1.00 0.00 H new ATOM 0 HD21 LEU B 666 -2.832 2.734 -1.988 1.00 0.00 H new ATOM 0 HD22 LEU B 666 -2.956 3.294 -0.303 1.00 0.00 H new ATOM 0 HD23 LEU B 666 -2.365 4.398 -1.567 1.00 0.00 H new ATOM 2172 N VAL B 667 2.091 5.117 1.361 1.00 0.00 N ATOM 2173 CA VAL B 667 2.807 5.705 2.487 1.00 0.00 C ATOM 2174 C VAL B 667 3.303 7.107 2.151 1.00 0.00 C ATOM 2175 O VAL B 667 3.173 8.031 2.953 1.00 0.00 O ATOM 2176 CB VAL B 667 4.007 4.835 2.905 1.00 0.00 C ATOM 2177 CG1 VAL B 667 3.531 3.545 3.557 1.00 0.00 C ATOM 2178 CG2 VAL B 667 4.893 4.538 1.704 1.00 0.00 C ATOM 0 H VAL B 667 2.430 4.197 1.080 1.00 0.00 H new ATOM 0 HA VAL B 667 2.102 5.761 3.316 1.00 0.00 H new ATOM 0 HB VAL B 667 4.597 5.388 3.636 1.00 0.00 H new ATOM 0 HG11 VAL B 667 4.393 2.944 3.845 1.00 0.00 H new ATOM 0 HG12 VAL B 667 2.941 3.781 4.442 1.00 0.00 H new ATOM 0 HG13 VAL B 667 2.918 2.985 2.851 1.00 0.00 H new ATOM 0 HG21 VAL B 667 5.736 3.922 2.017 1.00 0.00 H new ATOM 0 HG22 VAL B 667 4.315 4.005 0.949 1.00 0.00 H new ATOM 0 HG23 VAL B 667 5.263 5.474 1.285 1.00 0.00 H new ATOM 2188 N ARG B 668 3.870 7.258 0.959 1.00 0.00 N ATOM 2189 CA ARG B 668 4.386 8.548 0.516 1.00 0.00 C ATOM 2190 C ARG B 668 3.246 9.517 0.217 1.00 0.00 C ATOM 2191 O ARG B 668 3.379 10.725 0.405 1.00 0.00 O ATOM 2192 CB ARG B 668 5.259 8.372 -0.727 1.00 0.00 C ATOM 2193 CG ARG B 668 4.467 8.098 -1.995 1.00 0.00 C ATOM 2194 CD ARG B 668 5.373 8.023 -3.214 1.00 0.00 C ATOM 2195 NE ARG B 668 4.766 8.650 -4.386 1.00 0.00 N ATOM 2196 CZ ARG B 668 5.434 8.919 -5.502 1.00 0.00 C ATOM 2197 NH1 ARG B 668 6.721 8.620 -5.597 1.00 0.00 N ATOM 2198 NH2 ARG B 668 4.812 9.491 -6.525 1.00 0.00 N ATOM 0 H ARG B 668 3.984 6.503 0.282 1.00 0.00 H new ATOM 0 HA ARG B 668 4.991 8.964 1.321 1.00 0.00 H new ATOM 0 HB2 ARG B 668 5.858 9.272 -0.870 1.00 0.00 H new ATOM 0 HB3 ARG B 668 5.954 7.550 -0.559 1.00 0.00 H new ATOM 0 HG2 ARG B 668 3.921 7.161 -1.888 1.00 0.00 H new ATOM 0 HG3 ARG B 668 3.726 8.884 -2.139 1.00 0.00 H new ATOM 0 HD2 ARG B 668 6.321 8.512 -2.992 1.00 0.00 H new ATOM 0 HD3 ARG B 668 5.597 6.980 -3.436 1.00 0.00 H new ATOM 0 HE ARG B 668 3.776 8.894 -4.345 1.00 0.00 H new ATOM 0 HH11 ARG B 668 7.202 8.182 -4.812 1.00 0.00 H new ATOM 0 HH12 ARG B 668 7.231 8.828 -6.456 1.00 0.00 H new ATOM 0 HH21 ARG B 668 3.821 9.724 -6.454 1.00 0.00 H new ATOM 0 HH22 ARG B 668 5.324 9.698 -7.382 1.00 0.00 H new ATOM 2209 N ALA B 669 2.125 8.975 -0.250 1.00 0.00 N ATOM 2210 CA ALA B 669 0.960 9.791 -0.573 1.00 0.00 C ATOM 2211 C ALA B 669 0.451 10.533 0.658 1.00 0.00 C ATOM 2212 O ALA B 669 -0.143 11.606 0.546 1.00 0.00 O ATOM 2213 CB ALA B 669 -0.142 8.926 -1.164 1.00 0.00 C ATOM 0 H ALA B 669 1.999 7.976 -0.413 1.00 0.00 H new ATOM 0 HA ALA B 669 1.260 10.533 -1.313 1.00 0.00 H new ATOM 0 HB1 ALA B 669 -1.005 9.548 -1.400 1.00 0.00 H new ATOM 0 HB2 ALA B 669 0.220 8.447 -2.074 1.00 0.00 H new ATOM 0 HB3 ALA B 669 -0.432 8.162 -0.442 1.00 0.00 H new ATOM 2219 N TYR B 670 0.685 9.955 1.831 1.00 0.00 N ATOM 2220 CA TYR B 670 0.247 10.561 3.082 1.00 0.00 C ATOM 2221 C TYR B 670 1.275 11.567 3.590 1.00 0.00 C ATOM 2222 O TYR B 670 0.926 12.668 4.015 1.00 0.00 O ATOM 2223 CB TYR B 670 0.008 9.481 4.139 1.00 0.00 C ATOM 2224 CG TYR B 670 -0.449 10.028 5.472 1.00 0.00 C ATOM 2225 CD1 TYR B 670 0.467 10.519 6.394 1.00 0.00 C ATOM 2226 CD2 TYR B 670 -1.796 10.055 5.809 1.00 0.00 C ATOM 2227 CE1 TYR B 670 0.055 11.019 7.615 1.00 0.00 C ATOM 2228 CE2 TYR B 670 -2.218 10.555 7.026 1.00 0.00 C ATOM 2229 CZ TYR B 670 -1.289 11.036 7.925 1.00 0.00 C ATOM 2230 OH TYR B 670 -1.706 11.534 9.138 1.00 0.00 O ATOM 0 H TYR B 670 1.176 9.068 1.941 1.00 0.00 H new ATOM 0 HA TYR B 670 -0.688 11.089 2.893 1.00 0.00 H new ATOM 0 HB2 TYR B 670 -0.740 8.781 3.768 1.00 0.00 H new ATOM 0 HB3 TYR B 670 0.929 8.917 4.284 1.00 0.00 H new ATOM 0 HD1 TYR B 670 1.520 10.510 6.152 1.00 0.00 H new ATOM 0 HD2 TYR B 670 -2.526 9.679 5.108 1.00 0.00 H new ATOM 0 HE1 TYR B 670 0.781 11.394 8.322 1.00 0.00 H new ATOM 0 HE2 TYR B 670 -3.270 10.569 7.272 1.00 0.00 H new ATOM 0 HH TYR B 670 -0.936 11.622 9.738 1.00 0.00 H new ATOM 2239 N HIS B 671 2.546 11.179 3.544 1.00 0.00 N ATOM 2240 CA HIS B 671 3.627 12.047 3.998 1.00 0.00 C ATOM 2241 C HIS B 671 3.783 13.250 3.073 1.00 0.00 C ATOM 2242 O HIS B 671 4.269 14.303 3.485 1.00 0.00 O ATOM 2243 CB HIS B 671 4.940 11.267 4.065 1.00 0.00 C ATOM 2244 CG HIS B 671 6.063 12.038 4.690 1.00 0.00 C ATOM 2245 ND1 HIS B 671 6.486 11.833 5.986 1.00 0.00 N ATOM 2246 CD2 HIS B 671 6.852 13.017 4.189 1.00 0.00 C ATOM 2247 CE1 HIS B 671 7.486 12.654 6.256 1.00 0.00 C ATOM 2248 NE2 HIS B 671 7.727 13.383 5.181 1.00 0.00 N ATOM 0 H HIS B 671 2.852 10.270 3.197 1.00 0.00 H new ATOM 0 HA HIS B 671 3.376 12.408 4.995 1.00 0.00 H new ATOM 0 HB2 HIS B 671 4.780 10.350 4.632 1.00 0.00 H new ATOM 0 HB3 HIS B 671 5.230 10.972 3.057 1.00 0.00 H new ATOM 0 HD2 HIS B 671 6.802 13.433 3.194 1.00 0.00 H new ATOM 0 HE1 HIS B 671 8.016 12.718 7.195 1.00 0.00 H new ATOM 0 HE2 HIS B 671 8.447 14.101 5.101 1.00 0.00 H new ATOM 2255 N ALA B 672 3.367 13.086 1.821 1.00 0.00 N ATOM 2256 CA ALA B 672 3.459 14.159 0.839 1.00 0.00 C ATOM 2257 C ALA B 672 2.473 15.278 1.154 1.00 0.00 C ATOM 2258 O ALA B 672 2.841 16.452 1.185 1.00 0.00 O ATOM 2259 CB ALA B 672 3.215 13.615 -0.561 1.00 0.00 C ATOM 0 H ALA B 672 2.963 12.220 1.463 1.00 0.00 H new ATOM 0 HA ALA B 672 4.465 14.575 0.885 1.00 0.00 H new ATOM 0 HB1 ALA B 672 3.287 14.427 -1.285 1.00 0.00 H new ATOM 0 HB2 ALA B 672 3.963 12.856 -0.792 1.00 0.00 H new ATOM 0 HB3 ALA B 672 2.221 13.171 -0.611 1.00 0.00 H new ATOM 2265 N MET B 673 1.218 14.906 1.386 1.00 0.00 N ATOM 2266 CA MET B 673 0.178 15.881 1.699 1.00 0.00 C ATOM 2267 C MET B 673 0.605 16.778 2.856 1.00 0.00 C ATOM 2268 O MET B 673 0.348 17.981 2.848 1.00 0.00 O ATOM 2269 CB MET B 673 -1.129 15.168 2.046 1.00 0.00 C ATOM 2270 CG MET B 673 -2.220 16.105 2.539 1.00 0.00 C ATOM 2271 SD MET B 673 -2.379 16.103 4.335 1.00 0.00 S ATOM 2272 CE MET B 673 -2.972 14.437 4.620 1.00 0.00 C ATOM 0 H MET B 673 0.897 13.938 1.363 1.00 0.00 H new ATOM 0 HA MET B 673 0.021 16.504 0.819 1.00 0.00 H new ATOM 0 HB2 MET B 673 -1.489 14.637 1.165 1.00 0.00 H new ATOM 0 HB3 MET B 673 -0.932 14.418 2.812 1.00 0.00 H new ATOM 0 HG2 MET B 673 -2.005 17.118 2.198 1.00 0.00 H new ATOM 0 HG3 MET B 673 -3.172 15.814 2.094 1.00 0.00 H new ATOM 0 HE1 MET B 673 -3.556 14.411 5.540 1.00 0.00 H new ATOM 0 HE2 MET B 673 -3.598 14.125 3.784 1.00 0.00 H new ATOM 0 HE3 MET B 673 -2.123 13.759 4.710 1.00 0.00 H new