USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 75 ASN : amide:sc= 1.95 K(o=3.1,f=-1.1) USER MOD Set 1.2: B 648 THR OG1 : rot -86:sc= 1.11 USER MOD Set 2.1: B 637 GLN : amide:sc= -6.8! K(o=-12!,f=-3.9) USER MOD Set 2.2: B 641 GLN : amide:sc= -4.32! C(o=-12!,f=-4.4!) USER MOD Set 2.3: B 656 GLN : amide:sc= -0.425 K(o=-12,f=-4) USER MOD Set 3.1: A 66 ASN : amide:sc= -0.4 X(o=0.19,f=0.52) USER MOD Set 3.2: A 67 THR OG1 : rot 83:sc= 0.586 USER MOD Set 4.1: A 64 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.131) USER MOD Set 4.2: B 658 GLN : amide:sc= -0.76 K(o=-0.76,f=-3.1!) USER MOD Set 5.1: A 25 MET CE :methyl -172:sc= -5.32! (180deg=-5.04!) USER MOD Set 5.2: B 663 MET CE :methyl 154:sc= -1.07 (180deg=-1.09) USER MOD Single : A 21 LYS NZ :NH3+ -113:sc= 0.308 (180deg=-2.85!) USER MOD Single : A 27 HIS : no HD1:sc= -1 K(o=-1,f=-0.44) USER MOD Single : A 28 THR OG1 : rot 77:sc= -0.0456 USER MOD Single : A 31 GLN : amide:sc= -0.0968 X(o=-0.097,f=-0.097) USER MOD Single : A 52 GLN : amide:sc= -0.188 K(o=-0.19,f=-1.4!) USER MOD Single : A 55 HIS : no HD1:sc= -0.855 K(o=-0.85,f=-0.12) USER MOD Single : A 73 GLN : amide:sc= -0.451 K(o=-0.45,f=-2) USER MOD Single : B 622 TYR OH : rot 180:sc= 0 USER MOD Single : B 625 THR OG1 : rot 180:sc= 0 USER MOD Single : B 627 GLN : amide:sc= -7.91! C(o=-7.9!,f=-7.4!) USER MOD Single : B 628 SER OG : rot 77:sc= 0.00554 USER MOD Single : B 642 SER OG : rot 180:sc= 0.0353 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 652 TYR OH : rot 180:sc= 0 USER MOD Single : B 653 GLN : amide:sc= -2.04 K(o=-2,f=-3.8!) USER MOD Single : B 660 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 661 GLN : amide:sc= -0.142 K(o=-0.14,f=-0.97) USER MOD Single : B 670 TYR OH : rot -60:sc= 0.44 USER MOD Single : B 671 HIS : no HD1:sc= -0.271 X(o=-0.27,f=-0.16) USER MOD Single : B 673 MET CE :methyl -162:sc= -0.0149 (180deg=-0.207) USER MOD ----------------------------------------------------------------- ATOM 222 N ALA A 17 -7.531 -16.275 6.472 1.00 0.00 N ATOM 223 CA ALA A 17 -6.901 -15.141 7.137 1.00 0.00 C ATOM 224 C ALA A 17 -6.567 -14.037 6.139 1.00 0.00 C ATOM 225 O ALA A 17 -6.549 -12.856 6.487 1.00 0.00 O ATOM 226 CB ALA A 17 -5.646 -15.589 7.871 1.00 0.00 C ATOM 0 HA ALA A 17 -7.608 -14.738 7.863 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.186 -14.732 8.363 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -5.909 -16.338 8.618 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.942 -16.019 7.159 1.00 0.00 H new ATOM 232 N PHE A 18 -6.300 -14.429 4.896 1.00 0.00 N ATOM 233 CA PHE A 18 -5.965 -13.473 3.848 1.00 0.00 C ATOM 234 C PHE A 18 -7.046 -12.403 3.722 1.00 0.00 C ATOM 235 O PHE A 18 -6.756 -11.208 3.738 1.00 0.00 O ATOM 236 CB PHE A 18 -5.783 -14.192 2.511 1.00 0.00 C ATOM 237 CG PHE A 18 -4.839 -13.492 1.576 1.00 0.00 C ATOM 238 CD1 PHE A 18 -5.297 -12.504 0.721 1.00 0.00 C ATOM 239 CD2 PHE A 18 -3.494 -13.822 1.554 1.00 0.00 C ATOM 240 CE1 PHE A 18 -4.430 -11.858 -0.142 1.00 0.00 C ATOM 241 CE2 PHE A 18 -2.622 -13.179 0.695 1.00 0.00 C ATOM 242 CZ PHE A 18 -3.091 -12.195 -0.153 1.00 0.00 C ATOM 0 H PHE A 18 -6.309 -15.402 4.591 1.00 0.00 H new ATOM 0 HA PHE A 18 -5.028 -12.987 4.120 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -5.415 -15.201 2.698 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -6.754 -14.292 2.026 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -6.343 -12.235 0.728 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -3.122 -14.590 2.215 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -4.800 -11.091 -0.806 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.576 -13.446 0.687 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.412 -11.690 -0.824 1.00 0.00 H new ATOM 251 N ALA A 19 -8.293 -12.843 3.594 1.00 0.00 N ATOM 252 CA ALA A 19 -9.418 -11.926 3.465 1.00 0.00 C ATOM 253 C ALA A 19 -9.494 -10.980 4.659 1.00 0.00 C ATOM 254 O ALA A 19 -9.733 -9.783 4.500 1.00 0.00 O ATOM 255 CB ALA A 19 -10.718 -12.701 3.321 1.00 0.00 C ATOM 0 H ALA A 19 -8.550 -13.830 3.577 1.00 0.00 H new ATOM 0 HA ALA A 19 -9.265 -11.327 2.568 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -11.549 -12.003 3.226 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -10.670 -13.331 2.433 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -10.868 -13.326 4.201 1.00 0.00 H new ATOM 261 N ALA A 20 -9.289 -11.524 5.853 1.00 0.00 N ATOM 262 CA ALA A 20 -9.334 -10.728 7.074 1.00 0.00 C ATOM 263 C ALA A 20 -8.375 -9.545 6.993 1.00 0.00 C ATOM 264 O ALA A 20 -8.672 -8.457 7.484 1.00 0.00 O ATOM 265 CB ALA A 20 -9.006 -11.594 8.281 1.00 0.00 C ATOM 0 H ALA A 20 -9.090 -12.513 6.002 1.00 0.00 H new ATOM 0 HA ALA A 20 -10.345 -10.336 7.186 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.043 -10.987 9.185 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -9.733 -12.403 8.357 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.007 -12.014 8.167 1.00 0.00 H new ATOM 271 N LYS A 21 -7.222 -9.766 6.370 1.00 0.00 N ATOM 272 CA LYS A 21 -6.218 -8.720 6.224 1.00 0.00 C ATOM 273 C LYS A 21 -6.673 -7.666 5.219 1.00 0.00 C ATOM 274 O LYS A 21 -6.472 -6.469 5.425 1.00 0.00 O ATOM 275 CB LYS A 21 -4.883 -9.321 5.777 1.00 0.00 C ATOM 276 CG LYS A 21 -4.231 -10.201 6.831 1.00 0.00 C ATOM 277 CD LYS A 21 -3.033 -9.515 7.465 1.00 0.00 C ATOM 278 CE LYS A 21 -3.463 -8.399 8.405 1.00 0.00 C ATOM 279 NZ LYS A 21 -2.781 -8.493 9.725 1.00 0.00 N ATOM 0 H LYS A 21 -6.960 -10.662 5.958 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.087 -8.241 7.194 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.043 -9.908 4.873 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.199 -8.513 5.516 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.960 -10.448 7.602 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.916 -11.141 6.378 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.442 -10.247 8.015 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.391 -9.107 6.684 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.241 -7.434 7.949 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.542 -8.442 8.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.479 -8.721 10.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.058 -9.240 9.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.328 -7.583 9.948 1.00 0.00 H new ATOM 289 N ALA A 22 -7.289 -8.118 4.132 1.00 0.00 N ATOM 290 CA ALA A 22 -7.776 -7.214 3.097 1.00 0.00 C ATOM 291 C ALA A 22 -8.691 -6.147 3.688 1.00 0.00 C ATOM 292 O ALA A 22 -8.525 -4.957 3.422 1.00 0.00 O ATOM 293 CB ALA A 22 -8.504 -7.995 2.014 1.00 0.00 C ATOM 0 H ALA A 22 -7.463 -9.106 3.945 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.916 -6.713 2.652 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -8.862 -7.307 1.248 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.821 -8.716 1.564 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.351 -8.522 2.453 1.00 0.00 H new ATOM 299 N GLY A 23 -9.659 -6.581 4.490 1.00 0.00 N ATOM 300 CA GLY A 23 -10.587 -5.649 5.103 1.00 0.00 C ATOM 301 C GLY A 23 -9.900 -4.685 6.049 1.00 0.00 C ATOM 302 O GLY A 23 -10.285 -3.520 6.149 1.00 0.00 O ATOM 0 H GLY A 23 -9.817 -7.561 4.726 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.099 -5.085 4.323 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.350 -6.206 5.647 1.00 0.00 H new ATOM 306 N LEU A 24 -8.878 -5.170 6.747 1.00 0.00 N ATOM 307 CA LEU A 24 -8.135 -4.343 7.692 1.00 0.00 C ATOM 308 C LEU A 24 -7.415 -3.207 6.971 1.00 0.00 C ATOM 309 O LEU A 24 -7.331 -2.091 7.482 1.00 0.00 O ATOM 310 CB LEU A 24 -7.125 -5.195 8.462 1.00 0.00 C ATOM 311 CG LEU A 24 -7.532 -5.599 9.880 1.00 0.00 C ATOM 312 CD1 LEU A 24 -7.514 -4.393 10.804 1.00 0.00 C ATOM 313 CD2 LEU A 24 -8.908 -6.251 9.876 1.00 0.00 C ATOM 0 H LEU A 24 -8.545 -6.132 6.676 1.00 0.00 H new ATOM 0 HA LEU A 24 -8.846 -3.910 8.396 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.932 -6.102 7.888 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.185 -4.647 8.517 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.810 -6.326 10.251 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.806 -4.700 11.808 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.510 -3.971 10.831 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -8.213 -3.642 10.436 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.181 -6.532 10.893 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -9.643 -5.548 9.484 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.887 -7.141 9.247 1.00 0.00 H new ATOM 324 N MET A 25 -6.899 -3.501 5.784 1.00 0.00 N ATOM 325 CA MET A 25 -6.189 -2.503 4.991 1.00 0.00 C ATOM 326 C MET A 25 -7.077 -1.292 4.719 1.00 0.00 C ATOM 327 O MET A 25 -6.737 -0.167 5.083 1.00 0.00 O ATOM 328 CB MET A 25 -5.715 -3.111 3.671 1.00 0.00 C ATOM 329 CG MET A 25 -5.162 -2.086 2.694 1.00 0.00 C ATOM 330 SD MET A 25 -3.783 -1.148 3.376 1.00 0.00 S ATOM 331 CE MET A 25 -2.510 -2.406 3.428 1.00 0.00 C ATOM 0 H MET A 25 -6.958 -4.422 5.349 1.00 0.00 H new ATOM 0 HA MET A 25 -5.321 -2.173 5.561 1.00 0.00 H new ATOM 0 HB2 MET A 25 -4.946 -3.855 3.879 1.00 0.00 H new ATOM 0 HB3 MET A 25 -6.548 -3.635 3.202 1.00 0.00 H new ATOM 0 HG2 MET A 25 -4.837 -2.594 1.786 1.00 0.00 H new ATOM 0 HG3 MET A 25 -5.957 -1.398 2.407 1.00 0.00 H new ATOM 0 HE1 MET A 25 -1.639 -2.020 3.957 1.00 0.00 H new ATOM 0 HE2 MET A 25 -2.889 -3.286 3.947 1.00 0.00 H new ATOM 0 HE3 MET A 25 -2.226 -2.678 2.412 1.00 0.00 H new ATOM 339 N ARG A 26 -8.215 -1.533 4.074 1.00 0.00 N ATOM 340 CA ARG A 26 -9.150 -0.463 3.751 1.00 0.00 C ATOM 341 C ARG A 26 -9.570 0.291 5.010 1.00 0.00 C ATOM 342 O ARG A 26 -9.944 1.463 4.949 1.00 0.00 O ATOM 343 CB ARG A 26 -10.384 -1.030 3.048 1.00 0.00 C ATOM 344 CG ARG A 26 -10.063 -1.790 1.771 1.00 0.00 C ATOM 345 CD ARG A 26 -10.903 -3.052 1.647 1.00 0.00 C ATOM 346 NE ARG A 26 -12.153 -2.808 0.934 1.00 0.00 N ATOM 347 CZ ARG A 26 -13.209 -3.613 1.004 1.00 0.00 C ATOM 348 NH1 ARG A 26 -13.164 -4.706 1.753 1.00 0.00 N ATOM 349 NH2 ARG A 26 -14.312 -3.323 0.325 1.00 0.00 N ATOM 0 H ARG A 26 -8.511 -2.459 3.766 1.00 0.00 H new ATOM 0 HA ARG A 26 -8.647 0.235 3.081 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -10.909 -1.695 3.734 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -11.065 -0.212 2.813 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -10.241 -1.147 0.909 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -9.005 -2.053 1.759 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -10.331 -3.819 1.124 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -11.123 -3.441 2.641 1.00 0.00 H new ATOM 0 HE ARG A 26 -12.220 -1.974 0.350 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -12.318 -4.931 2.277 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -13.975 -5.322 1.805 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -14.350 -2.482 -0.251 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -15.122 -3.941 0.379 1.00 0.00 H new ATOM 360 N HIS A 27 -9.507 -0.389 6.150 1.00 0.00 N ATOM 361 CA HIS A 27 -9.880 0.216 7.424 1.00 0.00 C ATOM 362 C HIS A 27 -8.802 1.183 7.902 1.00 0.00 C ATOM 363 O HIS A 27 -9.091 2.154 8.602 1.00 0.00 O ATOM 364 CB HIS A 27 -10.115 -0.867 8.477 1.00 0.00 C ATOM 365 CG HIS A 27 -10.803 -0.364 9.709 1.00 0.00 C ATOM 366 ND1 HIS A 27 -11.582 0.774 9.725 1.00 0.00 N ATOM 367 CD2 HIS A 27 -10.829 -0.853 10.971 1.00 0.00 C ATOM 368 CE1 HIS A 27 -12.055 0.964 10.944 1.00 0.00 C ATOM 369 NE2 HIS A 27 -11.613 -0.010 11.718 1.00 0.00 N ATOM 0 H HIS A 27 -9.201 -1.360 6.218 1.00 0.00 H new ATOM 0 HA HIS A 27 -10.804 0.775 7.277 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -10.712 -1.666 8.038 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -9.156 -1.303 8.758 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -10.326 -1.741 11.324 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -12.694 1.777 11.254 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -11.821 -0.118 12.711 1.00 0.00 H new ATOM 376 N THR A 28 -7.557 0.911 7.521 1.00 0.00 N ATOM 377 CA THR A 28 -6.436 1.755 7.912 1.00 0.00 C ATOM 378 C THR A 28 -6.500 3.110 7.219 1.00 0.00 C ATOM 379 O THR A 28 -6.317 4.152 7.851 1.00 0.00 O ATOM 380 CB THR A 28 -5.088 1.087 7.585 1.00 0.00 C ATOM 381 OG1 THR A 28 -5.168 -0.322 7.829 1.00 0.00 O ATOM 382 CG2 THR A 28 -3.968 1.688 8.419 1.00 0.00 C ATOM 0 H THR A 28 -7.301 0.112 6.941 1.00 0.00 H new ATOM 0 HA THR A 28 -6.510 1.898 8.990 1.00 0.00 H new ATOM 0 HB THR A 28 -4.868 1.262 6.532 1.00 0.00 H new ATOM 0 HG1 THR A 28 -5.661 -0.753 7.100 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.026 1.199 8.170 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.890 2.755 8.209 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.184 1.541 9.477 1.00 0.00 H new ATOM 390 N ILE A 29 -6.764 3.092 5.917 1.00 0.00 N ATOM 391 CA ILE A 29 -6.853 4.321 5.137 1.00 0.00 C ATOM 392 C ILE A 29 -8.140 5.077 5.451 1.00 0.00 C ATOM 393 O ILE A 29 -8.120 6.284 5.693 1.00 0.00 O ATOM 394 CB ILE A 29 -6.794 4.034 3.625 1.00 0.00 C ATOM 395 CG1 ILE A 29 -5.453 3.397 3.256 1.00 0.00 C ATOM 396 CG2 ILE A 29 -7.013 5.316 2.835 1.00 0.00 C ATOM 397 CD1 ILE A 29 -5.433 1.894 3.422 1.00 0.00 C ATOM 0 H ILE A 29 -6.920 2.239 5.379 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.996 4.935 5.414 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.589 3.333 3.372 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.215 3.643 2.221 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.670 3.833 3.876 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -6.969 5.098 1.768 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -7.990 5.732 3.080 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.237 6.038 3.090 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.452 1.510 3.143 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.639 1.640 4.462 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.193 1.447 2.782 1.00 0.00 H new ATOM 408 N GLY A 30 -9.258 4.359 5.447 1.00 0.00 N ATOM 409 CA GLY A 30 -10.539 4.978 5.734 1.00 0.00 C ATOM 410 C GLY A 30 -10.535 5.736 7.046 1.00 0.00 C ATOM 411 O GLY A 30 -10.987 6.879 7.112 1.00 0.00 O ATOM 0 H GLY A 30 -9.300 3.359 5.250 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.799 5.660 4.925 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.312 4.210 5.764 1.00 0.00 H new ATOM 415 N GLN A 31 -10.025 5.098 8.095 1.00 0.00 N ATOM 416 CA GLN A 31 -9.967 5.719 9.412 1.00 0.00 C ATOM 417 C GLN A 31 -8.893 6.801 9.458 1.00 0.00 C ATOM 418 O GLN A 31 -9.047 7.814 10.139 1.00 0.00 O ATOM 419 CB GLN A 31 -9.689 4.664 10.485 1.00 0.00 C ATOM 420 CG GLN A 31 -10.942 3.964 10.987 1.00 0.00 C ATOM 421 CD GLN A 31 -11.822 4.870 11.825 1.00 0.00 C ATOM 422 OE1 GLN A 31 -12.933 5.219 11.425 1.00 0.00 O ATOM 423 NE2 GLN A 31 -11.329 5.258 12.996 1.00 0.00 N ATOM 0 H GLN A 31 -9.646 4.152 8.058 1.00 0.00 H new ATOM 0 HA GLN A 31 -10.933 6.183 9.609 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -9.003 3.919 10.082 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -9.185 5.138 11.327 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -11.514 3.596 10.135 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.655 3.094 11.578 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -10.403 4.945 13.289 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -11.876 5.869 13.603 1.00 0.00 H new ATOM 430 N ALA A 32 -7.806 6.580 8.727 1.00 0.00 N ATOM 431 CA ALA A 32 -6.707 7.537 8.682 1.00 0.00 C ATOM 432 C ALA A 32 -7.137 8.835 8.007 1.00 0.00 C ATOM 433 O ALA A 32 -6.733 9.922 8.420 1.00 0.00 O ATOM 434 CB ALA A 32 -5.512 6.934 7.958 1.00 0.00 C ATOM 0 H ALA A 32 -7.662 5.746 8.157 1.00 0.00 H new ATOM 0 HA ALA A 32 -6.418 7.770 9.707 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.699 7.659 7.932 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.182 6.038 8.484 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.798 6.672 6.939 1.00 0.00 H new ATOM 440 N GLU A 33 -7.957 8.714 6.969 1.00 0.00 N ATOM 441 CA GLU A 33 -8.441 9.878 6.237 1.00 0.00 C ATOM 442 C GLU A 33 -9.156 10.851 7.171 1.00 0.00 C ATOM 443 O GLU A 33 -8.899 12.054 7.145 1.00 0.00 O ATOM 444 CB GLU A 33 -9.385 9.448 5.113 1.00 0.00 C ATOM 445 CG GLU A 33 -8.791 9.606 3.724 1.00 0.00 C ATOM 446 CD GLU A 33 -9.402 8.653 2.715 1.00 0.00 C ATOM 447 OE1 GLU A 33 -10.638 8.477 2.737 1.00 0.00 O ATOM 448 OE2 GLU A 33 -8.643 8.081 1.904 1.00 0.00 O ATOM 0 H GLU A 33 -8.301 7.821 6.616 1.00 0.00 H new ATOM 0 HA GLU A 33 -7.579 10.384 5.803 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -9.663 8.405 5.263 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -10.302 10.035 5.176 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.938 10.631 3.385 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.715 9.437 3.772 1.00 0.00 H new ATOM 658 N PHE A 51 -4.473 20.306 -1.334 1.00 0.00 N ATOM 659 CA PHE A 51 -4.927 19.089 -0.672 1.00 0.00 C ATOM 660 C PHE A 51 -5.569 18.132 -1.673 1.00 0.00 C ATOM 661 O PHE A 51 -5.453 16.914 -1.544 1.00 0.00 O ATOM 662 CB PHE A 51 -5.924 19.427 0.437 1.00 0.00 C ATOM 663 CG PHE A 51 -6.582 18.220 1.042 1.00 0.00 C ATOM 664 CD1 PHE A 51 -7.745 17.702 0.496 1.00 0.00 C ATOM 665 CD2 PHE A 51 -6.038 17.604 2.158 1.00 0.00 C ATOM 666 CE1 PHE A 51 -8.352 16.590 1.049 1.00 0.00 C ATOM 667 CE2 PHE A 51 -6.640 16.493 2.716 1.00 0.00 C ATOM 668 CZ PHE A 51 -7.800 15.986 2.162 1.00 0.00 C ATOM 0 HA PHE A 51 -4.058 18.599 -0.233 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.408 19.981 1.221 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -6.693 20.086 0.034 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -8.183 18.173 -0.372 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -5.133 17.997 2.597 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -9.257 16.194 0.612 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -6.205 16.021 3.584 1.00 0.00 H new ATOM 0 HZ PHE A 51 -8.274 15.119 2.598 1.00 0.00 H new ATOM 677 N GLN A 52 -6.245 18.695 -2.670 1.00 0.00 N ATOM 678 CA GLN A 52 -6.907 17.892 -3.692 1.00 0.00 C ATOM 679 C GLN A 52 -5.903 17.003 -4.419 1.00 0.00 C ATOM 680 O GLN A 52 -6.081 15.787 -4.499 1.00 0.00 O ATOM 681 CB GLN A 52 -7.625 18.796 -4.695 1.00 0.00 C ATOM 682 CG GLN A 52 -8.121 18.062 -5.930 1.00 0.00 C ATOM 683 CD GLN A 52 -9.577 18.351 -6.237 1.00 0.00 C ATOM 684 OE1 GLN A 52 -10.125 19.365 -5.802 1.00 0.00 O ATOM 685 NE2 GLN A 52 -10.212 17.460 -6.988 1.00 0.00 N ATOM 0 H GLN A 52 -6.349 19.702 -2.792 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.641 17.254 -3.199 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -8.472 19.272 -4.201 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -6.948 19.592 -5.004 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -7.510 18.347 -6.787 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -7.990 16.989 -5.787 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -9.718 16.634 -7.327 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -11.194 17.601 -7.227 1.00 0.00 H new ATOM 692 N ALA A 53 -4.851 17.617 -4.948 1.00 0.00 N ATOM 693 CA ALA A 53 -3.819 16.880 -5.668 1.00 0.00 C ATOM 694 C ALA A 53 -3.308 15.704 -4.843 1.00 0.00 C ATOM 695 O ALA A 53 -3.193 14.586 -5.343 1.00 0.00 O ATOM 696 CB ALA A 53 -2.670 17.807 -6.037 1.00 0.00 C ATOM 0 H ALA A 53 -4.690 18.623 -4.892 1.00 0.00 H new ATOM 0 HA ALA A 53 -4.260 16.484 -6.582 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -1.906 17.244 -6.574 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.041 18.612 -6.672 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -2.238 18.230 -5.130 1.00 0.00 H new ATOM 702 N ALA A 54 -3.000 15.965 -3.576 1.00 0.00 N ATOM 703 CA ALA A 54 -2.502 14.928 -2.682 1.00 0.00 C ATOM 704 C ALA A 54 -3.562 13.859 -2.436 1.00 0.00 C ATOM 705 O ALA A 54 -3.257 12.667 -2.392 1.00 0.00 O ATOM 706 CB ALA A 54 -2.052 15.539 -1.363 1.00 0.00 C ATOM 0 H ALA A 54 -3.087 16.886 -3.147 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.646 14.452 -3.161 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.682 14.753 -0.705 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.256 16.260 -1.549 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.895 16.042 -0.889 1.00 0.00 H new ATOM 712 N HIS A 55 -4.808 14.294 -2.278 1.00 0.00 N ATOM 713 CA HIS A 55 -5.914 13.373 -2.035 1.00 0.00 C ATOM 714 C HIS A 55 -6.118 12.444 -3.228 1.00 0.00 C ATOM 715 O HIS A 55 -6.412 11.261 -3.063 1.00 0.00 O ATOM 716 CB HIS A 55 -7.200 14.150 -1.755 1.00 0.00 C ATOM 717 CG HIS A 55 -8.389 13.273 -1.512 1.00 0.00 C ATOM 718 ND1 HIS A 55 -8.993 13.146 -0.279 1.00 0.00 N ATOM 719 CD2 HIS A 55 -9.088 12.478 -2.355 1.00 0.00 C ATOM 720 CE1 HIS A 55 -10.010 12.310 -0.373 1.00 0.00 C ATOM 721 NE2 HIS A 55 -10.090 11.890 -1.623 1.00 0.00 N ATOM 0 H HIS A 55 -5.078 15.277 -2.314 1.00 0.00 H new ATOM 0 HA HIS A 55 -5.666 12.768 -1.163 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -7.047 14.789 -0.885 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -7.409 14.806 -2.600 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -8.894 12.333 -3.407 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -10.665 12.019 0.435 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -10.783 11.235 -1.985 1.00 0.00 H new ATOM 728 N ALA A 56 -5.959 12.989 -4.431 1.00 0.00 N ATOM 729 CA ALA A 56 -6.125 12.210 -5.651 1.00 0.00 C ATOM 730 C ALA A 56 -4.962 11.242 -5.846 1.00 0.00 C ATOM 731 O ALA A 56 -5.129 10.164 -6.417 1.00 0.00 O ATOM 732 CB ALA A 56 -6.253 13.132 -6.854 1.00 0.00 C ATOM 0 H ALA A 56 -5.715 13.967 -4.585 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.040 11.625 -5.557 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.376 12.536 -7.758 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -7.120 13.780 -6.725 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.354 13.742 -6.942 1.00 0.00 H new ATOM 738 N ARG A 57 -3.786 11.634 -5.368 1.00 0.00 N ATOM 739 CA ARG A 57 -2.596 10.801 -5.492 1.00 0.00 C ATOM 740 C ARG A 57 -2.753 9.506 -4.701 1.00 0.00 C ATOM 741 O ARG A 57 -2.337 8.438 -5.149 1.00 0.00 O ATOM 742 CB ARG A 57 -1.362 11.562 -5.004 1.00 0.00 C ATOM 743 CG ARG A 57 -0.781 12.509 -6.040 1.00 0.00 C ATOM 744 CD ARG A 57 0.503 13.158 -5.545 1.00 0.00 C ATOM 745 NE ARG A 57 1.584 13.044 -6.520 1.00 0.00 N ATOM 746 CZ ARG A 57 2.866 13.226 -6.220 1.00 0.00 C ATOM 747 NH1 ARG A 57 3.223 13.529 -4.981 1.00 0.00 N ATOM 748 NH2 ARG A 57 3.792 13.105 -7.163 1.00 0.00 N ATOM 0 H ARG A 57 -3.632 12.523 -4.892 1.00 0.00 H new ATOM 0 HA ARG A 57 -2.468 10.550 -6.545 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -1.625 12.130 -4.112 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -0.596 10.844 -4.710 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.582 11.963 -6.962 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.512 13.282 -6.279 1.00 0.00 H new ATOM 0 HD2 ARG A 57 0.318 14.210 -5.330 1.00 0.00 H new ATOM 0 HD3 ARG A 57 0.808 12.690 -4.609 1.00 0.00 H new ATOM 0 HE ARG A 57 1.342 12.812 -7.483 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.513 13.623 -4.254 1.00 0.00 H new ATOM 0 HH12 ARG A 57 4.208 13.668 -4.753 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.520 12.872 -8.118 1.00 0.00 H new ATOM 0 HH22 ARG A 57 4.776 13.245 -6.933 1.00 0.00 H new ATOM 759 N PHE A 58 -3.357 9.608 -3.522 1.00 0.00 N ATOM 760 CA PHE A 58 -3.569 8.446 -2.667 1.00 0.00 C ATOM 761 C PHE A 58 -4.524 7.455 -3.325 1.00 0.00 C ATOM 762 O PHE A 58 -4.200 6.278 -3.489 1.00 0.00 O ATOM 763 CB PHE A 58 -4.122 8.880 -1.308 1.00 0.00 C ATOM 764 CG PHE A 58 -3.962 7.840 -0.237 1.00 0.00 C ATOM 765 CD1 PHE A 58 -4.625 6.626 -0.325 1.00 0.00 C ATOM 766 CD2 PHE A 58 -3.149 8.075 0.860 1.00 0.00 C ATOM 767 CE1 PHE A 58 -4.480 5.666 0.659 1.00 0.00 C ATOM 768 CE2 PHE A 58 -2.999 7.119 1.847 1.00 0.00 C ATOM 769 CZ PHE A 58 -3.666 5.914 1.747 1.00 0.00 C ATOM 0 H PHE A 58 -3.709 10.484 -3.136 1.00 0.00 H new ATOM 0 HA PHE A 58 -2.608 7.954 -2.519 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.618 9.794 -0.994 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -5.180 9.120 -1.415 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -5.263 6.428 -1.173 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -2.626 9.016 0.945 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -5.002 4.724 0.577 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.361 7.314 2.696 1.00 0.00 H new ATOM 0 HZ PHE A 58 -3.551 5.167 2.518 1.00 0.00 H new ATOM 778 N VAL A 59 -5.704 7.938 -3.700 1.00 0.00 N ATOM 779 CA VAL A 59 -6.708 7.095 -4.340 1.00 0.00 C ATOM 780 C VAL A 59 -6.169 6.482 -5.628 1.00 0.00 C ATOM 781 O VAL A 59 -6.537 5.368 -5.997 1.00 0.00 O ATOM 782 CB VAL A 59 -7.987 7.891 -4.659 1.00 0.00 C ATOM 783 CG1 VAL A 59 -7.647 9.172 -5.406 1.00 0.00 C ATOM 784 CG2 VAL A 59 -8.958 7.038 -5.461 1.00 0.00 C ATOM 0 H VAL A 59 -5.989 8.909 -3.572 1.00 0.00 H new ATOM 0 HA VAL A 59 -6.950 6.299 -3.636 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.468 8.164 -3.720 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -8.563 9.721 -5.623 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.991 9.789 -4.791 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.142 8.925 -6.340 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.856 7.616 -5.678 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -8.488 6.733 -6.396 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.226 6.153 -4.885 1.00 0.00 H new ATOM 794 N ALA A 60 -5.295 7.218 -6.307 1.00 0.00 N ATOM 795 CA ALA A 60 -4.703 6.744 -7.552 1.00 0.00 C ATOM 796 C ALA A 60 -3.828 5.518 -7.314 1.00 0.00 C ATOM 797 O ALA A 60 -3.797 4.598 -8.130 1.00 0.00 O ATOM 798 CB ALA A 60 -3.893 7.854 -8.206 1.00 0.00 C ATOM 0 H ALA A 60 -4.982 8.144 -6.016 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.512 6.454 -8.223 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.456 7.487 -9.135 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.544 8.701 -8.421 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.098 8.170 -7.531 1.00 0.00 H new ATOM 804 N ALA A 61 -3.118 5.514 -6.190 1.00 0.00 N ATOM 805 CA ALA A 61 -2.244 4.399 -5.845 1.00 0.00 C ATOM 806 C ALA A 61 -3.042 3.233 -5.271 1.00 0.00 C ATOM 807 O ALA A 61 -2.772 2.073 -5.581 1.00 0.00 O ATOM 808 CB ALA A 61 -1.180 4.851 -4.855 1.00 0.00 C ATOM 0 H ALA A 61 -3.131 6.269 -5.504 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.755 4.056 -6.757 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.534 4.009 -4.606 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -0.583 5.647 -5.300 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -1.660 5.221 -3.949 1.00 0.00 H new ATOM 814 N ALA A 62 -4.023 3.548 -4.432 1.00 0.00 N ATOM 815 CA ALA A 62 -4.860 2.527 -3.817 1.00 0.00 C ATOM 816 C ALA A 62 -5.431 1.579 -4.866 1.00 0.00 C ATOM 817 O ALA A 62 -5.650 0.399 -4.596 1.00 0.00 O ATOM 818 CB ALA A 62 -5.985 3.175 -3.021 1.00 0.00 C ATOM 0 H ALA A 62 -4.257 4.504 -4.163 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.238 1.944 -3.138 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.603 2.400 -2.567 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.561 3.806 -2.239 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.598 3.784 -3.686 1.00 0.00 H new ATOM 824 N ALA A 63 -5.668 2.103 -6.064 1.00 0.00 N ATOM 825 CA ALA A 63 -6.211 1.303 -7.154 1.00 0.00 C ATOM 826 C ALA A 63 -5.332 0.089 -7.435 1.00 0.00 C ATOM 827 O ALA A 63 -5.818 -0.956 -7.868 1.00 0.00 O ATOM 828 CB ALA A 63 -6.360 2.151 -8.409 1.00 0.00 C ATOM 0 H ALA A 63 -5.492 3.079 -6.304 1.00 0.00 H new ATOM 0 HA ALA A 63 -7.195 0.944 -6.852 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -6.767 1.540 -9.215 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -7.035 2.983 -8.208 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.385 2.538 -8.704 1.00 0.00 H new ATOM 834 N LYS A 64 -4.034 0.234 -7.187 1.00 0.00 N ATOM 835 CA LYS A 64 -3.085 -0.850 -7.413 1.00 0.00 C ATOM 836 C LYS A 64 -3.214 -1.919 -6.332 1.00 0.00 C ATOM 837 O LYS A 64 -3.293 -3.111 -6.629 1.00 0.00 O ATOM 838 CB LYS A 64 -1.656 -0.307 -7.440 1.00 0.00 C ATOM 839 CG LYS A 64 -0.881 -0.695 -8.687 1.00 0.00 C ATOM 840 CD LYS A 64 -0.851 -2.203 -8.878 1.00 0.00 C ATOM 841 CE LYS A 64 0.295 -2.627 -9.785 1.00 0.00 C ATOM 842 NZ LYS A 64 0.302 -1.865 -11.063 1.00 0.00 N ATOM 0 H LYS A 64 -3.615 1.093 -6.829 1.00 0.00 H new ATOM 0 HA LYS A 64 -3.312 -1.304 -8.378 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -1.688 0.780 -7.366 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.121 -0.671 -6.562 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.335 -0.226 -9.560 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.138 -0.316 -8.616 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -0.750 -2.692 -7.909 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -1.797 -2.536 -9.305 1.00 0.00 H new ATOM 0 HE2 LYS A 64 1.242 -2.477 -9.267 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.214 -3.693 -9.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 0.935 -2.333 -11.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.662 -1.832 -11.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 0.638 -0.896 -10.888 1.00 0.00 H new ATOM 852 N VAL A 65 -3.235 -1.484 -5.075 1.00 0.00 N ATOM 853 CA VAL A 65 -3.356 -2.404 -3.950 1.00 0.00 C ATOM 854 C VAL A 65 -4.693 -3.136 -3.980 1.00 0.00 C ATOM 855 O VAL A 65 -4.781 -4.306 -3.610 1.00 0.00 O ATOM 856 CB VAL A 65 -3.218 -1.666 -2.605 1.00 0.00 C ATOM 857 CG1 VAL A 65 -3.188 -2.658 -1.453 1.00 0.00 C ATOM 858 CG2 VAL A 65 -1.971 -0.795 -2.602 1.00 0.00 C ATOM 0 H VAL A 65 -3.170 -0.501 -4.811 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.546 -3.128 -4.044 1.00 0.00 H new ATOM 0 HB VAL A 65 -4.086 -1.019 -2.474 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.090 -2.119 -0.511 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.112 -3.236 -1.446 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.340 -3.332 -1.575 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -1.889 -0.281 -1.644 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.091 -1.419 -2.755 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -2.039 -0.060 -3.404 1.00 0.00 H new ATOM 868 N ASN A 66 -5.734 -2.438 -4.425 1.00 0.00 N ATOM 869 CA ASN A 66 -7.068 -3.022 -4.504 1.00 0.00 C ATOM 870 C ASN A 66 -7.117 -4.128 -5.553 1.00 0.00 C ATOM 871 O ASN A 66 -7.682 -5.197 -5.320 1.00 0.00 O ATOM 872 CB ASN A 66 -8.101 -1.943 -4.836 1.00 0.00 C ATOM 873 CG ASN A 66 -9.338 -2.512 -5.502 1.00 0.00 C ATOM 874 OD1 ASN A 66 -10.313 -2.858 -4.834 1.00 0.00 O ATOM 875 ND2 ASN A 66 -9.304 -2.612 -6.826 1.00 0.00 N ATOM 0 H ASN A 66 -5.679 -1.468 -4.736 1.00 0.00 H new ATOM 0 HA ASN A 66 -7.305 -3.456 -3.533 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -8.390 -1.426 -3.921 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -7.648 -1.200 -5.492 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -10.107 -2.988 -7.330 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -8.475 -2.313 -7.339 1.00 0.00 H new ATOM 881 N THR A 67 -6.518 -3.865 -6.711 1.00 0.00 N ATOM 882 CA THR A 67 -6.493 -4.837 -7.796 1.00 0.00 C ATOM 883 C THR A 67 -5.596 -6.020 -7.454 1.00 0.00 C ATOM 884 O THR A 67 -5.887 -7.160 -7.821 1.00 0.00 O ATOM 885 CB THR A 67 -6.004 -4.199 -9.111 1.00 0.00 C ATOM 886 OG1 THR A 67 -6.892 -3.147 -9.505 1.00 0.00 O ATOM 887 CG2 THR A 67 -5.918 -5.238 -10.217 1.00 0.00 C ATOM 0 H THR A 67 -6.044 -2.987 -6.921 1.00 0.00 H new ATOM 0 HA THR A 67 -7.516 -5.188 -7.930 1.00 0.00 H new ATOM 0 HB THR A 67 -5.008 -3.789 -8.942 1.00 0.00 H new ATOM 0 HG1 THR A 67 -6.656 -2.324 -9.028 1.00 0.00 H new ATOM 0 HG21 THR A 67 -5.571 -4.764 -11.135 1.00 0.00 H new ATOM 0 HG22 THR A 67 -5.219 -6.022 -9.926 1.00 0.00 H new ATOM 0 HG23 THR A 67 -6.903 -5.674 -10.384 1.00 0.00 H new ATOM 895 N LEU A 68 -4.505 -5.744 -6.750 1.00 0.00 N ATOM 896 CA LEU A 68 -3.564 -6.788 -6.356 1.00 0.00 C ATOM 897 C LEU A 68 -4.155 -7.670 -5.262 1.00 0.00 C ATOM 898 O LEU A 68 -3.789 -8.839 -5.126 1.00 0.00 O ATOM 899 CB LEU A 68 -2.253 -6.165 -5.873 1.00 0.00 C ATOM 900 CG LEU A 68 -1.400 -5.481 -6.942 1.00 0.00 C ATOM 901 CD1 LEU A 68 -0.294 -4.660 -6.298 1.00 0.00 C ATOM 902 CD2 LEU A 68 -0.815 -6.512 -7.897 1.00 0.00 C ATOM 0 H LEU A 68 -4.249 -4.807 -6.440 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.364 -7.410 -7.229 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.485 -5.433 -5.099 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.654 -6.946 -5.404 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.039 -4.807 -7.513 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.303 -4.181 -7.074 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.734 -3.897 -5.656 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.344 -5.313 -5.702 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.211 -6.008 -8.651 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.191 -7.211 -7.340 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.624 -7.057 -8.384 1.00 0.00 H new ATOM 913 N LEU A 69 -5.072 -7.104 -4.485 1.00 0.00 N ATOM 914 CA LEU A 69 -5.717 -7.840 -3.402 1.00 0.00 C ATOM 915 C LEU A 69 -6.660 -8.905 -3.954 1.00 0.00 C ATOM 916 O LEU A 69 -6.867 -9.948 -3.332 1.00 0.00 O ATOM 917 CB LEU A 69 -6.489 -6.880 -2.496 1.00 0.00 C ATOM 918 CG LEU A 69 -5.783 -6.462 -1.205 1.00 0.00 C ATOM 919 CD1 LEU A 69 -6.491 -5.276 -0.570 1.00 0.00 C ATOM 920 CD2 LEU A 69 -5.715 -7.630 -0.231 1.00 0.00 C ATOM 0 H LEU A 69 -5.386 -6.139 -4.584 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.940 -8.335 -2.819 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.721 -5.981 -3.067 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.439 -7.345 -2.233 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.765 -6.162 -1.451 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.975 -4.993 0.347 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.486 -4.435 -1.264 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.520 -5.549 -0.338 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.209 -7.314 0.681 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.725 -7.962 0.010 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.162 -8.452 -0.686 1.00 0.00 H new ATOM 931 N ASP A 70 -7.226 -8.638 -5.125 1.00 0.00 N ATOM 932 CA ASP A 70 -8.143 -9.574 -5.763 1.00 0.00 C ATOM 933 C ASP A 70 -7.381 -10.718 -6.424 1.00 0.00 C ATOM 934 O ASP A 70 -7.635 -11.890 -6.145 1.00 0.00 O ATOM 935 CB ASP A 70 -9.003 -8.852 -6.801 1.00 0.00 C ATOM 936 CG ASP A 70 -10.446 -9.318 -6.784 1.00 0.00 C ATOM 937 OD1 ASP A 70 -11.012 -9.456 -5.680 1.00 0.00 O ATOM 938 OD2 ASP A 70 -11.009 -9.548 -7.876 1.00 0.00 O ATOM 0 H ASP A 70 -7.066 -7.780 -5.652 1.00 0.00 H new ATOM 0 HA ASP A 70 -8.791 -9.991 -4.992 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -8.969 -7.779 -6.614 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -8.583 -9.016 -7.793 1.00 0.00 H new ATOM 942 N VAL A 71 -6.445 -10.371 -7.301 1.00 0.00 N ATOM 943 CA VAL A 71 -5.646 -11.368 -8.002 1.00 0.00 C ATOM 944 C VAL A 71 -4.915 -12.275 -7.019 1.00 0.00 C ATOM 945 O VAL A 71 -4.705 -13.458 -7.288 1.00 0.00 O ATOM 946 CB VAL A 71 -4.614 -10.706 -8.935 1.00 0.00 C ATOM 947 CG1 VAL A 71 -5.315 -9.921 -10.034 1.00 0.00 C ATOM 948 CG2 VAL A 71 -3.677 -9.808 -8.142 1.00 0.00 C ATOM 0 H VAL A 71 -6.221 -9.406 -7.543 1.00 0.00 H new ATOM 0 HA VAL A 71 -6.336 -11.964 -8.599 1.00 0.00 H new ATOM 0 HB VAL A 71 -4.018 -11.489 -9.404 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.571 -9.460 -10.683 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -5.941 -10.594 -10.620 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -5.937 -9.145 -9.587 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -2.955 -9.349 -8.817 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -4.254 -9.029 -7.644 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.149 -10.402 -7.396 1.00 0.00 H new ATOM 958 N ALA A 72 -4.531 -11.714 -5.876 1.00 0.00 N ATOM 959 CA ALA A 72 -3.826 -12.473 -4.851 1.00 0.00 C ATOM 960 C ALA A 72 -4.706 -13.585 -4.289 1.00 0.00 C ATOM 961 O ALA A 72 -4.274 -14.732 -4.174 1.00 0.00 O ATOM 962 CB ALA A 72 -3.361 -11.550 -3.736 1.00 0.00 C ATOM 0 H ALA A 72 -4.697 -10.736 -5.637 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.953 -12.935 -5.312 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -2.836 -12.131 -2.978 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.689 -10.796 -4.145 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.224 -11.061 -3.285 1.00 0.00 H new ATOM 968 N GLN A 73 -5.939 -13.236 -3.939 1.00 0.00 N ATOM 969 CA GLN A 73 -6.878 -14.205 -3.387 1.00 0.00 C ATOM 970 C GLN A 73 -7.353 -15.177 -4.462 1.00 0.00 C ATOM 971 O GLN A 73 -7.600 -16.351 -4.186 1.00 0.00 O ATOM 972 CB GLN A 73 -8.079 -13.488 -2.766 1.00 0.00 C ATOM 973 CG GLN A 73 -7.703 -12.527 -1.650 1.00 0.00 C ATOM 974 CD GLN A 73 -8.708 -11.405 -1.482 1.00 0.00 C ATOM 975 OE1 GLN A 73 -9.197 -10.841 -2.462 1.00 0.00 O ATOM 976 NE2 GLN A 73 -9.023 -11.074 -0.236 1.00 0.00 N ATOM 0 H GLN A 73 -6.311 -12.290 -4.028 1.00 0.00 H new ATOM 0 HA GLN A 73 -6.361 -14.772 -2.612 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -8.606 -12.938 -3.546 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -8.773 -14.232 -2.375 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -7.620 -13.079 -0.713 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -6.721 -12.102 -1.857 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -8.594 -11.568 0.547 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -9.694 -10.326 -0.061 1.00 0.00 H new ATOM 983 N ALA A 74 -7.478 -14.681 -5.689 1.00 0.00 N ATOM 984 CA ALA A 74 -7.920 -15.507 -6.805 1.00 0.00 C ATOM 985 C ALA A 74 -6.854 -16.526 -7.190 1.00 0.00 C ATOM 986 O ALA A 74 -7.128 -17.723 -7.277 1.00 0.00 O ATOM 987 CB ALA A 74 -8.275 -14.633 -7.999 1.00 0.00 C ATOM 0 H ALA A 74 -7.279 -13.711 -5.935 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.809 -16.053 -6.491 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -8.604 -15.263 -8.826 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.077 -13.948 -7.723 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.399 -14.061 -8.305 1.00 0.00 H new ATOM 993 N ASN A 75 -5.637 -16.043 -7.423 1.00 0.00 N ATOM 994 CA ASN A 75 -4.530 -16.913 -7.802 1.00 0.00 C ATOM 995 C ASN A 75 -4.281 -17.974 -6.734 1.00 0.00 C ATOM 996 O ASN A 75 -3.899 -19.104 -7.041 1.00 0.00 O ATOM 997 CB ASN A 75 -3.260 -16.089 -8.024 1.00 0.00 C ATOM 998 CG ASN A 75 -3.155 -15.560 -9.441 1.00 0.00 C ATOM 999 OD1 ASN A 75 -2.726 -16.270 -10.351 1.00 0.00 O ATOM 1000 ND2 ASN A 75 -3.548 -14.306 -9.635 1.00 0.00 N ATOM 0 H ASN A 75 -5.393 -15.055 -7.356 1.00 0.00 H new ATOM 0 HA ASN A 75 -4.797 -17.415 -8.732 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -3.246 -15.253 -7.325 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -2.388 -16.704 -7.803 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -3.501 -13.895 -10.567 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -3.897 -13.754 -8.852 1.00 0.00 H new ATOM 1006 N LEU A 76 -4.501 -17.602 -5.477 1.00 0.00 N ATOM 1007 CA LEU A 76 -4.301 -18.520 -4.361 1.00 0.00 C ATOM 1008 C LEU A 76 -5.515 -19.427 -4.178 1.00 0.00 C ATOM 1009 O LEU A 76 -5.392 -20.560 -3.715 1.00 0.00 O ATOM 1010 CB LEU A 76 -4.036 -17.740 -3.073 1.00 0.00 C ATOM 1011 CG LEU A 76 -2.708 -16.985 -3.008 1.00 0.00 C ATOM 1012 CD1 LEU A 76 -2.631 -16.146 -1.741 1.00 0.00 C ATOM 1013 CD2 LEU A 76 -1.538 -17.956 -3.077 1.00 0.00 C ATOM 0 H LEU A 76 -4.818 -16.671 -5.206 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.435 -19.142 -4.586 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.846 -17.024 -2.932 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.077 -18.436 -2.235 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.651 -16.316 -3.867 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -1.679 -15.616 -1.713 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.448 -15.425 -1.732 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -2.711 -16.795 -0.869 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.601 -17.401 -3.029 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.591 -18.650 -2.238 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.582 -18.513 -4.013 1.00 0.00 H new ATOM 1024 N GLY A 77 -6.687 -18.920 -4.549 1.00 0.00 N ATOM 1025 CA GLY A 77 -7.906 -19.698 -4.420 1.00 0.00 C ATOM 1026 C GLY A 77 -8.404 -19.762 -2.990 1.00 0.00 C ATOM 1027 O GLY A 77 -9.474 -19.241 -2.676 1.00 0.00 O ATOM 0 H GLY A 77 -6.814 -17.985 -4.936 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -8.680 -19.262 -5.052 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -7.728 -20.709 -4.785 1.00 0.00 H new ATOM 1031 N GLU A 78 -7.628 -20.404 -2.123 1.00 0.00 N ATOM 1032 CA GLU A 78 -7.999 -20.536 -0.719 1.00 0.00 C ATOM 1033 C GLU A 78 -8.339 -19.175 -0.116 1.00 0.00 C ATOM 1034 O GLU A 78 -9.371 -19.014 0.537 1.00 0.00 O ATOM 1035 CB GLU A 78 -6.864 -21.187 0.073 1.00 0.00 C ATOM 1036 CG GLU A 78 -7.303 -22.393 0.888 1.00 0.00 C ATOM 1037 CD GLU A 78 -6.157 -23.032 1.648 1.00 0.00 C ATOM 1038 OE1 GLU A 78 -5.339 -23.729 1.013 1.00 0.00 O ATOM 1039 OE2 GLU A 78 -6.079 -22.835 2.879 1.00 0.00 O ATOM 0 H GLU A 78 -6.739 -20.841 -2.368 1.00 0.00 H new ATOM 0 HA GLU A 78 -8.883 -21.171 -0.662 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -6.079 -21.493 -0.618 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -6.428 -20.446 0.743 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -8.076 -22.088 1.593 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -7.751 -23.132 0.224 1.00 0.00 H new ATOM 1044 N ALA A 79 -7.465 -18.201 -0.339 1.00 0.00 N ATOM 1045 CA ALA A 79 -7.672 -16.855 0.181 1.00 0.00 C ATOM 1046 C ALA A 79 -9.033 -16.308 -0.238 1.00 0.00 C ATOM 1047 O ALA A 79 -9.622 -15.484 0.461 1.00 0.00 O ATOM 1048 CB ALA A 79 -6.561 -15.929 -0.293 1.00 0.00 C ATOM 0 H ALA A 79 -6.606 -18.318 -0.876 1.00 0.00 H new ATOM 0 HA ALA A 79 -7.649 -16.905 1.270 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -6.729 -14.927 0.103 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.600 -16.303 0.061 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -6.558 -15.893 -1.382 1.00 0.00 H new ATOM 1533 N ALA B 620 3.520 11.760 9.950 1.00 0.00 N ATOM 1534 CA ALA B 620 4.203 10.660 9.279 1.00 0.00 C ATOM 1535 C ALA B 620 3.887 9.327 9.949 1.00 0.00 C ATOM 1536 O ALA B 620 3.855 8.285 9.297 1.00 0.00 O ATOM 1537 CB ALA B 620 5.705 10.903 9.262 1.00 0.00 C ATOM 0 HA ALA B 620 3.843 10.614 8.251 1.00 0.00 H new ATOM 0 HB1 ALA B 620 6.202 10.074 8.758 1.00 0.00 H new ATOM 0 HB2 ALA B 620 5.918 11.831 8.731 1.00 0.00 H new ATOM 0 HB3 ALA B 620 6.073 10.979 10.285 1.00 0.00 H new ATOM 1543 N GLY B 621 3.654 9.369 11.258 1.00 0.00 N ATOM 1544 CA GLY B 621 3.345 8.157 11.995 1.00 0.00 C ATOM 1545 C GLY B 621 2.196 7.382 11.381 1.00 0.00 C ATOM 1546 O GLY B 621 2.288 6.169 11.190 1.00 0.00 O ATOM 0 H GLY B 621 3.674 10.220 11.820 1.00 0.00 H new ATOM 0 HA2 GLY B 621 4.230 7.522 12.031 1.00 0.00 H new ATOM 0 HA3 GLY B 621 3.096 8.415 13.024 1.00 0.00 H new ATOM 1550 N TYR B 622 1.112 8.083 11.069 1.00 0.00 N ATOM 1551 CA TYR B 622 -0.062 7.453 10.476 1.00 0.00 C ATOM 1552 C TYR B 622 0.311 6.693 9.206 1.00 0.00 C ATOM 1553 O TYR B 622 0.059 5.494 9.090 1.00 0.00 O ATOM 1554 CB TYR B 622 -1.128 8.503 10.161 1.00 0.00 C ATOM 1555 CG TYR B 622 -1.890 8.976 11.378 1.00 0.00 C ATOM 1556 CD1 TYR B 622 -2.884 8.190 11.948 1.00 0.00 C ATOM 1557 CD2 TYR B 622 -1.618 10.209 11.958 1.00 0.00 C ATOM 1558 CE1 TYR B 622 -3.584 8.618 13.059 1.00 0.00 C ATOM 1559 CE2 TYR B 622 -2.312 10.645 13.070 1.00 0.00 C ATOM 1560 CZ TYR B 622 -3.294 9.845 13.617 1.00 0.00 C ATOM 1561 OH TYR B 622 -3.988 10.276 14.724 1.00 0.00 O ATOM 0 H TYR B 622 1.022 9.088 11.217 1.00 0.00 H new ATOM 0 HA TYR B 622 -0.465 6.743 11.198 1.00 0.00 H new ATOM 0 HB2 TYR B 622 -0.652 9.360 9.685 1.00 0.00 H new ATOM 0 HB3 TYR B 622 -1.833 8.088 9.440 1.00 0.00 H new ATOM 0 HD1 TYR B 622 -3.113 7.228 11.515 1.00 0.00 H new ATOM 0 HD2 TYR B 622 -0.850 10.838 11.532 1.00 0.00 H new ATOM 0 HE1 TYR B 622 -4.354 7.995 13.488 1.00 0.00 H new ATOM 0 HE2 TYR B 622 -2.087 11.606 13.508 1.00 0.00 H new ATOM 0 HH TYR B 622 -3.660 11.160 14.992 1.00 0.00 H new ATOM 1570 N ALA B 623 0.914 7.402 8.257 1.00 0.00 N ATOM 1571 CA ALA B 623 1.324 6.796 6.996 1.00 0.00 C ATOM 1572 C ALA B 623 2.157 5.541 7.235 1.00 0.00 C ATOM 1573 O ALA B 623 1.998 4.538 6.543 1.00 0.00 O ATOM 1574 CB ALA B 623 2.104 7.798 6.158 1.00 0.00 C ATOM 0 H ALA B 623 1.129 8.396 8.337 1.00 0.00 H new ATOM 0 HA ALA B 623 0.425 6.505 6.452 1.00 0.00 H new ATOM 0 HB1 ALA B 623 2.404 7.332 5.219 1.00 0.00 H new ATOM 0 HB2 ALA B 623 1.476 8.664 5.949 1.00 0.00 H new ATOM 0 HB3 ALA B 623 2.992 8.117 6.705 1.00 0.00 H new ATOM 1580 N GLY B 624 3.047 5.606 8.221 1.00 0.00 N ATOM 1581 CA GLY B 624 3.894 4.469 8.534 1.00 0.00 C ATOM 1582 C GLY B 624 3.093 3.219 8.843 1.00 0.00 C ATOM 1583 O GLY B 624 3.586 2.102 8.686 1.00 0.00 O ATOM 0 H GLY B 624 3.197 6.426 8.809 1.00 0.00 H new ATOM 0 HA2 GLY B 624 4.559 4.272 7.693 1.00 0.00 H new ATOM 0 HA3 GLY B 624 4.525 4.714 9.389 1.00 0.00 H new ATOM 1587 N THR B 625 1.855 3.407 9.287 1.00 0.00 N ATOM 1588 CA THR B 625 0.986 2.286 9.622 1.00 0.00 C ATOM 1589 C THR B 625 0.620 1.482 8.379 1.00 0.00 C ATOM 1590 O THR B 625 0.557 0.253 8.419 1.00 0.00 O ATOM 1591 CB THR B 625 -0.309 2.763 10.308 1.00 0.00 C ATOM 1592 OG1 THR B 625 0.007 3.450 11.525 1.00 0.00 O ATOM 1593 CG2 THR B 625 -1.229 1.589 10.606 1.00 0.00 C ATOM 0 H THR B 625 1.431 4.325 9.423 1.00 0.00 H new ATOM 0 HA THR B 625 1.543 1.652 10.312 1.00 0.00 H new ATOM 0 HB THR B 625 -0.824 3.443 9.630 1.00 0.00 H new ATOM 0 HG1 THR B 625 -0.820 3.752 11.955 1.00 0.00 H new ATOM 0 HG21 THR B 625 -2.136 1.951 11.090 1.00 0.00 H new ATOM 0 HG22 THR B 625 -1.491 1.086 9.675 1.00 0.00 H new ATOM 0 HG23 THR B 625 -0.721 0.887 11.267 1.00 0.00 H new ATOM 1601 N LEU B 626 0.382 2.183 7.276 1.00 0.00 N ATOM 1602 CA LEU B 626 0.024 1.533 6.020 1.00 0.00 C ATOM 1603 C LEU B 626 1.174 0.673 5.505 1.00 0.00 C ATOM 1604 O LEU B 626 0.967 -0.459 5.069 1.00 0.00 O ATOM 1605 CB LEU B 626 -0.354 2.581 4.971 1.00 0.00 C ATOM 1606 CG LEU B 626 -1.721 3.244 5.148 1.00 0.00 C ATOM 1607 CD1 LEU B 626 -2.815 2.193 5.249 1.00 0.00 C ATOM 1608 CD2 LEU B 626 -1.724 4.140 6.378 1.00 0.00 C ATOM 0 H LEU B 626 0.430 3.201 7.226 1.00 0.00 H new ATOM 0 HA LEU B 626 -0.834 0.887 6.205 1.00 0.00 H new ATOM 0 HB2 LEU B 626 0.408 3.360 4.973 1.00 0.00 H new ATOM 0 HB3 LEU B 626 -0.325 2.110 3.989 1.00 0.00 H new ATOM 0 HG LEU B 626 -1.920 3.862 4.273 1.00 0.00 H new ATOM 0 HD11 LEU B 626 -3.780 2.683 5.375 1.00 0.00 H new ATOM 0 HD12 LEU B 626 -2.828 1.593 4.339 1.00 0.00 H new ATOM 0 HD13 LEU B 626 -2.622 1.548 6.106 1.00 0.00 H new ATOM 0 HD21 LEU B 626 -2.704 4.603 6.488 1.00 0.00 H new ATOM 0 HD22 LEU B 626 -1.503 3.544 7.263 1.00 0.00 H new ATOM 0 HD23 LEU B 626 -0.967 4.916 6.265 1.00 0.00 H new ATOM 1619 N GLN B 627 2.385 1.219 5.559 1.00 0.00 N ATOM 1620 CA GLN B 627 3.567 0.500 5.099 1.00 0.00 C ATOM 1621 C GLN B 627 3.660 -0.872 5.757 1.00 0.00 C ATOM 1622 O GLN B 627 3.986 -1.863 5.104 1.00 0.00 O ATOM 1623 CB GLN B 627 4.830 1.310 5.397 1.00 0.00 C ATOM 1624 CG GLN B 627 5.957 1.067 4.407 1.00 0.00 C ATOM 1625 CD GLN B 627 6.438 2.343 3.744 1.00 0.00 C ATOM 1626 OE1 GLN B 627 6.421 2.464 2.519 1.00 0.00 O ATOM 1627 NE2 GLN B 627 6.868 3.304 4.553 1.00 0.00 N ATOM 0 H GLN B 627 2.573 2.156 5.916 1.00 0.00 H new ATOM 0 HA GLN B 627 3.480 0.360 4.022 1.00 0.00 H new ATOM 0 HB2 GLN B 627 4.580 2.371 5.396 1.00 0.00 H new ATOM 0 HB3 GLN B 627 5.180 1.066 6.400 1.00 0.00 H new ATOM 0 HG2 GLN B 627 6.792 0.593 4.923 1.00 0.00 H new ATOM 0 HG3 GLN B 627 5.618 0.370 3.641 1.00 0.00 H new ATOM 0 HE21 GLN B 627 6.864 3.160 5.563 1.00 0.00 H new ATOM 0 HE22 GLN B 627 7.202 4.186 4.165 1.00 0.00 H new ATOM 1634 N SER B 628 3.374 -0.921 7.054 1.00 0.00 N ATOM 1635 CA SER B 628 3.430 -2.173 7.802 1.00 0.00 C ATOM 1636 C SER B 628 2.218 -3.046 7.492 1.00 0.00 C ATOM 1637 O SER B 628 2.300 -4.274 7.519 1.00 0.00 O ATOM 1638 CB SER B 628 3.498 -1.890 9.304 1.00 0.00 C ATOM 1639 OG SER B 628 4.530 -0.965 9.603 1.00 0.00 O ATOM 0 H SER B 628 3.101 -0.110 7.609 1.00 0.00 H new ATOM 0 HA SER B 628 4.329 -2.710 7.499 1.00 0.00 H new ATOM 0 HB2 SER B 628 2.541 -1.495 9.647 1.00 0.00 H new ATOM 0 HB3 SER B 628 3.671 -2.820 9.845 1.00 0.00 H new ATOM 0 HG SER B 628 4.239 -0.061 9.361 1.00 0.00 H new ATOM 1644 N LEU B 629 1.093 -2.403 7.198 1.00 0.00 N ATOM 1645 CA LEU B 629 -0.138 -3.119 6.882 1.00 0.00 C ATOM 1646 C LEU B 629 -0.002 -3.883 5.569 1.00 0.00 C ATOM 1647 O LEU B 629 -0.261 -5.083 5.508 1.00 0.00 O ATOM 1648 CB LEU B 629 -1.312 -2.142 6.799 1.00 0.00 C ATOM 1649 CG LEU B 629 -2.641 -2.640 7.370 1.00 0.00 C ATOM 1650 CD1 LEU B 629 -3.005 -3.991 6.774 1.00 0.00 C ATOM 1651 CD2 LEU B 629 -2.569 -2.725 8.888 1.00 0.00 C ATOM 0 H LEU B 629 1.008 -1.387 7.172 1.00 0.00 H new ATOM 0 HA LEU B 629 -0.327 -3.837 7.680 1.00 0.00 H new ATOM 0 HB2 LEU B 629 -1.035 -1.227 7.322 1.00 0.00 H new ATOM 0 HB3 LEU B 629 -1.465 -1.877 5.753 1.00 0.00 H new ATOM 0 HG LEU B 629 -3.421 -1.927 7.102 1.00 0.00 H new ATOM 0 HD11 LEU B 629 -3.953 -4.329 7.192 1.00 0.00 H new ATOM 0 HD12 LEU B 629 -3.098 -3.898 5.692 1.00 0.00 H new ATOM 0 HD13 LEU B 629 -2.225 -4.715 7.011 1.00 0.00 H new ATOM 0 HD21 LEU B 629 -3.523 -3.081 9.278 1.00 0.00 H new ATOM 0 HD22 LEU B 629 -1.778 -3.417 9.177 1.00 0.00 H new ATOM 0 HD23 LEU B 629 -2.355 -1.738 9.298 1.00 0.00 H new ATOM 1662 N GLY B 630 0.409 -3.177 4.519 1.00 0.00 N ATOM 1663 CA GLY B 630 0.574 -3.805 3.222 1.00 0.00 C ATOM 1664 C GLY B 630 1.493 -5.009 3.274 1.00 0.00 C ATOM 1665 O GLY B 630 1.298 -5.979 2.541 1.00 0.00 O ATOM 0 H GLY B 630 0.630 -2.182 4.544 1.00 0.00 H new ATOM 0 HA2 GLY B 630 -0.401 -4.112 2.844 1.00 0.00 H new ATOM 0 HA3 GLY B 630 0.974 -3.076 2.517 1.00 0.00 H new ATOM 1669 N ALA B 631 2.498 -4.948 4.142 1.00 0.00 N ATOM 1670 CA ALA B 631 3.450 -6.043 4.285 1.00 0.00 C ATOM 1671 C ALA B 631 2.757 -7.313 4.767 1.00 0.00 C ATOM 1672 O ALA B 631 3.137 -8.420 4.386 1.00 0.00 O ATOM 1673 CB ALA B 631 4.563 -5.651 5.246 1.00 0.00 C ATOM 0 H ALA B 631 2.674 -4.153 4.756 1.00 0.00 H new ATOM 0 HA ALA B 631 3.884 -6.246 3.306 1.00 0.00 H new ATOM 0 HB1 ALA B 631 5.267 -6.477 5.344 1.00 0.00 H new ATOM 0 HB2 ALA B 631 5.084 -4.774 4.861 1.00 0.00 H new ATOM 0 HB3 ALA B 631 4.136 -5.420 6.222 1.00 0.00 H new ATOM 1679 N GLU B 632 1.739 -7.145 5.606 1.00 0.00 N ATOM 1680 CA GLU B 632 0.995 -8.280 6.140 1.00 0.00 C ATOM 1681 C GLU B 632 0.441 -9.146 5.012 1.00 0.00 C ATOM 1682 O GLU B 632 0.513 -10.374 5.066 1.00 0.00 O ATOM 1683 CB GLU B 632 -0.148 -7.794 7.033 1.00 0.00 C ATOM 1684 CG GLU B 632 0.287 -6.786 8.083 1.00 0.00 C ATOM 1685 CD GLU B 632 0.055 -7.280 9.498 1.00 0.00 C ATOM 1686 OE1 GLU B 632 0.637 -8.323 9.865 1.00 0.00 O ATOM 1687 OE2 GLU B 632 -0.708 -6.625 10.238 1.00 0.00 O ATOM 0 H GLU B 632 1.411 -6.235 5.930 1.00 0.00 H new ATOM 0 HA GLU B 632 1.680 -8.883 6.735 1.00 0.00 H new ATOM 0 HB2 GLU B 632 -0.920 -7.345 6.408 1.00 0.00 H new ATOM 0 HB3 GLU B 632 -0.599 -8.652 7.530 1.00 0.00 H new ATOM 0 HG2 GLU B 632 1.345 -6.562 7.949 1.00 0.00 H new ATOM 0 HG3 GLU B 632 -0.258 -5.854 7.934 1.00 0.00 H new ATOM 1692 N ILE B 633 -0.111 -8.497 3.992 1.00 0.00 N ATOM 1693 CA ILE B 633 -0.676 -9.207 2.852 1.00 0.00 C ATOM 1694 C ILE B 633 0.421 -9.795 1.972 1.00 0.00 C ATOM 1695 O ILE B 633 0.254 -10.865 1.386 1.00 0.00 O ATOM 1696 CB ILE B 633 -1.564 -8.283 1.997 1.00 0.00 C ATOM 1697 CG1 ILE B 633 -2.702 -7.708 2.844 1.00 0.00 C ATOM 1698 CG2 ILE B 633 -2.119 -9.040 0.799 1.00 0.00 C ATOM 1699 CD1 ILE B 633 -3.327 -6.463 2.251 1.00 0.00 C ATOM 0 H ILE B 633 -0.179 -7.481 3.932 1.00 0.00 H new ATOM 0 HA ILE B 633 -1.287 -10.014 3.255 1.00 0.00 H new ATOM 0 HB ILE B 633 -0.955 -7.457 1.629 1.00 0.00 H new ATOM 0 HG12 ILE B 633 -3.473 -8.469 2.967 1.00 0.00 H new ATOM 0 HG13 ILE B 633 -2.322 -7.476 3.839 1.00 0.00 H new ATOM 0 HG21 ILE B 633 -2.744 -8.373 0.205 1.00 0.00 H new ATOM 0 HG22 ILE B 633 -1.295 -9.406 0.187 1.00 0.00 H new ATOM 0 HG23 ILE B 633 -2.716 -9.883 1.146 1.00 0.00 H new ATOM 0 HD11 ILE B 633 -4.126 -6.111 2.904 1.00 0.00 H new ATOM 0 HD12 ILE B 633 -2.569 -5.686 2.154 1.00 0.00 H new ATOM 0 HD13 ILE B 633 -3.737 -6.695 1.268 1.00 0.00 H new ATOM 1710 N ALA B 634 1.544 -9.090 1.884 1.00 0.00 N ATOM 1711 CA ALA B 634 2.670 -9.545 1.078 1.00 0.00 C ATOM 1712 C ALA B 634 3.243 -10.849 1.621 1.00 0.00 C ATOM 1713 O ALA B 634 3.417 -11.818 0.882 1.00 0.00 O ATOM 1714 CB ALA B 634 3.749 -8.473 1.028 1.00 0.00 C ATOM 0 H ALA B 634 1.698 -8.202 2.361 1.00 0.00 H new ATOM 0 HA ALA B 634 2.309 -9.731 0.066 1.00 0.00 H new ATOM 0 HB1 ALA B 634 4.584 -8.825 0.423 1.00 0.00 H new ATOM 0 HB2 ALA B 634 3.339 -7.565 0.587 1.00 0.00 H new ATOM 0 HB3 ALA B 634 4.097 -8.260 2.039 1.00 0.00 H new ATOM 1720 N VAL B 635 3.537 -10.866 2.918 1.00 0.00 N ATOM 1721 CA VAL B 635 4.090 -12.053 3.560 1.00 0.00 C ATOM 1722 C VAL B 635 3.184 -13.262 3.355 1.00 0.00 C ATOM 1723 O VAL B 635 3.636 -14.321 2.922 1.00 0.00 O ATOM 1724 CB VAL B 635 4.295 -11.830 5.071 1.00 0.00 C ATOM 1725 CG1 VAL B 635 4.836 -13.089 5.728 1.00 0.00 C ATOM 1726 CG2 VAL B 635 5.224 -10.649 5.312 1.00 0.00 C ATOM 0 H VAL B 635 3.402 -10.072 3.544 1.00 0.00 H new ATOM 0 HA VAL B 635 5.056 -12.243 3.093 1.00 0.00 H new ATOM 0 HB VAL B 635 3.330 -11.602 5.523 1.00 0.00 H new ATOM 0 HG11 VAL B 635 4.974 -12.912 6.795 1.00 0.00 H new ATOM 0 HG12 VAL B 635 4.130 -13.907 5.584 1.00 0.00 H new ATOM 0 HG13 VAL B 635 5.793 -13.352 5.277 1.00 0.00 H new ATOM 0 HG21 VAL B 635 5.359 -10.505 6.384 1.00 0.00 H new ATOM 0 HG22 VAL B 635 6.191 -10.846 4.848 1.00 0.00 H new ATOM 0 HG23 VAL B 635 4.789 -9.749 4.877 1.00 0.00 H new ATOM 1736 N GLU B 636 1.903 -13.095 3.670 1.00 0.00 N ATOM 1737 CA GLU B 636 0.933 -14.174 3.519 1.00 0.00 C ATOM 1738 C GLU B 636 0.967 -14.743 2.103 1.00 0.00 C ATOM 1739 O GLU B 636 0.818 -15.948 1.905 1.00 0.00 O ATOM 1740 CB GLU B 636 -0.475 -13.673 3.847 1.00 0.00 C ATOM 1741 CG GLU B 636 -0.732 -13.514 5.336 1.00 0.00 C ATOM 1742 CD GLU B 636 -1.256 -14.784 5.977 1.00 0.00 C ATOM 1743 OE1 GLU B 636 -0.959 -15.879 5.453 1.00 0.00 O ATOM 1744 OE2 GLU B 636 -1.964 -14.685 7.000 1.00 0.00 O ATOM 0 H GLU B 636 1.513 -12.224 4.031 1.00 0.00 H new ATOM 0 HA GLU B 636 1.199 -14.968 4.216 1.00 0.00 H new ATOM 0 HB2 GLU B 636 -0.634 -12.714 3.355 1.00 0.00 H new ATOM 0 HB3 GLU B 636 -1.205 -14.369 3.433 1.00 0.00 H new ATOM 0 HG2 GLU B 636 0.193 -13.217 5.831 1.00 0.00 H new ATOM 0 HG3 GLU B 636 -1.450 -12.709 5.493 1.00 0.00 H new ATOM 1749 N GLN B 637 1.163 -13.865 1.124 1.00 0.00 N ATOM 1750 CA GLN B 637 1.214 -14.279 -0.273 1.00 0.00 C ATOM 1751 C GLN B 637 2.525 -14.996 -0.580 1.00 0.00 C ATOM 1752 O GLN B 637 2.570 -15.894 -1.420 1.00 0.00 O ATOM 1753 CB GLN B 637 1.055 -13.067 -1.192 1.00 0.00 C ATOM 1754 CG GLN B 637 1.890 -13.150 -2.459 1.00 0.00 C ATOM 1755 CD GLN B 637 3.306 -12.647 -2.259 1.00 0.00 C ATOM 1756 OE1 GLN B 637 3.519 -11.512 -1.832 1.00 0.00 O ATOM 1757 NE2 GLN B 637 4.283 -13.491 -2.568 1.00 0.00 N ATOM 0 H GLN B 637 1.289 -12.864 1.273 1.00 0.00 H new ATOM 0 HA GLN B 637 0.391 -14.972 -0.451 1.00 0.00 H new ATOM 0 HB2 GLN B 637 0.005 -12.964 -1.465 1.00 0.00 H new ATOM 0 HB3 GLN B 637 1.331 -12.167 -0.643 1.00 0.00 H new ATOM 0 HG2 GLN B 637 1.921 -14.184 -2.802 1.00 0.00 H new ATOM 0 HG3 GLN B 637 1.409 -12.568 -3.245 1.00 0.00 H new ATOM 0 HE21 GLN B 637 4.060 -14.423 -2.919 1.00 0.00 H new ATOM 0 HE22 GLN B 637 5.256 -13.208 -2.455 1.00 0.00 H new ATOM 1764 N ALA B 638 3.589 -14.592 0.106 1.00 0.00 N ATOM 1765 CA ALA B 638 4.901 -15.198 -0.094 1.00 0.00 C ATOM 1766 C ALA B 638 4.969 -16.580 0.545 1.00 0.00 C ATOM 1767 O ALA B 638 5.765 -17.426 0.135 1.00 0.00 O ATOM 1768 CB ALA B 638 5.988 -14.298 0.474 1.00 0.00 C ATOM 0 H ALA B 638 3.569 -13.849 0.804 1.00 0.00 H new ATOM 0 HA ALA B 638 5.063 -15.314 -1.166 1.00 0.00 H new ATOM 0 HB1 ALA B 638 6.962 -14.761 0.318 1.00 0.00 H new ATOM 0 HB2 ALA B 638 5.961 -13.332 -0.030 1.00 0.00 H new ATOM 0 HB3 ALA B 638 5.821 -14.155 1.542 1.00 0.00 H new ATOM 1774 N ALA B 639 4.132 -16.804 1.553 1.00 0.00 N ATOM 1775 CA ALA B 639 4.097 -18.085 2.248 1.00 0.00 C ATOM 1776 C ALA B 639 3.274 -19.108 1.472 1.00 0.00 C ATOM 1777 O ALA B 639 3.478 -20.315 1.607 1.00 0.00 O ATOM 1778 CB ALA B 639 3.539 -17.909 3.652 1.00 0.00 C ATOM 0 H ALA B 639 3.469 -16.114 1.907 1.00 0.00 H new ATOM 0 HA ALA B 639 5.118 -18.460 2.320 1.00 0.00 H new ATOM 0 HB1 ALA B 639 3.519 -18.874 4.159 1.00 0.00 H new ATOM 0 HB2 ALA B 639 4.171 -17.219 4.211 1.00 0.00 H new ATOM 0 HB3 ALA B 639 2.527 -17.508 3.594 1.00 0.00 H new ATOM 1784 N LEU B 640 2.342 -18.618 0.661 1.00 0.00 N ATOM 1785 CA LEU B 640 1.486 -19.490 -0.136 1.00 0.00 C ATOM 1786 C LEU B 640 1.868 -19.426 -1.611 1.00 0.00 C ATOM 1787 O LEU B 640 1.029 -19.633 -2.487 1.00 0.00 O ATOM 1788 CB LEU B 640 0.018 -19.098 0.041 1.00 0.00 C ATOM 1789 CG LEU B 640 -0.431 -18.811 1.475 1.00 0.00 C ATOM 1790 CD1 LEU B 640 -1.751 -18.055 1.480 1.00 0.00 C ATOM 1791 CD2 LEU B 640 -0.555 -20.107 2.264 1.00 0.00 C ATOM 0 H LEU B 640 2.160 -17.622 0.538 1.00 0.00 H new ATOM 0 HA LEU B 640 1.626 -20.513 0.213 1.00 0.00 H new ATOM 0 HB2 LEU B 640 -0.176 -18.212 -0.564 1.00 0.00 H new ATOM 0 HB3 LEU B 640 -0.602 -19.900 -0.359 1.00 0.00 H new ATOM 0 HG LEU B 640 0.324 -18.187 1.954 1.00 0.00 H new ATOM 0 HD11 LEU B 640 -2.055 -17.860 2.509 1.00 0.00 H new ATOM 0 HD12 LEU B 640 -1.631 -17.109 0.951 1.00 0.00 H new ATOM 0 HD13 LEU B 640 -2.515 -18.653 0.984 1.00 0.00 H new ATOM 0 HD21 LEU B 640 -0.875 -19.884 3.282 1.00 0.00 H new ATOM 0 HD22 LEU B 640 -1.290 -20.755 1.786 1.00 0.00 H new ATOM 0 HD23 LEU B 640 0.411 -20.611 2.290 1.00 0.00 H new ATOM 1802 N GLN B 641 3.138 -19.140 -1.877 1.00 0.00 N ATOM 1803 CA GLN B 641 3.630 -19.051 -3.248 1.00 0.00 C ATOM 1804 C GLN B 641 3.319 -20.327 -4.022 1.00 0.00 C ATOM 1805 O GLN B 641 2.970 -20.281 -5.201 1.00 0.00 O ATOM 1806 CB GLN B 641 5.137 -18.790 -3.255 1.00 0.00 C ATOM 1807 CG GLN B 641 5.516 -17.400 -2.768 1.00 0.00 C ATOM 1808 CD GLN B 641 5.434 -16.356 -3.863 1.00 0.00 C ATOM 1809 OE1 GLN B 641 6.451 -15.947 -4.425 1.00 0.00 O ATOM 1810 NE2 GLN B 641 4.220 -15.917 -4.173 1.00 0.00 N ATOM 0 H GLN B 641 3.845 -18.966 -1.163 1.00 0.00 H new ATOM 0 HA GLN B 641 3.122 -18.219 -3.736 1.00 0.00 H new ATOM 0 HB2 GLN B 641 5.629 -19.533 -2.627 1.00 0.00 H new ATOM 0 HB3 GLN B 641 5.516 -18.927 -4.268 1.00 0.00 H new ATOM 0 HG2 GLN B 641 4.857 -17.114 -1.948 1.00 0.00 H new ATOM 0 HG3 GLN B 641 6.530 -17.423 -2.368 1.00 0.00 H new ATOM 0 HE21 GLN B 641 3.404 -16.283 -3.682 1.00 0.00 H new ATOM 0 HE22 GLN B 641 4.103 -15.214 -4.902 1.00 0.00 H new ATOM 1817 N SER B 642 3.448 -21.467 -3.351 1.00 0.00 N ATOM 1818 CA SER B 642 3.185 -22.757 -3.977 1.00 0.00 C ATOM 1819 C SER B 642 1.727 -22.862 -4.415 1.00 0.00 C ATOM 1820 O SER B 642 1.398 -23.594 -5.348 1.00 0.00 O ATOM 1821 CB SER B 642 3.521 -23.894 -3.011 1.00 0.00 C ATOM 1822 OG SER B 642 3.103 -23.585 -1.693 1.00 0.00 O ATOM 0 H SER B 642 3.733 -21.523 -2.373 1.00 0.00 H new ATOM 0 HA SER B 642 3.819 -22.840 -4.860 1.00 0.00 H new ATOM 0 HB2 SER B 642 3.037 -24.812 -3.343 1.00 0.00 H new ATOM 0 HB3 SER B 642 4.595 -24.078 -3.021 1.00 0.00 H new ATOM 0 HG SER B 642 3.328 -24.329 -1.096 1.00 0.00 H new ATOM 1827 N ALA B 643 0.856 -22.123 -3.734 1.00 0.00 N ATOM 1828 CA ALA B 643 -0.566 -22.129 -4.053 1.00 0.00 C ATOM 1829 C ALA B 643 -0.849 -21.321 -5.315 1.00 0.00 C ATOM 1830 O ALA B 643 -1.778 -21.628 -6.063 1.00 0.00 O ATOM 1831 CB ALA B 643 -1.371 -21.584 -2.883 1.00 0.00 C ATOM 0 H ALA B 643 1.111 -21.513 -2.958 1.00 0.00 H new ATOM 0 HA ALA B 643 -0.868 -23.160 -4.238 1.00 0.00 H new ATOM 0 HB1 ALA B 643 -2.431 -21.594 -3.135 1.00 0.00 H new ATOM 0 HB2 ALA B 643 -1.201 -22.205 -2.004 1.00 0.00 H new ATOM 0 HB3 ALA B 643 -1.058 -20.562 -2.671 1.00 0.00 H new ATOM 1837 N TRP B 644 -0.044 -20.290 -5.545 1.00 0.00 N ATOM 1838 CA TRP B 644 -0.210 -19.438 -6.718 1.00 0.00 C ATOM 1839 C TRP B 644 -0.267 -20.271 -7.992 1.00 0.00 C ATOM 1840 O TRP B 644 0.344 -21.338 -8.075 1.00 0.00 O ATOM 1841 CB TRP B 644 0.936 -18.428 -6.804 1.00 0.00 C ATOM 1842 CG TRP B 644 0.606 -17.228 -7.639 1.00 0.00 C ATOM 1843 CD1 TRP B 644 0.688 -17.127 -8.999 1.00 0.00 C ATOM 1844 CD2 TRP B 644 0.145 -15.957 -7.168 1.00 0.00 C ATOM 1845 NE1 TRP B 644 0.305 -15.870 -9.401 1.00 0.00 N ATOM 1846 CE2 TRP B 644 -0.034 -15.133 -8.296 1.00 0.00 C ATOM 1847 CE3 TRP B 644 -0.136 -15.435 -5.902 1.00 0.00 C ATOM 1848 CZ2 TRP B 644 -0.479 -13.818 -8.195 1.00 0.00 C ATOM 1849 CZ3 TRP B 644 -0.578 -14.128 -5.803 1.00 0.00 C ATOM 1850 CH2 TRP B 644 -0.746 -13.333 -6.944 1.00 0.00 C ATOM 0 H TRP B 644 0.729 -20.024 -4.936 1.00 0.00 H new ATOM 0 HA TRP B 644 -1.153 -18.900 -6.617 1.00 0.00 H new ATOM 0 HB2 TRP B 644 1.199 -18.101 -5.798 1.00 0.00 H new ATOM 0 HB3 TRP B 644 1.815 -18.921 -7.219 1.00 0.00 H new ATOM 0 HD1 TRP B 644 1.007 -17.919 -9.661 1.00 0.00 H new ATOM 0 HE1 TRP B 644 0.277 -15.539 -10.365 1.00 0.00 H new ATOM 0 HE3 TRP B 644 -0.010 -16.041 -5.017 1.00 0.00 H new ATOM 0 HZ2 TRP B 644 -0.609 -13.203 -9.073 1.00 0.00 H new ATOM 0 HZ3 TRP B 644 -0.797 -13.714 -4.830 1.00 0.00 H new ATOM 0 HH2 TRP B 644 -1.093 -12.316 -6.834 1.00 0.00 H new ATOM 1860 N GLN B 645 -1.004 -19.781 -8.983 1.00 0.00 N ATOM 1861 CA GLN B 645 -1.141 -20.482 -10.254 1.00 0.00 C ATOM 1862 C GLN B 645 -0.117 -19.979 -11.266 1.00 0.00 C ATOM 1863 O GLN B 645 0.750 -20.729 -11.714 1.00 0.00 O ATOM 1864 CB GLN B 645 -2.555 -20.305 -10.809 1.00 0.00 C ATOM 1865 CG GLN B 645 -3.646 -20.750 -9.850 1.00 0.00 C ATOM 1866 CD GLN B 645 -3.840 -22.254 -9.845 1.00 0.00 C ATOM 1867 OE1 GLN B 645 -4.334 -22.831 -10.815 1.00 0.00 O ATOM 1868 NE2 GLN B 645 -3.451 -22.898 -8.751 1.00 0.00 N ATOM 0 H GLN B 645 -1.516 -18.900 -8.930 1.00 0.00 H new ATOM 0 HA GLN B 645 -0.959 -21.542 -10.077 1.00 0.00 H new ATOM 0 HB2 GLN B 645 -2.709 -19.255 -11.059 1.00 0.00 H new ATOM 0 HB3 GLN B 645 -2.646 -20.870 -11.736 1.00 0.00 H new ATOM 0 HG2 GLN B 645 -3.398 -20.416 -8.843 1.00 0.00 H new ATOM 0 HG3 GLN B 645 -4.584 -20.267 -10.124 1.00 0.00 H new ATOM 0 HE21 GLN B 645 -3.047 -22.380 -7.971 1.00 0.00 H new ATOM 0 HE22 GLN B 645 -3.556 -23.911 -8.691 1.00 0.00 H new ATOM 1875 N GLY B 646 -0.223 -18.703 -11.623 1.00 0.00 N ATOM 1876 CA GLY B 646 0.699 -18.121 -12.581 1.00 0.00 C ATOM 1877 C GLY B 646 0.194 -18.219 -14.006 1.00 0.00 C ATOM 1878 O GLY B 646 0.977 -18.161 -14.955 1.00 0.00 O ATOM 0 H GLY B 646 -0.931 -18.062 -11.266 1.00 0.00 H new ATOM 0 HA2 GLY B 646 0.866 -17.074 -12.329 1.00 0.00 H new ATOM 0 HA3 GLY B 646 1.663 -18.625 -12.505 1.00 0.00 H new ATOM 1882 N ASP B 647 -1.117 -18.372 -14.159 1.00 0.00 N ATOM 1883 CA ASP B 647 -1.726 -18.479 -15.479 1.00 0.00 C ATOM 1884 C ASP B 647 -3.095 -17.808 -15.502 1.00 0.00 C ATOM 1885 O ASP B 647 -3.964 -18.171 -16.297 1.00 0.00 O ATOM 1886 CB ASP B 647 -1.858 -19.948 -15.886 1.00 0.00 C ATOM 1887 CG ASP B 647 -2.547 -20.783 -14.825 1.00 0.00 C ATOM 1888 OD1 ASP B 647 -3.526 -20.290 -14.226 1.00 0.00 O ATOM 1889 OD2 ASP B 647 -2.108 -21.929 -14.592 1.00 0.00 O ATOM 0 H ASP B 647 -1.778 -18.425 -13.384 1.00 0.00 H new ATOM 0 HA ASP B 647 -1.079 -17.969 -16.192 1.00 0.00 H new ATOM 0 HB2 ASP B 647 -2.419 -20.015 -16.818 1.00 0.00 H new ATOM 0 HB3 ASP B 647 -0.867 -20.359 -16.081 1.00 0.00 H new ATOM 1893 N THR B 648 -3.284 -16.828 -14.624 1.00 0.00 N ATOM 1894 CA THR B 648 -4.548 -16.108 -14.541 1.00 0.00 C ATOM 1895 C THR B 648 -4.356 -14.625 -14.840 1.00 0.00 C ATOM 1896 O THR B 648 -5.261 -13.963 -15.348 1.00 0.00 O ATOM 1897 CB THR B 648 -5.192 -16.260 -13.150 1.00 0.00 C ATOM 1898 OG1 THR B 648 -4.436 -15.530 -12.177 1.00 0.00 O ATOM 1899 CG2 THR B 648 -5.267 -17.725 -12.746 1.00 0.00 C ATOM 0 H THR B 648 -2.576 -16.515 -13.960 1.00 0.00 H new ATOM 0 HA THR B 648 -5.210 -16.545 -15.289 1.00 0.00 H new ATOM 0 HB THR B 648 -6.205 -15.860 -13.197 1.00 0.00 H new ATOM 0 HG1 THR B 648 -3.705 -16.090 -11.843 1.00 0.00 H new ATOM 0 HG21 THR B 648 -5.725 -17.808 -11.760 1.00 0.00 H new ATOM 0 HG22 THR B 648 -5.868 -18.272 -13.472 1.00 0.00 H new ATOM 0 HG23 THR B 648 -4.262 -18.146 -12.715 1.00 0.00 H new ATOM 1907 N GLY B 649 -3.173 -14.110 -14.522 1.00 0.00 N ATOM 1908 CA GLY B 649 -2.884 -12.708 -14.764 1.00 0.00 C ATOM 1909 C GLY B 649 -1.535 -12.291 -14.215 1.00 0.00 C ATOM 1910 O GLY B 649 -0.560 -12.189 -14.960 1.00 0.00 O ATOM 0 H GLY B 649 -2.409 -14.638 -14.101 1.00 0.00 H new ATOM 0 HA2 GLY B 649 -2.912 -12.514 -15.836 1.00 0.00 H new ATOM 0 HA3 GLY B 649 -3.663 -12.096 -14.309 1.00 0.00 H new ATOM 1914 N ILE B 650 -1.479 -12.046 -12.910 1.00 0.00 N ATOM 1915 CA ILE B 650 -0.239 -11.636 -12.263 1.00 0.00 C ATOM 1916 C ILE B 650 0.517 -12.841 -11.712 1.00 0.00 C ATOM 1917 O ILE B 650 -0.086 -13.800 -11.231 1.00 0.00 O ATOM 1918 CB ILE B 650 -0.504 -10.642 -11.117 1.00 0.00 C ATOM 1919 CG1 ILE B 650 -1.228 -9.402 -11.646 1.00 0.00 C ATOM 1920 CG2 ILE B 650 0.802 -10.252 -10.442 1.00 0.00 C ATOM 1921 CD1 ILE B 650 -1.519 -8.371 -10.577 1.00 0.00 C ATOM 0 H ILE B 650 -2.278 -12.124 -12.280 1.00 0.00 H new ATOM 0 HA ILE B 650 0.368 -11.146 -13.024 1.00 0.00 H new ATOM 0 HB ILE B 650 -1.143 -11.124 -10.377 1.00 0.00 H new ATOM 0 HG12 ILE B 650 -0.622 -8.943 -12.427 1.00 0.00 H new ATOM 0 HG13 ILE B 650 -2.166 -9.709 -12.109 1.00 0.00 H new ATOM 0 HG21 ILE B 650 0.598 -9.549 -9.634 1.00 0.00 H new ATOM 0 HG22 ILE B 650 1.282 -11.142 -10.036 1.00 0.00 H new ATOM 0 HG23 ILE B 650 1.463 -9.785 -11.172 1.00 0.00 H new ATOM 0 HD11 ILE B 650 -2.033 -7.520 -11.023 1.00 0.00 H new ATOM 0 HD12 ILE B 650 -2.151 -8.814 -9.807 1.00 0.00 H new ATOM 0 HD13 ILE B 650 -0.583 -8.036 -10.130 1.00 0.00 H new ATOM 1932 N THR B 651 1.843 -12.783 -11.783 1.00 0.00 N ATOM 1933 CA THR B 651 2.684 -13.867 -11.291 1.00 0.00 C ATOM 1934 C THR B 651 3.214 -13.562 -9.895 1.00 0.00 C ATOM 1935 O THR B 651 3.052 -12.451 -9.388 1.00 0.00 O ATOM 1936 CB THR B 651 3.873 -14.129 -12.234 1.00 0.00 C ATOM 1937 OG1 THR B 651 3.580 -13.629 -13.543 1.00 0.00 O ATOM 1938 CG2 THR B 651 4.186 -15.615 -12.312 1.00 0.00 C ATOM 0 H THR B 651 2.358 -11.996 -12.177 1.00 0.00 H new ATOM 0 HA THR B 651 2.058 -14.759 -11.252 1.00 0.00 H new ATOM 0 HB THR B 651 4.745 -13.611 -11.834 1.00 0.00 H new ATOM 0 HG1 THR B 651 4.342 -13.798 -14.136 1.00 0.00 H new ATOM 0 HG21 THR B 651 5.029 -15.774 -12.984 1.00 0.00 H new ATOM 0 HG22 THR B 651 4.438 -15.986 -11.319 1.00 0.00 H new ATOM 0 HG23 THR B 651 3.315 -16.151 -12.689 1.00 0.00 H new ATOM 1946 N TYR B 652 3.846 -14.554 -9.277 1.00 0.00 N ATOM 1947 CA TYR B 652 4.400 -14.392 -7.938 1.00 0.00 C ATOM 1948 C TYR B 652 5.514 -13.350 -7.932 1.00 0.00 C ATOM 1949 O TYR B 652 5.637 -12.563 -6.993 1.00 0.00 O ATOM 1950 CB TYR B 652 4.932 -15.728 -7.418 1.00 0.00 C ATOM 1951 CG TYR B 652 6.060 -16.295 -8.249 1.00 0.00 C ATOM 1952 CD1 TYR B 652 5.800 -17.116 -9.340 1.00 0.00 C ATOM 1953 CD2 TYR B 652 7.385 -16.012 -7.944 1.00 0.00 C ATOM 1954 CE1 TYR B 652 6.827 -17.637 -10.103 1.00 0.00 C ATOM 1955 CE2 TYR B 652 8.419 -16.528 -8.702 1.00 0.00 C ATOM 1956 CZ TYR B 652 8.135 -17.340 -9.780 1.00 0.00 C ATOM 1957 OH TYR B 652 9.161 -17.857 -10.536 1.00 0.00 O ATOM 0 H TYR B 652 3.987 -15.479 -9.682 1.00 0.00 H new ATOM 0 HA TYR B 652 3.601 -14.047 -7.281 1.00 0.00 H new ATOM 0 HB2 TYR B 652 5.277 -15.598 -6.392 1.00 0.00 H new ATOM 0 HB3 TYR B 652 4.115 -16.449 -7.390 1.00 0.00 H new ATOM 0 HD1 TYR B 652 4.777 -17.351 -9.596 1.00 0.00 H new ATOM 0 HD2 TYR B 652 7.611 -15.378 -7.100 1.00 0.00 H new ATOM 0 HE1 TYR B 652 6.607 -18.273 -10.948 1.00 0.00 H new ATOM 0 HE2 TYR B 652 9.444 -16.297 -8.452 1.00 0.00 H new ATOM 0 HH TYR B 652 10.019 -17.551 -10.176 1.00 0.00 H new ATOM 1966 N GLN B 653 6.323 -13.351 -8.987 1.00 0.00 N ATOM 1967 CA GLN B 653 7.428 -12.407 -9.103 1.00 0.00 C ATOM 1968 C GLN B 653 6.915 -11.006 -9.421 1.00 0.00 C ATOM 1969 O GLN B 653 7.387 -10.019 -8.858 1.00 0.00 O ATOM 1970 CB GLN B 653 8.405 -12.864 -10.187 1.00 0.00 C ATOM 1971 CG GLN B 653 7.757 -13.054 -11.549 1.00 0.00 C ATOM 1972 CD GLN B 653 7.941 -11.855 -12.456 1.00 0.00 C ATOM 1973 OE1 GLN B 653 6.971 -11.286 -12.957 1.00 0.00 O ATOM 1974 NE2 GLN B 653 9.192 -11.462 -12.673 1.00 0.00 N ATOM 0 H GLN B 653 6.234 -13.995 -9.773 1.00 0.00 H new ATOM 0 HA GLN B 653 7.948 -12.375 -8.146 1.00 0.00 H new ATOM 0 HB2 GLN B 653 9.207 -12.131 -10.274 1.00 0.00 H new ATOM 0 HB3 GLN B 653 8.864 -13.803 -9.878 1.00 0.00 H new ATOM 0 HG2 GLN B 653 8.181 -13.936 -12.029 1.00 0.00 H new ATOM 0 HG3 GLN B 653 6.692 -13.244 -11.417 1.00 0.00 H new ATOM 0 HE21 GLN B 653 9.967 -11.963 -12.237 1.00 0.00 H new ATOM 0 HE22 GLN B 653 9.377 -10.660 -13.275 1.00 0.00 H new ATOM 1981 N ALA B 654 5.946 -10.927 -10.327 1.00 0.00 N ATOM 1982 CA ALA B 654 5.368 -9.647 -10.719 1.00 0.00 C ATOM 1983 C ALA B 654 4.584 -9.025 -9.570 1.00 0.00 C ATOM 1984 O ALA B 654 4.763 -7.850 -9.249 1.00 0.00 O ATOM 1985 CB ALA B 654 4.474 -9.823 -11.937 1.00 0.00 C ATOM 0 H ALA B 654 5.544 -11.735 -10.804 1.00 0.00 H new ATOM 0 HA ALA B 654 6.183 -8.971 -10.976 1.00 0.00 H new ATOM 0 HB1 ALA B 654 4.049 -8.860 -12.219 1.00 0.00 H new ATOM 0 HB2 ALA B 654 5.062 -10.217 -12.766 1.00 0.00 H new ATOM 0 HB3 ALA B 654 3.669 -10.519 -11.700 1.00 0.00 H new ATOM 1991 N TRP B 655 3.715 -9.818 -8.954 1.00 0.00 N ATOM 1992 CA TRP B 655 2.901 -9.344 -7.841 1.00 0.00 C ATOM 1993 C TRP B 655 3.776 -8.747 -6.744 1.00 0.00 C ATOM 1994 O TRP B 655 3.566 -7.610 -6.321 1.00 0.00 O ATOM 1995 CB TRP B 655 2.060 -10.487 -7.272 1.00 0.00 C ATOM 1996 CG TRP B 655 0.966 -10.024 -6.359 1.00 0.00 C ATOM 1997 CD1 TRP B 655 -0.347 -9.835 -6.683 1.00 0.00 C ATOM 1998 CD2 TRP B 655 1.092 -9.687 -4.973 1.00 0.00 C ATOM 1999 NE1 TRP B 655 -1.045 -9.402 -5.580 1.00 0.00 N ATOM 2000 CE2 TRP B 655 -0.186 -9.304 -4.519 1.00 0.00 C ATOM 2001 CE3 TRP B 655 2.159 -9.675 -4.070 1.00 0.00 C ATOM 2002 CZ2 TRP B 655 -0.421 -8.912 -3.205 1.00 0.00 C ATOM 2003 CZ3 TRP B 655 1.923 -9.284 -2.766 1.00 0.00 C ATOM 2004 CH2 TRP B 655 0.641 -8.909 -2.342 1.00 0.00 C ATOM 0 H TRP B 655 3.556 -10.793 -9.207 1.00 0.00 H new ATOM 0 HA TRP B 655 2.236 -8.566 -8.216 1.00 0.00 H new ATOM 0 HB2 TRP B 655 1.622 -11.050 -8.096 1.00 0.00 H new ATOM 0 HB3 TRP B 655 2.711 -11.172 -6.729 1.00 0.00 H new ATOM 0 HD1 TRP B 655 -0.774 -10.001 -7.661 1.00 0.00 H new ATOM 0 HE1 TRP B 655 -2.042 -9.188 -5.556 1.00 0.00 H new ATOM 0 HE3 TRP B 655 3.150 -9.966 -4.386 1.00 0.00 H new ATOM 0 HZ2 TRP B 655 -1.408 -8.620 -2.877 1.00 0.00 H new ATOM 0 HZ3 TRP B 655 2.741 -9.267 -2.061 1.00 0.00 H new ATOM 0 HH2 TRP B 655 0.488 -8.612 -1.315 1.00 0.00 H new ATOM 2014 N GLN B 656 4.757 -9.520 -6.288 1.00 0.00 N ATOM 2015 CA GLN B 656 5.663 -9.065 -5.240 1.00 0.00 C ATOM 2016 C GLN B 656 6.273 -7.714 -5.596 1.00 0.00 C ATOM 2017 O GLN B 656 6.598 -6.918 -4.715 1.00 0.00 O ATOM 2018 CB GLN B 656 6.772 -10.095 -5.013 1.00 0.00 C ATOM 2019 CG GLN B 656 6.309 -11.329 -4.257 1.00 0.00 C ATOM 2020 CD GLN B 656 6.966 -11.460 -2.896 1.00 0.00 C ATOM 2021 OE1 GLN B 656 6.865 -10.563 -2.057 1.00 0.00 O ATOM 2022 NE2 GLN B 656 7.643 -12.580 -2.670 1.00 0.00 N ATOM 0 H GLN B 656 4.944 -10.463 -6.628 1.00 0.00 H new ATOM 0 HA GLN B 656 5.088 -8.952 -4.321 1.00 0.00 H new ATOM 0 HB2 GLN B 656 7.176 -10.401 -5.978 1.00 0.00 H new ATOM 0 HB3 GLN B 656 7.586 -9.625 -4.461 1.00 0.00 H new ATOM 0 HG2 GLN B 656 5.227 -11.289 -4.132 1.00 0.00 H new ATOM 0 HG3 GLN B 656 6.529 -12.217 -4.849 1.00 0.00 H new ATOM 0 HE21 GLN B 656 7.700 -13.296 -3.394 1.00 0.00 H new ATOM 0 HE22 GLN B 656 8.106 -12.724 -1.772 1.00 0.00 H new ATOM 2029 N ALA B 657 6.427 -7.462 -6.891 1.00 0.00 N ATOM 2030 CA ALA B 657 6.996 -6.206 -7.364 1.00 0.00 C ATOM 2031 C ALA B 657 5.948 -5.098 -7.375 1.00 0.00 C ATOM 2032 O ALA B 657 6.156 -4.030 -6.799 1.00 0.00 O ATOM 2033 CB ALA B 657 7.592 -6.385 -8.752 1.00 0.00 C ATOM 0 H ALA B 657 6.165 -8.112 -7.633 1.00 0.00 H new ATOM 0 HA ALA B 657 7.789 -5.914 -6.676 1.00 0.00 H new ATOM 0 HB1 ALA B 657 8.013 -5.439 -9.092 1.00 0.00 H new ATOM 0 HB2 ALA B 657 8.378 -7.140 -8.716 1.00 0.00 H new ATOM 0 HB3 ALA B 657 6.813 -6.705 -9.444 1.00 0.00 H new ATOM 2039 N GLN B 658 4.825 -5.360 -8.034 1.00 0.00 N ATOM 2040 CA GLN B 658 3.746 -4.382 -8.121 1.00 0.00 C ATOM 2041 C GLN B 658 3.291 -3.949 -6.731 1.00 0.00 C ATOM 2042 O GLN B 658 3.193 -2.756 -6.444 1.00 0.00 O ATOM 2043 CB GLN B 658 2.564 -4.964 -8.898 1.00 0.00 C ATOM 2044 CG GLN B 658 2.676 -4.779 -10.403 1.00 0.00 C ATOM 2045 CD GLN B 658 1.694 -5.643 -11.172 1.00 0.00 C ATOM 2046 OE1 GLN B 658 0.698 -5.149 -11.701 1.00 0.00 O ATOM 2047 NE2 GLN B 658 1.973 -6.940 -11.238 1.00 0.00 N ATOM 0 H GLN B 658 4.638 -6.240 -8.515 1.00 0.00 H new ATOM 0 HA GLN B 658 4.124 -3.507 -8.649 1.00 0.00 H new ATOM 0 HB2 GLN B 658 2.482 -6.028 -8.676 1.00 0.00 H new ATOM 0 HB3 GLN B 658 1.644 -4.494 -8.550 1.00 0.00 H new ATOM 0 HG2 GLN B 658 2.504 -3.732 -10.650 1.00 0.00 H new ATOM 0 HG3 GLN B 658 3.691 -5.019 -10.720 1.00 0.00 H new ATOM 0 HE21 GLN B 658 2.810 -7.305 -10.784 1.00 0.00 H new ATOM 0 HE22 GLN B 658 1.350 -7.571 -11.743 1.00 0.00 H new ATOM 2054 N TRP B 659 3.015 -4.925 -5.874 1.00 0.00 N ATOM 2055 CA TRP B 659 2.569 -4.643 -4.513 1.00 0.00 C ATOM 2056 C TRP B 659 3.520 -3.674 -3.819 1.00 0.00 C ATOM 2057 O TRP B 659 3.093 -2.664 -3.261 1.00 0.00 O ATOM 2058 CB TRP B 659 2.466 -5.940 -3.710 1.00 0.00 C ATOM 2059 CG TRP B 659 1.904 -5.744 -2.335 1.00 0.00 C ATOM 2060 CD1 TRP B 659 2.609 -5.592 -1.175 1.00 0.00 C ATOM 2061 CD2 TRP B 659 0.519 -5.681 -1.976 1.00 0.00 C ATOM 2062 NE1 TRP B 659 1.745 -5.438 -0.117 1.00 0.00 N ATOM 2063 CE2 TRP B 659 0.458 -5.488 -0.582 1.00 0.00 C ATOM 2064 CE3 TRP B 659 -0.675 -5.766 -2.697 1.00 0.00 C ATOM 2065 CZ2 TRP B 659 -0.750 -5.381 0.102 1.00 0.00 C ATOM 2066 CZ3 TRP B 659 -1.873 -5.659 -2.017 1.00 0.00 C ATOM 2067 CH2 TRP B 659 -1.903 -5.468 -0.629 1.00 0.00 C ATOM 0 H TRP B 659 3.092 -5.918 -6.096 1.00 0.00 H new ATOM 0 HA TRP B 659 1.584 -4.179 -4.568 1.00 0.00 H new ATOM 0 HB2 TRP B 659 1.839 -6.647 -4.254 1.00 0.00 H new ATOM 0 HB3 TRP B 659 3.456 -6.389 -3.630 1.00 0.00 H new ATOM 0 HD1 TRP B 659 3.686 -5.593 -1.100 1.00 0.00 H new ATOM 0 HE1 TRP B 659 2.018 -5.308 0.857 1.00 0.00 H new ATOM 0 HE3 TRP B 659 -0.662 -5.913 -3.767 1.00 0.00 H new ATOM 0 HZ2 TRP B 659 -0.776 -5.235 1.172 1.00 0.00 H new ATOM 0 HZ3 TRP B 659 -2.802 -5.724 -2.564 1.00 0.00 H new ATOM 0 HH2 TRP B 659 -2.856 -5.388 -0.126 1.00 0.00 H new ATOM 2077 N ASN B 660 4.810 -3.988 -3.858 1.00 0.00 N ATOM 2078 CA ASN B 660 5.821 -3.145 -3.232 1.00 0.00 C ATOM 2079 C ASN B 660 5.683 -1.696 -3.691 1.00 0.00 C ATOM 2080 O ASN B 660 5.477 -0.795 -2.878 1.00 0.00 O ATOM 2081 CB ASN B 660 7.224 -3.663 -3.561 1.00 0.00 C ATOM 2082 CG ASN B 660 8.065 -3.880 -2.318 1.00 0.00 C ATOM 2083 OD1 ASN B 660 7.812 -4.795 -1.534 1.00 0.00 O ATOM 2084 ND2 ASN B 660 9.075 -3.036 -2.133 1.00 0.00 N ATOM 0 H ASN B 660 5.180 -4.820 -4.317 1.00 0.00 H new ATOM 0 HA ASN B 660 5.670 -3.182 -2.153 1.00 0.00 H new ATOM 0 HB2 ASN B 660 7.143 -4.601 -4.110 1.00 0.00 H new ATOM 0 HB3 ASN B 660 7.726 -2.952 -4.217 1.00 0.00 H new ATOM 0 HD21 ASN B 660 9.677 -3.132 -1.315 1.00 0.00 H new ATOM 0 HD22 ASN B 660 9.248 -2.292 -2.809 1.00 0.00 H new ATOM 2090 N GLN B 661 5.796 -1.482 -4.998 1.00 0.00 N ATOM 2091 CA GLN B 661 5.682 -0.144 -5.565 1.00 0.00 C ATOM 2092 C GLN B 661 4.393 0.533 -5.110 1.00 0.00 C ATOM 2093 O GLN B 661 4.399 1.697 -4.711 1.00 0.00 O ATOM 2094 CB GLN B 661 5.726 -0.209 -7.093 1.00 0.00 C ATOM 2095 CG GLN B 661 7.089 -0.593 -7.645 1.00 0.00 C ATOM 2096 CD GLN B 661 8.171 0.401 -7.274 1.00 0.00 C ATOM 2097 OE1 GLN B 661 7.896 1.578 -7.039 1.00 0.00 O ATOM 2098 NE2 GLN B 661 9.413 -0.069 -7.217 1.00 0.00 N ATOM 0 H GLN B 661 5.966 -2.218 -5.684 1.00 0.00 H new ATOM 0 HA GLN B 661 6.526 0.447 -5.209 1.00 0.00 H new ATOM 0 HB2 GLN B 661 4.986 -0.931 -7.439 1.00 0.00 H new ATOM 0 HB3 GLN B 661 5.439 0.761 -7.498 1.00 0.00 H new ATOM 0 HG2 GLN B 661 7.363 -1.579 -7.271 1.00 0.00 H new ATOM 0 HG3 GLN B 661 7.028 -0.670 -8.731 1.00 0.00 H new ATOM 0 HE21 GLN B 661 9.596 -1.052 -7.419 1.00 0.00 H new ATOM 0 HE22 GLN B 661 10.183 0.553 -6.971 1.00 0.00 H new ATOM 2105 N ALA B 662 3.289 -0.205 -5.174 1.00 0.00 N ATOM 2106 CA ALA B 662 1.993 0.323 -4.767 1.00 0.00 C ATOM 2107 C ALA B 662 2.022 0.791 -3.316 1.00 0.00 C ATOM 2108 O ALA B 662 1.678 1.934 -3.015 1.00 0.00 O ATOM 2109 CB ALA B 662 0.910 -0.727 -4.965 1.00 0.00 C ATOM 0 H ALA B 662 3.267 -1.170 -5.504 1.00 0.00 H new ATOM 0 HA ALA B 662 1.766 1.185 -5.394 1.00 0.00 H new ATOM 0 HB1 ALA B 662 -0.053 -0.319 -4.657 1.00 0.00 H new ATOM 0 HB2 ALA B 662 0.865 -1.009 -6.017 1.00 0.00 H new ATOM 0 HB3 ALA B 662 1.141 -1.606 -4.363 1.00 0.00 H new ATOM 2115 N MET B 663 2.433 -0.101 -2.419 1.00 0.00 N ATOM 2116 CA MET B 663 2.506 0.222 -0.999 1.00 0.00 C ATOM 2117 C MET B 663 3.294 1.508 -0.774 1.00 0.00 C ATOM 2118 O MET B 663 2.835 2.412 -0.077 1.00 0.00 O ATOM 2119 CB MET B 663 3.152 -0.930 -0.225 1.00 0.00 C ATOM 2120 CG MET B 663 2.227 -1.571 0.795 1.00 0.00 C ATOM 2121 SD MET B 663 1.661 -0.405 2.048 1.00 0.00 S ATOM 2122 CE MET B 663 -0.116 -0.564 1.881 1.00 0.00 C ATOM 0 H MET B 663 2.720 -1.052 -2.651 1.00 0.00 H new ATOM 0 HA MET B 663 1.490 0.371 -0.632 1.00 0.00 H new ATOM 0 HB2 MET B 663 3.483 -1.691 -0.932 1.00 0.00 H new ATOM 0 HB3 MET B 663 4.041 -0.560 0.285 1.00 0.00 H new ATOM 0 HG2 MET B 663 1.364 -1.994 0.281 1.00 0.00 H new ATOM 0 HG3 MET B 663 2.745 -2.398 1.281 1.00 0.00 H new ATOM 0 HE1 MET B 663 -0.595 -0.302 2.824 1.00 0.00 H new ATOM 0 HE2 MET B 663 -0.469 0.105 1.096 1.00 0.00 H new ATOM 0 HE3 MET B 663 -0.366 -1.592 1.621 1.00 0.00 H new ATOM 2130 N GLU B 664 4.482 1.580 -1.366 1.00 0.00 N ATOM 2131 CA GLU B 664 5.333 2.755 -1.228 1.00 0.00 C ATOM 2132 C GLU B 664 4.587 4.020 -1.643 1.00 0.00 C ATOM 2133 O GLU B 664 4.739 5.074 -1.026 1.00 0.00 O ATOM 2134 CB GLU B 664 6.600 2.597 -2.073 1.00 0.00 C ATOM 2135 CG GLU B 664 7.593 3.734 -1.899 1.00 0.00 C ATOM 2136 CD GLU B 664 8.876 3.512 -2.677 1.00 0.00 C ATOM 2137 OE1 GLU B 664 8.939 2.531 -3.447 1.00 0.00 O ATOM 2138 OE2 GLU B 664 9.816 4.318 -2.515 1.00 0.00 O ATOM 0 H GLU B 664 4.876 0.839 -1.945 1.00 0.00 H new ATOM 0 HA GLU B 664 5.613 2.847 -0.179 1.00 0.00 H new ATOM 0 HB2 GLU B 664 7.087 1.658 -1.811 1.00 0.00 H new ATOM 0 HB3 GLU B 664 6.319 2.528 -3.124 1.00 0.00 H new ATOM 0 HG2 GLU B 664 7.132 4.667 -2.224 1.00 0.00 H new ATOM 0 HG3 GLU B 664 7.829 3.847 -0.841 1.00 0.00 H new ATOM 2143 N ASP B 665 3.781 3.906 -2.693 1.00 0.00 N ATOM 2144 CA ASP B 665 3.010 5.040 -3.191 1.00 0.00 C ATOM 2145 C ASP B 665 1.962 5.474 -2.171 1.00 0.00 C ATOM 2146 O ASP B 665 1.805 6.665 -1.895 1.00 0.00 O ATOM 2147 CB ASP B 665 2.333 4.681 -4.514 1.00 0.00 C ATOM 2148 CG ASP B 665 1.807 5.901 -5.245 1.00 0.00 C ATOM 2149 OD1 ASP B 665 1.751 6.985 -4.627 1.00 0.00 O ATOM 2150 OD2 ASP B 665 1.451 5.772 -6.435 1.00 0.00 O ATOM 0 H ASP B 665 3.644 3.041 -3.216 1.00 0.00 H new ATOM 0 HA ASP B 665 3.696 5.871 -3.356 1.00 0.00 H new ATOM 0 HB2 ASP B 665 3.044 4.157 -5.152 1.00 0.00 H new ATOM 0 HB3 ASP B 665 1.510 3.993 -4.323 1.00 0.00 H new ATOM 2154 N LEU B 666 1.247 4.503 -1.614 1.00 0.00 N ATOM 2155 CA LEU B 666 0.213 4.785 -0.624 1.00 0.00 C ATOM 2156 C LEU B 666 0.801 5.496 0.590 1.00 0.00 C ATOM 2157 O LEU B 666 0.224 6.457 1.099 1.00 0.00 O ATOM 2158 CB LEU B 666 -0.471 3.487 -0.189 1.00 0.00 C ATOM 2159 CG LEU B 666 -1.619 3.003 -1.075 1.00 0.00 C ATOM 2160 CD1 LEU B 666 -1.092 2.541 -2.425 1.00 0.00 C ATOM 2161 CD2 LEU B 666 -2.387 1.884 -0.389 1.00 0.00 C ATOM 0 H LEU B 666 1.364 3.513 -1.831 1.00 0.00 H new ATOM 0 HA LEU B 666 -0.526 5.442 -1.083 1.00 0.00 H new ATOM 0 HB2 LEU B 666 0.282 2.701 -0.143 1.00 0.00 H new ATOM 0 HB3 LEU B 666 -0.852 3.622 0.823 1.00 0.00 H new ATOM 0 HG LEU B 666 -2.302 3.836 -1.240 1.00 0.00 H new ATOM 0 HD11 LEU B 666 -1.923 2.200 -3.043 1.00 0.00 H new ATOM 0 HD12 LEU B 666 -0.587 3.370 -2.921 1.00 0.00 H new ATOM 0 HD13 LEU B 666 -0.388 1.722 -2.280 1.00 0.00 H new ATOM 0 HD21 LEU B 666 -3.200 1.552 -1.034 1.00 0.00 H new ATOM 0 HD22 LEU B 666 -1.715 1.048 -0.193 1.00 0.00 H new ATOM 0 HD23 LEU B 666 -2.797 2.248 0.553 1.00 0.00 H new ATOM 2172 N VAL B 667 1.954 5.018 1.049 1.00 0.00 N ATOM 2173 CA VAL B 667 2.621 5.610 2.201 1.00 0.00 C ATOM 2174 C VAL B 667 2.980 7.069 1.940 1.00 0.00 C ATOM 2175 O VAL B 667 2.664 7.950 2.739 1.00 0.00 O ATOM 2176 CB VAL B 667 3.902 4.836 2.566 1.00 0.00 C ATOM 2177 CG1 VAL B 667 4.466 5.331 3.890 1.00 0.00 C ATOM 2178 CG2 VAL B 667 3.623 3.342 2.622 1.00 0.00 C ATOM 0 H VAL B 667 2.445 4.223 0.640 1.00 0.00 H new ATOM 0 HA VAL B 667 1.921 5.555 3.034 1.00 0.00 H new ATOM 0 HB VAL B 667 4.647 5.015 1.791 1.00 0.00 H new ATOM 0 HG11 VAL B 667 5.371 4.773 4.132 1.00 0.00 H new ATOM 0 HG12 VAL B 667 4.705 6.392 3.810 1.00 0.00 H new ATOM 0 HG13 VAL B 667 3.727 5.184 4.678 1.00 0.00 H new ATOM 0 HG21 VAL B 667 4.539 2.810 2.881 1.00 0.00 H new ATOM 0 HG22 VAL B 667 2.862 3.142 3.376 1.00 0.00 H new ATOM 0 HG23 VAL B 667 3.269 3.001 1.649 1.00 0.00 H new ATOM 2188 N ARG B 668 3.644 7.317 0.815 1.00 0.00 N ATOM 2189 CA ARG B 668 4.045 8.669 0.447 1.00 0.00 C ATOM 2190 C ARG B 668 2.826 9.545 0.176 1.00 0.00 C ATOM 2191 O ARG B 668 2.851 10.751 0.415 1.00 0.00 O ATOM 2192 CB ARG B 668 4.950 8.637 -0.787 1.00 0.00 C ATOM 2193 CG ARG B 668 6.323 8.044 -0.521 1.00 0.00 C ATOM 2194 CD ARG B 668 7.134 7.921 -1.801 1.00 0.00 C ATOM 2195 NE ARG B 668 8.527 8.320 -1.608 1.00 0.00 N ATOM 2196 CZ ARG B 668 8.910 9.576 -1.411 1.00 0.00 C ATOM 2197 NH1 ARG B 668 8.012 10.550 -1.382 1.00 0.00 N ATOM 2198 NH2 ARG B 668 10.195 9.859 -1.243 1.00 0.00 N ATOM 0 H ARG B 668 3.915 6.599 0.143 1.00 0.00 H new ATOM 0 HA ARG B 668 4.597 9.097 1.283 1.00 0.00 H new ATOM 0 HB2 ARG B 668 4.460 8.060 -1.571 1.00 0.00 H new ATOM 0 HB3 ARG B 668 5.069 9.652 -1.166 1.00 0.00 H new ATOM 0 HG2 ARG B 668 6.859 8.670 0.192 1.00 0.00 H new ATOM 0 HG3 ARG B 668 6.213 7.061 -0.063 1.00 0.00 H new ATOM 0 HD2 ARG B 668 7.098 6.891 -2.155 1.00 0.00 H new ATOM 0 HD3 ARG B 668 6.684 8.541 -2.576 1.00 0.00 H new ATOM 0 HE ARG B 668 9.244 7.594 -1.626 1.00 0.00 H new ATOM 0 HH11 ARG B 668 7.023 10.336 -1.511 1.00 0.00 H new ATOM 0 HH12 ARG B 668 8.310 11.514 -1.230 1.00 0.00 H new ATOM 0 HH21 ARG B 668 10.889 9.112 -1.265 1.00 0.00 H new ATOM 0 HH22 ARG B 668 10.489 10.824 -1.092 1.00 0.00 H new ATOM 2209 N ALA B 669 1.761 8.927 -0.326 1.00 0.00 N ATOM 2210 CA ALA B 669 0.531 9.650 -0.627 1.00 0.00 C ATOM 2211 C ALA B 669 0.010 10.385 0.602 1.00 0.00 C ATOM 2212 O ALA B 669 -0.575 11.462 0.492 1.00 0.00 O ATOM 2213 CB ALA B 669 -0.525 8.694 -1.161 1.00 0.00 C ATOM 0 H ALA B 669 1.725 7.929 -0.532 1.00 0.00 H new ATOM 0 HA ALA B 669 0.754 10.393 -1.393 1.00 0.00 H new ATOM 0 HB1 ALA B 669 -1.438 9.247 -1.382 1.00 0.00 H new ATOM 0 HB2 ALA B 669 -0.159 8.220 -2.072 1.00 0.00 H new ATOM 0 HB3 ALA B 669 -0.735 7.930 -0.413 1.00 0.00 H new ATOM 2219 N TYR B 670 0.224 9.795 1.773 1.00 0.00 N ATOM 2220 CA TYR B 670 -0.227 10.393 3.025 1.00 0.00 C ATOM 2221 C TYR B 670 0.772 11.430 3.525 1.00 0.00 C ATOM 2222 O TYR B 670 0.396 12.537 3.913 1.00 0.00 O ATOM 2223 CB TYR B 670 -0.432 9.311 4.087 1.00 0.00 C ATOM 2224 CG TYR B 670 -0.996 9.837 5.386 1.00 0.00 C ATOM 2225 CD1 TYR B 670 -0.179 10.469 6.316 1.00 0.00 C ATOM 2226 CD2 TYR B 670 -2.347 9.703 5.685 1.00 0.00 C ATOM 2227 CE1 TYR B 670 -0.691 10.951 7.505 1.00 0.00 C ATOM 2228 CE2 TYR B 670 -2.867 10.183 6.872 1.00 0.00 C ATOM 2229 CZ TYR B 670 -2.035 10.806 7.778 1.00 0.00 C ATOM 2230 OH TYR B 670 -2.549 11.285 8.961 1.00 0.00 O ATOM 0 H TYR B 670 0.707 8.903 1.882 1.00 0.00 H new ATOM 0 HA TYR B 670 -1.177 10.893 2.837 1.00 0.00 H new ATOM 0 HB2 TYR B 670 -1.103 8.548 3.692 1.00 0.00 H new ATOM 0 HB3 TYR B 670 0.522 8.824 4.286 1.00 0.00 H new ATOM 0 HD1 TYR B 670 0.874 10.585 6.105 1.00 0.00 H new ATOM 0 HD2 TYR B 670 -3.001 9.215 4.978 1.00 0.00 H new ATOM 0 HE1 TYR B 670 -0.042 11.439 8.217 1.00 0.00 H new ATOM 0 HE2 TYR B 670 -3.919 10.071 7.089 1.00 0.00 H new ATOM 0 HH TYR B 670 -2.104 10.843 9.714 1.00 0.00 H new ATOM 2239 N HIS B 671 2.051 11.064 3.514 1.00 0.00 N ATOM 2240 CA HIS B 671 3.108 11.962 3.965 1.00 0.00 C ATOM 2241 C HIS B 671 3.163 13.215 3.097 1.00 0.00 C ATOM 2242 O HIS B 671 3.611 14.272 3.543 1.00 0.00 O ATOM 2243 CB HIS B 671 4.459 11.249 3.938 1.00 0.00 C ATOM 2244 CG HIS B 671 5.549 12.001 4.637 1.00 0.00 C ATOM 2245 ND1 HIS B 671 5.637 12.095 6.010 1.00 0.00 N ATOM 2246 CD2 HIS B 671 6.600 12.697 4.146 1.00 0.00 C ATOM 2247 CE1 HIS B 671 6.695 12.817 6.333 1.00 0.00 C ATOM 2248 NE2 HIS B 671 7.297 13.194 5.219 1.00 0.00 N ATOM 0 H HIS B 671 2.380 10.152 3.198 1.00 0.00 H new ATOM 0 HA HIS B 671 2.884 12.260 4.989 1.00 0.00 H new ATOM 0 HB2 HIS B 671 4.352 10.268 4.401 1.00 0.00 H new ATOM 0 HB3 HIS B 671 4.751 11.082 2.901 1.00 0.00 H new ATOM 0 HD2 HIS B 671 6.845 12.836 3.103 1.00 0.00 H new ATOM 0 HE1 HIS B 671 7.014 13.058 7.336 1.00 0.00 H new ATOM 0 HE2 HIS B 671 8.142 13.762 5.165 1.00 0.00 H new ATOM 2255 N ALA B 672 2.706 13.090 1.855 1.00 0.00 N ATOM 2256 CA ALA B 672 2.703 14.213 0.926 1.00 0.00 C ATOM 2257 C ALA B 672 1.661 15.253 1.324 1.00 0.00 C ATOM 2258 O ALA B 672 1.961 16.442 1.416 1.00 0.00 O ATOM 2259 CB ALA B 672 2.446 13.723 -0.492 1.00 0.00 C ATOM 0 H ALA B 672 2.333 12.222 1.469 1.00 0.00 H new ATOM 0 HA ALA B 672 3.684 14.687 0.964 1.00 0.00 H new ATOM 0 HB1 ALA B 672 2.446 14.572 -1.176 1.00 0.00 H new ATOM 0 HB2 ALA B 672 3.229 13.023 -0.782 1.00 0.00 H new ATOM 0 HB3 ALA B 672 1.478 13.223 -0.534 1.00 0.00 H new ATOM 2265 N MET B 673 0.436 14.796 1.560 1.00 0.00 N ATOM 2266 CA MET B 673 -0.650 15.688 1.949 1.00 0.00 C ATOM 2267 C MET B 673 -0.323 16.403 3.256 1.00 0.00 C ATOM 2268 O MET B 673 -0.679 17.567 3.443 1.00 0.00 O ATOM 2269 CB MET B 673 -1.956 14.903 2.096 1.00 0.00 C ATOM 2270 CG MET B 673 -3.149 15.772 2.457 1.00 0.00 C ATOM 2271 SD MET B 673 -3.457 15.825 4.233 1.00 0.00 S ATOM 2272 CE MET B 673 -4.131 14.189 4.509 1.00 0.00 C ATOM 0 H MET B 673 0.170 13.814 1.489 1.00 0.00 H new ATOM 0 HA MET B 673 -0.771 16.436 1.166 1.00 0.00 H new ATOM 0 HB2 MET B 673 -2.165 14.383 1.161 1.00 0.00 H new ATOM 0 HB3 MET B 673 -1.827 14.140 2.863 1.00 0.00 H new ATOM 0 HG2 MET B 673 -2.980 16.785 2.091 1.00 0.00 H new ATOM 0 HG3 MET B 673 -4.036 15.394 1.949 1.00 0.00 H new ATOM 0 HE1 MET B 673 -4.660 14.169 5.462 1.00 0.00 H new ATOM 0 HE2 MET B 673 -4.824 13.940 3.705 1.00 0.00 H new ATOM 0 HE3 MET B 673 -3.321 13.460 4.528 1.00 0.00 H new