USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=19 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 64 LYS NZ :NH3+ -144:sc= 0.413 (180deg=-0.575) USER MOD Set 1.2: B 658 GLN : amide:sc= 0.0168 K(o=0.43,f=-12!) USER MOD Set 2.1: B 637 GLN :FLIP amide:sc= -2.97! C(o=-5.4!,f=-4.5!) USER MOD Set 2.2: B 641 GLN : amide:sc= -1.52 K(o=-4.5,f=-5.4!) USER MOD Set 2.3: B 656 GLN : amide:sc= 0 K(o=-4.5,f=-5.4) USER MOD Set 3.1: A 75 ASN :FLIP amide:sc= -0.403 F(o=-3.6,f=-0.12) USER MOD Set 3.2: B 648 THR OG1 : rot 160:sc= 0.282 USER MOD Set 4.1: A 66 ASN : amide:sc= -0.477 X(o=-0.042,f=0.37) USER MOD Set 4.2: A 67 THR OG1 : rot 77:sc= 0.435 USER MOD Set 5.1: A 25 MET CE :methyl -179:sc= -6.07! (180deg=-5.02!) USER MOD Set 5.2: B 663 MET CE :methyl 173:sc= -1.17 (180deg=-0.343) USER MOD Single : A 21 LYS NZ :NH3+ -110:sc= -0.179 (180deg=-3.92!) USER MOD Single : A 27 HIS :FLIP no HD1:sc= -0.534 F(o=-1.1,f=-0.53) USER MOD Single : A 28 THR OG1 : rot -100:sc= -0.166 USER MOD Single : A 31 GLN : amide:sc= -0.385 X(o=-0.38,f=0) USER MOD Single : A 52 GLN : amide:sc=-0.00219 X(o=-0.0022,f=-0.052) USER MOD Single : A 55 HIS :FLIP no HD1:sc= -0.138 F(o=-0.81,f=-0.14) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 622 TYR OH : rot 180:sc= 0 USER MOD Single : B 625 THR OG1 : rot 180:sc= 0 USER MOD Single : B 627 GLN : amide:sc= -0.352 K(o=-0.35,f=-1.1) USER MOD Single : B 628 SER OG : rot 180:sc= 0 USER MOD Single : B 642 SER OG : rot 180:sc= 0 USER MOD Single : B 645 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 651 THR OG1 : rot 180:sc= 0.0405 USER MOD Single : B 652 TYR OH : rot 180:sc= 0 USER MOD Single : B 653 GLN : amide:sc= -0.0778 K(o=-0.078,f=-0.98) USER MOD Single : B 660 ASN : amide:sc= -0.17 K(o=-0.17,f=-1.2!) USER MOD Single : B 661 GLN : amide:sc= 0 X(o=0,f=-0.0078) USER MOD Single : B 670 TYR OH : rot 180:sc= -0.071 USER MOD Single : B 671 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 673 MET CE :methyl 166:sc= -0.141 (180deg=-0.573) USER MOD ----------------------------------------------------------------- ATOM 222 N ALA A 17 -6.769 -16.635 7.404 1.00 0.00 N ATOM 223 CA ALA A 17 -6.030 -15.552 8.041 1.00 0.00 C ATOM 224 C ALA A 17 -5.723 -14.439 7.045 1.00 0.00 C ATOM 225 O ALA A 17 -5.747 -13.258 7.392 1.00 0.00 O ATOM 226 CB ALA A 17 -4.745 -16.081 8.660 1.00 0.00 C ATOM 0 HA ALA A 17 -6.654 -15.135 8.832 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -4.204 -15.261 9.132 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -4.986 -16.835 9.409 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.123 -16.526 7.883 1.00 0.00 H new ATOM 232 N PHE A 18 -5.431 -14.823 5.807 1.00 0.00 N ATOM 233 CA PHE A 18 -5.116 -13.858 4.761 1.00 0.00 C ATOM 234 C PHE A 18 -6.247 -12.846 4.596 1.00 0.00 C ATOM 235 O PHE A 18 -6.013 -11.639 4.561 1.00 0.00 O ATOM 236 CB PHE A 18 -4.861 -14.575 3.434 1.00 0.00 C ATOM 237 CG PHE A 18 -4.304 -13.680 2.365 1.00 0.00 C ATOM 238 CD1 PHE A 18 -2.983 -13.264 2.410 1.00 0.00 C ATOM 239 CD2 PHE A 18 -5.101 -13.252 1.315 1.00 0.00 C ATOM 240 CE1 PHE A 18 -2.466 -12.441 1.428 1.00 0.00 C ATOM 241 CE2 PHE A 18 -4.590 -12.429 0.330 1.00 0.00 C ATOM 242 CZ PHE A 18 -3.271 -12.021 0.387 1.00 0.00 C ATOM 0 H PHE A 18 -5.406 -15.797 5.504 1.00 0.00 H new ATOM 0 HA PHE A 18 -4.213 -13.323 5.056 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.168 -15.399 3.603 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.795 -15.011 3.081 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -2.350 -13.587 3.223 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -6.133 -13.565 1.266 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.434 -12.126 1.474 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -5.221 -12.105 -0.484 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.870 -11.375 -0.380 1.00 0.00 H new ATOM 251 N ALA A 19 -7.473 -13.350 4.495 1.00 0.00 N ATOM 252 CA ALA A 19 -8.640 -12.492 4.336 1.00 0.00 C ATOM 253 C ALA A 19 -8.850 -11.615 5.566 1.00 0.00 C ATOM 254 O ALA A 19 -9.356 -10.497 5.464 1.00 0.00 O ATOM 255 CB ALA A 19 -9.880 -13.332 4.066 1.00 0.00 C ATOM 0 H ALA A 19 -7.683 -14.348 4.521 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.465 -11.838 3.482 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -10.744 -12.678 3.949 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -9.736 -13.910 3.153 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -10.049 -14.011 4.902 1.00 0.00 H new ATOM 261 N ALA A 20 -8.459 -12.130 6.726 1.00 0.00 N ATOM 262 CA ALA A 20 -8.604 -11.393 7.976 1.00 0.00 C ATOM 263 C ALA A 20 -7.885 -10.050 7.908 1.00 0.00 C ATOM 264 O ALA A 20 -8.470 -9.007 8.200 1.00 0.00 O ATOM 265 CB ALA A 20 -8.072 -12.219 9.139 1.00 0.00 C ATOM 0 H ALA A 20 -8.039 -13.054 6.827 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.665 -11.200 8.135 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.186 -11.658 10.066 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.631 -13.152 9.209 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -7.017 -12.440 8.976 1.00 0.00 H new ATOM 271 N LYS A 21 -6.615 -10.082 7.521 1.00 0.00 N ATOM 272 CA LYS A 21 -5.816 -8.867 7.412 1.00 0.00 C ATOM 273 C LYS A 21 -6.166 -8.097 6.143 1.00 0.00 C ATOM 274 O LYS A 21 -6.170 -6.866 6.134 1.00 0.00 O ATOM 275 CB LYS A 21 -4.325 -9.211 7.419 1.00 0.00 C ATOM 276 CG LYS A 21 -3.930 -10.227 6.362 1.00 0.00 C ATOM 277 CD LYS A 21 -2.431 -10.478 6.361 1.00 0.00 C ATOM 278 CE LYS A 21 -1.935 -10.894 7.737 1.00 0.00 C ATOM 279 NZ LYS A 21 -0.472 -11.174 7.737 1.00 0.00 N ATOM 0 H LYS A 21 -6.116 -10.937 7.277 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.041 -8.236 8.271 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -3.749 -8.298 7.266 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.055 -9.598 8.402 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.456 -11.164 6.542 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.241 -9.871 5.380 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.192 -11.256 5.636 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.910 -9.575 6.043 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.154 -10.105 8.456 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.475 -11.782 8.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.314 -12.195 7.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.059 -10.864 6.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.020 -10.659 8.519 1.00 0.00 H new ATOM 289 N ALA A 22 -6.460 -8.830 5.074 1.00 0.00 N ATOM 290 CA ALA A 22 -6.814 -8.215 3.800 1.00 0.00 C ATOM 291 C ALA A 22 -7.956 -7.219 3.972 1.00 0.00 C ATOM 292 O ALA A 22 -7.869 -6.077 3.522 1.00 0.00 O ATOM 293 CB ALA A 22 -7.191 -9.284 2.785 1.00 0.00 C ATOM 0 H ALA A 22 -6.460 -9.850 5.065 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.944 -7.671 3.432 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.453 -8.811 1.839 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.346 -9.956 2.633 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.044 -9.852 3.155 1.00 0.00 H new ATOM 299 N GLY A 23 -9.028 -7.660 4.623 1.00 0.00 N ATOM 300 CA GLY A 23 -10.172 -6.795 4.841 1.00 0.00 C ATOM 301 C GLY A 23 -9.846 -5.613 5.732 1.00 0.00 C ATOM 302 O GLY A 23 -10.497 -4.570 5.659 1.00 0.00 O ATOM 0 H GLY A 23 -9.124 -8.601 5.003 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.537 -6.432 3.880 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.980 -7.373 5.291 1.00 0.00 H new ATOM 306 N LEU A 24 -8.835 -5.775 6.579 1.00 0.00 N ATOM 307 CA LEU A 24 -8.422 -4.714 7.492 1.00 0.00 C ATOM 308 C LEU A 24 -7.563 -3.681 6.771 1.00 0.00 C ATOM 309 O LEU A 24 -7.566 -2.501 7.126 1.00 0.00 O ATOM 310 CB LEU A 24 -7.649 -5.303 8.673 1.00 0.00 C ATOM 311 CG LEU A 24 -7.628 -4.458 9.947 1.00 0.00 C ATOM 312 CD1 LEU A 24 -8.954 -4.569 10.684 1.00 0.00 C ATOM 313 CD2 LEU A 24 -6.478 -4.883 10.850 1.00 0.00 C ATOM 0 H LEU A 24 -8.286 -6.631 6.653 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.318 -4.218 7.864 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.077 -6.276 8.913 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.620 -5.476 8.358 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.478 -3.416 9.666 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.920 -3.961 11.588 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -9.759 -4.216 10.039 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.135 -5.610 10.953 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.478 -4.271 11.752 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.598 -5.931 11.123 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.533 -4.751 10.322 1.00 0.00 H new ATOM 324 N MET A 25 -6.832 -4.129 5.756 1.00 0.00 N ATOM 325 CA MET A 25 -5.971 -3.242 4.983 1.00 0.00 C ATOM 326 C MET A 25 -6.756 -2.042 4.461 1.00 0.00 C ATOM 327 O MET A 25 -6.426 -0.895 4.760 1.00 0.00 O ATOM 328 CB MET A 25 -5.338 -3.999 3.815 1.00 0.00 C ATOM 329 CG MET A 25 -4.622 -3.098 2.823 1.00 0.00 C ATOM 330 SD MET A 25 -3.326 -2.109 3.592 1.00 0.00 S ATOM 331 CE MET A 25 -1.913 -3.192 3.399 1.00 0.00 C ATOM 0 H MET A 25 -6.819 -5.102 5.449 1.00 0.00 H new ATOM 0 HA MET A 25 -5.181 -2.880 5.641 1.00 0.00 H new ATOM 0 HB2 MET A 25 -4.630 -4.729 4.207 1.00 0.00 H new ATOM 0 HB3 MET A 25 -6.114 -4.557 3.292 1.00 0.00 H new ATOM 0 HG2 MET A 25 -4.186 -3.709 2.032 1.00 0.00 H new ATOM 0 HG3 MET A 25 -5.347 -2.435 2.351 1.00 0.00 H new ATOM 0 HE1 MET A 25 -1.034 -2.726 3.843 1.00 0.00 H new ATOM 0 HE2 MET A 25 -2.111 -4.141 3.897 1.00 0.00 H new ATOM 0 HE3 MET A 25 -1.733 -3.369 2.339 1.00 0.00 H new ATOM 339 N ARG A 26 -7.795 -2.316 3.679 1.00 0.00 N ATOM 340 CA ARG A 26 -8.626 -1.259 3.113 1.00 0.00 C ATOM 341 C ARG A 26 -9.224 -0.390 4.216 1.00 0.00 C ATOM 342 O ARG A 26 -9.560 0.773 3.990 1.00 0.00 O ATOM 343 CB ARG A 26 -9.744 -1.861 2.260 1.00 0.00 C ATOM 344 CG ARG A 26 -9.395 -1.965 0.784 1.00 0.00 C ATOM 345 CD ARG A 26 -10.367 -2.870 0.045 1.00 0.00 C ATOM 346 NE ARG A 26 -11.539 -2.142 -0.432 1.00 0.00 N ATOM 347 CZ ARG A 26 -12.425 -2.650 -1.281 1.00 0.00 C ATOM 348 NH1 ARG A 26 -12.274 -3.883 -1.743 1.00 0.00 N ATOM 349 NH2 ARG A 26 -13.466 -1.924 -1.669 1.00 0.00 N ATOM 0 H ARG A 26 -8.082 -3.261 3.423 1.00 0.00 H new ATOM 0 HA ARG A 26 -7.995 -0.633 2.482 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -9.984 -2.855 2.639 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -10.642 -1.253 2.370 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -9.408 -0.972 0.335 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -8.382 -2.351 0.675 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -9.859 -3.333 -0.801 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -10.685 -3.676 0.706 1.00 0.00 H new ATOM 0 HE ARG A 26 -11.686 -1.191 -0.095 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -11.476 -4.444 -1.447 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -12.956 -4.270 -2.395 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -13.586 -0.975 -1.315 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -14.146 -2.315 -2.321 1.00 0.00 H new ATOM 360 N HIS A 27 -9.354 -0.962 5.409 1.00 0.00 N ATOM 361 CA HIS A 27 -9.913 -0.240 6.546 1.00 0.00 C ATOM 362 C HIS A 27 -8.890 0.731 7.127 1.00 0.00 C ATOM 363 O HIS A 27 -9.230 1.848 7.518 1.00 0.00 O ATOM 364 CB HIS A 27 -10.372 -1.221 7.625 1.00 0.00 C ATOM 365 CG HIS A 27 -11.145 -0.574 8.733 1.00 0.00 C ATOM 366 ND1 HIS A 27 -11.240 -0.889 10.046 1.00 0.00 N flip ATOM 367 CD2 HIS A 27 -11.942 0.535 8.547 1.00 0.00 C flip ATOM 368 CE1 HIS A 27 -12.084 0.028 10.623 1.00 0.00 C flip ATOM 369 NE2 HIS A 27 -12.494 0.877 9.697 1.00 0.00 N flip ATOM 0 H HIS A 27 -9.080 -1.923 5.613 1.00 0.00 H new ATOM 0 HA HIS A 27 -10.773 0.331 6.196 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -10.989 -1.992 7.164 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -9.499 -1.720 8.045 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -12.092 1.045 7.607 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -12.367 0.051 11.665 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -13.128 1.662 9.845 1.00 0.00 H new ATOM 376 N THR A 28 -7.634 0.298 7.183 1.00 0.00 N ATOM 377 CA THR A 28 -6.562 1.128 7.719 1.00 0.00 C ATOM 378 C THR A 28 -6.545 2.499 7.055 1.00 0.00 C ATOM 379 O THR A 28 -6.360 3.519 7.721 1.00 0.00 O ATOM 380 CB THR A 28 -5.187 0.460 7.528 1.00 0.00 C ATOM 381 OG1 THR A 28 -5.237 -0.902 7.968 1.00 0.00 O ATOM 382 CG2 THR A 28 -4.110 1.209 8.300 1.00 0.00 C ATOM 0 H THR A 28 -7.334 -0.623 6.864 1.00 0.00 H new ATOM 0 HA THR A 28 -6.756 1.246 8.785 1.00 0.00 H new ATOM 0 HB THR A 28 -4.938 0.489 6.467 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.849 -0.970 8.865 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.148 0.719 8.150 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.054 2.237 7.942 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.356 1.208 9.362 1.00 0.00 H new ATOM 390 N ILE A 29 -6.740 2.519 5.741 1.00 0.00 N ATOM 391 CA ILE A 29 -6.749 3.767 4.988 1.00 0.00 C ATOM 392 C ILE A 29 -8.024 4.561 5.255 1.00 0.00 C ATOM 393 O ILE A 29 -7.975 5.758 5.533 1.00 0.00 O ATOM 394 CB ILE A 29 -6.623 3.512 3.475 1.00 0.00 C ATOM 395 CG1 ILE A 29 -5.279 2.856 3.156 1.00 0.00 C ATOM 396 CG2 ILE A 29 -6.778 4.815 2.705 1.00 0.00 C ATOM 397 CD1 ILE A 29 -5.290 1.351 3.311 1.00 0.00 C ATOM 0 H ILE A 29 -6.894 1.684 5.175 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.888 4.345 5.323 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.419 2.833 3.168 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.995 3.106 2.134 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.515 3.275 3.810 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -6.687 4.619 1.637 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -7.757 5.246 2.913 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.001 5.515 3.013 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.305 0.953 3.069 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.543 1.093 4.339 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.031 0.921 2.637 1.00 0.00 H new ATOM 408 N GLY A 30 -9.165 3.884 5.169 1.00 0.00 N ATOM 409 CA GLY A 30 -10.437 4.540 5.406 1.00 0.00 C ATOM 410 C GLY A 30 -10.479 5.261 6.738 1.00 0.00 C ATOM 411 O GLY A 30 -10.928 6.404 6.819 1.00 0.00 O ATOM 0 H GLY A 30 -9.231 2.892 4.939 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.629 5.253 4.604 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.236 3.799 5.372 1.00 0.00 H new ATOM 415 N GLN A 31 -10.011 4.591 7.787 1.00 0.00 N ATOM 416 CA GLN A 31 -10.000 5.175 9.122 1.00 0.00 C ATOM 417 C GLN A 31 -8.923 6.248 9.239 1.00 0.00 C ATOM 418 O GLN A 31 -9.116 7.266 9.903 1.00 0.00 O ATOM 419 CB GLN A 31 -9.769 4.089 10.175 1.00 0.00 C ATOM 420 CG GLN A 31 -11.053 3.545 10.780 1.00 0.00 C ATOM 421 CD GLN A 31 -11.436 4.249 12.066 1.00 0.00 C ATOM 422 OE1 GLN A 31 -11.470 3.639 13.135 1.00 0.00 O ATOM 423 NE2 GLN A 31 -11.726 5.541 11.971 1.00 0.00 N ATOM 0 H GLN A 31 -9.635 3.644 7.737 1.00 0.00 H new ATOM 0 HA GLN A 31 -10.971 5.640 9.295 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -9.214 3.267 9.722 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -9.145 4.494 10.972 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -11.863 3.649 10.058 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.935 2.479 10.975 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -11.685 6.008 11.065 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -11.990 6.067 12.804 1.00 0.00 H new ATOM 430 N ALA A 32 -7.789 6.015 8.587 1.00 0.00 N ATOM 431 CA ALA A 32 -6.682 6.962 8.615 1.00 0.00 C ATOM 432 C ALA A 32 -7.081 8.291 7.982 1.00 0.00 C ATOM 433 O ALA A 32 -6.628 9.353 8.410 1.00 0.00 O ATOM 434 CB ALA A 32 -5.470 6.380 7.902 1.00 0.00 C ATOM 0 H ALA A 32 -7.613 5.177 8.032 1.00 0.00 H new ATOM 0 HA ALA A 32 -6.422 7.148 9.657 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.651 7.099 7.931 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.163 5.460 8.399 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.727 6.164 6.865 1.00 0.00 H new ATOM 440 N GLU A 33 -7.931 8.225 6.962 1.00 0.00 N ATOM 441 CA GLU A 33 -8.389 9.425 6.271 1.00 0.00 C ATOM 442 C GLU A 33 -9.012 10.413 7.252 1.00 0.00 C ATOM 443 O GLU A 33 -8.921 11.626 7.068 1.00 0.00 O ATOM 444 CB GLU A 33 -9.402 9.059 5.185 1.00 0.00 C ATOM 445 CG GLU A 33 -8.764 8.563 3.898 1.00 0.00 C ATOM 446 CD GLU A 33 -9.762 8.430 2.765 1.00 0.00 C ATOM 447 OE1 GLU A 33 -10.588 9.350 2.590 1.00 0.00 O ATOM 448 OE2 GLU A 33 -9.717 7.405 2.053 1.00 0.00 O ATOM 0 H GLU A 33 -8.316 7.354 6.596 1.00 0.00 H new ATOM 0 HA GLU A 33 -7.524 9.898 5.806 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.071 8.289 5.569 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -10.015 9.932 4.963 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -7.972 9.251 3.601 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.295 7.596 4.079 1.00 0.00 H new ATOM 658 N PHE A 51 -2.967 20.435 -0.088 1.00 0.00 N ATOM 659 CA PHE A 51 -3.479 19.245 0.581 1.00 0.00 C ATOM 660 C PHE A 51 -4.212 18.339 -0.404 1.00 0.00 C ATOM 661 O PHE A 51 -4.032 17.122 -0.395 1.00 0.00 O ATOM 662 CB PHE A 51 -4.418 19.641 1.723 1.00 0.00 C ATOM 663 CG PHE A 51 -5.139 18.476 2.338 1.00 0.00 C ATOM 664 CD1 PHE A 51 -4.441 17.355 2.757 1.00 0.00 C ATOM 665 CD2 PHE A 51 -6.516 18.501 2.495 1.00 0.00 C ATOM 666 CE1 PHE A 51 -5.102 16.281 3.323 1.00 0.00 C ATOM 667 CE2 PHE A 51 -7.181 17.431 3.062 1.00 0.00 C ATOM 668 CZ PHE A 51 -6.474 16.319 3.475 1.00 0.00 C ATOM 0 HA PHE A 51 -2.631 18.696 0.990 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -3.842 20.151 2.496 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.151 20.355 1.349 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.368 17.320 2.640 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -7.075 19.366 2.171 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -4.546 15.413 3.646 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -8.254 17.464 3.182 1.00 0.00 H new ATOM 0 HZ PHE A 51 -6.993 15.481 3.916 1.00 0.00 H new ATOM 677 N GLN A 52 -5.039 18.943 -1.251 1.00 0.00 N ATOM 678 CA GLN A 52 -5.801 18.191 -2.241 1.00 0.00 C ATOM 679 C GLN A 52 -4.879 17.323 -3.092 1.00 0.00 C ATOM 680 O GLN A 52 -5.079 16.114 -3.203 1.00 0.00 O ATOM 681 CB GLN A 52 -6.593 19.144 -3.138 1.00 0.00 C ATOM 682 CG GLN A 52 -7.426 18.435 -4.193 1.00 0.00 C ATOM 683 CD GLN A 52 -8.874 18.264 -3.775 1.00 0.00 C ATOM 684 OE1 GLN A 52 -9.583 19.241 -3.538 1.00 0.00 O ATOM 685 NE2 GLN A 52 -9.320 17.017 -3.684 1.00 0.00 N ATOM 0 H GLN A 52 -5.198 19.950 -1.272 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.496 17.541 -1.710 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.250 19.753 -2.517 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -5.900 19.825 -3.632 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -7.385 19.001 -5.124 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -6.992 17.456 -4.396 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.697 16.236 -3.890 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -10.286 16.840 -3.408 1.00 0.00 H new ATOM 692 N ALA A 53 -3.870 17.948 -3.690 1.00 0.00 N ATOM 693 CA ALA A 53 -2.917 17.232 -4.529 1.00 0.00 C ATOM 694 C ALA A 53 -2.350 16.018 -3.802 1.00 0.00 C ATOM 695 O ALA A 53 -2.084 14.984 -4.414 1.00 0.00 O ATOM 696 CB ALA A 53 -1.794 18.162 -4.963 1.00 0.00 C ATOM 0 H ALA A 53 -3.692 18.949 -3.609 1.00 0.00 H new ATOM 0 HA ALA A 53 -3.444 16.878 -5.415 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -1.089 17.614 -5.589 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -2.210 18.996 -5.529 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.277 18.543 -4.083 1.00 0.00 H new ATOM 702 N ALA A 54 -2.167 16.149 -2.492 1.00 0.00 N ATOM 703 CA ALA A 54 -1.634 15.062 -1.682 1.00 0.00 C ATOM 704 C ALA A 54 -2.704 14.015 -1.394 1.00 0.00 C ATOM 705 O ALA A 54 -2.405 12.828 -1.261 1.00 0.00 O ATOM 706 CB ALA A 54 -1.061 15.605 -0.381 1.00 0.00 C ATOM 0 H ALA A 54 -2.381 16.998 -1.969 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.835 14.581 -2.246 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.666 14.782 0.214 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.259 16.310 -0.603 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.846 16.113 0.178 1.00 0.00 H new ATOM 712 N HIS A 55 -3.952 14.462 -1.297 1.00 0.00 N ATOM 713 CA HIS A 55 -5.067 13.563 -1.024 1.00 0.00 C ATOM 714 C HIS A 55 -5.409 12.731 -2.257 1.00 0.00 C ATOM 715 O HIS A 55 -5.723 11.547 -2.150 1.00 0.00 O ATOM 716 CB HIS A 55 -6.294 14.359 -0.576 1.00 0.00 C ATOM 717 CG HIS A 55 -7.516 13.515 -0.379 1.00 0.00 C ATOM 718 ND1 HIS A 55 -8.336 12.923 -1.277 1.00 0.00 N flip ATOM 719 CD2 HIS A 55 -8.021 13.200 0.866 1.00 0.00 C flip ATOM 720 CE1 HIS A 55 -9.311 12.265 -0.567 1.00 0.00 C flip ATOM 721 NE2 HIS A 55 -9.097 12.449 0.723 1.00 0.00 N flip ATOM 0 H HIS A 55 -4.216 15.441 -1.403 1.00 0.00 H new ATOM 0 HA HIS A 55 -4.768 12.887 -0.222 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -6.063 14.873 0.357 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -6.509 15.128 -1.318 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -7.602 13.518 1.809 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -10.120 11.691 -0.994 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -9.667 12.074 1.481 1.00 0.00 H new ATOM 728 N ALA A 56 -5.346 13.361 -3.426 1.00 0.00 N ATOM 729 CA ALA A 56 -5.647 12.679 -4.678 1.00 0.00 C ATOM 730 C ALA A 56 -4.581 11.640 -5.007 1.00 0.00 C ATOM 731 O ALA A 56 -4.868 10.617 -5.631 1.00 0.00 O ATOM 732 CB ALA A 56 -5.773 13.686 -5.810 1.00 0.00 C ATOM 0 H ALA A 56 -5.089 14.342 -3.531 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.598 12.160 -4.561 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.998 13.163 -6.739 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.576 14.388 -5.585 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.835 14.231 -5.918 1.00 0.00 H new ATOM 738 N ARG A 57 -3.350 11.907 -4.584 1.00 0.00 N ATOM 739 CA ARG A 57 -2.241 10.995 -4.837 1.00 0.00 C ATOM 740 C ARG A 57 -2.438 9.680 -4.089 1.00 0.00 C ATOM 741 O ARG A 57 -2.101 8.609 -4.596 1.00 0.00 O ATOM 742 CB ARG A 57 -0.918 11.640 -4.417 1.00 0.00 C ATOM 743 CG ARG A 57 -0.277 12.481 -5.508 1.00 0.00 C ATOM 744 CD ARG A 57 1.154 12.854 -5.156 1.00 0.00 C ATOM 745 NE ARG A 57 1.917 13.270 -6.330 1.00 0.00 N ATOM 746 CZ ARG A 57 3.216 13.548 -6.303 1.00 0.00 C ATOM 747 NH1 ARG A 57 3.893 13.456 -5.166 1.00 0.00 N ATOM 748 NH2 ARG A 57 3.840 13.919 -7.412 1.00 0.00 N ATOM 0 H ARG A 57 -3.095 12.747 -4.065 1.00 0.00 H new ATOM 0 HA ARG A 57 -2.212 10.784 -5.906 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -1.091 12.266 -3.542 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -0.221 10.857 -4.117 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.290 11.930 -6.448 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -0.863 13.387 -5.662 1.00 0.00 H new ATOM 0 HD2 ARG A 57 1.148 13.661 -4.423 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.646 12.001 -4.688 1.00 0.00 H new ATOM 0 HE ARG A 57 1.425 13.352 -7.220 1.00 0.00 H new ATOM 0 HH11 ARG A 57 3.416 13.171 -4.310 1.00 0.00 H new ATOM 0 HH12 ARG A 57 4.890 13.670 -5.147 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.323 13.992 -8.288 1.00 0.00 H new ATOM 0 HH22 ARG A 57 4.837 14.132 -7.389 1.00 0.00 H new ATOM 759 N PHE A 58 -2.984 9.767 -2.881 1.00 0.00 N ATOM 760 CA PHE A 58 -3.225 8.584 -2.063 1.00 0.00 C ATOM 761 C PHE A 58 -4.304 7.703 -2.685 1.00 0.00 C ATOM 762 O PHE A 58 -4.088 6.515 -2.925 1.00 0.00 O ATOM 763 CB PHE A 58 -3.638 8.993 -0.647 1.00 0.00 C ATOM 764 CG PHE A 58 -3.481 7.893 0.364 1.00 0.00 C ATOM 765 CD1 PHE A 58 -4.243 6.739 0.275 1.00 0.00 C ATOM 766 CD2 PHE A 58 -2.573 8.012 1.403 1.00 0.00 C ATOM 767 CE1 PHE A 58 -4.102 5.726 1.204 1.00 0.00 C ATOM 768 CE2 PHE A 58 -2.426 7.002 2.334 1.00 0.00 C ATOM 769 CZ PHE A 58 -3.192 5.857 2.234 1.00 0.00 C ATOM 0 H PHE A 58 -3.268 10.645 -2.446 1.00 0.00 H new ATOM 0 HA PHE A 58 -2.298 8.012 -2.013 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.040 9.850 -0.336 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.678 9.318 -0.660 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -4.955 6.630 -0.530 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.972 8.906 1.486 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -4.703 4.832 1.124 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -1.713 7.108 3.139 1.00 0.00 H new ATOM 0 HZ PHE A 58 -3.079 5.066 2.960 1.00 0.00 H new ATOM 778 N VAL A 59 -5.465 8.294 -2.944 1.00 0.00 N ATOM 779 CA VAL A 59 -6.579 7.564 -3.539 1.00 0.00 C ATOM 780 C VAL A 59 -6.176 6.936 -4.869 1.00 0.00 C ATOM 781 O VAL A 59 -6.650 5.857 -5.225 1.00 0.00 O ATOM 782 CB VAL A 59 -7.795 8.482 -3.765 1.00 0.00 C ATOM 783 CG1 VAL A 59 -7.377 9.753 -4.489 1.00 0.00 C ATOM 784 CG2 VAL A 59 -8.878 7.748 -4.541 1.00 0.00 C ATOM 0 H VAL A 59 -5.660 9.277 -2.751 1.00 0.00 H new ATOM 0 HA VAL A 59 -6.853 6.777 -2.837 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.203 8.763 -2.794 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -8.249 10.389 -4.640 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.638 10.286 -3.891 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.944 9.495 -5.456 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.730 8.411 -4.692 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -8.485 7.436 -5.509 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.197 6.870 -3.979 1.00 0.00 H new ATOM 794 N ALA A 60 -5.298 7.617 -5.597 1.00 0.00 N ATOM 795 CA ALA A 60 -4.830 7.125 -6.886 1.00 0.00 C ATOM 796 C ALA A 60 -4.082 5.805 -6.730 1.00 0.00 C ATOM 797 O ALA A 60 -4.235 4.894 -7.544 1.00 0.00 O ATOM 798 CB ALA A 60 -3.940 8.161 -7.556 1.00 0.00 C ATOM 0 H ALA A 60 -4.896 8.511 -5.316 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.701 6.948 -7.517 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.598 7.779 -8.518 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.505 9.080 -7.710 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.079 8.367 -6.920 1.00 0.00 H new ATOM 804 N ALA A 61 -3.273 5.708 -5.681 1.00 0.00 N ATOM 805 CA ALA A 61 -2.502 4.499 -5.419 1.00 0.00 C ATOM 806 C ALA A 61 -3.369 3.426 -4.769 1.00 0.00 C ATOM 807 O ALA A 61 -3.173 2.233 -4.997 1.00 0.00 O ATOM 808 CB ALA A 61 -1.304 4.818 -4.538 1.00 0.00 C ATOM 0 H ALA A 61 -3.134 6.453 -4.998 1.00 0.00 H new ATOM 0 HA ALA A 61 -2.144 4.111 -6.373 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.737 3.906 -4.350 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -0.666 5.545 -5.041 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -1.649 5.232 -3.591 1.00 0.00 H new ATOM 814 N ALA A 62 -4.329 3.859 -3.957 1.00 0.00 N ATOM 815 CA ALA A 62 -5.227 2.935 -3.274 1.00 0.00 C ATOM 816 C ALA A 62 -5.855 1.955 -4.258 1.00 0.00 C ATOM 817 O ALA A 62 -6.148 0.811 -3.907 1.00 0.00 O ATOM 818 CB ALA A 62 -6.307 3.704 -2.528 1.00 0.00 C ATOM 0 H ALA A 62 -4.505 4.844 -3.756 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.643 2.362 -2.554 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.970 3.002 -2.023 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.843 4.360 -1.791 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.882 4.302 -3.235 1.00 0.00 H new ATOM 824 N ALA A 63 -6.062 2.408 -5.490 1.00 0.00 N ATOM 825 CA ALA A 63 -6.655 1.570 -6.524 1.00 0.00 C ATOM 826 C ALA A 63 -5.765 0.373 -6.837 1.00 0.00 C ATOM 827 O ALA A 63 -6.243 -0.756 -6.950 1.00 0.00 O ATOM 828 CB ALA A 63 -6.909 2.387 -7.783 1.00 0.00 C ATOM 0 H ALA A 63 -5.827 3.352 -5.796 1.00 0.00 H new ATOM 0 HA ALA A 63 -7.607 1.193 -6.151 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.352 1.749 -8.548 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -7.591 3.206 -7.554 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.966 2.792 -8.150 1.00 0.00 H new ATOM 834 N LYS A 64 -4.469 0.626 -6.979 1.00 0.00 N ATOM 835 CA LYS A 64 -3.510 -0.431 -7.280 1.00 0.00 C ATOM 836 C LYS A 64 -3.509 -1.492 -6.184 1.00 0.00 C ATOM 837 O LYS A 64 -3.657 -2.684 -6.459 1.00 0.00 O ATOM 838 CB LYS A 64 -2.105 0.155 -7.437 1.00 0.00 C ATOM 839 CG LYS A 64 -1.294 -0.498 -8.542 1.00 0.00 C ATOM 840 CD LYS A 64 -1.179 -1.999 -8.337 1.00 0.00 C ATOM 841 CE LYS A 64 -0.434 -2.663 -9.485 1.00 0.00 C ATOM 842 NZ LYS A 64 -1.003 -2.286 -10.808 1.00 0.00 N ATOM 0 H LYS A 64 -4.057 1.555 -6.890 1.00 0.00 H new ATOM 0 HA LYS A 64 -3.808 -0.901 -8.217 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -2.186 1.223 -7.640 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.569 0.050 -6.494 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.762 -0.296 -9.506 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.298 -0.057 -8.573 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -0.660 -2.201 -7.400 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -2.175 -2.433 -8.249 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.618 -2.379 -9.448 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.476 -3.746 -9.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.955 -3.101 -11.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.995 -1.996 -10.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.457 -1.496 -11.208 1.00 0.00 H new ATOM 852 N VAL A 65 -3.345 -1.053 -4.940 1.00 0.00 N ATOM 853 CA VAL A 65 -3.327 -1.965 -3.804 1.00 0.00 C ATOM 854 C VAL A 65 -4.679 -2.648 -3.626 1.00 0.00 C ATOM 855 O VAL A 65 -4.750 -3.819 -3.257 1.00 0.00 O ATOM 856 CB VAL A 65 -2.959 -1.231 -2.500 1.00 0.00 C ATOM 857 CG1 VAL A 65 -3.935 -0.093 -2.236 1.00 0.00 C ATOM 858 CG2 VAL A 65 -2.932 -2.203 -1.330 1.00 0.00 C ATOM 0 H VAL A 65 -3.223 -0.071 -4.694 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.568 -2.718 -4.015 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.962 -0.806 -2.611 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.660 0.415 -1.311 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.900 0.616 -3.063 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.945 -0.493 -2.144 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.670 -1.667 -0.418 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.915 -2.659 -1.213 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -2.191 -2.980 -1.519 1.00 0.00 H new ATOM 868 N ASN A 66 -5.749 -1.906 -3.891 1.00 0.00 N ATOM 869 CA ASN A 66 -7.100 -2.439 -3.761 1.00 0.00 C ATOM 870 C ASN A 66 -7.338 -3.569 -4.759 1.00 0.00 C ATOM 871 O ASN A 66 -7.896 -4.611 -4.414 1.00 0.00 O ATOM 872 CB ASN A 66 -8.132 -1.330 -3.973 1.00 0.00 C ATOM 873 CG ASN A 66 -9.463 -1.865 -4.464 1.00 0.00 C ATOM 874 OD1 ASN A 66 -10.355 -2.164 -3.669 1.00 0.00 O ATOM 875 ND2 ASN A 66 -9.604 -1.988 -5.779 1.00 0.00 N ATOM 0 H ASN A 66 -5.707 -0.934 -4.197 1.00 0.00 H new ATOM 0 HA ASN A 66 -7.210 -2.839 -2.753 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -8.282 -0.794 -3.036 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -7.745 -0.610 -4.694 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -10.478 -2.342 -6.167 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -8.838 -1.728 -6.401 1.00 0.00 H new ATOM 881 N THR A 67 -6.911 -3.353 -6.000 1.00 0.00 N ATOM 882 CA THR A 67 -7.077 -4.351 -7.049 1.00 0.00 C ATOM 883 C THR A 67 -6.246 -5.596 -6.760 1.00 0.00 C ATOM 884 O THR A 67 -6.753 -6.718 -6.806 1.00 0.00 O ATOM 885 CB THR A 67 -6.678 -3.790 -8.427 1.00 0.00 C ATOM 886 OG1 THR A 67 -7.539 -2.701 -8.779 1.00 0.00 O ATOM 887 CG2 THR A 67 -6.756 -4.871 -9.494 1.00 0.00 C ATOM 0 H THR A 67 -6.448 -2.496 -6.302 1.00 0.00 H new ATOM 0 HA THR A 67 -8.134 -4.618 -7.066 1.00 0.00 H new ATOM 0 HB THR A 67 -5.649 -3.435 -8.367 1.00 0.00 H new ATOM 0 HG1 THR A 67 -7.275 -1.900 -8.279 1.00 0.00 H new ATOM 0 HG21 THR A 67 -6.470 -4.452 -10.459 1.00 0.00 H new ATOM 0 HG22 THR A 67 -6.079 -5.685 -9.237 1.00 0.00 H new ATOM 0 HG23 THR A 67 -7.776 -5.252 -9.552 1.00 0.00 H new ATOM 895 N LEU A 68 -4.968 -5.392 -6.463 1.00 0.00 N ATOM 896 CA LEU A 68 -4.065 -6.499 -6.166 1.00 0.00 C ATOM 897 C LEU A 68 -4.655 -7.411 -5.094 1.00 0.00 C ATOM 898 O LEU A 68 -4.457 -8.626 -5.120 1.00 0.00 O ATOM 899 CB LEU A 68 -2.707 -5.966 -5.706 1.00 0.00 C ATOM 900 CG LEU A 68 -1.870 -5.255 -6.770 1.00 0.00 C ATOM 901 CD1 LEU A 68 -0.768 -4.433 -6.120 1.00 0.00 C ATOM 902 CD2 LEU A 68 -1.281 -6.263 -7.746 1.00 0.00 C ATOM 0 H LEU A 68 -4.533 -4.470 -6.421 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.931 -7.080 -7.078 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.871 -5.274 -4.880 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.126 -6.800 -5.313 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.520 -4.579 -7.325 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -0.183 -3.934 -6.892 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -1.211 -3.686 -5.462 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.119 -5.089 -5.540 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.688 -5.740 -8.496 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.645 -6.964 -7.205 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.087 -6.809 -8.236 1.00 0.00 H new ATOM 913 N LEU A 69 -5.383 -6.816 -4.155 1.00 0.00 N ATOM 914 CA LEU A 69 -6.005 -7.575 -3.075 1.00 0.00 C ATOM 915 C LEU A 69 -6.892 -8.684 -3.630 1.00 0.00 C ATOM 916 O LEU A 69 -6.725 -9.855 -3.288 1.00 0.00 O ATOM 917 CB LEU A 69 -6.830 -6.646 -2.183 1.00 0.00 C ATOM 918 CG LEU A 69 -6.312 -6.450 -0.758 1.00 0.00 C ATOM 919 CD1 LEU A 69 -6.567 -7.694 0.079 1.00 0.00 C ATOM 920 CD2 LEU A 69 -4.829 -6.108 -0.772 1.00 0.00 C ATOM 0 H LEU A 69 -5.557 -5.812 -4.120 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.213 -8.031 -2.481 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.888 -5.670 -2.665 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.847 -7.036 -2.128 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.852 -5.618 -0.307 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.192 -7.536 1.090 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.638 -7.894 0.117 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.055 -8.545 -0.369 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.477 -5.972 0.251 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.273 -6.919 -1.242 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.673 -5.188 -1.335 1.00 0.00 H new ATOM 931 N ASP A 70 -7.832 -8.309 -4.489 1.00 0.00 N ATOM 932 CA ASP A 70 -8.744 -9.274 -5.095 1.00 0.00 C ATOM 933 C ASP A 70 -7.972 -10.348 -5.855 1.00 0.00 C ATOM 934 O ASP A 70 -8.322 -11.527 -5.810 1.00 0.00 O ATOM 935 CB ASP A 70 -9.718 -8.565 -6.038 1.00 0.00 C ATOM 936 CG ASP A 70 -10.915 -9.426 -6.389 1.00 0.00 C ATOM 937 OD1 ASP A 70 -11.624 -9.864 -5.458 1.00 0.00 O ATOM 938 OD2 ASP A 70 -11.143 -9.661 -7.593 1.00 0.00 O ATOM 0 H ASP A 70 -7.984 -7.344 -4.782 1.00 0.00 H new ATOM 0 HA ASP A 70 -9.309 -9.754 -4.296 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -10.062 -7.642 -5.572 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -9.195 -8.285 -6.952 1.00 0.00 H new ATOM 942 N VAL A 71 -6.920 -9.932 -6.553 1.00 0.00 N ATOM 943 CA VAL A 71 -6.098 -10.858 -7.323 1.00 0.00 C ATOM 944 C VAL A 71 -5.337 -11.810 -6.406 1.00 0.00 C ATOM 945 O VAL A 71 -5.096 -12.964 -6.756 1.00 0.00 O ATOM 946 CB VAL A 71 -5.091 -10.108 -8.214 1.00 0.00 C ATOM 947 CG1 VAL A 71 -4.383 -11.074 -9.151 1.00 0.00 C ATOM 948 CG2 VAL A 71 -5.792 -9.009 -8.999 1.00 0.00 C ATOM 0 H VAL A 71 -6.617 -8.959 -6.601 1.00 0.00 H new ATOM 0 HA VAL A 71 -6.776 -11.431 -7.956 1.00 0.00 H new ATOM 0 HB VAL A 71 -4.340 -9.645 -7.574 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.675 -10.525 -9.773 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.848 -11.822 -8.566 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -5.117 -11.568 -9.787 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -5.066 -8.489 -9.624 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.565 -9.449 -9.630 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.248 -8.302 -8.307 1.00 0.00 H new ATOM 958 N ALA A 72 -4.963 -11.317 -5.230 1.00 0.00 N ATOM 959 CA ALA A 72 -4.232 -12.124 -4.261 1.00 0.00 C ATOM 960 C ALA A 72 -5.074 -13.300 -3.778 1.00 0.00 C ATOM 961 O ALA A 72 -4.621 -14.444 -3.785 1.00 0.00 O ATOM 962 CB ALA A 72 -3.795 -11.267 -3.083 1.00 0.00 C ATOM 0 H ALA A 72 -5.154 -10.363 -4.925 1.00 0.00 H new ATOM 0 HA ALA A 72 -3.346 -12.524 -4.754 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.250 -11.883 -2.367 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.148 -10.464 -3.437 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.673 -10.839 -2.599 1.00 0.00 H new ATOM 968 N GLN A 73 -6.302 -13.009 -3.361 1.00 0.00 N ATOM 969 CA GLN A 73 -7.207 -14.044 -2.873 1.00 0.00 C ATOM 970 C GLN A 73 -7.702 -14.918 -4.020 1.00 0.00 C ATOM 971 O GLN A 73 -7.922 -16.117 -3.850 1.00 0.00 O ATOM 972 CB GLN A 73 -8.396 -13.411 -2.149 1.00 0.00 C ATOM 973 CG GLN A 73 -7.993 -12.442 -1.048 1.00 0.00 C ATOM 974 CD GLN A 73 -9.162 -11.627 -0.531 1.00 0.00 C ATOM 975 OE1 GLN A 73 -9.764 -10.847 -1.269 1.00 0.00 O ATOM 976 NE2 GLN A 73 -9.489 -11.804 0.744 1.00 0.00 N ATOM 0 H GLN A 73 -6.693 -12.067 -3.351 1.00 0.00 H new ATOM 0 HA GLN A 73 -6.657 -14.672 -2.173 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -9.015 -12.885 -2.876 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -9.011 -14.201 -1.719 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -7.551 -13.000 -0.223 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -7.224 -11.768 -1.426 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -8.962 -12.461 1.319 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -10.267 -11.283 1.148 1.00 0.00 H new ATOM 983 N ALA A 74 -7.877 -14.309 -5.189 1.00 0.00 N ATOM 984 CA ALA A 74 -8.345 -15.034 -6.364 1.00 0.00 C ATOM 985 C ALA A 74 -7.288 -16.012 -6.864 1.00 0.00 C ATOM 986 O ALA A 74 -7.563 -17.197 -7.049 1.00 0.00 O ATOM 987 CB ALA A 74 -8.726 -14.057 -7.467 1.00 0.00 C ATOM 0 H ALA A 74 -7.702 -13.317 -5.347 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.227 -15.608 -6.079 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.074 -14.611 -8.339 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.521 -13.401 -7.113 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.856 -13.459 -7.740 1.00 0.00 H new ATOM 993 N ASN A 75 -6.077 -15.508 -7.080 1.00 0.00 N ATOM 994 CA ASN A 75 -4.978 -16.339 -7.559 1.00 0.00 C ATOM 995 C ASN A 75 -4.628 -17.419 -6.541 1.00 0.00 C ATOM 996 O ASN A 75 -4.240 -18.530 -6.906 1.00 0.00 O ATOM 997 CB ASN A 75 -3.748 -15.476 -7.848 1.00 0.00 C ATOM 998 CG ASN A 75 -3.835 -14.774 -9.189 1.00 0.00 C ATOM 999 OD1 ASN A 75 -4.936 -14.066 -9.415 1.00 0.00 O flip ATOM 1000 ND2 ASN A 75 -2.924 -14.867 -10.012 1.00 0.00 N flip ATOM 0 H ASN A 75 -5.832 -14.529 -6.931 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.298 -16.825 -8.481 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -3.636 -14.733 -7.059 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -2.856 -16.102 -7.826 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -2.096 -15.422 -9.796 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -2.997 -14.389 -10.910 1.00 0.00 H new ATOM 1006 N LEU A 76 -4.768 -17.087 -5.262 1.00 0.00 N ATOM 1007 CA LEU A 76 -4.468 -18.028 -4.189 1.00 0.00 C ATOM 1008 C LEU A 76 -5.618 -19.010 -3.989 1.00 0.00 C ATOM 1009 O LEU A 76 -5.418 -20.127 -3.513 1.00 0.00 O ATOM 1010 CB LEU A 76 -4.192 -17.276 -2.887 1.00 0.00 C ATOM 1011 CG LEU A 76 -2.842 -16.562 -2.797 1.00 0.00 C ATOM 1012 CD1 LEU A 76 -2.698 -15.859 -1.457 1.00 0.00 C ATOM 1013 CD2 LEU A 76 -1.702 -17.548 -3.009 1.00 0.00 C ATOM 0 H LEU A 76 -5.088 -16.172 -4.943 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.579 -18.591 -4.471 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.981 -16.538 -2.743 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.262 -17.983 -2.061 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.797 -15.810 -3.585 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -1.732 -15.357 -1.412 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.495 -15.124 -1.344 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -2.764 -16.592 -0.653 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.749 -17.023 -2.942 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.744 -18.323 -2.244 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.795 -18.006 -3.994 1.00 0.00 H new ATOM 1024 N GLY A 77 -6.823 -18.586 -4.357 1.00 0.00 N ATOM 1025 CA GLY A 77 -7.987 -19.440 -4.212 1.00 0.00 C ATOM 1026 C GLY A 77 -8.438 -19.566 -2.770 1.00 0.00 C ATOM 1027 O GLY A 77 -9.444 -18.977 -2.375 1.00 0.00 O ATOM 0 H GLY A 77 -7.014 -17.666 -4.753 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -8.805 -19.039 -4.811 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -7.758 -20.430 -4.606 1.00 0.00 H new ATOM 1031 N GLU A 78 -7.692 -20.334 -1.983 1.00 0.00 N ATOM 1032 CA GLU A 78 -8.023 -20.535 -0.577 1.00 0.00 C ATOM 1033 C GLU A 78 -8.219 -19.199 0.133 1.00 0.00 C ATOM 1034 O GLU A 78 -9.171 -19.022 0.892 1.00 0.00 O ATOM 1035 CB GLU A 78 -6.922 -21.339 0.119 1.00 0.00 C ATOM 1036 CG GLU A 78 -7.328 -22.765 0.454 1.00 0.00 C ATOM 1037 CD GLU A 78 -6.144 -23.638 0.820 1.00 0.00 C ATOM 1038 OE1 GLU A 78 -5.315 -23.198 1.644 1.00 0.00 O ATOM 1039 OE2 GLU A 78 -6.045 -24.761 0.282 1.00 0.00 O ATOM 0 H GLU A 78 -6.855 -20.827 -2.294 1.00 0.00 H new ATOM 0 HA GLU A 78 -8.958 -21.093 -0.527 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -6.041 -21.362 -0.522 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -6.635 -20.827 1.037 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -8.035 -22.752 1.283 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -7.846 -23.201 -0.400 1.00 0.00 H new ATOM 1044 N ALA A 79 -7.311 -18.263 -0.120 1.00 0.00 N ATOM 1045 CA ALA A 79 -7.384 -16.943 0.493 1.00 0.00 C ATOM 1046 C ALA A 79 -8.736 -16.289 0.230 1.00 0.00 C ATOM 1047 O ALA A 79 -9.193 -15.452 1.007 1.00 0.00 O ATOM 1048 CB ALA A 79 -6.258 -16.059 -0.022 1.00 0.00 C ATOM 0 H ALA A 79 -6.516 -18.394 -0.745 1.00 0.00 H new ATOM 0 HA ALA A 79 -7.272 -17.063 1.571 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -6.325 -15.076 0.444 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.298 -16.513 0.224 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -6.343 -15.954 -1.104 1.00 0.00 H new ATOM 1533 N ALA B 620 3.325 11.084 10.859 1.00 0.00 N ATOM 1534 CA ALA B 620 4.009 10.025 10.127 1.00 0.00 C ATOM 1535 C ALA B 620 3.629 8.650 10.668 1.00 0.00 C ATOM 1536 O ALA B 620 3.602 7.667 9.929 1.00 0.00 O ATOM 1537 CB ALA B 620 5.516 10.223 10.197 1.00 0.00 C ATOM 0 HA ALA B 620 3.695 10.077 9.085 1.00 0.00 H new ATOM 0 HB1 ALA B 620 6.014 9.425 9.646 1.00 0.00 H new ATOM 0 HB2 ALA B 620 5.777 11.185 9.757 1.00 0.00 H new ATOM 0 HB3 ALA B 620 5.838 10.201 11.238 1.00 0.00 H new ATOM 1543 N GLY B 621 3.337 8.589 11.964 1.00 0.00 N ATOM 1544 CA GLY B 621 2.963 7.330 12.582 1.00 0.00 C ATOM 1545 C GLY B 621 1.826 6.642 11.853 1.00 0.00 C ATOM 1546 O GLY B 621 1.827 5.420 11.700 1.00 0.00 O ATOM 0 H GLY B 621 3.353 9.389 12.597 1.00 0.00 H new ATOM 0 HA2 GLY B 621 3.829 6.669 12.605 1.00 0.00 H new ATOM 0 HA3 GLY B 621 2.671 7.509 13.617 1.00 0.00 H new ATOM 1550 N TYR B 622 0.853 7.427 11.404 1.00 0.00 N ATOM 1551 CA TYR B 622 -0.298 6.885 10.691 1.00 0.00 C ATOM 1552 C TYR B 622 0.143 6.117 9.449 1.00 0.00 C ATOM 1553 O TYR B 622 -0.170 4.937 9.292 1.00 0.00 O ATOM 1554 CB TYR B 622 -1.256 8.010 10.295 1.00 0.00 C ATOM 1555 CG TYR B 622 -2.528 8.039 11.113 1.00 0.00 C ATOM 1556 CD1 TYR B 622 -3.375 6.938 11.153 1.00 0.00 C ATOM 1557 CD2 TYR B 622 -2.882 9.166 11.844 1.00 0.00 C ATOM 1558 CE1 TYR B 622 -4.538 6.960 11.899 1.00 0.00 C ATOM 1559 CE2 TYR B 622 -4.042 9.196 12.593 1.00 0.00 C ATOM 1560 CZ TYR B 622 -4.867 8.091 12.617 1.00 0.00 C ATOM 1561 OH TYR B 622 -6.026 8.118 13.360 1.00 0.00 O ATOM 0 H TYR B 622 0.838 8.440 11.521 1.00 0.00 H new ATOM 0 HA TYR B 622 -0.815 6.195 11.359 1.00 0.00 H new ATOM 0 HB2 TYR B 622 -0.744 8.966 10.401 1.00 0.00 H new ATOM 0 HB3 TYR B 622 -1.514 7.902 9.241 1.00 0.00 H new ATOM 0 HD1 TYR B 622 -3.120 6.051 10.592 1.00 0.00 H new ATOM 0 HD2 TYR B 622 -2.239 10.034 11.826 1.00 0.00 H new ATOM 0 HE1 TYR B 622 -5.186 6.096 11.920 1.00 0.00 H new ATOM 0 HE2 TYR B 622 -4.302 10.080 13.157 1.00 0.00 H new ATOM 0 HH TYR B 622 -6.109 8.987 13.806 1.00 0.00 H new ATOM 1570 N ALA B 623 0.871 6.795 8.569 1.00 0.00 N ATOM 1571 CA ALA B 623 1.358 6.178 7.342 1.00 0.00 C ATOM 1572 C ALA B 623 2.176 4.927 7.644 1.00 0.00 C ATOM 1573 O ALA B 623 2.064 3.918 6.950 1.00 0.00 O ATOM 1574 CB ALA B 623 2.188 7.173 6.543 1.00 0.00 C ATOM 0 H ALA B 623 1.137 7.773 8.683 1.00 0.00 H new ATOM 0 HA ALA B 623 0.494 5.881 6.747 1.00 0.00 H new ATOM 0 HB1 ALA B 623 2.545 6.698 5.629 1.00 0.00 H new ATOM 0 HB2 ALA B 623 1.574 8.036 6.287 1.00 0.00 H new ATOM 0 HB3 ALA B 623 3.040 7.498 7.140 1.00 0.00 H new ATOM 1580 N GLY B 624 2.999 5.001 8.686 1.00 0.00 N ATOM 1581 CA GLY B 624 3.825 3.868 9.060 1.00 0.00 C ATOM 1582 C GLY B 624 3.018 2.597 9.240 1.00 0.00 C ATOM 1583 O GLY B 624 3.538 1.493 9.071 1.00 0.00 O ATOM 0 H GLY B 624 3.108 5.825 9.277 1.00 0.00 H new ATOM 0 HA2 GLY B 624 4.584 3.707 8.295 1.00 0.00 H new ATOM 0 HA3 GLY B 624 4.350 4.096 9.987 1.00 0.00 H new ATOM 1587 N THR B 625 1.745 2.751 9.586 1.00 0.00 N ATOM 1588 CA THR B 625 0.865 1.607 9.793 1.00 0.00 C ATOM 1589 C THR B 625 0.581 0.887 8.478 1.00 0.00 C ATOM 1590 O THR B 625 0.578 -0.343 8.422 1.00 0.00 O ATOM 1591 CB THR B 625 -0.472 2.033 10.429 1.00 0.00 C ATOM 1592 OG1 THR B 625 -0.235 2.645 11.702 1.00 0.00 O ATOM 1593 CG2 THR B 625 -1.396 0.836 10.600 1.00 0.00 C ATOM 0 H THR B 625 1.299 3.657 9.729 1.00 0.00 H new ATOM 0 HA THR B 625 1.383 0.930 10.472 1.00 0.00 H new ATOM 0 HB THR B 625 -0.953 2.751 9.765 1.00 0.00 H new ATOM 0 HG1 THR B 625 -1.089 2.915 12.099 1.00 0.00 H new ATOM 0 HG21 THR B 625 -2.333 1.162 11.051 1.00 0.00 H new ATOM 0 HG22 THR B 625 -1.597 0.390 9.626 1.00 0.00 H new ATOM 0 HG23 THR B 625 -0.920 0.098 11.246 1.00 0.00 H new ATOM 1601 N LEU B 626 0.346 1.661 7.425 1.00 0.00 N ATOM 1602 CA LEU B 626 0.062 1.096 6.110 1.00 0.00 C ATOM 1603 C LEU B 626 1.274 0.345 5.567 1.00 0.00 C ATOM 1604 O LEU B 626 1.147 -0.763 5.048 1.00 0.00 O ATOM 1605 CB LEU B 626 -0.345 2.204 5.135 1.00 0.00 C ATOM 1606 CG LEU B 626 -1.754 2.769 5.313 1.00 0.00 C ATOM 1607 CD1 LEU B 626 -2.786 1.651 5.282 1.00 0.00 C ATOM 1608 CD2 LEU B 626 -1.854 3.553 6.613 1.00 0.00 C ATOM 0 H LEU B 626 0.346 2.681 7.455 1.00 0.00 H new ATOM 0 HA LEU B 626 -0.762 0.391 6.214 1.00 0.00 H new ATOM 0 HB2 LEU B 626 0.368 3.023 5.229 1.00 0.00 H new ATOM 0 HB3 LEU B 626 -0.255 1.818 4.120 1.00 0.00 H new ATOM 0 HG LEU B 626 -1.959 3.448 4.486 1.00 0.00 H new ATOM 0 HD11 LEU B 626 -3.783 2.072 5.410 1.00 0.00 H new ATOM 0 HD12 LEU B 626 -2.732 1.132 4.325 1.00 0.00 H new ATOM 0 HD13 LEU B 626 -2.583 0.946 6.089 1.00 0.00 H new ATOM 0 HD21 LEU B 626 -2.864 3.948 6.723 1.00 0.00 H new ATOM 0 HD22 LEU B 626 -1.628 2.896 7.453 1.00 0.00 H new ATOM 0 HD23 LEU B 626 -1.142 4.378 6.596 1.00 0.00 H new ATOM 1619 N GLN B 627 2.448 0.957 5.693 1.00 0.00 N ATOM 1620 CA GLN B 627 3.682 0.345 5.215 1.00 0.00 C ATOM 1621 C GLN B 627 3.873 -1.041 5.824 1.00 0.00 C ATOM 1622 O GLN B 627 4.233 -1.991 5.129 1.00 0.00 O ATOM 1623 CB GLN B 627 4.881 1.233 5.554 1.00 0.00 C ATOM 1624 CG GLN B 627 6.038 1.090 4.579 1.00 0.00 C ATOM 1625 CD GLN B 627 6.826 2.375 4.418 1.00 0.00 C ATOM 1626 OE1 GLN B 627 6.719 3.290 5.235 1.00 0.00 O ATOM 1627 NE2 GLN B 627 7.628 2.450 3.361 1.00 0.00 N ATOM 0 H GLN B 627 2.570 1.875 6.121 1.00 0.00 H new ATOM 0 HA GLN B 627 3.611 0.240 4.132 1.00 0.00 H new ATOM 0 HB2 GLN B 627 4.558 2.274 5.572 1.00 0.00 H new ATOM 0 HB3 GLN B 627 5.230 0.990 6.558 1.00 0.00 H new ATOM 0 HG2 GLN B 627 6.705 0.300 4.925 1.00 0.00 H new ATOM 0 HG3 GLN B 627 5.654 0.780 3.607 1.00 0.00 H new ATOM 0 HE21 GLN B 627 7.686 1.668 2.709 1.00 0.00 H new ATOM 0 HE22 GLN B 627 8.185 3.289 3.202 1.00 0.00 H new ATOM 1634 N SER B 628 3.630 -1.149 7.126 1.00 0.00 N ATOM 1635 CA SER B 628 3.779 -2.418 7.830 1.00 0.00 C ATOM 1636 C SER B 628 2.764 -3.440 7.328 1.00 0.00 C ATOM 1637 O SER B 628 3.124 -4.555 6.947 1.00 0.00 O ATOM 1638 CB SER B 628 3.611 -2.213 9.336 1.00 0.00 C ATOM 1639 OG SER B 628 4.176 -3.290 10.064 1.00 0.00 O ATOM 0 H SER B 628 3.329 -0.373 7.715 1.00 0.00 H new ATOM 0 HA SER B 628 4.781 -2.799 7.632 1.00 0.00 H new ATOM 0 HB2 SER B 628 4.087 -1.279 9.634 1.00 0.00 H new ATOM 0 HB3 SER B 628 2.552 -2.122 9.578 1.00 0.00 H new ATOM 0 HG SER B 628 4.057 -3.134 11.024 1.00 0.00 H new ATOM 1644 N LEU B 629 1.493 -3.052 7.331 1.00 0.00 N ATOM 1645 CA LEU B 629 0.423 -3.933 6.877 1.00 0.00 C ATOM 1646 C LEU B 629 0.690 -4.426 5.458 1.00 0.00 C ATOM 1647 O LEU B 629 0.473 -5.597 5.145 1.00 0.00 O ATOM 1648 CB LEU B 629 -0.922 -3.206 6.931 1.00 0.00 C ATOM 1649 CG LEU B 629 -2.118 -4.042 7.390 1.00 0.00 C ATOM 1650 CD1 LEU B 629 -3.370 -3.181 7.468 1.00 0.00 C ATOM 1651 CD2 LEU B 629 -2.336 -5.220 6.452 1.00 0.00 C ATOM 0 H LEU B 629 1.179 -2.133 7.643 1.00 0.00 H new ATOM 0 HA LEU B 629 0.389 -4.796 7.543 1.00 0.00 H new ATOM 0 HB2 LEU B 629 -0.824 -2.351 7.600 1.00 0.00 H new ATOM 0 HB3 LEU B 629 -1.139 -2.811 5.938 1.00 0.00 H new ATOM 0 HG LEU B 629 -1.906 -4.431 8.386 1.00 0.00 H new ATOM 0 HD11 LEU B 629 -4.211 -3.791 7.796 1.00 0.00 H new ATOM 0 HD12 LEU B 629 -3.210 -2.371 8.179 1.00 0.00 H new ATOM 0 HD13 LEU B 629 -3.586 -2.763 6.485 1.00 0.00 H new ATOM 0 HD21 LEU B 629 -3.191 -5.804 6.794 1.00 0.00 H new ATOM 0 HD22 LEU B 629 -2.528 -4.852 5.444 1.00 0.00 H new ATOM 0 HD23 LEU B 629 -1.446 -5.849 6.445 1.00 0.00 H new ATOM 1662 N GLY B 630 1.164 -3.525 4.603 1.00 0.00 N ATOM 1663 CA GLY B 630 1.455 -3.889 3.228 1.00 0.00 C ATOM 1664 C GLY B 630 2.341 -5.114 3.127 1.00 0.00 C ATOM 1665 O GLY B 630 2.044 -6.043 2.378 1.00 0.00 O ATOM 0 H GLY B 630 1.352 -2.550 4.837 1.00 0.00 H new ATOM 0 HA2 GLY B 630 0.520 -4.076 2.700 1.00 0.00 H new ATOM 0 HA3 GLY B 630 1.941 -3.051 2.729 1.00 0.00 H new ATOM 1669 N ALA B 631 3.434 -5.116 3.883 1.00 0.00 N ATOM 1670 CA ALA B 631 4.367 -6.236 3.875 1.00 0.00 C ATOM 1671 C ALA B 631 3.704 -7.505 4.401 1.00 0.00 C ATOM 1672 O ALA B 631 3.983 -8.604 3.924 1.00 0.00 O ATOM 1673 CB ALA B 631 5.600 -5.902 4.700 1.00 0.00 C ATOM 0 H ALA B 631 3.695 -4.354 4.509 1.00 0.00 H new ATOM 0 HA ALA B 631 4.672 -6.416 2.844 1.00 0.00 H new ATOM 0 HB1 ALA B 631 6.288 -6.747 4.685 1.00 0.00 H new ATOM 0 HB2 ALA B 631 6.093 -5.026 4.279 1.00 0.00 H new ATOM 0 HB3 ALA B 631 5.304 -5.693 5.728 1.00 0.00 H new ATOM 1679 N GLU B 632 2.826 -7.344 5.385 1.00 0.00 N ATOM 1680 CA GLU B 632 2.125 -8.479 5.976 1.00 0.00 C ATOM 1681 C GLU B 632 1.384 -9.276 4.907 1.00 0.00 C ATOM 1682 O GLU B 632 1.405 -10.508 4.910 1.00 0.00 O ATOM 1683 CB GLU B 632 1.140 -7.998 7.043 1.00 0.00 C ATOM 1684 CG GLU B 632 1.789 -7.180 8.147 1.00 0.00 C ATOM 1685 CD GLU B 632 2.262 -8.036 9.307 1.00 0.00 C ATOM 1686 OE1 GLU B 632 2.854 -9.106 9.053 1.00 0.00 O ATOM 1687 OE2 GLU B 632 2.041 -7.634 10.468 1.00 0.00 O ATOM 0 H GLU B 632 2.583 -6.440 5.790 1.00 0.00 H new ATOM 0 HA GLU B 632 2.866 -9.129 6.442 1.00 0.00 H new ATOM 0 HB2 GLU B 632 0.365 -7.398 6.566 1.00 0.00 H new ATOM 0 HB3 GLU B 632 0.646 -8.863 7.486 1.00 0.00 H new ATOM 0 HG2 GLU B 632 2.636 -6.631 7.737 1.00 0.00 H new ATOM 0 HG3 GLU B 632 1.077 -6.441 8.513 1.00 0.00 H new ATOM 1692 N ILE B 633 0.728 -8.566 3.995 1.00 0.00 N ATOM 1693 CA ILE B 633 -0.019 -9.208 2.920 1.00 0.00 C ATOM 1694 C ILE B 633 0.921 -9.800 1.875 1.00 0.00 C ATOM 1695 O ILE B 633 0.619 -10.824 1.263 1.00 0.00 O ATOM 1696 CB ILE B 633 -0.977 -8.217 2.232 1.00 0.00 C ATOM 1697 CG1 ILE B 633 -1.972 -7.648 3.245 1.00 0.00 C ATOM 1698 CG2 ILE B 633 -1.710 -8.900 1.087 1.00 0.00 C ATOM 1699 CD1 ILE B 633 -2.780 -6.486 2.711 1.00 0.00 C ATOM 0 H ILE B 633 0.699 -7.547 3.979 1.00 0.00 H new ATOM 0 HA ILE B 633 -0.603 -10.009 3.374 1.00 0.00 H new ATOM 0 HB ILE B 633 -0.393 -7.392 1.824 1.00 0.00 H new ATOM 0 HG12 ILE B 633 -2.653 -8.440 3.558 1.00 0.00 H new ATOM 0 HG13 ILE B 633 -1.429 -7.325 4.133 1.00 0.00 H new ATOM 0 HG21 ILE B 633 -2.383 -8.188 0.610 1.00 0.00 H new ATOM 0 HG22 ILE B 633 -0.987 -9.261 0.356 1.00 0.00 H new ATOM 0 HG23 ILE B 633 -2.286 -9.741 1.474 1.00 0.00 H new ATOM 0 HD11 ILE B 633 -3.464 -6.133 3.483 1.00 0.00 H new ATOM 0 HD12 ILE B 633 -2.108 -5.677 2.425 1.00 0.00 H new ATOM 0 HD13 ILE B 633 -3.351 -6.809 1.840 1.00 0.00 H new ATOM 1710 N ALA B 634 2.061 -9.148 1.676 1.00 0.00 N ATOM 1711 CA ALA B 634 3.047 -9.611 0.707 1.00 0.00 C ATOM 1712 C ALA B 634 3.659 -10.939 1.140 1.00 0.00 C ATOM 1713 O ALA B 634 3.720 -11.890 0.360 1.00 0.00 O ATOM 1714 CB ALA B 634 4.134 -8.564 0.518 1.00 0.00 C ATOM 0 H ALA B 634 2.325 -8.297 2.173 1.00 0.00 H new ATOM 0 HA ALA B 634 2.539 -9.767 -0.245 1.00 0.00 H new ATOM 0 HB1 ALA B 634 4.863 -8.923 -0.208 1.00 0.00 H new ATOM 0 HB2 ALA B 634 3.688 -7.638 0.156 1.00 0.00 H new ATOM 0 HB3 ALA B 634 4.631 -8.380 1.470 1.00 0.00 H new ATOM 1720 N VAL B 635 4.112 -10.999 2.388 1.00 0.00 N ATOM 1721 CA VAL B 635 4.719 -12.211 2.925 1.00 0.00 C ATOM 1722 C VAL B 635 3.769 -13.398 2.811 1.00 0.00 C ATOM 1723 O VAL B 635 4.139 -14.453 2.296 1.00 0.00 O ATOM 1724 CB VAL B 635 5.123 -12.031 4.400 1.00 0.00 C ATOM 1725 CG1 VAL B 635 5.737 -13.311 4.946 1.00 0.00 C ATOM 1726 CG2 VAL B 635 6.086 -10.862 4.550 1.00 0.00 C ATOM 0 H VAL B 635 4.070 -10.221 3.047 1.00 0.00 H new ATOM 0 HA VAL B 635 5.613 -12.406 2.333 1.00 0.00 H new ATOM 0 HB VAL B 635 4.227 -11.811 4.979 1.00 0.00 H new ATOM 0 HG11 VAL B 635 6.016 -13.164 5.989 1.00 0.00 H new ATOM 0 HG12 VAL B 635 5.012 -14.122 4.875 1.00 0.00 H new ATOM 0 HG13 VAL B 635 6.624 -13.566 4.366 1.00 0.00 H new ATOM 0 HG21 VAL B 635 6.361 -10.749 5.599 1.00 0.00 H new ATOM 0 HG22 VAL B 635 6.982 -11.050 3.958 1.00 0.00 H new ATOM 0 HG23 VAL B 635 5.606 -9.948 4.201 1.00 0.00 H new ATOM 1736 N GLU B 636 2.545 -13.217 3.295 1.00 0.00 N ATOM 1737 CA GLU B 636 1.542 -14.275 3.247 1.00 0.00 C ATOM 1738 C GLU B 636 1.375 -14.803 1.825 1.00 0.00 C ATOM 1739 O GLU B 636 1.172 -15.999 1.616 1.00 0.00 O ATOM 1740 CB GLU B 636 0.200 -13.760 3.772 1.00 0.00 C ATOM 1741 CG GLU B 636 0.226 -13.381 5.242 1.00 0.00 C ATOM 1742 CD GLU B 636 0.287 -14.590 6.156 1.00 0.00 C ATOM 1743 OE1 GLU B 636 -0.602 -15.460 6.050 1.00 0.00 O ATOM 1744 OE2 GLU B 636 1.226 -14.666 6.976 1.00 0.00 O ATOM 0 H GLU B 636 2.224 -12.349 3.724 1.00 0.00 H new ATOM 0 HA GLU B 636 1.883 -15.093 3.882 1.00 0.00 H new ATOM 0 HB2 GLU B 636 -0.100 -12.891 3.187 1.00 0.00 H new ATOM 0 HB3 GLU B 636 -0.559 -14.526 3.617 1.00 0.00 H new ATOM 0 HG2 GLU B 636 1.088 -12.742 5.433 1.00 0.00 H new ATOM 0 HG3 GLU B 636 -0.663 -12.796 5.478 1.00 0.00 H new ATOM 1749 N GLN B 637 1.462 -13.903 0.851 1.00 0.00 N ATOM 1750 CA GLN B 637 1.320 -14.278 -0.551 1.00 0.00 C ATOM 1751 C GLN B 637 2.560 -15.015 -1.045 1.00 0.00 C ATOM 1752 O GLN B 637 2.471 -15.885 -1.911 1.00 0.00 O ATOM 1753 CB GLN B 637 1.075 -13.037 -1.410 1.00 0.00 C ATOM 1754 CG GLN B 637 1.754 -13.093 -2.769 1.00 0.00 C ATOM 1755 CD GLN B 637 3.198 -12.636 -2.719 1.00 0.00 C ATOM 1756 OE1 GLN B 637 4.103 -13.477 -3.204 1.00 0.00 O flip ATOM 1757 NE2 GLN B 637 3.498 -11.537 -2.249 1.00 0.00 N flip ATOM 0 H GLN B 637 1.630 -12.909 1.007 1.00 0.00 H new ATOM 0 HA GLN B 637 0.463 -14.946 -0.637 1.00 0.00 H new ATOM 0 HB2 GLN B 637 0.002 -12.912 -1.554 1.00 0.00 H new ATOM 0 HB3 GLN B 637 1.429 -12.158 -0.872 1.00 0.00 H new ATOM 0 HG2 GLN B 637 1.713 -14.114 -3.150 1.00 0.00 H new ATOM 0 HG3 GLN B 637 1.203 -12.468 -3.472 1.00 0.00 H new ATOM 0 HE21 GLN B 637 2.770 -10.921 -1.887 1.00 0.00 H new ATOM 0 HE22 GLN B 637 4.474 -11.243 -2.222 1.00 0.00 H new ATOM 1764 N ALA B 638 3.714 -14.663 -0.488 1.00 0.00 N ATOM 1765 CA ALA B 638 4.972 -15.294 -0.871 1.00 0.00 C ATOM 1766 C ALA B 638 5.077 -16.701 -0.296 1.00 0.00 C ATOM 1767 O ALA B 638 5.793 -17.548 -0.829 1.00 0.00 O ATOM 1768 CB ALA B 638 6.148 -14.443 -0.415 1.00 0.00 C ATOM 0 H ALA B 638 3.804 -13.944 0.230 1.00 0.00 H new ATOM 0 HA ALA B 638 4.996 -15.373 -1.958 1.00 0.00 H new ATOM 0 HB1 ALA B 638 7.081 -14.925 -0.707 1.00 0.00 H new ATOM 0 HB2 ALA B 638 6.087 -13.459 -0.880 1.00 0.00 H new ATOM 0 HB3 ALA B 638 6.120 -14.334 0.669 1.00 0.00 H new ATOM 1774 N ALA B 639 4.362 -16.944 0.798 1.00 0.00 N ATOM 1775 CA ALA B 639 4.375 -18.249 1.447 1.00 0.00 C ATOM 1776 C ALA B 639 3.462 -19.231 0.721 1.00 0.00 C ATOM 1777 O ALA B 639 3.650 -20.446 0.802 1.00 0.00 O ATOM 1778 CB ALA B 639 3.961 -18.119 2.905 1.00 0.00 C ATOM 0 H ALA B 639 3.766 -16.253 1.254 1.00 0.00 H new ATOM 0 HA ALA B 639 5.392 -18.638 1.404 1.00 0.00 H new ATOM 0 HB1 ALA B 639 3.975 -19.102 3.376 1.00 0.00 H new ATOM 0 HB2 ALA B 639 4.656 -17.458 3.423 1.00 0.00 H new ATOM 0 HB3 ALA B 639 2.955 -17.704 2.962 1.00 0.00 H new ATOM 1784 N LEU B 640 2.471 -18.699 0.013 1.00 0.00 N ATOM 1785 CA LEU B 640 1.528 -19.530 -0.727 1.00 0.00 C ATOM 1786 C LEU B 640 1.798 -19.457 -2.227 1.00 0.00 C ATOM 1787 O LEU B 640 0.899 -19.671 -3.039 1.00 0.00 O ATOM 1788 CB LEU B 640 0.092 -19.089 -0.434 1.00 0.00 C ATOM 1789 CG LEU B 640 -0.239 -18.815 1.033 1.00 0.00 C ATOM 1790 CD1 LEU B 640 -1.545 -18.044 1.151 1.00 0.00 C ATOM 1791 CD2 LEU B 640 -0.315 -20.118 1.816 1.00 0.00 C ATOM 0 H LEU B 640 2.300 -17.696 -0.064 1.00 0.00 H new ATOM 0 HA LEU B 640 1.659 -20.562 -0.403 1.00 0.00 H new ATOM 0 HB2 LEU B 640 -0.113 -18.185 -1.007 1.00 0.00 H new ATOM 0 HB3 LEU B 640 -0.586 -19.860 -0.801 1.00 0.00 H new ATOM 0 HG LEU B 640 0.559 -18.206 1.457 1.00 0.00 H new ATOM 0 HD11 LEU B 640 -1.764 -17.858 2.202 1.00 0.00 H new ATOM 0 HD12 LEU B 640 -1.455 -17.093 0.626 1.00 0.00 H new ATOM 0 HD13 LEU B 640 -2.353 -18.627 0.710 1.00 0.00 H new ATOM 0 HD21 LEU B 640 -0.552 -19.903 2.858 1.00 0.00 H new ATOM 0 HD22 LEU B 640 -1.092 -20.753 1.391 1.00 0.00 H new ATOM 0 HD23 LEU B 640 0.644 -20.632 1.760 1.00 0.00 H new ATOM 1802 N GLN B 641 3.042 -19.156 -2.585 1.00 0.00 N ATOM 1803 CA GLN B 641 3.430 -19.057 -3.987 1.00 0.00 C ATOM 1804 C GLN B 641 3.018 -20.309 -4.755 1.00 0.00 C ATOM 1805 O GLN B 641 2.428 -20.222 -5.832 1.00 0.00 O ATOM 1806 CB GLN B 641 4.940 -18.844 -4.106 1.00 0.00 C ATOM 1807 CG GLN B 641 5.392 -17.451 -3.698 1.00 0.00 C ATOM 1808 CD GLN B 641 5.242 -16.439 -4.817 1.00 0.00 C ATOM 1809 OE1 GLN B 641 6.177 -16.199 -5.583 1.00 0.00 O ATOM 1810 NE2 GLN B 641 4.062 -15.838 -4.917 1.00 0.00 N ATOM 0 H GLN B 641 3.798 -18.977 -1.924 1.00 0.00 H new ATOM 0 HA GLN B 641 2.915 -18.201 -4.422 1.00 0.00 H new ATOM 0 HB2 GLN B 641 5.452 -19.579 -3.486 1.00 0.00 H new ATOM 0 HB3 GLN B 641 5.244 -19.029 -5.136 1.00 0.00 H new ATOM 0 HG2 GLN B 641 4.812 -17.123 -2.836 1.00 0.00 H new ATOM 0 HG3 GLN B 641 6.435 -17.489 -3.384 1.00 0.00 H new ATOM 0 HE21 GLN B 641 3.316 -16.067 -4.261 1.00 0.00 H new ATOM 0 HE22 GLN B 641 3.902 -15.147 -5.650 1.00 0.00 H new ATOM 1817 N SER B 642 3.334 -21.472 -4.195 1.00 0.00 N ATOM 1818 CA SER B 642 3.001 -22.742 -4.829 1.00 0.00 C ATOM 1819 C SER B 642 1.506 -22.830 -5.117 1.00 0.00 C ATOM 1820 O SER B 642 1.078 -23.535 -6.030 1.00 0.00 O ATOM 1821 CB SER B 642 3.430 -23.909 -3.938 1.00 0.00 C ATOM 1822 OG SER B 642 2.465 -24.162 -2.931 1.00 0.00 O ATOM 0 H SER B 642 3.821 -21.561 -3.303 1.00 0.00 H new ATOM 0 HA SER B 642 3.539 -22.800 -5.775 1.00 0.00 H new ATOM 0 HB2 SER B 642 3.569 -24.803 -4.546 1.00 0.00 H new ATOM 0 HB3 SER B 642 4.392 -23.684 -3.477 1.00 0.00 H new ATOM 0 HG SER B 642 2.761 -24.913 -2.376 1.00 0.00 H new ATOM 1827 N ALA B 643 0.715 -22.106 -4.331 1.00 0.00 N ATOM 1828 CA ALA B 643 -0.733 -22.099 -4.503 1.00 0.00 C ATOM 1829 C ALA B 643 -1.150 -21.142 -5.614 1.00 0.00 C ATOM 1830 O ALA B 643 -2.143 -21.374 -6.303 1.00 0.00 O ATOM 1831 CB ALA B 643 -1.417 -21.724 -3.196 1.00 0.00 C ATOM 0 H ALA B 643 1.052 -21.517 -3.569 1.00 0.00 H new ATOM 0 HA ALA B 643 -1.045 -23.103 -4.789 1.00 0.00 H new ATOM 0 HB1 ALA B 643 -2.498 -21.722 -3.338 1.00 0.00 H new ATOM 0 HB2 ALA B 643 -1.153 -22.449 -2.426 1.00 0.00 H new ATOM 0 HB3 ALA B 643 -1.090 -20.731 -2.886 1.00 0.00 H new ATOM 1837 N TRP B 644 -0.386 -20.069 -5.782 1.00 0.00 N ATOM 1838 CA TRP B 644 -0.678 -19.076 -6.810 1.00 0.00 C ATOM 1839 C TRP B 644 -0.849 -19.739 -8.173 1.00 0.00 C ATOM 1840 O TRP B 644 -0.234 -20.767 -8.453 1.00 0.00 O ATOM 1841 CB TRP B 644 0.439 -18.034 -6.873 1.00 0.00 C ATOM 1842 CG TRP B 644 0.075 -16.821 -7.674 1.00 0.00 C ATOM 1843 CD1 TRP B 644 0.126 -16.691 -9.033 1.00 0.00 C ATOM 1844 CD2 TRP B 644 -0.394 -15.567 -7.166 1.00 0.00 C ATOM 1845 NE1 TRP B 644 -0.283 -15.431 -9.400 1.00 0.00 N ATOM 1846 CE2 TRP B 644 -0.608 -14.723 -8.273 1.00 0.00 C ATOM 1847 CE3 TRP B 644 -0.656 -15.077 -5.884 1.00 0.00 C ATOM 1848 CZ2 TRP B 644 -1.071 -13.417 -8.134 1.00 0.00 C ATOM 1849 CZ3 TRP B 644 -1.115 -13.780 -5.748 1.00 0.00 C ATOM 1850 CH2 TRP B 644 -1.319 -12.962 -6.868 1.00 0.00 C ATOM 0 H TRP B 644 0.440 -19.864 -5.220 1.00 0.00 H new ATOM 0 HA TRP B 644 -1.613 -18.581 -6.547 1.00 0.00 H new ATOM 0 HB2 TRP B 644 0.697 -17.727 -5.860 1.00 0.00 H new ATOM 0 HB3 TRP B 644 1.329 -18.492 -7.304 1.00 0.00 H new ATOM 0 HD1 TRP B 644 0.441 -17.464 -9.718 1.00 0.00 H new ATOM 0 HE1 TRP B 644 -0.336 -15.080 -10.356 1.00 0.00 H new ATOM 0 HE3 TRP B 644 -0.503 -15.700 -5.015 1.00 0.00 H new ATOM 0 HZ2 TRP B 644 -1.229 -12.785 -8.996 1.00 0.00 H new ATOM 0 HZ3 TRP B 644 -1.320 -13.390 -4.762 1.00 0.00 H new ATOM 0 HH2 TRP B 644 -1.679 -11.953 -6.729 1.00 0.00 H new ATOM 1860 N GLN B 645 -1.688 -19.144 -9.014 1.00 0.00 N ATOM 1861 CA GLN B 645 -1.940 -19.678 -10.347 1.00 0.00 C ATOM 1862 C GLN B 645 -1.022 -19.027 -11.376 1.00 0.00 C ATOM 1863 O GLN B 645 -0.156 -19.683 -11.954 1.00 0.00 O ATOM 1864 CB GLN B 645 -3.402 -19.459 -10.739 1.00 0.00 C ATOM 1865 CG GLN B 645 -4.392 -20.056 -9.754 1.00 0.00 C ATOM 1866 CD GLN B 645 -4.586 -21.547 -9.950 1.00 0.00 C ATOM 1867 OE1 GLN B 645 -5.303 -21.977 -10.852 1.00 0.00 O ATOM 1868 NE2 GLN B 645 -3.944 -22.344 -9.103 1.00 0.00 N ATOM 0 H GLN B 645 -2.205 -18.292 -8.796 1.00 0.00 H new ATOM 0 HA GLN B 645 -1.733 -20.748 -10.328 1.00 0.00 H new ATOM 0 HB2 GLN B 645 -3.590 -18.389 -10.826 1.00 0.00 H new ATOM 0 HB3 GLN B 645 -3.575 -19.894 -11.723 1.00 0.00 H new ATOM 0 HG2 GLN B 645 -4.044 -19.870 -8.738 1.00 0.00 H new ATOM 0 HG3 GLN B 645 -5.353 -19.552 -9.860 1.00 0.00 H new ATOM 0 HE21 GLN B 645 -3.359 -21.943 -8.369 1.00 0.00 H new ATOM 0 HE22 GLN B 645 -4.036 -23.356 -9.186 1.00 0.00 H new ATOM 1875 N GLY B 646 -1.217 -17.731 -11.602 1.00 0.00 N ATOM 1876 CA GLY B 646 -0.400 -17.013 -12.561 1.00 0.00 C ATOM 1877 C GLY B 646 -1.027 -16.972 -13.941 1.00 0.00 C ATOM 1878 O GLY B 646 -0.735 -16.078 -14.736 1.00 0.00 O ATOM 0 H GLY B 646 -1.927 -17.166 -11.137 1.00 0.00 H new ATOM 0 HA2 GLY B 646 -0.241 -15.994 -12.207 1.00 0.00 H new ATOM 0 HA3 GLY B 646 0.580 -17.485 -12.624 1.00 0.00 H new ATOM 1882 N ASP B 647 -1.889 -17.941 -14.226 1.00 0.00 N ATOM 1883 CA ASP B 647 -2.559 -18.012 -15.520 1.00 0.00 C ATOM 1884 C ASP B 647 -3.939 -17.366 -15.452 1.00 0.00 C ATOM 1885 O ASP B 647 -4.836 -17.711 -16.222 1.00 0.00 O ATOM 1886 CB ASP B 647 -2.684 -19.467 -15.974 1.00 0.00 C ATOM 1887 CG ASP B 647 -2.704 -19.603 -17.483 1.00 0.00 C ATOM 1888 OD1 ASP B 647 -1.616 -19.736 -18.081 1.00 0.00 O ATOM 1889 OD2 ASP B 647 -3.807 -19.574 -18.067 1.00 0.00 O ATOM 0 H ASP B 647 -2.141 -18.688 -13.579 1.00 0.00 H new ATOM 0 HA ASP B 647 -1.957 -17.465 -16.245 1.00 0.00 H new ATOM 0 HB2 ASP B 647 -1.851 -20.043 -15.571 1.00 0.00 H new ATOM 0 HB3 ASP B 647 -3.597 -19.896 -15.561 1.00 0.00 H new ATOM 1893 N THR B 648 -4.104 -16.427 -14.527 1.00 0.00 N ATOM 1894 CA THR B 648 -5.375 -15.734 -14.357 1.00 0.00 C ATOM 1895 C THR B 648 -5.238 -14.248 -14.669 1.00 0.00 C ATOM 1896 O THR B 648 -6.200 -13.597 -15.074 1.00 0.00 O ATOM 1897 CB THR B 648 -5.918 -15.898 -12.925 1.00 0.00 C ATOM 1898 OG1 THR B 648 -5.086 -15.189 -12.001 1.00 0.00 O ATOM 1899 CG2 THR B 648 -5.978 -17.367 -12.535 1.00 0.00 C ATOM 0 H THR B 648 -3.372 -16.128 -13.883 1.00 0.00 H new ATOM 0 HA THR B 648 -6.077 -16.186 -15.058 1.00 0.00 H new ATOM 0 HB THR B 648 -6.927 -15.487 -12.894 1.00 0.00 H new ATOM 0 HG1 THR B 648 -5.583 -15.024 -11.173 1.00 0.00 H new ATOM 0 HG21 THR B 648 -6.364 -17.458 -11.520 1.00 0.00 H new ATOM 0 HG22 THR B 648 -6.635 -17.899 -13.223 1.00 0.00 H new ATOM 0 HG23 THR B 648 -4.978 -17.797 -12.583 1.00 0.00 H new ATOM 1907 N GLY B 649 -4.034 -13.718 -14.477 1.00 0.00 N ATOM 1908 CA GLY B 649 -3.793 -12.311 -14.743 1.00 0.00 C ATOM 1909 C GLY B 649 -2.440 -11.850 -14.241 1.00 0.00 C ATOM 1910 O GLY B 649 -1.524 -11.612 -15.030 1.00 0.00 O ATOM 0 H GLY B 649 -3.222 -14.237 -14.142 1.00 0.00 H new ATOM 0 HA2 GLY B 649 -3.860 -12.131 -15.816 1.00 0.00 H new ATOM 0 HA3 GLY B 649 -4.574 -11.716 -14.270 1.00 0.00 H new ATOM 1914 N ILE B 650 -2.311 -11.720 -12.924 1.00 0.00 N ATOM 1915 CA ILE B 650 -1.060 -11.283 -12.318 1.00 0.00 C ATOM 1916 C ILE B 650 -0.219 -12.474 -11.873 1.00 0.00 C ATOM 1917 O ILE B 650 -0.695 -13.348 -11.146 1.00 0.00 O ATOM 1918 CB ILE B 650 -1.311 -10.365 -11.108 1.00 0.00 C ATOM 1919 CG1 ILE B 650 -2.113 -9.133 -11.531 1.00 0.00 C ATOM 1920 CG2 ILE B 650 0.009 -9.952 -10.473 1.00 0.00 C ATOM 1921 CD1 ILE B 650 -2.410 -8.184 -10.393 1.00 0.00 C ATOM 0 H ILE B 650 -3.058 -11.911 -12.257 1.00 0.00 H new ATOM 0 HA ILE B 650 -0.518 -10.724 -13.081 1.00 0.00 H new ATOM 0 HB ILE B 650 -1.891 -10.916 -10.368 1.00 0.00 H new ATOM 0 HG12 ILE B 650 -1.561 -8.598 -12.304 1.00 0.00 H new ATOM 0 HG13 ILE B 650 -3.053 -9.457 -11.977 1.00 0.00 H new ATOM 0 HG21 ILE B 650 -0.185 -9.303 -9.619 1.00 0.00 H new ATOM 0 HG22 ILE B 650 0.546 -10.840 -10.139 1.00 0.00 H new ATOM 0 HG23 ILE B 650 0.613 -9.417 -11.205 1.00 0.00 H new ATOM 0 HD11 ILE B 650 -2.981 -7.334 -10.767 1.00 0.00 H new ATOM 0 HD12 ILE B 650 -2.989 -8.702 -9.629 1.00 0.00 H new ATOM 0 HD13 ILE B 650 -1.474 -7.830 -9.961 1.00 0.00 H new ATOM 1932 N THR B 651 1.036 -12.504 -12.312 1.00 0.00 N ATOM 1933 CA THR B 651 1.944 -13.588 -11.957 1.00 0.00 C ATOM 1934 C THR B 651 2.568 -13.357 -10.586 1.00 0.00 C ATOM 1935 O THR B 651 2.586 -12.232 -10.083 1.00 0.00 O ATOM 1936 CB THR B 651 3.065 -13.743 -13.001 1.00 0.00 C ATOM 1937 OG1 THR B 651 2.713 -13.055 -14.206 1.00 0.00 O ATOM 1938 CG2 THR B 651 3.321 -15.212 -13.306 1.00 0.00 C ATOM 0 H THR B 651 1.446 -11.790 -12.914 1.00 0.00 H new ATOM 0 HA THR B 651 1.351 -14.503 -11.932 1.00 0.00 H new ATOM 0 HB THR B 651 3.976 -13.309 -12.589 1.00 0.00 H new ATOM 0 HG1 THR B 651 3.432 -13.158 -14.863 1.00 0.00 H new ATOM 0 HG21 THR B 651 4.117 -15.297 -14.046 1.00 0.00 H new ATOM 0 HG22 THR B 651 3.619 -15.727 -12.392 1.00 0.00 H new ATOM 0 HG23 THR B 651 2.411 -15.666 -13.698 1.00 0.00 H new ATOM 1946 N TYR B 652 3.081 -14.425 -9.987 1.00 0.00 N ATOM 1947 CA TYR B 652 3.705 -14.338 -8.672 1.00 0.00 C ATOM 1948 C TYR B 652 4.763 -13.239 -8.643 1.00 0.00 C ATOM 1949 O TYR B 652 4.863 -12.486 -7.676 1.00 0.00 O ATOM 1950 CB TYR B 652 4.337 -15.679 -8.295 1.00 0.00 C ATOM 1951 CG TYR B 652 5.386 -16.152 -9.276 1.00 0.00 C ATOM 1952 CD1 TYR B 652 5.029 -16.866 -10.413 1.00 0.00 C ATOM 1953 CD2 TYR B 652 6.733 -15.883 -9.066 1.00 0.00 C ATOM 1954 CE1 TYR B 652 5.984 -17.301 -11.312 1.00 0.00 C ATOM 1955 CE2 TYR B 652 7.694 -16.313 -9.961 1.00 0.00 C ATOM 1956 CZ TYR B 652 7.315 -17.022 -11.081 1.00 0.00 C ATOM 1957 OH TYR B 652 8.269 -17.452 -11.975 1.00 0.00 O ATOM 0 H TYR B 652 3.077 -15.362 -10.391 1.00 0.00 H new ATOM 0 HA TYR B 652 2.930 -14.091 -7.946 1.00 0.00 H new ATOM 0 HB2 TYR B 652 4.789 -15.593 -7.307 1.00 0.00 H new ATOM 0 HB3 TYR B 652 3.553 -16.433 -8.223 1.00 0.00 H new ATOM 0 HD1 TYR B 652 3.988 -17.085 -10.597 1.00 0.00 H new ATOM 0 HD2 TYR B 652 7.034 -15.329 -8.189 1.00 0.00 H new ATOM 0 HE1 TYR B 652 5.690 -17.856 -12.190 1.00 0.00 H new ATOM 0 HE2 TYR B 652 8.737 -16.095 -9.784 1.00 0.00 H new ATOM 0 HH TYR B 652 9.156 -17.173 -11.666 1.00 0.00 H new ATOM 1966 N GLN B 653 5.549 -13.155 -9.712 1.00 0.00 N ATOM 1967 CA GLN B 653 6.600 -12.149 -9.809 1.00 0.00 C ATOM 1968 C GLN B 653 6.007 -10.768 -10.072 1.00 0.00 C ATOM 1969 O GLN B 653 6.433 -9.776 -9.480 1.00 0.00 O ATOM 1970 CB GLN B 653 7.583 -12.515 -10.922 1.00 0.00 C ATOM 1971 CG GLN B 653 6.927 -12.691 -12.281 1.00 0.00 C ATOM 1972 CD GLN B 653 7.560 -13.802 -13.096 1.00 0.00 C ATOM 1973 OE1 GLN B 653 8.697 -14.202 -12.842 1.00 0.00 O ATOM 1974 NE2 GLN B 653 6.826 -14.307 -14.081 1.00 0.00 N ATOM 0 H GLN B 653 5.478 -13.771 -10.522 1.00 0.00 H new ATOM 0 HA GLN B 653 7.132 -12.121 -8.858 1.00 0.00 H new ATOM 0 HB2 GLN B 653 8.344 -11.738 -10.993 1.00 0.00 H new ATOM 0 HB3 GLN B 653 8.095 -13.439 -10.653 1.00 0.00 H new ATOM 0 HG2 GLN B 653 5.867 -12.905 -12.143 1.00 0.00 H new ATOM 0 HG3 GLN B 653 6.994 -11.755 -12.836 1.00 0.00 H new ATOM 0 HE21 GLN B 653 5.889 -13.945 -14.256 1.00 0.00 H new ATOM 0 HE22 GLN B 653 7.200 -15.057 -14.663 1.00 0.00 H new ATOM 1981 N ALA B 654 5.024 -10.711 -10.964 1.00 0.00 N ATOM 1982 CA ALA B 654 4.372 -9.452 -11.304 1.00 0.00 C ATOM 1983 C ALA B 654 3.728 -8.818 -10.076 1.00 0.00 C ATOM 1984 O ALA B 654 3.837 -7.611 -9.858 1.00 0.00 O ATOM 1985 CB ALA B 654 3.334 -9.672 -12.393 1.00 0.00 C ATOM 0 H ALA B 654 4.661 -11.522 -11.465 1.00 0.00 H new ATOM 0 HA ALA B 654 5.133 -8.767 -11.677 1.00 0.00 H new ATOM 0 HB1 ALA B 654 2.855 -8.723 -12.636 1.00 0.00 H new ATOM 0 HB2 ALA B 654 3.820 -10.072 -13.283 1.00 0.00 H new ATOM 0 HB3 ALA B 654 2.582 -10.378 -12.041 1.00 0.00 H new ATOM 1991 N TRP B 655 3.056 -9.640 -9.277 1.00 0.00 N ATOM 1992 CA TRP B 655 2.392 -9.158 -8.070 1.00 0.00 C ATOM 1993 C TRP B 655 3.409 -8.634 -7.063 1.00 0.00 C ATOM 1994 O TRP B 655 3.285 -7.513 -6.571 1.00 0.00 O ATOM 1995 CB TRP B 655 1.560 -10.277 -7.441 1.00 0.00 C ATOM 1996 CG TRP B 655 0.602 -9.789 -6.397 1.00 0.00 C ATOM 1997 CD1 TRP B 655 -0.732 -9.545 -6.558 1.00 0.00 C ATOM 1998 CD2 TRP B 655 0.905 -9.483 -5.031 1.00 0.00 C ATOM 1999 NE1 TRP B 655 -1.277 -9.107 -5.376 1.00 0.00 N ATOM 2000 CE2 TRP B 655 -0.294 -9.061 -4.423 1.00 0.00 C ATOM 2001 CE3 TRP B 655 2.070 -9.528 -4.262 1.00 0.00 C ATOM 2002 CZ2 TRP B 655 -0.357 -8.685 -3.084 1.00 0.00 C ATOM 2003 CZ3 TRP B 655 2.006 -9.154 -2.933 1.00 0.00 C ATOM 2004 CH2 TRP B 655 0.800 -8.738 -2.355 1.00 0.00 C ATOM 0 H TRP B 655 2.956 -10.642 -9.442 1.00 0.00 H new ATOM 0 HA TRP B 655 1.731 -8.338 -8.350 1.00 0.00 H new ATOM 0 HB2 TRP B 655 1.002 -10.790 -8.225 1.00 0.00 H new ATOM 0 HB3 TRP B 655 2.230 -11.011 -6.994 1.00 0.00 H new ATOM 0 HD1 TRP B 655 -1.278 -9.677 -7.480 1.00 0.00 H new ATOM 0 HE1 TRP B 655 -2.255 -8.857 -5.231 1.00 0.00 H new ATOM 0 HE3 TRP B 655 3.004 -9.849 -4.698 1.00 0.00 H new ATOM 0 HZ2 TRP B 655 -1.286 -8.363 -2.637 1.00 0.00 H new ATOM 0 HZ3 TRP B 655 2.901 -9.183 -2.330 1.00 0.00 H new ATOM 0 HH2 TRP B 655 0.783 -8.453 -1.313 1.00 0.00 H new ATOM 2014 N GLN B 656 4.412 -9.451 -6.760 1.00 0.00 N ATOM 2015 CA GLN B 656 5.449 -9.068 -5.810 1.00 0.00 C ATOM 2016 C GLN B 656 6.048 -7.714 -6.175 1.00 0.00 C ATOM 2017 O GLN B 656 6.493 -6.967 -5.304 1.00 0.00 O ATOM 2018 CB GLN B 656 6.549 -10.131 -5.768 1.00 0.00 C ATOM 2019 CG GLN B 656 6.210 -11.322 -4.887 1.00 0.00 C ATOM 2020 CD GLN B 656 7.219 -11.533 -3.775 1.00 0.00 C ATOM 2021 OE1 GLN B 656 6.920 -11.318 -2.600 1.00 0.00 O ATOM 2022 NE2 GLN B 656 8.424 -11.956 -4.141 1.00 0.00 N ATOM 0 H GLN B 656 4.529 -10.383 -7.159 1.00 0.00 H new ATOM 0 HA GLN B 656 4.992 -8.989 -4.824 1.00 0.00 H new ATOM 0 HB2 GLN B 656 6.742 -10.483 -6.782 1.00 0.00 H new ATOM 0 HB3 GLN B 656 7.471 -9.674 -5.408 1.00 0.00 H new ATOM 0 HG2 GLN B 656 5.221 -11.177 -4.452 1.00 0.00 H new ATOM 0 HG3 GLN B 656 6.159 -12.221 -5.502 1.00 0.00 H new ATOM 0 HE21 GLN B 656 8.629 -12.122 -5.126 1.00 0.00 H new ATOM 0 HE22 GLN B 656 9.144 -12.115 -3.437 1.00 0.00 H new ATOM 2029 N ALA B 657 6.056 -7.405 -7.467 1.00 0.00 N ATOM 2030 CA ALA B 657 6.599 -6.140 -7.947 1.00 0.00 C ATOM 2031 C ALA B 657 5.548 -5.036 -7.893 1.00 0.00 C ATOM 2032 O ALA B 657 5.813 -3.938 -7.404 1.00 0.00 O ATOM 2033 CB ALA B 657 7.132 -6.297 -9.363 1.00 0.00 C ATOM 0 H ALA B 657 5.693 -8.013 -8.201 1.00 0.00 H new ATOM 0 HA ALA B 657 7.422 -5.854 -7.292 1.00 0.00 H new ATOM 0 HB1 ALA B 657 7.534 -5.344 -9.708 1.00 0.00 H new ATOM 0 HB2 ALA B 657 7.921 -7.049 -9.374 1.00 0.00 H new ATOM 0 HB3 ALA B 657 6.323 -6.610 -10.024 1.00 0.00 H new ATOM 2039 N GLN B 658 4.356 -5.335 -8.401 1.00 0.00 N ATOM 2040 CA GLN B 658 3.267 -4.367 -8.413 1.00 0.00 C ATOM 2041 C GLN B 658 2.929 -3.911 -6.997 1.00 0.00 C ATOM 2042 O GLN B 658 2.891 -2.713 -6.713 1.00 0.00 O ATOM 2043 CB GLN B 658 2.027 -4.969 -9.075 1.00 0.00 C ATOM 2044 CG GLN B 658 1.918 -4.657 -10.559 1.00 0.00 C ATOM 2045 CD GLN B 658 0.819 -5.446 -11.242 1.00 0.00 C ATOM 2046 OE1 GLN B 658 -0.312 -4.976 -11.369 1.00 0.00 O ATOM 2047 NE2 GLN B 658 1.145 -6.653 -11.688 1.00 0.00 N ATOM 0 H GLN B 658 4.121 -6.240 -8.809 1.00 0.00 H new ATOM 0 HA GLN B 658 3.593 -3.500 -8.988 1.00 0.00 H new ATOM 0 HB2 GLN B 658 2.042 -6.050 -8.940 1.00 0.00 H new ATOM 0 HB3 GLN B 658 1.137 -4.596 -8.567 1.00 0.00 H new ATOM 0 HG2 GLN B 658 1.730 -3.591 -10.689 1.00 0.00 H new ATOM 0 HG3 GLN B 658 2.870 -4.874 -11.043 1.00 0.00 H new ATOM 0 HE21 GLN B 658 2.094 -7.004 -11.562 1.00 0.00 H new ATOM 0 HE22 GLN B 658 0.446 -7.229 -12.157 1.00 0.00 H new ATOM 2054 N TRP B 659 2.687 -4.871 -6.113 1.00 0.00 N ATOM 2055 CA TRP B 659 2.352 -4.567 -4.726 1.00 0.00 C ATOM 2056 C TRP B 659 3.380 -3.624 -4.113 1.00 0.00 C ATOM 2057 O TRP B 659 3.026 -2.669 -3.423 1.00 0.00 O ATOM 2058 CB TRP B 659 2.270 -5.855 -3.906 1.00 0.00 C ATOM 2059 CG TRP B 659 1.847 -5.630 -2.486 1.00 0.00 C ATOM 2060 CD1 TRP B 659 2.663 -5.500 -1.398 1.00 0.00 C ATOM 2061 CD2 TRP B 659 0.505 -5.508 -2.000 1.00 0.00 C ATOM 2062 NE1 TRP B 659 1.909 -5.306 -0.266 1.00 0.00 N ATOM 2063 CE2 TRP B 659 0.582 -5.306 -0.609 1.00 0.00 C ATOM 2064 CE3 TRP B 659 -0.753 -5.549 -2.606 1.00 0.00 C ATOM 2065 CZ2 TRP B 659 -0.550 -5.147 0.184 1.00 0.00 C ATOM 2066 CZ3 TRP B 659 -1.877 -5.391 -1.818 1.00 0.00 C ATOM 2067 CH2 TRP B 659 -1.770 -5.191 -0.435 1.00 0.00 C ATOM 0 H TRP B 659 2.716 -5.867 -6.331 1.00 0.00 H new ATOM 0 HA TRP B 659 1.380 -4.074 -4.712 1.00 0.00 H new ATOM 0 HB2 TRP B 659 1.566 -6.537 -4.383 1.00 0.00 H new ATOM 0 HB3 TRP B 659 3.244 -6.345 -3.914 1.00 0.00 H new ATOM 0 HD1 TRP B 659 3.742 -5.543 -1.424 1.00 0.00 H new ATOM 0 HE1 TRP B 659 2.277 -5.182 0.677 1.00 0.00 H new ATOM 0 HE3 TRP B 659 -0.845 -5.701 -3.671 1.00 0.00 H new ATOM 0 HZ2 TRP B 659 -0.469 -4.994 1.250 1.00 0.00 H new ATOM 0 HZ3 TRP B 659 -2.855 -5.422 -2.276 1.00 0.00 H new ATOM 0 HH2 TRP B 659 -2.667 -5.069 0.154 1.00 0.00 H new ATOM 2077 N ASN B 660 4.656 -3.898 -4.368 1.00 0.00 N ATOM 2078 CA ASN B 660 5.736 -3.073 -3.839 1.00 0.00 C ATOM 2079 C ASN B 660 5.570 -1.619 -4.270 1.00 0.00 C ATOM 2080 O ASN B 660 5.602 -0.709 -3.442 1.00 0.00 O ATOM 2081 CB ASN B 660 7.090 -3.605 -4.312 1.00 0.00 C ATOM 2082 CG ASN B 660 8.150 -3.529 -3.230 1.00 0.00 C ATOM 2083 OD1 ASN B 660 7.854 -3.674 -2.043 1.00 0.00 O ATOM 2084 ND2 ASN B 660 9.394 -3.301 -3.635 1.00 0.00 N ATOM 0 H ASN B 660 4.967 -4.685 -4.938 1.00 0.00 H new ATOM 0 HA ASN B 660 5.695 -3.118 -2.751 1.00 0.00 H new ATOM 0 HB2 ASN B 660 6.978 -4.640 -4.635 1.00 0.00 H new ATOM 0 HB3 ASN B 660 7.419 -3.034 -5.180 1.00 0.00 H new ATOM 0 HD21 ASN B 660 10.149 -3.240 -2.952 1.00 0.00 H new ATOM 0 HD22 ASN B 660 9.594 -3.187 -4.629 1.00 0.00 H new ATOM 2090 N GLN B 661 5.391 -1.410 -5.570 1.00 0.00 N ATOM 2091 CA GLN B 661 5.220 -0.066 -6.110 1.00 0.00 C ATOM 2092 C GLN B 661 3.983 0.604 -5.522 1.00 0.00 C ATOM 2093 O GLN B 661 4.033 1.756 -5.091 1.00 0.00 O ATOM 2094 CB GLN B 661 5.111 -0.117 -7.635 1.00 0.00 C ATOM 2095 CG GLN B 661 6.381 -0.595 -8.320 1.00 0.00 C ATOM 2096 CD GLN B 661 7.442 0.486 -8.405 1.00 0.00 C ATOM 2097 OE1 GLN B 661 7.251 1.507 -9.066 1.00 0.00 O ATOM 2098 NE2 GLN B 661 8.566 0.267 -7.735 1.00 0.00 N ATOM 0 H GLN B 661 5.361 -2.153 -6.268 1.00 0.00 H new ATOM 0 HA GLN B 661 6.095 0.523 -5.835 1.00 0.00 H new ATOM 0 HB2 GLN B 661 4.289 -0.778 -7.910 1.00 0.00 H new ATOM 0 HB3 GLN B 661 4.860 0.876 -8.006 1.00 0.00 H new ATOM 0 HG2 GLN B 661 6.782 -1.450 -7.777 1.00 0.00 H new ATOM 0 HG3 GLN B 661 6.139 -0.941 -9.325 1.00 0.00 H new ATOM 0 HE21 GLN B 661 8.681 -0.594 -7.200 1.00 0.00 H new ATOM 0 HE22 GLN B 661 9.315 0.959 -7.755 1.00 0.00 H new ATOM 2105 N ALA B 662 2.871 -0.125 -5.509 1.00 0.00 N ATOM 2106 CA ALA B 662 1.621 0.398 -4.972 1.00 0.00 C ATOM 2107 C ALA B 662 1.780 0.812 -3.514 1.00 0.00 C ATOM 2108 O ALA B 662 1.481 1.948 -3.145 1.00 0.00 O ATOM 2109 CB ALA B 662 0.514 -0.636 -5.111 1.00 0.00 C ATOM 0 H ALA B 662 2.811 -1.079 -5.864 1.00 0.00 H new ATOM 0 HA ALA B 662 1.350 1.284 -5.546 1.00 0.00 H new ATOM 0 HB1 ALA B 662 -0.414 -0.232 -4.706 1.00 0.00 H new ATOM 0 HB2 ALA B 662 0.374 -0.880 -6.164 1.00 0.00 H new ATOM 0 HB3 ALA B 662 0.787 -1.538 -4.563 1.00 0.00 H new ATOM 2115 N MET B 663 2.253 -0.115 -2.688 1.00 0.00 N ATOM 2116 CA MET B 663 2.452 0.155 -1.268 1.00 0.00 C ATOM 2117 C MET B 663 3.308 1.402 -1.068 1.00 0.00 C ATOM 2118 O MET B 663 2.935 2.308 -0.323 1.00 0.00 O ATOM 2119 CB MET B 663 3.110 -1.046 -0.586 1.00 0.00 C ATOM 2120 CG MET B 663 2.433 -1.452 0.713 1.00 0.00 C ATOM 2121 SD MET B 663 0.737 -2.014 0.467 1.00 0.00 S ATOM 2122 CE MET B 663 -0.113 -1.097 1.749 1.00 0.00 C ATOM 0 H MET B 663 2.506 -1.060 -2.977 1.00 0.00 H new ATOM 0 HA MET B 663 1.476 0.329 -0.815 1.00 0.00 H new ATOM 0 HB2 MET B 663 3.100 -1.893 -1.272 1.00 0.00 H new ATOM 0 HB3 MET B 663 4.155 -0.811 -0.384 1.00 0.00 H new ATOM 0 HG2 MET B 663 3.010 -2.247 1.186 1.00 0.00 H new ATOM 0 HG3 MET B 663 2.435 -0.605 1.399 1.00 0.00 H new ATOM 0 HE1 MET B 663 -1.189 -1.241 1.647 1.00 0.00 H new ATOM 0 HE2 MET B 663 0.210 -1.454 2.727 1.00 0.00 H new ATOM 0 HE3 MET B 663 0.122 -0.037 1.655 1.00 0.00 H new ATOM 2130 N GLU B 664 4.456 1.439 -1.736 1.00 0.00 N ATOM 2131 CA GLU B 664 5.365 2.575 -1.628 1.00 0.00 C ATOM 2132 C GLU B 664 4.642 3.881 -1.942 1.00 0.00 C ATOM 2133 O GLU B 664 4.957 4.928 -1.376 1.00 0.00 O ATOM 2134 CB GLU B 664 6.553 2.397 -2.576 1.00 0.00 C ATOM 2135 CG GLU B 664 7.792 3.168 -2.151 1.00 0.00 C ATOM 2136 CD GLU B 664 9.026 2.291 -2.067 1.00 0.00 C ATOM 2137 OE1 GLU B 664 9.197 1.607 -1.036 1.00 0.00 O ATOM 2138 OE2 GLU B 664 9.820 2.289 -3.030 1.00 0.00 O ATOM 0 H GLU B 664 4.779 0.697 -2.357 1.00 0.00 H new ATOM 0 HA GLU B 664 5.731 2.619 -0.602 1.00 0.00 H new ATOM 0 HB2 GLU B 664 6.799 1.337 -2.641 1.00 0.00 H new ATOM 0 HB3 GLU B 664 6.261 2.718 -3.576 1.00 0.00 H new ATOM 0 HG2 GLU B 664 7.973 3.976 -2.860 1.00 0.00 H new ATOM 0 HG3 GLU B 664 7.612 3.630 -1.180 1.00 0.00 H new ATOM 2143 N ASP B 665 3.672 3.812 -2.847 1.00 0.00 N ATOM 2144 CA ASP B 665 2.904 4.989 -3.236 1.00 0.00 C ATOM 2145 C ASP B 665 1.939 5.398 -2.128 1.00 0.00 C ATOM 2146 O ASP B 665 1.788 6.583 -1.827 1.00 0.00 O ATOM 2147 CB ASP B 665 2.132 4.716 -4.527 1.00 0.00 C ATOM 2148 CG ASP B 665 1.795 5.987 -5.281 1.00 0.00 C ATOM 2149 OD1 ASP B 665 1.233 6.913 -4.661 1.00 0.00 O ATOM 2150 OD2 ASP B 665 2.094 6.056 -6.492 1.00 0.00 O ATOM 0 H ASP B 665 3.399 2.953 -3.325 1.00 0.00 H new ATOM 0 HA ASP B 665 3.602 5.809 -3.406 1.00 0.00 H new ATOM 0 HB2 ASP B 665 2.723 4.062 -5.169 1.00 0.00 H new ATOM 0 HB3 ASP B 665 1.211 4.183 -4.290 1.00 0.00 H new ATOM 2154 N LEU B 666 1.286 4.411 -1.525 1.00 0.00 N ATOM 2155 CA LEU B 666 0.334 4.667 -0.450 1.00 0.00 C ATOM 2156 C LEU B 666 1.017 5.349 0.731 1.00 0.00 C ATOM 2157 O LEU B 666 0.593 6.417 1.175 1.00 0.00 O ATOM 2158 CB LEU B 666 -0.315 3.360 0.006 1.00 0.00 C ATOM 2159 CG LEU B 666 -0.972 2.518 -1.089 1.00 0.00 C ATOM 2160 CD1 LEU B 666 -0.996 1.051 -0.690 1.00 0.00 C ATOM 2161 CD2 LEU B 666 -2.379 3.019 -1.375 1.00 0.00 C ATOM 0 H LEU B 666 1.398 3.425 -1.762 1.00 0.00 H new ATOM 0 HA LEU B 666 -0.439 5.334 -0.833 1.00 0.00 H new ATOM 0 HB2 LEU B 666 0.445 2.752 0.497 1.00 0.00 H new ATOM 0 HB3 LEU B 666 -1.069 3.595 0.757 1.00 0.00 H new ATOM 0 HG LEU B 666 -0.382 2.616 -2.000 1.00 0.00 H new ATOM 0 HD11 LEU B 666 -1.467 0.467 -1.480 1.00 0.00 H new ATOM 0 HD12 LEU B 666 0.024 0.699 -0.537 1.00 0.00 H new ATOM 0 HD13 LEU B 666 -1.563 0.934 0.234 1.00 0.00 H new ATOM 0 HD21 LEU B 666 -2.831 2.408 -2.157 1.00 0.00 H new ATOM 0 HD22 LEU B 666 -2.980 2.952 -0.468 1.00 0.00 H new ATOM 0 HD23 LEU B 666 -2.336 4.057 -1.705 1.00 0.00 H new ATOM 2172 N VAL B 667 2.078 4.727 1.234 1.00 0.00 N ATOM 2173 CA VAL B 667 2.822 5.275 2.362 1.00 0.00 C ATOM 2174 C VAL B 667 3.397 6.646 2.026 1.00 0.00 C ATOM 2175 O VAL B 667 3.435 7.539 2.873 1.00 0.00 O ATOM 2176 CB VAL B 667 3.970 4.338 2.785 1.00 0.00 C ATOM 2177 CG1 VAL B 667 3.418 3.037 3.346 1.00 0.00 C ATOM 2178 CG2 VAL B 667 4.899 4.071 1.611 1.00 0.00 C ATOM 0 H VAL B 667 2.442 3.843 0.878 1.00 0.00 H new ATOM 0 HA VAL B 667 2.119 5.372 3.189 1.00 0.00 H new ATOM 0 HB VAL B 667 4.546 4.828 3.570 1.00 0.00 H new ATOM 0 HG11 VAL B 667 4.243 2.388 3.639 1.00 0.00 H new ATOM 0 HG12 VAL B 667 2.797 3.250 4.216 1.00 0.00 H new ATOM 0 HG13 VAL B 667 2.817 2.539 2.585 1.00 0.00 H new ATOM 0 HG21 VAL B 667 5.704 3.408 1.927 1.00 0.00 H new ATOM 0 HG22 VAL B 667 4.338 3.601 0.803 1.00 0.00 H new ATOM 0 HG23 VAL B 667 5.322 5.012 1.260 1.00 0.00 H new ATOM 2188 N ARG B 668 3.844 6.806 0.785 1.00 0.00 N ATOM 2189 CA ARG B 668 4.419 8.069 0.337 1.00 0.00 C ATOM 2190 C ARG B 668 3.343 9.145 0.220 1.00 0.00 C ATOM 2191 O ARG B 668 3.599 10.323 0.467 1.00 0.00 O ATOM 2192 CB ARG B 668 5.120 7.886 -1.010 1.00 0.00 C ATOM 2193 CG ARG B 668 6.547 7.375 -0.889 1.00 0.00 C ATOM 2194 CD ARG B 668 7.256 7.381 -2.234 1.00 0.00 C ATOM 2195 NE ARG B 668 8.547 8.062 -2.170 1.00 0.00 N ATOM 2196 CZ ARG B 668 9.378 8.160 -3.202 1.00 0.00 C ATOM 2197 NH1 ARG B 668 9.055 7.626 -4.371 1.00 0.00 N ATOM 2198 NH2 ARG B 668 10.535 8.796 -3.064 1.00 0.00 N ATOM 0 H ARG B 668 3.819 6.077 0.072 1.00 0.00 H new ATOM 0 HA ARG B 668 5.150 8.389 1.079 1.00 0.00 H new ATOM 0 HB2 ARG B 668 4.544 7.189 -1.618 1.00 0.00 H new ATOM 0 HB3 ARG B 668 5.128 8.839 -1.539 1.00 0.00 H new ATOM 0 HG2 ARG B 668 7.098 7.996 -0.183 1.00 0.00 H new ATOM 0 HG3 ARG B 668 6.539 6.363 -0.485 1.00 0.00 H new ATOM 0 HD2 ARG B 668 7.404 6.355 -2.570 1.00 0.00 H new ATOM 0 HD3 ARG B 668 6.624 7.871 -2.975 1.00 0.00 H new ATOM 0 HE ARG B 668 8.826 8.485 -1.285 1.00 0.00 H new ATOM 0 HH11 ARG B 668 8.166 7.138 -4.481 1.00 0.00 H new ATOM 0 HH12 ARG B 668 9.695 7.703 -5.161 1.00 0.00 H new ATOM 0 HH21 ARG B 668 10.786 9.209 -2.166 1.00 0.00 H new ATOM 0 HH22 ARG B 668 11.173 8.871 -3.856 1.00 0.00 H new ATOM 2209 N ALA B 669 2.138 8.731 -0.158 1.00 0.00 N ATOM 2210 CA ALA B 669 1.023 9.658 -0.306 1.00 0.00 C ATOM 2211 C ALA B 669 0.779 10.434 0.984 1.00 0.00 C ATOM 2212 O ALA B 669 0.699 11.663 0.975 1.00 0.00 O ATOM 2213 CB ALA B 669 -0.235 8.909 -0.719 1.00 0.00 C ATOM 0 H ALA B 669 1.909 7.759 -0.367 1.00 0.00 H new ATOM 0 HA ALA B 669 1.279 10.374 -1.087 1.00 0.00 H new ATOM 0 HB1 ALA B 669 -1.060 9.614 -0.826 1.00 0.00 H new ATOM 0 HB2 ALA B 669 -0.063 8.405 -1.670 1.00 0.00 H new ATOM 0 HB3 ALA B 669 -0.485 8.170 0.043 1.00 0.00 H new ATOM 2219 N TYR B 670 0.661 9.710 2.091 1.00 0.00 N ATOM 2220 CA TYR B 670 0.423 10.331 3.389 1.00 0.00 C ATOM 2221 C TYR B 670 1.469 11.403 3.680 1.00 0.00 C ATOM 2222 O TYR B 670 1.137 12.520 4.077 1.00 0.00 O ATOM 2223 CB TYR B 670 0.439 9.274 4.494 1.00 0.00 C ATOM 2224 CG TYR B 670 0.066 9.815 5.855 1.00 0.00 C ATOM 2225 CD1 TYR B 670 0.986 10.520 6.622 1.00 0.00 C ATOM 2226 CD2 TYR B 670 -1.208 9.624 6.375 1.00 0.00 C ATOM 2227 CE1 TYR B 670 0.650 11.017 7.866 1.00 0.00 C ATOM 2228 CE2 TYR B 670 -1.555 10.118 7.618 1.00 0.00 C ATOM 2229 CZ TYR B 670 -0.622 10.814 8.360 1.00 0.00 C ATOM 2230 OH TYR B 670 -0.961 11.307 9.599 1.00 0.00 O ATOM 0 H TYR B 670 0.726 8.692 2.116 1.00 0.00 H new ATOM 0 HA TYR B 670 -0.558 10.804 3.362 1.00 0.00 H new ATOM 0 HB2 TYR B 670 -0.251 8.473 4.229 1.00 0.00 H new ATOM 0 HB3 TYR B 670 1.434 8.832 4.548 1.00 0.00 H new ATOM 0 HD1 TYR B 670 1.982 10.682 6.238 1.00 0.00 H new ATOM 0 HD2 TYR B 670 -1.940 9.080 5.797 1.00 0.00 H new ATOM 0 HE1 TYR B 670 1.379 11.561 8.449 1.00 0.00 H new ATOM 0 HE2 TYR B 670 -2.550 9.960 8.007 1.00 0.00 H new ATOM 0 HH TYR B 670 -1.893 11.079 9.798 1.00 0.00 H new ATOM 2239 N HIS B 671 2.736 11.055 3.478 1.00 0.00 N ATOM 2240 CA HIS B 671 3.833 11.986 3.716 1.00 0.00 C ATOM 2241 C HIS B 671 3.683 13.235 2.852 1.00 0.00 C ATOM 2242 O HIS B 671 4.080 14.329 3.250 1.00 0.00 O ATOM 2243 CB HIS B 671 5.174 11.312 3.431 1.00 0.00 C ATOM 2244 CG HIS B 671 6.203 11.552 4.493 1.00 0.00 C ATOM 2245 ND1 HIS B 671 6.435 10.673 5.530 1.00 0.00 N ATOM 2246 CD2 HIS B 671 7.066 12.580 4.674 1.00 0.00 C ATOM 2247 CE1 HIS B 671 7.394 11.150 6.303 1.00 0.00 C ATOM 2248 NE2 HIS B 671 7.794 12.307 5.805 1.00 0.00 N ATOM 0 H HIS B 671 3.028 10.135 3.150 1.00 0.00 H new ATOM 0 HA HIS B 671 3.802 12.285 4.764 1.00 0.00 H new ATOM 0 HB2 HIS B 671 5.017 10.239 3.325 1.00 0.00 H new ATOM 0 HB3 HIS B 671 5.557 11.673 2.477 1.00 0.00 H new ATOM 0 HD2 HIS B 671 7.163 13.453 4.045 1.00 0.00 H new ATOM 0 HE1 HIS B 671 7.785 10.675 7.191 1.00 0.00 H new ATOM 0 HE2 HIS B 671 8.525 12.901 6.197 1.00 0.00 H new ATOM 2255 N ALA B 672 3.109 13.061 1.665 1.00 0.00 N ATOM 2256 CA ALA B 672 2.908 14.173 0.745 1.00 0.00 C ATOM 2257 C ALA B 672 2.169 15.321 1.424 1.00 0.00 C ATOM 2258 O ALA B 672 2.366 16.487 1.083 1.00 0.00 O ATOM 2259 CB ALA B 672 2.143 13.707 -0.486 1.00 0.00 C ATOM 0 H ALA B 672 2.776 12.161 1.319 1.00 0.00 H new ATOM 0 HA ALA B 672 3.887 14.538 0.436 1.00 0.00 H new ATOM 0 HB1 ALA B 672 2.000 14.547 -1.165 1.00 0.00 H new ATOM 0 HB2 ALA B 672 2.709 12.925 -0.992 1.00 0.00 H new ATOM 0 HB3 ALA B 672 1.172 13.315 -0.184 1.00 0.00 H new ATOM 2265 N MET B 673 1.317 14.983 2.387 1.00 0.00 N ATOM 2266 CA MET B 673 0.550 15.986 3.115 1.00 0.00 C ATOM 2267 C MET B 673 1.468 16.873 3.950 1.00 0.00 C ATOM 2268 O MET B 673 1.190 18.054 4.154 1.00 0.00 O ATOM 2269 CB MET B 673 -0.487 15.313 4.017 1.00 0.00 C ATOM 2270 CG MET B 673 -1.270 16.291 4.878 1.00 0.00 C ATOM 2271 SD MET B 673 -2.659 15.511 5.724 1.00 0.00 S ATOM 2272 CE MET B 673 -1.831 14.161 6.562 1.00 0.00 C ATOM 0 H MET B 673 1.141 14.022 2.681 1.00 0.00 H new ATOM 0 HA MET B 673 0.035 16.611 2.386 1.00 0.00 H new ATOM 0 HB2 MET B 673 -1.184 14.749 3.397 1.00 0.00 H new ATOM 0 HB3 MET B 673 0.017 14.595 4.664 1.00 0.00 H new ATOM 0 HG2 MET B 673 -0.602 16.735 5.616 1.00 0.00 H new ATOM 0 HG3 MET B 673 -1.640 17.104 4.253 1.00 0.00 H new ATOM 0 HE1 MET B 673 -2.495 13.739 7.316 1.00 0.00 H new ATOM 0 HE2 MET B 673 -1.567 13.390 5.838 1.00 0.00 H new ATOM 0 HE3 MET B 673 -0.926 14.532 7.043 1.00 0.00 H new