USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=18 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+ -140:sc= -0.0197 (180deg=-0.678) USER MOD Set 1.2: B 658 GLN : amide:sc= -1.24 K(o=-1.3,f=-6.3!) USER MOD Set 2.1: A 75 ASN : amide:sc= -1.53 K(o=-1.7,f=-6.8!) USER MOD Set 2.2: B 648 THR OG1 : rot 150:sc= -0.206 USER MOD Set 3.1: A 66 ASN : amide:sc= -0.362 X(o=0.34,f=0.7) USER MOD Set 3.2: A 67 THR OG1 : rot 83:sc= 0.704 USER MOD Single : A 21 LYS NZ :NH3+ -118:sc= 0.293 (180deg=-3.01!) USER MOD Single : A 25 MET CE :methyl -127:sc= -2.72 (180deg=-11.1!) USER MOD Single : A 27 HIS : no HD1:sc= -0.272 K(o=-0.27,f=-1) USER MOD Single : A 28 THR OG1 : rot 66:sc= 0.448 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 GLN : amide:sc= -0.221 K(o=-0.22,f=-1.4!) USER MOD Single : A 55 HIS :FLIP no HD1:sc= -0.152 F(o=-0.81,f=-0.15) USER MOD Single : A 73 GLN :FLIP amide:sc= -0.11 F(o=-0.61,f=-0.11) 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 K(o=0,f=-0.6) USER MOD Single : B 628 SER OG : rot 180:sc= 0 USER MOD Single : B 637 GLN :FLIP amide:sc= -0.443 F(o=-0.96,f=-0.44) USER MOD Single : B 641 GLN : amide:sc= -0.781 K(o=-0.78,f=-1.7) USER MOD Single : B 642 SER OG : rot 180:sc= 0 USER MOD Single : B 645 GLN : amide:sc= -0.661 X(o=-0.66,f=-0.28) 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= 0 K(o=0,f=-0.63) USER MOD Single : B 656 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 660 ASN : amide:sc= 0.0861 X(o=0.086,f=0) USER MOD Single : B 661 GLN : amide:sc= -0.0295 K(o=-0.03,f=-0.9) USER MOD Single : B 663 MET CE :methyl -173:sc= -2.1 (180deg=-2.76!) USER MOD Single : B 670 TYR OH : rot 180:sc= -0.0739 USER MOD Single : B 671 HIS : no HD1:sc=-0.00408 X(o=-0.0041,f=-0.15) USER MOD Single : B 673 MET CE :methyl -151:sc= -0.145 (180deg=-0.834) USER MOD ----------------------------------------------------------------- ATOM 222 N ALA A 17 -7.096 -16.330 5.841 1.00 0.00 N ATOM 223 CA ALA A 17 -6.322 -15.304 6.529 1.00 0.00 C ATOM 224 C ALA A 17 -6.058 -14.111 5.617 1.00 0.00 C ATOM 225 O ALA A 17 -5.859 -12.990 6.087 1.00 0.00 O ATOM 226 CB ALA A 17 -5.009 -15.884 7.036 1.00 0.00 C ATOM 0 HA ALA A 17 -6.905 -14.955 7.381 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -4.441 -15.107 7.548 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -5.215 -16.699 7.730 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.429 -16.262 6.194 1.00 0.00 H new ATOM 232 N PHE A 18 -6.058 -14.359 4.312 1.00 0.00 N ATOM 233 CA PHE A 18 -5.817 -13.305 3.333 1.00 0.00 C ATOM 234 C PHE A 18 -6.997 -12.338 3.274 1.00 0.00 C ATOM 235 O PHE A 18 -6.814 -11.122 3.238 1.00 0.00 O ATOM 236 CB PHE A 18 -5.569 -13.911 1.950 1.00 0.00 C ATOM 237 CG PHE A 18 -5.040 -12.923 0.950 1.00 0.00 C ATOM 238 CD1 PHE A 18 -5.865 -11.945 0.418 1.00 0.00 C ATOM 239 CD2 PHE A 18 -3.717 -12.972 0.541 1.00 0.00 C ATOM 240 CE1 PHE A 18 -5.381 -11.036 -0.503 1.00 0.00 C ATOM 241 CE2 PHE A 18 -3.226 -12.064 -0.379 1.00 0.00 C ATOM 242 CZ PHE A 18 -4.060 -11.095 -0.901 1.00 0.00 C ATOM 0 H PHE A 18 -6.222 -15.281 3.907 1.00 0.00 H new ATOM 0 HA PHE A 18 -4.931 -12.751 3.643 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.862 -14.735 2.044 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -6.501 -14.333 1.574 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -6.899 -11.893 0.727 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -3.061 -13.729 0.946 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -6.035 -10.280 -0.911 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -2.192 -12.113 -0.689 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.680 -10.384 -1.620 1.00 0.00 H new ATOM 251 N ALA A 19 -8.205 -12.890 3.262 1.00 0.00 N ATOM 252 CA ALA A 19 -9.415 -12.077 3.209 1.00 0.00 C ATOM 253 C ALA A 19 -9.508 -11.150 4.415 1.00 0.00 C ATOM 254 O ALA A 19 -9.865 -9.980 4.284 1.00 0.00 O ATOM 255 CB ALA A 19 -10.646 -12.969 3.129 1.00 0.00 C ATOM 0 H ALA A 19 -8.373 -13.896 3.288 1.00 0.00 H new ATOM 0 HA ALA A 19 -9.369 -11.458 2.313 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -11.542 -12.350 3.090 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -10.591 -13.585 2.231 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -10.687 -13.612 4.008 1.00 0.00 H new ATOM 261 N ALA A 20 -9.186 -11.681 5.590 1.00 0.00 N ATOM 262 CA ALA A 20 -9.231 -10.900 6.820 1.00 0.00 C ATOM 263 C ALA A 20 -8.392 -9.633 6.697 1.00 0.00 C ATOM 264 O ALA A 20 -8.774 -8.572 7.192 1.00 0.00 O ATOM 265 CB ALA A 20 -8.755 -11.739 7.997 1.00 0.00 C ATOM 0 H ALA A 20 -8.891 -12.649 5.716 1.00 0.00 H new ATOM 0 HA ALA A 20 -10.265 -10.604 6.995 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.794 -11.142 8.908 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -9.399 -12.611 8.106 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -7.730 -12.065 7.821 1.00 0.00 H new ATOM 271 N LYS A 21 -7.246 -9.750 6.036 1.00 0.00 N ATOM 272 CA LYS A 21 -6.351 -8.615 5.847 1.00 0.00 C ATOM 273 C LYS A 21 -6.874 -7.686 4.756 1.00 0.00 C ATOM 274 O LYS A 21 -6.616 -6.482 4.777 1.00 0.00 O ATOM 275 CB LYS A 21 -4.945 -9.100 5.487 1.00 0.00 C ATOM 276 CG LYS A 21 -4.319 -9.990 6.547 1.00 0.00 C ATOM 277 CD LYS A 21 -3.043 -9.382 7.103 1.00 0.00 C ATOM 278 CE LYS A 21 -3.309 -8.040 7.769 1.00 0.00 C ATOM 279 NZ LYS A 21 -2.508 -7.870 9.012 1.00 0.00 N ATOM 0 H LYS A 21 -6.915 -10.621 5.621 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.308 -8.060 6.784 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.988 -9.647 4.545 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.302 -8.235 5.324 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.031 -10.148 7.357 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.101 -10.968 6.119 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.598 -10.066 7.825 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.319 -9.253 6.298 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.073 -7.236 7.072 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.370 -7.956 8.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.147 -7.770 9.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.900 -8.702 9.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.916 -7.019 8.930 1.00 0.00 H new ATOM 289 N ALA A 22 -7.610 -8.252 3.806 1.00 0.00 N ATOM 290 CA ALA A 22 -8.172 -7.473 2.709 1.00 0.00 C ATOM 291 C ALA A 22 -9.133 -6.409 3.227 1.00 0.00 C ATOM 292 O ALA A 22 -9.028 -5.236 2.871 1.00 0.00 O ATOM 293 CB ALA A 22 -8.879 -8.388 1.719 1.00 0.00 C ATOM 0 H ALA A 22 -7.831 -9.247 3.773 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.352 -6.968 2.199 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.294 -7.793 0.905 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.166 -9.107 1.316 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.684 -8.920 2.226 1.00 0.00 H new ATOM 299 N GLY A 23 -10.073 -6.826 4.071 1.00 0.00 N ATOM 300 CA GLY A 23 -11.039 -5.896 4.624 1.00 0.00 C ATOM 301 C GLY A 23 -10.427 -4.965 5.652 1.00 0.00 C ATOM 302 O GLY A 23 -10.923 -3.859 5.871 1.00 0.00 O ATOM 0 H GLY A 23 -10.182 -7.792 4.381 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.473 -5.306 3.817 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.854 -6.455 5.084 1.00 0.00 H new ATOM 306 N LEU A 24 -9.347 -5.412 6.283 1.00 0.00 N ATOM 307 CA LEU A 24 -8.666 -4.611 7.295 1.00 0.00 C ATOM 308 C LEU A 24 -7.803 -3.534 6.646 1.00 0.00 C ATOM 309 O LEU A 24 -7.580 -2.471 7.225 1.00 0.00 O ATOM 310 CB LEU A 24 -7.802 -5.506 8.186 1.00 0.00 C ATOM 311 CG LEU A 24 -8.281 -5.681 9.627 1.00 0.00 C ATOM 312 CD1 LEU A 24 -8.104 -4.388 10.409 1.00 0.00 C ATOM 313 CD2 LEU A 24 -9.735 -6.128 9.655 1.00 0.00 C ATOM 0 H LEU A 24 -8.924 -6.324 6.112 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.424 -4.123 7.908 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.737 -6.491 7.724 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.792 -5.097 8.207 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.675 -6.454 10.100 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.450 -4.531 11.433 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.050 -4.110 10.418 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -8.685 -3.595 9.937 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -10.059 -6.248 10.689 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -10.356 -5.378 9.165 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.833 -7.079 9.132 1.00 0.00 H new ATOM 324 N MET A 25 -7.320 -3.817 5.440 1.00 0.00 N ATOM 325 CA MET A 25 -6.484 -2.870 4.711 1.00 0.00 C ATOM 326 C MET A 25 -7.203 -1.537 4.528 1.00 0.00 C ATOM 327 O MET A 25 -6.718 -0.494 4.967 1.00 0.00 O ATOM 328 CB MET A 25 -6.097 -3.444 3.347 1.00 0.00 C ATOM 329 CG MET A 25 -5.343 -2.462 2.465 1.00 0.00 C ATOM 330 SD MET A 25 -3.710 -3.064 1.993 1.00 0.00 S ATOM 331 CE MET A 25 -2.750 -2.606 3.434 1.00 0.00 C ATOM 0 H MET A 25 -7.493 -4.693 4.948 1.00 0.00 H new ATOM 0 HA MET A 25 -5.580 -2.698 5.295 1.00 0.00 H new ATOM 0 HB2 MET A 25 -5.482 -4.331 3.497 1.00 0.00 H new ATOM 0 HB3 MET A 25 -7.000 -3.766 2.828 1.00 0.00 H new ATOM 0 HG2 MET A 25 -5.927 -2.265 1.566 1.00 0.00 H new ATOM 0 HG3 MET A 25 -5.238 -1.513 2.991 1.00 0.00 H new ATOM 0 HE1 MET A 25 -1.880 -2.027 3.123 1.00 0.00 H new ATOM 0 HE2 MET A 25 -3.364 -2.005 4.105 1.00 0.00 H new ATOM 0 HE3 MET A 25 -2.420 -3.506 3.953 1.00 0.00 H new ATOM 339 N ARG A 26 -8.362 -1.579 3.879 1.00 0.00 N ATOM 340 CA ARG A 26 -9.146 -0.374 3.637 1.00 0.00 C ATOM 341 C ARG A 26 -9.503 0.314 4.952 1.00 0.00 C ATOM 342 O ARG A 26 -9.429 1.539 5.062 1.00 0.00 O ATOM 343 CB ARG A 26 -10.423 -0.718 2.866 1.00 0.00 C ATOM 344 CG ARG A 26 -10.694 0.210 1.694 1.00 0.00 C ATOM 345 CD ARG A 26 -11.403 -0.516 0.562 1.00 0.00 C ATOM 346 NE ARG A 26 -12.649 0.146 0.182 1.00 0.00 N ATOM 347 CZ ARG A 26 -13.753 0.111 0.919 1.00 0.00 C ATOM 348 NH1 ARG A 26 -13.767 -0.551 2.068 1.00 0.00 N ATOM 349 NH2 ARG A 26 -14.848 0.738 0.507 1.00 0.00 N ATOM 0 H ARG A 26 -8.779 -2.434 3.511 1.00 0.00 H new ATOM 0 HA ARG A 26 -8.542 0.310 3.040 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -10.351 -1.742 2.499 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -11.271 -0.683 3.550 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -11.303 1.050 2.027 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -9.753 0.623 1.330 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -10.743 -0.570 -0.304 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -11.615 -1.541 0.866 1.00 0.00 H new ATOM 0 HE ARG A 26 -12.672 0.663 -0.697 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -12.928 -1.035 2.388 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -14.617 -0.576 2.632 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -14.842 1.247 -0.377 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -15.695 0.710 1.074 1.00 0.00 H new ATOM 360 N HIS A 27 -9.889 -0.480 5.945 1.00 0.00 N ATOM 361 CA HIS A 27 -10.257 0.054 7.252 1.00 0.00 C ATOM 362 C HIS A 27 -9.127 0.899 7.830 1.00 0.00 C ATOM 363 O HIS A 27 -9.361 1.797 8.642 1.00 0.00 O ATOM 364 CB HIS A 27 -10.601 -1.085 8.212 1.00 0.00 C ATOM 365 CG HIS A 27 -10.829 -0.630 9.621 1.00 0.00 C ATOM 366 ND1 HIS A 27 -11.497 0.533 9.938 1.00 0.00 N ATOM 367 CD2 HIS A 27 -10.476 -1.193 10.801 1.00 0.00 C ATOM 368 CE1 HIS A 27 -11.542 0.668 11.252 1.00 0.00 C ATOM 369 NE2 HIS A 27 -10.930 -0.366 11.799 1.00 0.00 N ATOM 0 H HIS A 27 -9.955 -1.495 5.870 1.00 0.00 H new ATOM 0 HA HIS A 27 -11.134 0.689 7.125 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -11.496 -1.594 7.854 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -9.792 -1.816 8.201 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -9.938 -2.120 10.933 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -12.002 1.486 11.787 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -10.813 -0.525 12.800 1.00 0.00 H new ATOM 376 N THR A 28 -7.900 0.608 7.408 1.00 0.00 N ATOM 377 CA THR A 28 -6.734 1.341 7.887 1.00 0.00 C ATOM 378 C THR A 28 -6.612 2.693 7.194 1.00 0.00 C ATOM 379 O THR A 28 -6.288 3.698 7.827 1.00 0.00 O ATOM 380 CB THR A 28 -5.436 0.542 7.659 1.00 0.00 C ATOM 381 OG1 THR A 28 -5.633 -0.827 8.033 1.00 0.00 O ATOM 382 CG2 THR A 28 -4.289 1.133 8.461 1.00 0.00 C ATOM 0 H THR A 28 -7.688 -0.130 6.736 1.00 0.00 H new ATOM 0 HA THR A 28 -6.875 1.495 8.957 1.00 0.00 H new ATOM 0 HB THR A 28 -5.182 0.596 6.600 1.00 0.00 H new ATOM 0 HG1 THR A 28 -6.281 -1.242 7.426 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.384 0.552 8.284 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.124 2.165 8.153 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.535 1.106 9.522 1.00 0.00 H new ATOM 390 N ILE A 29 -6.876 2.712 5.892 1.00 0.00 N ATOM 391 CA ILE A 29 -6.796 3.942 5.114 1.00 0.00 C ATOM 392 C ILE A 29 -7.847 4.950 5.572 1.00 0.00 C ATOM 393 O ILE A 29 -7.548 6.126 5.771 1.00 0.00 O ATOM 394 CB ILE A 29 -6.983 3.671 3.610 1.00 0.00 C ATOM 395 CG1 ILE A 29 -6.072 2.527 3.160 1.00 0.00 C ATOM 396 CG2 ILE A 29 -6.697 4.931 2.806 1.00 0.00 C ATOM 397 CD1 ILE A 29 -4.609 2.767 3.457 1.00 0.00 C ATOM 0 H ILE A 29 -7.147 1.889 5.354 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.801 4.356 5.279 1.00 0.00 H new ATOM 0 HB ILE A 29 -8.018 3.378 3.433 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.388 1.607 3.652 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.196 2.374 2.088 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -6.833 4.724 1.745 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -7.382 5.721 3.112 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -5.670 5.251 2.984 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.023 1.916 3.111 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.277 3.669 2.943 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.471 2.890 4.531 1.00 0.00 H new ATOM 408 N GLY A 30 -9.079 4.478 5.737 1.00 0.00 N ATOM 409 CA GLY A 30 -10.155 5.349 6.171 1.00 0.00 C ATOM 410 C GLY A 30 -9.951 5.862 7.583 1.00 0.00 C ATOM 411 O GLY A 30 -10.413 6.950 7.927 1.00 0.00 O ATOM 0 H GLY A 30 -9.351 3.508 5.578 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.232 6.195 5.488 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.100 4.809 6.117 1.00 0.00 H new ATOM 415 N GLN A 31 -9.261 5.076 8.403 1.00 0.00 N ATOM 416 CA GLN A 31 -9.000 5.457 9.786 1.00 0.00 C ATOM 417 C GLN A 31 -8.000 6.605 9.855 1.00 0.00 C ATOM 418 O GLN A 31 -8.099 7.478 10.718 1.00 0.00 O ATOM 419 CB GLN A 31 -8.474 4.258 10.577 1.00 0.00 C ATOM 420 CG GLN A 31 -9.485 3.682 11.554 1.00 0.00 C ATOM 421 CD GLN A 31 -9.193 4.066 12.992 1.00 0.00 C ATOM 422 OE1 GLN A 31 -8.274 3.532 13.614 1.00 0.00 O ATOM 423 NE2 GLN A 31 -9.975 4.995 13.526 1.00 0.00 N ATOM 0 H GLN A 31 -8.873 4.172 8.134 1.00 0.00 H new ATOM 0 HA GLN A 31 -9.939 5.791 10.228 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.171 3.478 9.879 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.582 4.559 11.126 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -10.483 4.029 11.285 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.491 2.596 11.466 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -10.725 5.410 12.973 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -9.827 5.294 14.490 1.00 0.00 H new ATOM 430 N ALA A 32 -7.035 6.599 8.941 1.00 0.00 N ATOM 431 CA ALA A 32 -6.017 7.641 8.897 1.00 0.00 C ATOM 432 C ALA A 32 -6.587 8.943 8.346 1.00 0.00 C ATOM 433 O ALA A 32 -6.197 10.031 8.770 1.00 0.00 O ATOM 434 CB ALA A 32 -4.831 7.186 8.060 1.00 0.00 C ATOM 0 H ALA A 32 -6.937 5.883 8.221 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.678 7.826 9.916 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.079 7.974 8.036 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.400 6.286 8.499 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.164 6.971 7.044 1.00 0.00 H new ATOM 440 N GLU A 33 -7.513 8.825 7.399 1.00 0.00 N ATOM 441 CA GLU A 33 -8.136 9.994 6.789 1.00 0.00 C ATOM 442 C GLU A 33 -8.975 10.758 7.809 1.00 0.00 C ATOM 443 O GLU A 33 -9.021 11.987 7.794 1.00 0.00 O ATOM 444 CB GLU A 33 -9.009 9.575 5.605 1.00 0.00 C ATOM 445 CG GLU A 33 -8.677 10.307 4.314 1.00 0.00 C ATOM 446 CD GLU A 33 -8.385 9.361 3.166 1.00 0.00 C ATOM 447 OE1 GLU A 33 -9.344 8.939 2.487 1.00 0.00 O ATOM 448 OE2 GLU A 33 -7.197 9.044 2.946 1.00 0.00 O ATOM 0 H GLU A 33 -7.848 7.932 7.038 1.00 0.00 H new ATOM 0 HA GLU A 33 -7.343 10.651 6.432 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -8.898 8.503 5.444 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -10.055 9.753 5.855 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.511 10.955 4.043 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.813 10.951 4.478 1.00 0.00 H new ATOM 658 N PHE A 51 -3.258 20.183 -0.396 1.00 0.00 N ATOM 659 CA PHE A 51 -3.820 19.039 0.312 1.00 0.00 C ATOM 660 C PHE A 51 -4.596 18.136 -0.643 1.00 0.00 C ATOM 661 O PHE A 51 -4.610 16.916 -0.486 1.00 0.00 O ATOM 662 CB PHE A 51 -4.735 19.510 1.444 1.00 0.00 C ATOM 663 CG PHE A 51 -5.492 18.396 2.106 1.00 0.00 C ATOM 664 CD1 PHE A 51 -6.719 17.983 1.613 1.00 0.00 C ATOM 665 CD2 PHE A 51 -4.977 17.760 3.225 1.00 0.00 C ATOM 666 CE1 PHE A 51 -7.418 16.958 2.219 1.00 0.00 C ATOM 667 CE2 PHE A 51 -5.671 16.734 3.836 1.00 0.00 C ATOM 668 CZ PHE A 51 -6.894 16.332 3.335 1.00 0.00 C ATOM 0 HA PHE A 51 -2.996 18.466 0.737 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.136 20.027 2.194 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.445 20.236 1.048 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -7.134 18.469 0.743 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -4.022 18.070 3.623 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -8.373 16.646 1.822 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -5.257 16.246 4.706 1.00 0.00 H new ATOM 0 HZ PHE A 51 -7.439 15.532 3.813 1.00 0.00 H new ATOM 677 N GLN A 52 -5.240 18.747 -1.632 1.00 0.00 N ATOM 678 CA GLN A 52 -6.019 18.000 -2.612 1.00 0.00 C ATOM 679 C GLN A 52 -5.131 17.039 -3.396 1.00 0.00 C ATOM 680 O GLN A 52 -5.404 15.841 -3.463 1.00 0.00 O ATOM 681 CB GLN A 52 -6.726 18.958 -3.571 1.00 0.00 C ATOM 682 CG GLN A 52 -7.349 18.267 -4.773 1.00 0.00 C ATOM 683 CD GLN A 52 -8.796 18.664 -4.991 1.00 0.00 C ATOM 684 OE1 GLN A 52 -9.239 19.716 -4.527 1.00 0.00 O ATOM 685 NE2 GLN A 52 -9.541 17.824 -5.699 1.00 0.00 N ATOM 0 H GLN A 52 -5.238 19.757 -1.776 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.768 17.417 -2.075 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.504 19.494 -3.027 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -6.011 19.702 -3.921 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -6.772 18.509 -5.665 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -7.289 17.187 -4.638 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -9.133 16.964 -6.064 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -10.522 18.039 -5.878 1.00 0.00 H new ATOM 692 N ALA A 53 -4.068 17.574 -3.988 1.00 0.00 N ATOM 693 CA ALA A 53 -3.140 16.763 -4.766 1.00 0.00 C ATOM 694 C ALA A 53 -2.660 15.557 -3.966 1.00 0.00 C ATOM 695 O ALA A 53 -2.654 14.432 -4.465 1.00 0.00 O ATOM 696 CB ALA A 53 -1.954 17.605 -5.217 1.00 0.00 C ATOM 0 H ALA A 53 -3.829 18.564 -3.944 1.00 0.00 H new ATOM 0 HA ALA A 53 -3.668 16.395 -5.646 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -1.269 16.987 -5.797 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -2.308 18.431 -5.834 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.435 18.000 -4.344 1.00 0.00 H new ATOM 702 N ALA A 54 -2.258 15.800 -2.722 1.00 0.00 N ATOM 703 CA ALA A 54 -1.778 14.733 -1.853 1.00 0.00 C ATOM 704 C ALA A 54 -2.879 13.718 -1.570 1.00 0.00 C ATOM 705 O ALA A 54 -2.621 12.518 -1.471 1.00 0.00 O ATOM 706 CB ALA A 54 -1.244 15.313 -0.551 1.00 0.00 C ATOM 0 H ALA A 54 -2.255 16.726 -2.294 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.968 14.216 -2.367 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.889 14.505 0.089 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.421 15.994 -0.767 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.040 15.856 -0.041 1.00 0.00 H new ATOM 712 N HIS A 55 -4.109 14.206 -1.441 1.00 0.00 N ATOM 713 CA HIS A 55 -5.251 13.340 -1.169 1.00 0.00 C ATOM 714 C HIS A 55 -5.594 12.494 -2.390 1.00 0.00 C ATOM 715 O HIS A 55 -5.950 11.322 -2.267 1.00 0.00 O ATOM 716 CB HIS A 55 -6.463 14.174 -0.755 1.00 0.00 C ATOM 717 CG HIS A 55 -7.686 13.356 -0.473 1.00 0.00 C ATOM 718 ND1 HIS A 55 -8.487 12.648 -1.302 1.00 0.00 N flip ATOM 719 CD2 HIS A 55 -8.212 13.200 0.792 1.00 0.00 C flip ATOM 720 CE1 HIS A 55 -9.472 12.081 -0.531 1.00 0.00 C flip ATOM 721 NE2 HIS A 55 -9.282 12.430 0.729 1.00 0.00 N flip ATOM 0 H HIS A 55 -4.340 15.196 -1.520 1.00 0.00 H new ATOM 0 HA HIS A 55 -4.982 12.672 -0.350 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -6.210 14.752 0.134 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -6.689 14.889 -1.546 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -7.811 13.639 1.693 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -10.271 11.453 -0.895 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -9.864 12.152 1.519 1.00 0.00 H new ATOM 728 N ALA A 56 -5.485 13.095 -3.571 1.00 0.00 N ATOM 729 CA ALA A 56 -5.783 12.397 -4.815 1.00 0.00 C ATOM 730 C ALA A 56 -4.699 11.374 -5.144 1.00 0.00 C ATOM 731 O ALA A 56 -4.972 10.342 -5.755 1.00 0.00 O ATOM 732 CB ALA A 56 -5.936 13.391 -5.955 1.00 0.00 C ATOM 0 H ALA A 56 -5.192 14.065 -3.692 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.724 11.862 -4.686 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.158 12.855 -6.878 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.750 14.080 -5.730 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.009 13.952 -6.076 1.00 0.00 H new ATOM 738 N ARG A 57 -3.470 11.670 -4.734 1.00 0.00 N ATOM 739 CA ARG A 57 -2.346 10.778 -4.987 1.00 0.00 C ATOM 740 C ARG A 57 -2.528 9.452 -4.255 1.00 0.00 C ATOM 741 O ARG A 57 -2.206 8.388 -4.785 1.00 0.00 O ATOM 742 CB ARG A 57 -1.035 11.438 -4.551 1.00 0.00 C ATOM 743 CG ARG A 57 -0.405 12.309 -5.626 1.00 0.00 C ATOM 744 CD ARG A 57 0.947 12.847 -5.185 1.00 0.00 C ATOM 745 NE ARG A 57 1.736 13.335 -6.312 1.00 0.00 N ATOM 746 CZ ARG A 57 3.045 13.556 -6.253 1.00 0.00 C ATOM 747 NH1 ARG A 57 3.707 13.333 -5.126 1.00 0.00 N ATOM 748 NH2 ARG A 57 3.693 14.001 -7.322 1.00 0.00 N ATOM 0 H ARG A 57 -3.228 12.520 -4.225 1.00 0.00 H new ATOM 0 HA ARG A 57 -2.307 10.579 -6.058 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -1.221 12.046 -3.666 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -0.326 10.662 -4.262 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.286 11.730 -6.542 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.070 13.140 -5.859 1.00 0.00 H new ATOM 0 HD2 ARG A 57 0.799 13.655 -4.469 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.499 12.061 -4.669 1.00 0.00 H new ATOM 0 HE ARG A 57 1.256 13.516 -7.194 1.00 0.00 H new ATOM 0 HH11 ARG A 57 3.211 12.991 -4.303 1.00 0.00 H new ATOM 0 HH12 ARG A 57 4.712 13.503 -5.083 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.186 14.174 -8.190 1.00 0.00 H new ATOM 0 HH22 ARG A 57 4.698 14.170 -7.275 1.00 0.00 H new ATOM 759 N PHE A 58 -3.046 9.524 -3.033 1.00 0.00 N ATOM 760 CA PHE A 58 -3.270 8.330 -2.226 1.00 0.00 C ATOM 761 C PHE A 58 -4.327 7.433 -2.864 1.00 0.00 C ATOM 762 O PHE A 58 -4.088 6.250 -3.111 1.00 0.00 O ATOM 763 CB PHE A 58 -3.701 8.718 -0.810 1.00 0.00 C ATOM 764 CG PHE A 58 -3.525 7.614 0.193 1.00 0.00 C ATOM 765 CD1 PHE A 58 -4.259 6.444 0.091 1.00 0.00 C ATOM 766 CD2 PHE A 58 -2.627 7.748 1.239 1.00 0.00 C ATOM 767 CE1 PHE A 58 -4.100 5.427 1.014 1.00 0.00 C ATOM 768 CE2 PHE A 58 -2.463 6.734 2.165 1.00 0.00 C ATOM 769 CZ PHE A 58 -3.199 5.573 2.052 1.00 0.00 C ATOM 0 H PHE A 58 -3.318 10.396 -2.580 1.00 0.00 H new ATOM 0 HA PHE A 58 -2.332 7.777 -2.173 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.125 9.586 -0.488 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.748 9.019 -0.827 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -4.964 6.325 -0.719 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -2.048 8.655 1.333 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -4.679 4.520 0.924 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -1.759 6.851 2.976 1.00 0.00 H new ATOM 0 HZ PHE A 58 -3.072 4.779 2.773 1.00 0.00 H new ATOM 778 N VAL A 59 -5.497 8.004 -3.129 1.00 0.00 N ATOM 779 CA VAL A 59 -6.592 7.258 -3.739 1.00 0.00 C ATOM 780 C VAL A 59 -6.182 6.690 -5.093 1.00 0.00 C ATOM 781 O VAL A 59 -6.641 5.620 -5.493 1.00 0.00 O ATOM 782 CB VAL A 59 -7.840 8.142 -3.922 1.00 0.00 C ATOM 783 CG1 VAL A 59 -7.475 9.444 -4.620 1.00 0.00 C ATOM 784 CG2 VAL A 59 -8.913 7.394 -4.698 1.00 0.00 C ATOM 0 H VAL A 59 -5.712 8.981 -2.931 1.00 0.00 H new ATOM 0 HA VAL A 59 -6.833 6.438 -3.062 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.239 8.385 -2.937 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -8.369 10.055 -4.741 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.743 9.986 -4.020 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.051 9.225 -5.600 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.788 8.033 -4.818 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -8.527 7.119 -5.680 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.194 6.493 -4.153 1.00 0.00 H new ATOM 794 N ALA A 60 -5.315 7.412 -5.794 1.00 0.00 N ATOM 795 CA ALA A 60 -4.841 6.979 -7.102 1.00 0.00 C ATOM 796 C ALA A 60 -4.005 5.708 -6.990 1.00 0.00 C ATOM 797 O ALA A 60 -4.078 4.828 -7.847 1.00 0.00 O ATOM 798 CB ALA A 60 -4.035 8.085 -7.765 1.00 0.00 C ATOM 0 H ALA A 60 -4.926 8.300 -5.478 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.711 6.758 -7.720 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.688 7.747 -8.741 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.662 8.968 -7.889 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.177 8.334 -7.141 1.00 0.00 H new ATOM 804 N ALA A 61 -3.211 5.619 -5.927 1.00 0.00 N ATOM 805 CA ALA A 61 -2.363 4.455 -5.702 1.00 0.00 C ATOM 806 C ALA A 61 -3.164 3.295 -5.123 1.00 0.00 C ATOM 807 O ALA A 61 -2.929 2.135 -5.462 1.00 0.00 O ATOM 808 CB ALA A 61 -1.208 4.815 -4.780 1.00 0.00 C ATOM 0 H ALA A 61 -3.138 6.339 -5.209 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.960 4.138 -6.664 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.583 3.937 -4.620 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -0.613 5.607 -5.235 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -1.600 5.160 -3.823 1.00 0.00 H new ATOM 814 N ALA A 62 -4.112 3.615 -4.247 1.00 0.00 N ATOM 815 CA ALA A 62 -4.949 2.600 -3.621 1.00 0.00 C ATOM 816 C ALA A 62 -5.568 1.678 -4.667 1.00 0.00 C ATOM 817 O ALA A 62 -5.802 0.498 -4.407 1.00 0.00 O ATOM 818 CB ALA A 62 -6.036 3.255 -2.782 1.00 0.00 C ATOM 0 H ALA A 62 -4.319 4.570 -3.955 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.318 1.996 -2.969 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.653 2.484 -2.321 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.577 3.866 -2.005 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.657 3.885 -3.419 1.00 0.00 H new ATOM 824 N ALA A 63 -5.831 2.225 -5.849 1.00 0.00 N ATOM 825 CA ALA A 63 -6.423 1.451 -6.933 1.00 0.00 C ATOM 826 C ALA A 63 -5.575 0.227 -7.260 1.00 0.00 C ATOM 827 O ALA A 63 -6.101 -0.832 -7.605 1.00 0.00 O ATOM 828 CB ALA A 63 -6.594 2.322 -8.170 1.00 0.00 C ATOM 0 H ALA A 63 -5.644 3.201 -6.080 1.00 0.00 H new ATOM 0 HA ALA A 63 -7.404 1.105 -6.606 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.037 1.732 -8.972 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -7.246 3.163 -7.935 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.621 2.696 -8.489 1.00 0.00 H new ATOM 834 N LYS A 64 -4.260 0.376 -7.149 1.00 0.00 N ATOM 835 CA LYS A 64 -3.338 -0.717 -7.430 1.00 0.00 C ATOM 836 C LYS A 64 -3.418 -1.789 -6.349 1.00 0.00 C ATOM 837 O LYS A 64 -3.560 -2.975 -6.646 1.00 0.00 O ATOM 838 CB LYS A 64 -1.905 -0.190 -7.535 1.00 0.00 C ATOM 839 CG LYS A 64 -1.108 -0.815 -8.666 1.00 0.00 C ATOM 840 CD LYS A 64 -1.128 -2.333 -8.591 1.00 0.00 C ATOM 841 CE LYS A 64 0.030 -2.945 -9.364 1.00 0.00 C ATOM 842 NZ LYS A 64 0.110 -2.416 -10.754 1.00 0.00 N ATOM 0 H LYS A 64 -3.808 1.245 -6.866 1.00 0.00 H new ATOM 0 HA LYS A 64 -3.625 -1.164 -8.382 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -1.934 0.890 -7.676 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.389 -0.375 -6.593 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.518 -0.492 -9.623 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.078 -0.461 -8.625 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.077 -2.647 -7.549 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -2.071 -2.706 -8.991 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.964 -2.738 -8.842 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.085 -4.028 -9.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 0.351 -3.189 -11.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.808 -2.009 -11.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 0.843 -1.680 -10.804 1.00 0.00 H new ATOM 852 N VAL A 65 -3.329 -1.364 -5.092 1.00 0.00 N ATOM 853 CA VAL A 65 -3.394 -2.287 -3.967 1.00 0.00 C ATOM 854 C VAL A 65 -4.708 -3.062 -3.966 1.00 0.00 C ATOM 855 O VAL A 65 -4.724 -4.275 -3.758 1.00 0.00 O ATOM 856 CB VAL A 65 -3.248 -1.547 -2.623 1.00 0.00 C ATOM 857 CG1 VAL A 65 -3.121 -2.539 -1.478 1.00 0.00 C ATOM 858 CG2 VAL A 65 -2.053 -0.608 -2.662 1.00 0.00 C ATOM 0 H VAL A 65 -3.212 -0.386 -4.828 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.564 -2.984 -4.082 1.00 0.00 H new ATOM 0 HB VAL A 65 -4.145 -0.951 -2.456 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.019 -1.998 -0.537 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.011 -3.167 -1.440 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.242 -3.164 -1.634 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -1.964 -0.093 -1.706 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.146 -1.182 -2.852 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -2.192 0.125 -3.457 1.00 0.00 H new ATOM 868 N ASN A 66 -5.807 -2.353 -4.202 1.00 0.00 N ATOM 869 CA ASN A 66 -7.125 -2.975 -4.230 1.00 0.00 C ATOM 870 C ASN A 66 -7.199 -4.048 -5.312 1.00 0.00 C ATOM 871 O ASN A 66 -7.762 -5.123 -5.100 1.00 0.00 O ATOM 872 CB ASN A 66 -8.205 -1.918 -4.471 1.00 0.00 C ATOM 873 CG ASN A 66 -9.445 -2.496 -5.124 1.00 0.00 C ATOM 874 OD1 ASN A 66 -10.384 -2.910 -4.442 1.00 0.00 O ATOM 875 ND2 ASN A 66 -9.455 -2.528 -6.452 1.00 0.00 N ATOM 0 H ASN A 66 -5.811 -1.348 -4.376 1.00 0.00 H new ATOM 0 HA ASN A 66 -7.296 -3.448 -3.263 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -8.479 -1.459 -3.521 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -7.801 -1.127 -5.102 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -10.263 -2.906 -6.947 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -8.655 -2.174 -6.977 1.00 0.00 H new ATOM 881 N THR A 67 -6.626 -3.748 -6.475 1.00 0.00 N ATOM 882 CA THR A 67 -6.627 -4.687 -7.590 1.00 0.00 C ATOM 883 C THR A 67 -5.704 -5.869 -7.315 1.00 0.00 C ATOM 884 O THR A 67 -5.962 -6.987 -7.761 1.00 0.00 O ATOM 885 CB THR A 67 -6.190 -4.003 -8.899 1.00 0.00 C ATOM 886 OG1 THR A 67 -7.125 -2.978 -9.252 1.00 0.00 O ATOM 887 CG2 THR A 67 -6.088 -5.014 -10.030 1.00 0.00 C ATOM 0 H THR A 67 -6.156 -2.863 -6.668 1.00 0.00 H new ATOM 0 HA THR A 67 -7.650 -5.047 -7.700 1.00 0.00 H new ATOM 0 HB THR A 67 -5.207 -3.559 -8.740 1.00 0.00 H new ATOM 0 HG1 THR A 67 -6.911 -2.157 -8.762 1.00 0.00 H new ATOM 0 HG21 THR A 67 -5.778 -4.507 -10.944 1.00 0.00 H new ATOM 0 HG22 THR A 67 -5.354 -5.777 -9.771 1.00 0.00 H new ATOM 0 HG23 THR A 67 -7.059 -5.484 -10.187 1.00 0.00 H new ATOM 895 N LEU A 68 -4.628 -5.614 -6.579 1.00 0.00 N ATOM 896 CA LEU A 68 -3.666 -6.658 -6.244 1.00 0.00 C ATOM 897 C LEU A 68 -4.208 -7.566 -5.144 1.00 0.00 C ATOM 898 O LEU A 68 -3.829 -8.733 -5.045 1.00 0.00 O ATOM 899 CB LEU A 68 -2.341 -6.035 -5.800 1.00 0.00 C ATOM 900 CG LEU A 68 -1.505 -5.380 -6.901 1.00 0.00 C ATOM 901 CD1 LEU A 68 -0.240 -4.769 -6.317 1.00 0.00 C ATOM 902 CD2 LEU A 68 -1.160 -6.394 -7.983 1.00 0.00 C ATOM 0 H LEU A 68 -4.400 -4.694 -6.203 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.496 -7.261 -7.136 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.552 -5.285 -5.037 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.739 -6.810 -5.327 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.094 -4.582 -7.353 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.343 -4.307 -7.114 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.508 -4.013 -5.579 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.353 -5.548 -5.839 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.565 -5.911 -8.758 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.589 -7.213 -7.545 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.078 -6.785 -8.421 1.00 0.00 H new ATOM 913 N LEU A 69 -5.097 -7.022 -4.321 1.00 0.00 N ATOM 914 CA LEU A 69 -5.695 -7.783 -3.229 1.00 0.00 C ATOM 915 C LEU A 69 -6.731 -8.771 -3.757 1.00 0.00 C ATOM 916 O LEU A 69 -6.950 -9.829 -3.167 1.00 0.00 O ATOM 917 CB LEU A 69 -6.343 -6.838 -2.217 1.00 0.00 C ATOM 918 CG LEU A 69 -5.556 -6.588 -0.930 1.00 0.00 C ATOM 919 CD1 LEU A 69 -6.050 -5.327 -0.237 1.00 0.00 C ATOM 920 CD2 LEU A 69 -5.662 -7.787 0.000 1.00 0.00 C ATOM 0 H LEU A 69 -5.420 -6.057 -4.389 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.903 -8.346 -2.735 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.516 -5.879 -2.705 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.320 -7.240 -1.949 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.507 -6.446 -1.190 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.478 -5.166 0.677 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.921 -4.472 -0.901 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.106 -5.438 0.011 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.096 -7.592 0.911 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.708 -7.960 0.253 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.258 -8.669 -0.496 1.00 0.00 H new ATOM 931 N ASP A 70 -7.362 -8.418 -4.870 1.00 0.00 N ATOM 932 CA ASP A 70 -8.373 -9.276 -5.479 1.00 0.00 C ATOM 933 C ASP A 70 -7.722 -10.391 -6.291 1.00 0.00 C ATOM 934 O ASP A 70 -8.019 -11.569 -6.096 1.00 0.00 O ATOM 935 CB ASP A 70 -9.299 -8.450 -6.374 1.00 0.00 C ATOM 936 CG ASP A 70 -10.586 -9.181 -6.705 1.00 0.00 C ATOM 937 OD1 ASP A 70 -11.549 -9.074 -5.917 1.00 0.00 O ATOM 938 OD2 ASP A 70 -10.631 -9.858 -7.753 1.00 0.00 O ATOM 0 H ASP A 70 -7.193 -7.545 -5.369 1.00 0.00 H new ATOM 0 HA ASP A 70 -8.960 -9.729 -4.680 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -9.536 -7.509 -5.877 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -8.778 -8.200 -7.298 1.00 0.00 H new ATOM 942 N VAL A 71 -6.835 -10.011 -7.205 1.00 0.00 N ATOM 943 CA VAL A 71 -6.142 -10.978 -8.047 1.00 0.00 C ATOM 944 C VAL A 71 -5.445 -12.041 -7.203 1.00 0.00 C ATOM 945 O VAL A 71 -5.416 -13.216 -7.567 1.00 0.00 O ATOM 946 CB VAL A 71 -5.099 -10.292 -8.950 1.00 0.00 C ATOM 947 CG1 VAL A 71 -5.780 -9.336 -9.918 1.00 0.00 C ATOM 948 CG2 VAL A 71 -4.062 -9.564 -8.110 1.00 0.00 C ATOM 0 H VAL A 71 -6.579 -9.039 -7.381 1.00 0.00 H new ATOM 0 HA VAL A 71 -6.898 -11.451 -8.673 1.00 0.00 H new ATOM 0 HB VAL A 71 -4.587 -11.058 -9.532 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -5.029 -8.860 -10.548 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -6.481 -9.889 -10.543 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -6.319 -8.573 -9.357 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -3.334 -9.086 -8.765 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -4.554 -8.806 -7.500 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.553 -10.277 -7.461 1.00 0.00 H new ATOM 958 N ALA A 72 -4.884 -11.619 -6.074 1.00 0.00 N ATOM 959 CA ALA A 72 -4.190 -12.535 -5.178 1.00 0.00 C ATOM 960 C ALA A 72 -5.118 -13.646 -4.702 1.00 0.00 C ATOM 961 O ALA A 72 -4.799 -14.828 -4.826 1.00 0.00 O ATOM 962 CB ALA A 72 -3.618 -11.776 -3.988 1.00 0.00 C ATOM 0 H ALA A 72 -4.897 -10.649 -5.759 1.00 0.00 H new ATOM 0 HA ALA A 72 -3.371 -12.994 -5.731 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.102 -12.472 -3.326 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.915 -11.022 -4.341 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.427 -11.290 -3.443 1.00 0.00 H new ATOM 968 N GLN A 73 -6.266 -13.260 -4.157 1.00 0.00 N ATOM 969 CA GLN A 73 -7.240 -14.226 -3.661 1.00 0.00 C ATOM 970 C GLN A 73 -7.664 -15.188 -4.766 1.00 0.00 C ATOM 971 O GLN A 73 -7.945 -16.358 -4.511 1.00 0.00 O ATOM 972 CB GLN A 73 -8.466 -13.504 -3.100 1.00 0.00 C ATOM 973 CG GLN A 73 -8.164 -12.653 -1.877 1.00 0.00 C ATOM 974 CD GLN A 73 -9.419 -12.156 -1.187 1.00 0.00 C ATOM 975 OE1 GLN A 73 -9.567 -12.495 0.089 1.00 0.00 O flip ATOM 976 NE2 GLN A 73 -10.246 -11.474 -1.793 1.00 0.00 N flip ATOM 0 H GLN A 73 -6.545 -12.285 -4.047 1.00 0.00 H new ATOM 0 HA GLN A 73 -6.769 -14.801 -2.864 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -8.891 -12.870 -3.878 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -9.225 -14.242 -2.840 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -7.572 -13.236 -1.171 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -7.555 -11.799 -2.175 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -10.092 -11.237 -2.773 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -11.085 -11.146 -1.315 1.00 0.00 H new ATOM 983 N ALA A 74 -7.707 -14.686 -5.997 1.00 0.00 N ATOM 984 CA ALA A 74 -8.095 -15.501 -7.141 1.00 0.00 C ATOM 985 C ALA A 74 -6.974 -16.452 -7.543 1.00 0.00 C ATOM 986 O ALA A 74 -7.222 -17.523 -8.094 1.00 0.00 O ATOM 987 CB ALA A 74 -8.483 -14.612 -8.314 1.00 0.00 C ATOM 0 H ALA A 74 -7.478 -13.719 -6.226 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.958 -16.101 -6.853 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -8.771 -15.233 -9.162 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.322 -13.978 -8.028 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.635 -13.987 -8.593 1.00 0.00 H new ATOM 993 N ASN A 75 -5.737 -16.053 -7.263 1.00 0.00 N ATOM 994 CA ASN A 75 -4.575 -16.871 -7.597 1.00 0.00 C ATOM 995 C ASN A 75 -4.344 -17.944 -6.538 1.00 0.00 C ATOM 996 O ASN A 75 -4.070 -19.101 -6.861 1.00 0.00 O ATOM 997 CB ASN A 75 -3.329 -15.993 -7.731 1.00 0.00 C ATOM 998 CG ASN A 75 -3.166 -15.430 -9.130 1.00 0.00 C ATOM 999 OD1 ASN A 75 -2.737 -16.131 -10.046 1.00 0.00 O ATOM 1000 ND2 ASN A 75 -3.509 -14.159 -9.300 1.00 0.00 N ATOM 0 H ASN A 75 -5.513 -15.169 -6.806 1.00 0.00 H new ATOM 0 HA ASN A 75 -4.769 -17.362 -8.550 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -3.388 -15.172 -7.016 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -2.446 -16.578 -7.473 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -3.421 -13.726 -10.219 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -3.860 -13.616 -8.511 1.00 0.00 H new ATOM 1006 N LEU A 76 -4.457 -17.554 -5.273 1.00 0.00 N ATOM 1007 CA LEU A 76 -4.260 -18.482 -4.166 1.00 0.00 C ATOM 1008 C LEU A 76 -5.530 -19.282 -3.893 1.00 0.00 C ATOM 1009 O LEU A 76 -5.482 -20.363 -3.310 1.00 0.00 O ATOM 1010 CB LEU A 76 -3.841 -17.723 -2.906 1.00 0.00 C ATOM 1011 CG LEU A 76 -2.438 -17.116 -2.924 1.00 0.00 C ATOM 1012 CD1 LEU A 76 -1.472 -18.025 -3.668 1.00 0.00 C ATOM 1013 CD2 LEU A 76 -2.463 -15.732 -3.555 1.00 0.00 C ATOM 0 H LEU A 76 -4.684 -16.601 -4.989 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.468 -19.177 -4.444 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.560 -16.922 -2.733 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.910 -18.403 -2.057 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.093 -17.018 -1.895 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.479 -17.576 -3.670 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.431 -18.995 -3.173 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.813 -18.156 -4.695 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.456 -15.316 -3.559 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.829 -15.806 -4.579 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.122 -15.082 -2.980 1.00 0.00 H new ATOM 1024 N GLY A 77 -6.666 -18.740 -4.322 1.00 0.00 N ATOM 1025 CA GLY A 77 -7.934 -19.417 -4.117 1.00 0.00 C ATOM 1026 C GLY A 77 -8.383 -19.380 -2.669 1.00 0.00 C ATOM 1027 O GLY A 77 -9.252 -18.589 -2.303 1.00 0.00 O ATOM 0 H GLY A 77 -6.731 -17.845 -4.807 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -8.696 -18.952 -4.743 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -7.845 -20.454 -4.440 1.00 0.00 H new ATOM 1031 N GLU A 78 -7.792 -20.240 -1.845 1.00 0.00 N ATOM 1032 CA GLU A 78 -8.140 -20.302 -0.430 1.00 0.00 C ATOM 1033 C GLU A 78 -8.083 -18.916 0.206 1.00 0.00 C ATOM 1034 O GLU A 78 -8.825 -18.620 1.142 1.00 0.00 O ATOM 1035 CB GLU A 78 -7.196 -21.254 0.309 1.00 0.00 C ATOM 1036 CG GLU A 78 -7.834 -22.585 0.671 1.00 0.00 C ATOM 1037 CD GLU A 78 -7.031 -23.356 1.700 1.00 0.00 C ATOM 1038 OE1 GLU A 78 -6.479 -22.718 2.622 1.00 0.00 O ATOM 1039 OE2 GLU A 78 -6.954 -24.596 1.584 1.00 0.00 O ATOM 0 H GLU A 78 -7.071 -20.902 -2.132 1.00 0.00 H new ATOM 0 HA GLU A 78 -9.160 -20.678 -0.349 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -6.320 -21.438 -0.312 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -6.845 -20.769 1.220 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -8.838 -22.409 1.057 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -7.940 -23.190 -0.230 1.00 0.00 H new ATOM 1044 N ALA A 79 -7.195 -18.072 -0.308 1.00 0.00 N ATOM 1045 CA ALA A 79 -7.040 -16.717 0.208 1.00 0.00 C ATOM 1046 C ALA A 79 -8.383 -15.998 0.270 1.00 0.00 C ATOM 1047 O ALA A 79 -8.596 -15.133 1.119 1.00 0.00 O ATOM 1048 CB ALA A 79 -6.058 -15.934 -0.651 1.00 0.00 C ATOM 0 H ALA A 79 -6.572 -18.302 -1.082 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.645 -16.783 1.222 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.952 -14.924 -0.254 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.088 -16.432 -0.640 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -6.429 -15.884 -1.675 1.00 0.00 H new ATOM 1533 N ALA B 620 3.957 11.467 10.198 1.00 0.00 N ATOM 1534 CA ALA B 620 4.948 10.471 9.810 1.00 0.00 C ATOM 1535 C ALA B 620 4.564 9.088 10.323 1.00 0.00 C ATOM 1536 O ALA B 620 4.784 8.082 9.648 1.00 0.00 O ATOM 1537 CB ALA B 620 6.323 10.866 10.328 1.00 0.00 C ATOM 0 HA ALA B 620 4.980 10.430 8.721 1.00 0.00 H new ATOM 0 HB1 ALA B 620 7.054 10.114 10.031 1.00 0.00 H new ATOM 0 HB2 ALA B 620 6.606 11.832 9.909 1.00 0.00 H new ATOM 0 HB3 ALA B 620 6.296 10.936 11.415 1.00 0.00 H new ATOM 1543 N GLY B 621 3.991 9.042 11.522 1.00 0.00 N ATOM 1544 CA GLY B 621 3.587 7.776 12.104 1.00 0.00 C ATOM 1545 C GLY B 621 2.456 7.120 11.338 1.00 0.00 C ATOM 1546 O GLY B 621 2.473 5.910 11.107 1.00 0.00 O ATOM 0 H GLY B 621 3.799 9.860 12.101 1.00 0.00 H new ATOM 0 HA2 GLY B 621 4.443 7.102 12.130 1.00 0.00 H new ATOM 0 HA3 GLY B 621 3.277 7.937 13.137 1.00 0.00 H new ATOM 1550 N TYR B 622 1.469 7.917 10.944 1.00 0.00 N ATOM 1551 CA TYR B 622 0.323 7.406 10.203 1.00 0.00 C ATOM 1552 C TYR B 622 0.761 6.792 8.877 1.00 0.00 C ATOM 1553 O TYR B 622 0.378 5.671 8.542 1.00 0.00 O ATOM 1554 CB TYR B 622 -0.688 8.526 9.949 1.00 0.00 C ATOM 1555 CG TYR B 622 -1.508 8.889 11.167 1.00 0.00 C ATOM 1556 CD1 TYR B 622 -2.696 8.227 11.451 1.00 0.00 C ATOM 1557 CD2 TYR B 622 -1.095 9.893 12.033 1.00 0.00 C ATOM 1558 CE1 TYR B 622 -3.450 8.555 12.562 1.00 0.00 C ATOM 1559 CE2 TYR B 622 -1.840 10.227 13.147 1.00 0.00 C ATOM 1560 CZ TYR B 622 -3.016 9.555 13.407 1.00 0.00 C ATOM 1561 OH TYR B 622 -3.764 9.885 14.515 1.00 0.00 O ATOM 0 H TYR B 622 1.440 8.920 11.126 1.00 0.00 H new ATOM 0 HA TYR B 622 -0.149 6.629 10.805 1.00 0.00 H new ATOM 0 HB2 TYR B 622 -0.156 9.412 9.602 1.00 0.00 H new ATOM 0 HB3 TYR B 622 -1.360 8.222 9.146 1.00 0.00 H new ATOM 0 HD1 TYR B 622 -3.036 7.442 10.792 1.00 0.00 H new ATOM 0 HD2 TYR B 622 -0.175 10.422 11.832 1.00 0.00 H new ATOM 0 HE1 TYR B 622 -4.372 8.032 12.767 1.00 0.00 H new ATOM 0 HE2 TYR B 622 -1.504 11.010 13.811 1.00 0.00 H new ATOM 0 HH TYR B 622 -3.320 10.607 15.006 1.00 0.00 H new ATOM 1570 N ALA B 623 1.567 7.535 8.126 1.00 0.00 N ATOM 1571 CA ALA B 623 2.060 7.065 6.837 1.00 0.00 C ATOM 1572 C ALA B 623 2.702 5.687 6.965 1.00 0.00 C ATOM 1573 O ALA B 623 2.575 4.847 6.076 1.00 0.00 O ATOM 1574 CB ALA B 623 3.054 8.059 6.257 1.00 0.00 C ATOM 0 H ALA B 623 1.893 8.465 8.388 1.00 0.00 H new ATOM 0 HA ALA B 623 1.210 6.981 6.160 1.00 0.00 H new ATOM 0 HB1 ALA B 623 3.413 7.695 5.295 1.00 0.00 H new ATOM 0 HB2 ALA B 623 2.566 9.024 6.120 1.00 0.00 H new ATOM 0 HB3 ALA B 623 3.896 8.172 6.940 1.00 0.00 H new ATOM 1580 N GLY B 624 3.391 5.462 8.079 1.00 0.00 N ATOM 1581 CA GLY B 624 4.044 4.184 8.303 1.00 0.00 C ATOM 1582 C GLY B 624 3.057 3.080 8.629 1.00 0.00 C ATOM 1583 O GLY B 624 3.341 1.900 8.416 1.00 0.00 O ATOM 0 H GLY B 624 3.509 6.141 8.831 1.00 0.00 H new ATOM 0 HA2 GLY B 624 4.612 3.909 7.415 1.00 0.00 H new ATOM 0 HA3 GLY B 624 4.758 4.282 9.121 1.00 0.00 H new ATOM 1587 N THR B 625 1.896 3.461 9.151 1.00 0.00 N ATOM 1588 CA THR B 625 0.866 2.494 9.511 1.00 0.00 C ATOM 1589 C THR B 625 0.496 1.617 8.321 1.00 0.00 C ATOM 1590 O THR B 625 0.353 0.401 8.454 1.00 0.00 O ATOM 1591 CB THR B 625 -0.403 3.194 10.034 1.00 0.00 C ATOM 1592 OG1 THR B 625 -0.082 4.006 11.168 1.00 0.00 O ATOM 1593 CG2 THR B 625 -1.464 2.173 10.417 1.00 0.00 C ATOM 0 H THR B 625 1.645 4.433 9.334 1.00 0.00 H new ATOM 0 HA THR B 625 1.280 1.870 10.303 1.00 0.00 H new ATOM 0 HB THR B 625 -0.799 3.824 9.238 1.00 0.00 H new ATOM 0 HG1 THR B 625 -0.893 4.449 11.493 1.00 0.00 H new ATOM 0 HG21 THR B 625 -2.351 2.690 10.783 1.00 0.00 H new ATOM 0 HG22 THR B 625 -1.727 1.576 9.544 1.00 0.00 H new ATOM 0 HG23 THR B 625 -1.075 1.520 11.199 1.00 0.00 H new ATOM 1601 N LEU B 626 0.342 2.239 7.158 1.00 0.00 N ATOM 1602 CA LEU B 626 -0.011 1.514 5.943 1.00 0.00 C ATOM 1603 C LEU B 626 1.140 0.623 5.487 1.00 0.00 C ATOM 1604 O LEU B 626 0.925 -0.501 5.031 1.00 0.00 O ATOM 1605 CB LEU B 626 -0.384 2.495 4.830 1.00 0.00 C ATOM 1606 CG LEU B 626 -1.546 3.441 5.131 1.00 0.00 C ATOM 1607 CD1 LEU B 626 -2.592 2.747 5.990 1.00 0.00 C ATOM 1608 CD2 LEU B 626 -1.042 4.703 5.817 1.00 0.00 C ATOM 0 H LEU B 626 0.456 3.245 7.031 1.00 0.00 H new ATOM 0 HA LEU B 626 -0.871 0.881 6.164 1.00 0.00 H new ATOM 0 HB2 LEU B 626 0.494 3.095 4.592 1.00 0.00 H new ATOM 0 HB3 LEU B 626 -0.630 1.922 3.936 1.00 0.00 H new ATOM 0 HG LEU B 626 -2.012 3.725 4.187 1.00 0.00 H new ATOM 0 HD11 LEU B 626 -3.411 3.436 6.194 1.00 0.00 H new ATOM 0 HD12 LEU B 626 -2.975 1.874 5.462 1.00 0.00 H new ATOM 0 HD13 LEU B 626 -2.140 2.433 6.931 1.00 0.00 H new ATOM 0 HD21 LEU B 626 -1.883 5.365 6.024 1.00 0.00 H new ATOM 0 HD22 LEU B 626 -0.551 4.437 6.753 1.00 0.00 H new ATOM 0 HD23 LEU B 626 -0.331 5.212 5.166 1.00 0.00 H new ATOM 1619 N GLN B 627 2.362 1.131 5.614 1.00 0.00 N ATOM 1620 CA GLN B 627 3.546 0.381 5.215 1.00 0.00 C ATOM 1621 C GLN B 627 3.561 -0.999 5.865 1.00 0.00 C ATOM 1622 O GLN B 627 3.826 -2.004 5.206 1.00 0.00 O ATOM 1623 CB GLN B 627 4.814 1.149 5.594 1.00 0.00 C ATOM 1624 CG GLN B 627 5.977 0.909 4.645 1.00 0.00 C ATOM 1625 CD GLN B 627 7.238 1.635 5.070 1.00 0.00 C ATOM 1626 OE1 GLN B 627 7.514 1.774 6.263 1.00 0.00 O ATOM 1627 NE2 GLN B 627 8.010 2.102 4.097 1.00 0.00 N ATOM 0 H GLN B 627 2.557 2.059 5.990 1.00 0.00 H new ATOM 0 HA GLN B 627 3.516 0.253 4.133 1.00 0.00 H new ATOM 0 HB2 GLN B 627 4.589 2.215 5.618 1.00 0.00 H new ATOM 0 HB3 GLN B 627 5.114 0.864 6.602 1.00 0.00 H new ATOM 0 HG2 GLN B 627 6.180 -0.160 4.589 1.00 0.00 H new ATOM 0 HG3 GLN B 627 5.696 1.233 3.643 1.00 0.00 H new ATOM 0 HE21 GLN B 627 7.742 1.964 3.123 1.00 0.00 H new ATOM 0 HE22 GLN B 627 8.871 2.599 4.324 1.00 0.00 H new ATOM 1634 N SER B 628 3.274 -1.040 7.163 1.00 0.00 N ATOM 1635 CA SER B 628 3.258 -2.296 7.903 1.00 0.00 C ATOM 1636 C SER B 628 1.995 -3.093 7.593 1.00 0.00 C ATOM 1637 O SER B 628 2.038 -4.316 7.453 1.00 0.00 O ATOM 1638 CB SER B 628 3.348 -2.027 9.407 1.00 0.00 C ATOM 1639 OG SER B 628 3.481 -3.235 10.134 1.00 0.00 O ATOM 0 H SER B 628 3.050 -0.218 7.723 1.00 0.00 H new ATOM 0 HA SER B 628 4.123 -2.883 7.593 1.00 0.00 H new ATOM 0 HB2 SER B 628 4.200 -1.379 9.613 1.00 0.00 H new ATOM 0 HB3 SER B 628 2.456 -1.496 9.739 1.00 0.00 H new ATOM 0 HG SER B 628 3.538 -3.036 11.092 1.00 0.00 H new ATOM 1644 N LEU B 629 0.872 -2.392 7.487 1.00 0.00 N ATOM 1645 CA LEU B 629 -0.405 -3.034 7.193 1.00 0.00 C ATOM 1646 C LEU B 629 -0.332 -3.819 5.888 1.00 0.00 C ATOM 1647 O LEU B 629 -0.665 -5.003 5.844 1.00 0.00 O ATOM 1648 CB LEU B 629 -1.518 -1.986 7.109 1.00 0.00 C ATOM 1649 CG LEU B 629 -2.902 -2.439 7.571 1.00 0.00 C ATOM 1650 CD1 LEU B 629 -3.295 -3.740 6.888 1.00 0.00 C ATOM 1651 CD2 LEU B 629 -2.933 -2.600 9.084 1.00 0.00 C ATOM 0 H LEU B 629 0.819 -1.380 7.600 1.00 0.00 H new ATOM 0 HA LEU B 629 -0.629 -3.729 8.002 1.00 0.00 H new ATOM 0 HB2 LEU B 629 -1.222 -1.123 7.705 1.00 0.00 H new ATOM 0 HB3 LEU B 629 -1.594 -1.648 6.075 1.00 0.00 H new ATOM 0 HG LEU B 629 -3.625 -1.673 7.291 1.00 0.00 H new ATOM 0 HD11 LEU B 629 -4.284 -4.046 7.230 1.00 0.00 H new ATOM 0 HD12 LEU B 629 -3.314 -3.593 5.808 1.00 0.00 H new ATOM 0 HD13 LEU B 629 -2.569 -4.515 7.136 1.00 0.00 H new ATOM 0 HD21 LEU B 629 -3.926 -2.923 9.395 1.00 0.00 H new ATOM 0 HD22 LEU B 629 -2.198 -3.346 9.386 1.00 0.00 H new ATOM 0 HD23 LEU B 629 -2.697 -1.646 9.556 1.00 0.00 H new ATOM 1662 N GLY B 630 0.109 -3.154 4.825 1.00 0.00 N ATOM 1663 CA GLY B 630 0.221 -3.806 3.533 1.00 0.00 C ATOM 1664 C GLY B 630 1.267 -4.902 3.527 1.00 0.00 C ATOM 1665 O GLY B 630 1.102 -5.923 2.859 1.00 0.00 O ATOM 0 H GLY B 630 0.391 -2.174 4.835 1.00 0.00 H new ATOM 0 HA2 GLY B 630 -0.745 -4.228 3.257 1.00 0.00 H new ATOM 0 HA3 GLY B 630 0.472 -3.064 2.775 1.00 0.00 H new ATOM 1669 N ALA B 631 2.348 -4.691 4.270 1.00 0.00 N ATOM 1670 CA ALA B 631 3.425 -5.670 4.347 1.00 0.00 C ATOM 1671 C ALA B 631 2.902 -7.028 4.801 1.00 0.00 C ATOM 1672 O ALA B 631 3.416 -8.069 4.395 1.00 0.00 O ATOM 1673 CB ALA B 631 4.516 -5.181 5.288 1.00 0.00 C ATOM 0 H ALA B 631 2.501 -3.851 4.827 1.00 0.00 H new ATOM 0 HA ALA B 631 3.847 -5.788 3.349 1.00 0.00 H new ATOM 0 HB1 ALA B 631 5.314 -5.922 5.336 1.00 0.00 H new ATOM 0 HB2 ALA B 631 4.919 -4.238 4.919 1.00 0.00 H new ATOM 0 HB3 ALA B 631 4.098 -5.033 6.284 1.00 0.00 H new ATOM 1679 N GLU B 632 1.876 -7.010 5.646 1.00 0.00 N ATOM 1680 CA GLU B 632 1.284 -8.241 6.156 1.00 0.00 C ATOM 1681 C GLU B 632 0.692 -9.071 5.021 1.00 0.00 C ATOM 1682 O GLU B 632 0.741 -10.301 5.046 1.00 0.00 O ATOM 1683 CB GLU B 632 0.201 -7.923 7.189 1.00 0.00 C ATOM 1684 CG GLU B 632 0.733 -7.781 8.605 1.00 0.00 C ATOM 1685 CD GLU B 632 0.622 -9.068 9.401 1.00 0.00 C ATOM 1686 OE1 GLU B 632 1.427 -9.990 9.153 1.00 0.00 O ATOM 1687 OE2 GLU B 632 -0.270 -9.153 10.272 1.00 0.00 O ATOM 0 H GLU B 632 1.438 -6.156 5.992 1.00 0.00 H new ATOM 0 HA GLU B 632 2.073 -8.822 6.635 1.00 0.00 H new ATOM 0 HB2 GLU B 632 -0.301 -6.998 6.904 1.00 0.00 H new ATOM 0 HB3 GLU B 632 -0.551 -8.712 7.170 1.00 0.00 H new ATOM 0 HG2 GLU B 632 1.777 -7.470 8.568 1.00 0.00 H new ATOM 0 HG3 GLU B 632 0.184 -6.992 9.118 1.00 0.00 H new ATOM 1692 N ILE B 633 0.133 -8.389 4.027 1.00 0.00 N ATOM 1693 CA ILE B 633 -0.469 -9.062 2.882 1.00 0.00 C ATOM 1694 C ILE B 633 0.600 -9.639 1.960 1.00 0.00 C ATOM 1695 O ILE B 633 0.466 -10.754 1.458 1.00 0.00 O ATOM 1696 CB ILE B 633 -1.367 -8.107 2.074 1.00 0.00 C ATOM 1697 CG1 ILE B 633 -2.482 -7.550 2.961 1.00 0.00 C ATOM 1698 CG2 ILE B 633 -1.951 -8.824 0.867 1.00 0.00 C ATOM 1699 CD1 ILE B 633 -3.250 -6.414 2.323 1.00 0.00 C ATOM 0 H ILE B 633 0.084 -7.371 3.991 1.00 0.00 H new ATOM 0 HA ILE B 633 -1.081 -9.873 3.278 1.00 0.00 H new ATOM 0 HB ILE B 633 -0.761 -7.274 1.718 1.00 0.00 H new ATOM 0 HG12 ILE B 633 -3.176 -8.354 3.207 1.00 0.00 H new ATOM 0 HG13 ILE B 633 -2.050 -7.204 3.900 1.00 0.00 H new ATOM 0 HG21 ILE B 633 -2.583 -8.136 0.306 1.00 0.00 H new ATOM 0 HG22 ILE B 633 -1.142 -9.177 0.227 1.00 0.00 H new ATOM 0 HG23 ILE B 633 -2.547 -9.673 1.201 1.00 0.00 H new ATOM 0 HD11 ILE B 633 -4.024 -6.069 3.008 1.00 0.00 H new ATOM 0 HD12 ILE B 633 -2.568 -5.593 2.102 1.00 0.00 H new ATOM 0 HD13 ILE B 633 -3.712 -6.761 1.399 1.00 0.00 H new ATOM 1710 N ALA B 634 1.663 -8.870 1.743 1.00 0.00 N ATOM 1711 CA ALA B 634 2.758 -9.306 0.884 1.00 0.00 C ATOM 1712 C ALA B 634 3.402 -10.580 1.420 1.00 0.00 C ATOM 1713 O ALA B 634 3.688 -11.509 0.664 1.00 0.00 O ATOM 1714 CB ALA B 634 3.796 -8.202 0.751 1.00 0.00 C ATOM 0 H ALA B 634 1.789 -7.943 2.150 1.00 0.00 H new ATOM 0 HA ALA B 634 2.349 -9.525 -0.102 1.00 0.00 H new ATOM 0 HB1 ALA B 634 4.608 -8.541 0.107 1.00 0.00 H new ATOM 0 HB2 ALA B 634 3.332 -7.317 0.315 1.00 0.00 H new ATOM 0 HB3 ALA B 634 4.193 -7.955 1.736 1.00 0.00 H new ATOM 1720 N VAL B 635 3.632 -10.615 2.729 1.00 0.00 N ATOM 1721 CA VAL B 635 4.244 -11.776 3.367 1.00 0.00 C ATOM 1722 C VAL B 635 3.289 -12.963 3.380 1.00 0.00 C ATOM 1723 O VAL B 635 3.714 -14.116 3.323 1.00 0.00 O ATOM 1724 CB VAL B 635 4.674 -11.460 4.811 1.00 0.00 C ATOM 1725 CG1 VAL B 635 3.470 -11.065 5.652 1.00 0.00 C ATOM 1726 CG2 VAL B 635 5.395 -12.651 5.424 1.00 0.00 C ATOM 0 H VAL B 635 3.404 -9.854 3.368 1.00 0.00 H new ATOM 0 HA VAL B 635 5.127 -12.031 2.781 1.00 0.00 H new ATOM 0 HB VAL B 635 5.365 -10.617 4.790 1.00 0.00 H new ATOM 0 HG11 VAL B 635 3.793 -10.845 6.670 1.00 0.00 H new ATOM 0 HG12 VAL B 635 3.000 -10.181 5.222 1.00 0.00 H new ATOM 0 HG13 VAL B 635 2.753 -11.886 5.668 1.00 0.00 H new ATOM 0 HG21 VAL B 635 5.692 -12.410 6.445 1.00 0.00 H new ATOM 0 HG22 VAL B 635 4.729 -13.514 5.434 1.00 0.00 H new ATOM 0 HG23 VAL B 635 6.281 -12.883 4.833 1.00 0.00 H new ATOM 1736 N GLU B 636 1.993 -12.673 3.454 1.00 0.00 N ATOM 1737 CA GLU B 636 0.976 -13.718 3.476 1.00 0.00 C ATOM 1738 C GLU B 636 0.999 -14.525 2.181 1.00 0.00 C ATOM 1739 O GLU B 636 1.084 -15.752 2.204 1.00 0.00 O ATOM 1740 CB GLU B 636 -0.411 -13.107 3.684 1.00 0.00 C ATOM 1741 CG GLU B 636 -1.274 -13.879 4.668 1.00 0.00 C ATOM 1742 CD GLU B 636 -2.116 -14.944 3.994 1.00 0.00 C ATOM 1743 OE1 GLU B 636 -1.559 -16.006 3.645 1.00 0.00 O ATOM 1744 OE2 GLU B 636 -3.331 -14.717 3.816 1.00 0.00 O ATOM 0 H GLU B 636 1.623 -11.723 3.500 1.00 0.00 H new ATOM 0 HA GLU B 636 1.198 -14.388 4.307 1.00 0.00 H new ATOM 0 HB2 GLU B 636 -0.298 -12.082 4.038 1.00 0.00 H new ATOM 0 HB3 GLU B 636 -0.925 -13.057 2.724 1.00 0.00 H new ATOM 0 HG2 GLU B 636 -0.635 -14.346 5.417 1.00 0.00 H new ATOM 0 HG3 GLU B 636 -1.928 -13.184 5.195 1.00 0.00 H new ATOM 1749 N GLN B 637 0.922 -13.826 1.053 1.00 0.00 N ATOM 1750 CA GLN B 637 0.933 -14.476 -0.251 1.00 0.00 C ATOM 1751 C GLN B 637 2.323 -15.008 -0.584 1.00 0.00 C ATOM 1752 O GLN B 637 2.465 -16.000 -1.298 1.00 0.00 O ATOM 1753 CB GLN B 637 0.475 -13.500 -1.336 1.00 0.00 C ATOM 1754 CG GLN B 637 1.525 -12.464 -1.705 1.00 0.00 C ATOM 1755 CD GLN B 637 2.333 -12.862 -2.924 1.00 0.00 C ATOM 1756 OE1 GLN B 637 3.647 -12.961 -2.757 1.00 0.00 O flip ATOM 1757 NE2 GLN B 637 1.784 -13.078 -4.005 1.00 0.00 N flip ATOM 0 H GLN B 637 0.851 -12.809 1.017 1.00 0.00 H new ATOM 0 HA GLN B 637 0.241 -15.318 -0.214 1.00 0.00 H new ATOM 0 HB2 GLN B 637 0.203 -14.063 -2.229 1.00 0.00 H new ATOM 0 HB3 GLN B 637 -0.425 -12.988 -0.996 1.00 0.00 H new ATOM 0 HG2 GLN B 637 1.036 -11.508 -1.894 1.00 0.00 H new ATOM 0 HG3 GLN B 637 2.198 -12.317 -0.860 1.00 0.00 H new ATOM 0 HE21 GLN B 637 0.771 -12.990 -4.089 1.00 0.00 H new ATOM 0 HE22 GLN B 637 2.342 -13.345 -4.816 1.00 0.00 H new ATOM 1764 N ALA B 638 3.347 -14.341 -0.060 1.00 0.00 N ATOM 1765 CA ALA B 638 4.726 -14.749 -0.299 1.00 0.00 C ATOM 1766 C ALA B 638 4.967 -16.177 0.176 1.00 0.00 C ATOM 1767 O ALA B 638 5.846 -16.870 -0.335 1.00 0.00 O ATOM 1768 CB ALA B 638 5.686 -13.791 0.390 1.00 0.00 C ATOM 0 H ALA B 638 3.247 -13.517 0.532 1.00 0.00 H new ATOM 0 HA ALA B 638 4.907 -14.717 -1.373 1.00 0.00 H new ATOM 0 HB1 ALA B 638 6.712 -14.107 0.203 1.00 0.00 H new ATOM 0 HB2 ALA B 638 5.540 -12.785 -0.002 1.00 0.00 H new ATOM 0 HB3 ALA B 638 5.495 -13.794 1.463 1.00 0.00 H new ATOM 1774 N ALA B 639 4.181 -16.610 1.156 1.00 0.00 N ATOM 1775 CA ALA B 639 4.310 -17.957 1.699 1.00 0.00 C ATOM 1776 C ALA B 639 3.496 -18.957 0.884 1.00 0.00 C ATOM 1777 O ALA B 639 3.792 -20.153 0.877 1.00 0.00 O ATOM 1778 CB ALA B 639 3.874 -17.982 3.156 1.00 0.00 C ATOM 0 H ALA B 639 3.449 -16.048 1.590 1.00 0.00 H new ATOM 0 HA ALA B 639 5.359 -18.248 1.640 1.00 0.00 H new ATOM 0 HB1 ALA B 639 3.975 -18.994 3.549 1.00 0.00 H new ATOM 0 HB2 ALA B 639 4.500 -17.303 3.735 1.00 0.00 H new ATOM 0 HB3 ALA B 639 2.833 -17.667 3.230 1.00 0.00 H new ATOM 1784 N LEU B 640 2.472 -18.461 0.201 1.00 0.00 N ATOM 1785 CA LEU B 640 1.614 -19.312 -0.618 1.00 0.00 C ATOM 1786 C LEU B 640 2.048 -19.276 -2.080 1.00 0.00 C ATOM 1787 O LEU B 640 1.248 -19.532 -2.980 1.00 0.00 O ATOM 1788 CB LEU B 640 0.155 -18.869 -0.495 1.00 0.00 C ATOM 1789 CG LEU B 640 -0.306 -18.458 0.904 1.00 0.00 C ATOM 1790 CD1 LEU B 640 -1.652 -17.754 0.837 1.00 0.00 C ATOM 1791 CD2 LEU B 640 -0.381 -19.671 1.818 1.00 0.00 C ATOM 0 H LEU B 640 2.214 -17.474 0.197 1.00 0.00 H new ATOM 0 HA LEU B 640 1.707 -20.336 -0.256 1.00 0.00 H new ATOM 0 HB2 LEU B 640 -0.007 -18.029 -1.170 1.00 0.00 H new ATOM 0 HB3 LEU B 640 -0.482 -19.683 -0.841 1.00 0.00 H new ATOM 0 HG LEU B 640 0.424 -17.762 1.317 1.00 0.00 H new ATOM 0 HD11 LEU B 640 -1.964 -17.469 1.842 1.00 0.00 H new ATOM 0 HD12 LEU B 640 -1.565 -16.862 0.217 1.00 0.00 H new ATOM 0 HD13 LEU B 640 -2.393 -18.426 0.404 1.00 0.00 H new ATOM 0 HD21 LEU B 640 -0.711 -19.360 2.809 1.00 0.00 H new ATOM 0 HD22 LEU B 640 -1.090 -20.391 1.409 1.00 0.00 H new ATOM 0 HD23 LEU B 640 0.604 -20.133 1.891 1.00 0.00 H new ATOM 1802 N GLN B 641 3.318 -18.958 -2.308 1.00 0.00 N ATOM 1803 CA GLN B 641 3.857 -18.890 -3.661 1.00 0.00 C ATOM 1804 C GLN B 641 3.545 -20.166 -4.435 1.00 0.00 C ATOM 1805 O GLN B 641 3.053 -20.115 -5.562 1.00 0.00 O ATOM 1806 CB GLN B 641 5.368 -18.662 -3.619 1.00 0.00 C ATOM 1807 CG GLN B 641 5.758 -17.228 -3.300 1.00 0.00 C ATOM 1808 CD GLN B 641 5.628 -16.308 -4.498 1.00 0.00 C ATOM 1809 OE1 GLN B 641 6.504 -16.266 -5.362 1.00 0.00 O ATOM 1810 NE2 GLN B 641 4.531 -15.563 -4.555 1.00 0.00 N ATOM 0 H GLN B 641 3.993 -18.743 -1.574 1.00 0.00 H new ATOM 0 HA GLN B 641 3.384 -18.051 -4.172 1.00 0.00 H new ATOM 0 HB2 GLN B 641 5.806 -19.324 -2.872 1.00 0.00 H new ATOM 0 HB3 GLN B 641 5.796 -18.941 -4.582 1.00 0.00 H new ATOM 0 HG2 GLN B 641 5.129 -16.856 -2.491 1.00 0.00 H new ATOM 0 HG3 GLN B 641 6.787 -17.207 -2.940 1.00 0.00 H new ATOM 0 HE21 GLN B 641 3.830 -15.630 -3.817 1.00 0.00 H new ATOM 0 HE22 GLN B 641 4.389 -14.924 -5.337 1.00 0.00 H new ATOM 1817 N SER B 642 3.834 -21.311 -3.824 1.00 0.00 N ATOM 1818 CA SER B 642 3.588 -22.600 -4.458 1.00 0.00 C ATOM 1819 C SER B 642 2.103 -22.784 -4.758 1.00 0.00 C ATOM 1820 O SER B 642 1.728 -23.539 -5.655 1.00 0.00 O ATOM 1821 CB SER B 642 4.083 -23.736 -3.561 1.00 0.00 C ATOM 1822 OG SER B 642 5.495 -23.848 -3.611 1.00 0.00 O ATOM 0 H SER B 642 4.239 -21.371 -2.890 1.00 0.00 H new ATOM 0 HA SER B 642 4.137 -22.624 -5.400 1.00 0.00 H new ATOM 0 HB2 SER B 642 3.766 -23.557 -2.534 1.00 0.00 H new ATOM 0 HB3 SER B 642 3.629 -24.676 -3.876 1.00 0.00 H new ATOM 0 HG SER B 642 5.786 -24.580 -3.028 1.00 0.00 H new ATOM 1827 N ALA B 643 1.263 -22.087 -4.000 1.00 0.00 N ATOM 1828 CA ALA B 643 -0.181 -22.171 -4.184 1.00 0.00 C ATOM 1829 C ALA B 643 -0.640 -21.281 -5.335 1.00 0.00 C ATOM 1830 O ALA B 643 -1.699 -21.504 -5.919 1.00 0.00 O ATOM 1831 CB ALA B 643 -0.900 -21.789 -2.899 1.00 0.00 C ATOM 0 H ALA B 643 1.557 -21.458 -3.253 1.00 0.00 H new ATOM 0 HA ALA B 643 -0.432 -23.202 -4.434 1.00 0.00 H new ATOM 0 HB1 ALA B 643 -1.977 -21.856 -3.051 1.00 0.00 H new ATOM 0 HB2 ALA B 643 -0.603 -22.469 -2.100 1.00 0.00 H new ATOM 0 HB3 ALA B 643 -0.635 -20.768 -2.624 1.00 0.00 H new ATOM 1837 N TRP B 644 0.165 -20.274 -5.653 1.00 0.00 N ATOM 1838 CA TRP B 644 -0.160 -19.350 -6.734 1.00 0.00 C ATOM 1839 C TRP B 644 -0.498 -20.105 -8.014 1.00 0.00 C ATOM 1840 O TRP B 644 0.040 -21.183 -8.269 1.00 0.00 O ATOM 1841 CB TRP B 644 1.008 -18.395 -6.985 1.00 0.00 C ATOM 1842 CG TRP B 644 0.623 -17.178 -7.770 1.00 0.00 C ATOM 1843 CD1 TRP B 644 0.745 -17.000 -9.119 1.00 0.00 C ATOM 1844 CD2 TRP B 644 0.055 -15.969 -7.254 1.00 0.00 C ATOM 1845 NE1 TRP B 644 0.287 -15.754 -9.472 1.00 0.00 N ATOM 1846 CE2 TRP B 644 -0.142 -15.102 -8.346 1.00 0.00 C ATOM 1847 CE3 TRP B 644 -0.307 -15.535 -5.975 1.00 0.00 C ATOM 1848 CZ2 TRP B 644 -0.684 -13.828 -8.196 1.00 0.00 C ATOM 1849 CZ3 TRP B 644 -0.845 -14.271 -5.829 1.00 0.00 C ATOM 1850 CH2 TRP B 644 -1.030 -13.430 -6.933 1.00 0.00 C ATOM 0 H TRP B 644 1.046 -20.076 -5.179 1.00 0.00 H new ATOM 0 HA TRP B 644 -1.035 -18.773 -6.433 1.00 0.00 H new ATOM 0 HB2 TRP B 644 1.425 -18.084 -6.027 1.00 0.00 H new ATOM 0 HB3 TRP B 644 1.795 -18.928 -7.518 1.00 0.00 H new ATOM 0 HD1 TRP B 644 1.143 -17.731 -9.807 1.00 0.00 H new ATOM 0 HE1 TRP B 644 0.269 -15.376 -10.419 1.00 0.00 H new ATOM 0 HE3 TRP B 644 -0.169 -16.176 -5.117 1.00 0.00 H new ATOM 0 HZ2 TRP B 644 -0.826 -13.177 -9.046 1.00 0.00 H new ATOM 0 HZ3 TRP B 644 -1.128 -13.925 -4.846 1.00 0.00 H new ATOM 0 HH2 TRP B 644 -1.454 -12.448 -6.785 1.00 0.00 H new ATOM 1860 N GLN B 645 -1.392 -19.535 -8.815 1.00 0.00 N ATOM 1861 CA GLN B 645 -1.802 -20.157 -10.070 1.00 0.00 C ATOM 1862 C GLN B 645 -1.198 -19.425 -11.262 1.00 0.00 C ATOM 1863 O GLN B 645 -0.746 -20.047 -12.222 1.00 0.00 O ATOM 1864 CB GLN B 645 -3.326 -20.172 -10.181 1.00 0.00 C ATOM 1865 CG GLN B 645 -3.997 -21.157 -9.238 1.00 0.00 C ATOM 1866 CD GLN B 645 -3.604 -22.594 -9.520 1.00 0.00 C ATOM 1867 OE1 GLN B 645 -4.258 -23.287 -10.300 1.00 0.00 O ATOM 1868 NE2 GLN B 645 -2.530 -23.050 -8.885 1.00 0.00 N ATOM 0 H GLN B 645 -1.847 -18.643 -8.618 1.00 0.00 H new ATOM 0 HA GLN B 645 -1.436 -21.184 -10.076 1.00 0.00 H new ATOM 0 HB2 GLN B 645 -3.706 -19.171 -9.977 1.00 0.00 H new ATOM 0 HB3 GLN B 645 -3.605 -20.416 -11.206 1.00 0.00 H new ATOM 0 HG2 GLN B 645 -3.734 -20.907 -8.210 1.00 0.00 H new ATOM 0 HG3 GLN B 645 -5.079 -21.057 -9.323 1.00 0.00 H new ATOM 0 HE21 GLN B 645 -2.018 -22.441 -8.247 1.00 0.00 H new ATOM 0 HE22 GLN B 645 -2.218 -24.009 -9.035 1.00 0.00 H new ATOM 1875 N GLY B 646 -1.195 -18.097 -11.196 1.00 0.00 N ATOM 1876 CA GLY B 646 -0.647 -17.300 -12.278 1.00 0.00 C ATOM 1877 C GLY B 646 -1.419 -17.467 -13.571 1.00 0.00 C ATOM 1878 O GLY B 646 -0.944 -17.084 -14.640 1.00 0.00 O ATOM 0 H GLY B 646 -1.563 -17.559 -10.412 1.00 0.00 H new ATOM 0 HA2 GLY B 646 -0.652 -16.249 -11.989 1.00 0.00 H new ATOM 0 HA3 GLY B 646 0.393 -17.581 -12.441 1.00 0.00 H new ATOM 1882 N ASP B 647 -2.613 -18.043 -13.475 1.00 0.00 N ATOM 1883 CA ASP B 647 -3.454 -18.259 -14.645 1.00 0.00 C ATOM 1884 C ASP B 647 -4.691 -17.368 -14.600 1.00 0.00 C ATOM 1885 O ASP B 647 -5.714 -17.673 -15.214 1.00 0.00 O ATOM 1886 CB ASP B 647 -3.872 -19.729 -14.735 1.00 0.00 C ATOM 1887 CG ASP B 647 -2.686 -20.671 -14.678 1.00 0.00 C ATOM 1888 OD1 ASP B 647 -1.569 -20.243 -15.036 1.00 0.00 O ATOM 1889 OD2 ASP B 647 -2.876 -21.838 -14.275 1.00 0.00 O ATOM 0 H ASP B 647 -3.019 -18.369 -12.598 1.00 0.00 H new ATOM 0 HA ASP B 647 -2.874 -17.998 -15.530 1.00 0.00 H new ATOM 0 HB2 ASP B 647 -4.556 -19.960 -13.918 1.00 0.00 H new ATOM 0 HB3 ASP B 647 -4.418 -19.892 -15.664 1.00 0.00 H new ATOM 1893 N THR B 648 -4.592 -16.264 -13.867 1.00 0.00 N ATOM 1894 CA THR B 648 -5.702 -15.328 -13.738 1.00 0.00 C ATOM 1895 C THR B 648 -5.351 -13.973 -14.341 1.00 0.00 C ATOM 1896 O THR B 648 -6.228 -13.239 -14.795 1.00 0.00 O ATOM 1897 CB THR B 648 -6.105 -15.135 -12.264 1.00 0.00 C ATOM 1898 OG1 THR B 648 -5.106 -14.372 -11.579 1.00 0.00 O ATOM 1899 CG2 THR B 648 -6.289 -16.476 -11.572 1.00 0.00 C ATOM 0 H THR B 648 -3.753 -15.996 -13.353 1.00 0.00 H new ATOM 0 HA THR B 648 -6.543 -15.757 -14.283 1.00 0.00 H new ATOM 0 HB THR B 648 -7.053 -14.598 -12.238 1.00 0.00 H new ATOM 0 HG1 THR B 648 -5.525 -13.856 -10.859 1.00 0.00 H new ATOM 0 HG21 THR B 648 -6.573 -16.313 -10.532 1.00 0.00 H new ATOM 0 HG22 THR B 648 -7.071 -17.042 -12.078 1.00 0.00 H new ATOM 0 HG23 THR B 648 -5.354 -17.036 -11.609 1.00 0.00 H new ATOM 1907 N GLY B 649 -4.063 -13.645 -14.340 1.00 0.00 N ATOM 1908 CA GLY B 649 -3.619 -12.377 -14.890 1.00 0.00 C ATOM 1909 C GLY B 649 -2.259 -11.962 -14.366 1.00 0.00 C ATOM 1910 O GLY B 649 -1.379 -11.583 -15.139 1.00 0.00 O ATOM 0 H GLY B 649 -3.318 -14.235 -13.968 1.00 0.00 H new ATOM 0 HA2 GLY B 649 -3.579 -12.450 -15.977 1.00 0.00 H new ATOM 0 HA3 GLY B 649 -4.349 -11.604 -14.649 1.00 0.00 H new ATOM 1914 N ILE B 650 -2.087 -12.034 -13.050 1.00 0.00 N ATOM 1915 CA ILE B 650 -0.823 -11.662 -12.425 1.00 0.00 C ATOM 1916 C ILE B 650 -0.045 -12.896 -11.982 1.00 0.00 C ATOM 1917 O ILE B 650 -0.625 -13.872 -11.504 1.00 0.00 O ATOM 1918 CB ILE B 650 -1.046 -10.744 -11.207 1.00 0.00 C ATOM 1919 CG1 ILE B 650 -1.783 -9.472 -11.629 1.00 0.00 C ATOM 1920 CG2 ILE B 650 0.283 -10.402 -10.552 1.00 0.00 C ATOM 1921 CD1 ILE B 650 -1.974 -8.482 -10.500 1.00 0.00 C ATOM 0 H ILE B 650 -2.806 -12.346 -12.397 1.00 0.00 H new ATOM 0 HA ILE B 650 -0.246 -11.122 -13.176 1.00 0.00 H new ATOM 0 HB ILE B 650 -1.661 -11.272 -10.479 1.00 0.00 H new ATOM 0 HG12 ILE B 650 -1.228 -8.990 -12.434 1.00 0.00 H new ATOM 0 HG13 ILE B 650 -2.759 -9.744 -12.032 1.00 0.00 H new ATOM 0 HG21 ILE B 650 0.109 -9.753 -9.694 1.00 0.00 H new ATOM 0 HG22 ILE B 650 0.772 -11.318 -10.221 1.00 0.00 H new ATOM 0 HG23 ILE B 650 0.922 -9.889 -11.271 1.00 0.00 H new ATOM 0 HD11 ILE B 650 -2.503 -7.604 -10.871 1.00 0.00 H new ATOM 0 HD12 ILE B 650 -2.555 -8.946 -9.703 1.00 0.00 H new ATOM 0 HD13 ILE B 650 -1.001 -8.181 -10.111 1.00 0.00 H new ATOM 1932 N THR B 651 1.274 -12.846 -12.141 1.00 0.00 N ATOM 1933 CA THR B 651 2.134 -13.958 -11.757 1.00 0.00 C ATOM 1934 C THR B 651 2.712 -13.751 -10.362 1.00 0.00 C ATOM 1935 O THR B 651 2.637 -12.654 -9.806 1.00 0.00 O ATOM 1936 CB THR B 651 3.288 -14.147 -12.758 1.00 0.00 C ATOM 1937 OG1 THR B 651 2.943 -13.569 -14.021 1.00 0.00 O ATOM 1938 CG2 THR B 651 3.611 -15.622 -12.940 1.00 0.00 C ATOM 0 H THR B 651 1.770 -12.046 -12.534 1.00 0.00 H new ATOM 0 HA THR B 651 1.512 -14.853 -11.759 1.00 0.00 H new ATOM 0 HB THR B 651 4.170 -13.645 -12.359 1.00 0.00 H new ATOM 0 HG1 THR B 651 3.684 -13.693 -14.651 1.00 0.00 H new ATOM 0 HG21 THR B 651 4.429 -15.730 -13.652 1.00 0.00 H new ATOM 0 HG22 THR B 651 3.904 -16.051 -11.982 1.00 0.00 H new ATOM 0 HG23 THR B 651 2.731 -16.143 -13.317 1.00 0.00 H new ATOM 1946 N TYR B 652 3.290 -14.808 -9.803 1.00 0.00 N ATOM 1947 CA TYR B 652 3.881 -14.741 -8.472 1.00 0.00 C ATOM 1948 C TYR B 652 4.995 -13.700 -8.422 1.00 0.00 C ATOM 1949 O TYR B 652 5.117 -12.952 -7.452 1.00 0.00 O ATOM 1950 CB TYR B 652 4.427 -16.110 -8.065 1.00 0.00 C ATOM 1951 CG TYR B 652 5.518 -16.622 -8.977 1.00 0.00 C ATOM 1952 CD1 TYR B 652 5.210 -17.330 -10.132 1.00 0.00 C ATOM 1953 CD2 TYR B 652 6.858 -16.397 -8.684 1.00 0.00 C ATOM 1954 CE1 TYR B 652 6.204 -17.800 -10.969 1.00 0.00 C ATOM 1955 CE2 TYR B 652 7.858 -16.864 -9.516 1.00 0.00 C ATOM 1956 CZ TYR B 652 7.526 -17.564 -10.656 1.00 0.00 C ATOM 1957 OH TYR B 652 8.519 -18.030 -11.487 1.00 0.00 O ATOM 0 H TYR B 652 3.362 -15.722 -10.251 1.00 0.00 H new ATOM 0 HA TYR B 652 3.101 -14.445 -7.770 1.00 0.00 H new ATOM 0 HB2 TYR B 652 4.814 -16.050 -7.048 1.00 0.00 H new ATOM 0 HB3 TYR B 652 3.608 -16.829 -8.052 1.00 0.00 H new ATOM 0 HD1 TYR B 652 4.176 -17.516 -10.380 1.00 0.00 H new ATOM 0 HD2 TYR B 652 7.122 -15.848 -7.792 1.00 0.00 H new ATOM 0 HE1 TYR B 652 5.947 -18.349 -11.863 1.00 0.00 H new ATOM 0 HE2 TYR B 652 8.895 -16.681 -9.274 1.00 0.00 H new ATOM 0 HH TYR B 652 9.394 -17.779 -11.124 1.00 0.00 H new ATOM 1966 N GLN B 653 5.806 -13.660 -9.474 1.00 0.00 N ATOM 1967 CA GLN B 653 6.910 -12.712 -9.552 1.00 0.00 C ATOM 1968 C GLN B 653 6.400 -11.303 -9.839 1.00 0.00 C ATOM 1969 O GLN B 653 6.862 -10.331 -9.242 1.00 0.00 O ATOM 1970 CB GLN B 653 7.902 -13.138 -10.634 1.00 0.00 C ATOM 1971 CG GLN B 653 7.273 -13.288 -12.010 1.00 0.00 C ATOM 1972 CD GLN B 653 7.868 -14.436 -12.802 1.00 0.00 C ATOM 1973 OE1 GLN B 653 7.164 -15.368 -13.191 1.00 0.00 O ATOM 1974 NE2 GLN B 653 9.172 -14.374 -13.046 1.00 0.00 N ATOM 0 H GLN B 653 5.719 -14.273 -10.284 1.00 0.00 H new ATOM 0 HA GLN B 653 7.417 -12.705 -8.587 1.00 0.00 H new ATOM 0 HB2 GLN B 653 8.705 -12.403 -10.689 1.00 0.00 H new ATOM 0 HB3 GLN B 653 8.356 -14.086 -10.346 1.00 0.00 H new ATOM 0 HG2 GLN B 653 6.200 -13.445 -11.900 1.00 0.00 H new ATOM 0 HG3 GLN B 653 7.403 -12.361 -12.568 1.00 0.00 H new ATOM 0 HE21 GLN B 653 9.718 -13.583 -12.705 1.00 0.00 H new ATOM 0 HE22 GLN B 653 9.628 -15.118 -13.575 1.00 0.00 H new ATOM 1981 N ALA B 654 5.444 -11.201 -10.757 1.00 0.00 N ATOM 1982 CA ALA B 654 4.870 -9.912 -11.123 1.00 0.00 C ATOM 1983 C ALA B 654 4.165 -9.268 -9.933 1.00 0.00 C ATOM 1984 O ALA B 654 4.392 -8.099 -9.624 1.00 0.00 O ATOM 1985 CB ALA B 654 3.904 -10.076 -12.286 1.00 0.00 C ATOM 0 H ALA B 654 5.051 -11.996 -11.261 1.00 0.00 H new ATOM 0 HA ALA B 654 5.683 -9.254 -11.431 1.00 0.00 H new ATOM 0 HB1 ALA B 654 3.483 -9.106 -12.549 1.00 0.00 H new ATOM 0 HB2 ALA B 654 4.435 -10.486 -13.145 1.00 0.00 H new ATOM 0 HB3 ALA B 654 3.101 -10.754 -11.999 1.00 0.00 H new ATOM 1991 N TRP B 655 3.309 -10.039 -9.271 1.00 0.00 N ATOM 1992 CA TRP B 655 2.570 -9.542 -8.117 1.00 0.00 C ATOM 1993 C TRP B 655 3.518 -8.969 -7.068 1.00 0.00 C ATOM 1994 O TRP B 655 3.374 -7.820 -6.651 1.00 0.00 O ATOM 1995 CB TRP B 655 1.730 -10.663 -7.503 1.00 0.00 C ATOM 1996 CG TRP B 655 0.682 -10.168 -6.551 1.00 0.00 C ATOM 1997 CD1 TRP B 655 -0.645 -9.987 -6.816 1.00 0.00 C ATOM 1998 CD2 TRP B 655 0.876 -9.789 -5.185 1.00 0.00 C ATOM 1999 NE1 TRP B 655 -1.288 -9.518 -5.696 1.00 0.00 N ATOM 2000 CE2 TRP B 655 -0.377 -9.388 -4.681 1.00 0.00 C ATOM 2001 CE3 TRP B 655 1.986 -9.751 -4.336 1.00 0.00 C ATOM 2002 CZ2 TRP B 655 -0.548 -8.955 -3.370 1.00 0.00 C ATOM 2003 CZ3 TRP B 655 1.814 -9.319 -3.034 1.00 0.00 C ATOM 2004 CH2 TRP B 655 0.555 -8.928 -2.561 1.00 0.00 C ATOM 0 H TRP B 655 3.110 -11.010 -9.514 1.00 0.00 H new ATOM 0 HA TRP B 655 1.909 -8.745 -8.457 1.00 0.00 H new ATOM 0 HB2 TRP B 655 1.248 -11.225 -8.303 1.00 0.00 H new ATOM 0 HB3 TRP B 655 2.389 -11.355 -6.979 1.00 0.00 H new ATOM 0 HD1 TRP B 655 -1.119 -10.184 -7.766 1.00 0.00 H new ATOM 0 HE1 TRP B 655 -2.283 -9.302 -5.631 1.00 0.00 H new ATOM 0 HE3 TRP B 655 2.960 -10.054 -4.691 1.00 0.00 H new ATOM 0 HZ2 TRP B 655 -1.517 -8.651 -3.004 1.00 0.00 H new ATOM 0 HZ3 TRP B 655 2.665 -9.282 -2.370 1.00 0.00 H new ATOM 0 HH2 TRP B 655 0.453 -8.599 -1.538 1.00 0.00 H new ATOM 2014 N GLN B 656 4.487 -9.776 -6.649 1.00 0.00 N ATOM 2015 CA GLN B 656 5.458 -9.347 -5.649 1.00 0.00 C ATOM 2016 C GLN B 656 6.118 -8.034 -6.060 1.00 0.00 C ATOM 2017 O GLN B 656 6.533 -7.245 -5.211 1.00 0.00 O ATOM 2018 CB GLN B 656 6.525 -10.426 -5.447 1.00 0.00 C ATOM 2019 CG GLN B 656 6.027 -11.634 -4.671 1.00 0.00 C ATOM 2020 CD GLN B 656 6.696 -11.775 -3.318 1.00 0.00 C ATOM 2021 OE1 GLN B 656 6.359 -11.064 -2.370 1.00 0.00 O ATOM 2022 NE2 GLN B 656 7.649 -12.694 -3.221 1.00 0.00 N ATOM 0 H GLN B 656 4.621 -10.729 -6.986 1.00 0.00 H new ATOM 0 HA GLN B 656 4.929 -9.189 -4.709 1.00 0.00 H new ATOM 0 HB2 GLN B 656 6.887 -10.754 -6.421 1.00 0.00 H new ATOM 0 HB3 GLN B 656 7.375 -9.991 -4.921 1.00 0.00 H new ATOM 0 HG2 GLN B 656 4.949 -11.553 -4.532 1.00 0.00 H new ATOM 0 HG3 GLN B 656 6.206 -12.536 -5.256 1.00 0.00 H new ATOM 0 HE21 GLN B 656 7.896 -13.261 -4.033 1.00 0.00 H new ATOM 0 HE22 GLN B 656 8.135 -12.834 -2.335 1.00 0.00 H new ATOM 2029 N ALA B 657 6.211 -7.807 -7.366 1.00 0.00 N ATOM 2030 CA ALA B 657 6.819 -6.590 -7.889 1.00 0.00 C ATOM 2031 C ALA B 657 5.802 -5.456 -7.961 1.00 0.00 C ATOM 2032 O ALA B 657 6.161 -4.283 -7.873 1.00 0.00 O ATOM 2033 CB ALA B 657 7.424 -6.849 -9.260 1.00 0.00 C ATOM 0 H ALA B 657 5.873 -8.450 -8.082 1.00 0.00 H new ATOM 0 HA ALA B 657 7.613 -6.287 -7.206 1.00 0.00 H new ATOM 0 HB1 ALA B 657 7.874 -5.931 -9.638 1.00 0.00 H new ATOM 0 HB2 ALA B 657 8.188 -7.622 -9.180 1.00 0.00 H new ATOM 0 HB3 ALA B 657 6.644 -7.179 -9.946 1.00 0.00 H new ATOM 2039 N GLN B 658 4.533 -5.816 -8.124 1.00 0.00 N ATOM 2040 CA GLN B 658 3.464 -4.828 -8.210 1.00 0.00 C ATOM 2041 C GLN B 658 3.132 -4.263 -6.832 1.00 0.00 C ATOM 2042 O GLN B 658 3.111 -3.049 -6.638 1.00 0.00 O ATOM 2043 CB GLN B 658 2.215 -5.450 -8.834 1.00 0.00 C ATOM 2044 CG GLN B 658 2.151 -5.301 -10.347 1.00 0.00 C ATOM 2045 CD GLN B 658 0.997 -6.069 -10.960 1.00 0.00 C ATOM 2046 OE1 GLN B 658 -0.084 -5.520 -11.177 1.00 0.00 O ATOM 2047 NE2 GLN B 658 1.222 -7.347 -11.246 1.00 0.00 N ATOM 0 H GLN B 658 4.220 -6.784 -8.199 1.00 0.00 H new ATOM 0 HA GLN B 658 3.809 -4.011 -8.844 1.00 0.00 H new ATOM 0 HB2 GLN B 658 2.181 -6.509 -8.580 1.00 0.00 H new ATOM 0 HB3 GLN B 658 1.331 -4.988 -8.394 1.00 0.00 H new ATOM 0 HG2 GLN B 658 2.055 -4.245 -10.601 1.00 0.00 H new ATOM 0 HG3 GLN B 658 3.087 -5.650 -10.783 1.00 0.00 H new ATOM 0 HE21 GLN B 658 2.133 -7.761 -11.049 1.00 0.00 H new ATOM 0 HE22 GLN B 658 0.483 -7.914 -11.662 1.00 0.00 H new ATOM 2054 N TRP B 659 2.871 -5.153 -5.882 1.00 0.00 N ATOM 2055 CA TRP B 659 2.539 -4.744 -4.522 1.00 0.00 C ATOM 2056 C TRP B 659 3.581 -3.775 -3.976 1.00 0.00 C ATOM 2057 O TRP B 659 3.239 -2.741 -3.403 1.00 0.00 O ATOM 2058 CB TRP B 659 2.435 -5.968 -3.610 1.00 0.00 C ATOM 2059 CG TRP B 659 1.893 -5.649 -2.249 1.00 0.00 C ATOM 2060 CD1 TRP B 659 2.617 -5.358 -1.128 1.00 0.00 C ATOM 2061 CD2 TRP B 659 0.515 -5.592 -1.867 1.00 0.00 C ATOM 2062 NE1 TRP B 659 1.770 -5.124 -0.070 1.00 0.00 N ATOM 2063 CE2 TRP B 659 0.476 -5.260 -0.498 1.00 0.00 C ATOM 2064 CE3 TRP B 659 -0.690 -5.787 -2.547 1.00 0.00 C ATOM 2065 CZ2 TRP B 659 -0.721 -5.121 0.201 1.00 0.00 C ATOM 2066 CZ3 TRP B 659 -1.877 -5.649 -1.852 1.00 0.00 C ATOM 2067 CH2 TRP B 659 -1.885 -5.318 -0.491 1.00 0.00 C ATOM 0 H TRP B 659 2.883 -6.162 -6.028 1.00 0.00 H new ATOM 0 HA TRP B 659 1.575 -4.236 -4.547 1.00 0.00 H new ATOM 0 HB2 TRP B 659 1.794 -6.712 -4.083 1.00 0.00 H new ATOM 0 HB3 TRP B 659 3.422 -6.418 -3.504 1.00 0.00 H new ATOM 0 HD1 TRP B 659 3.695 -5.318 -1.080 1.00 0.00 H new ATOM 0 HE1 TRP B 659 2.059 -4.888 0.879 1.00 0.00 H new ATOM 0 HE3 TRP B 659 -0.694 -6.041 -3.597 1.00 0.00 H new ATOM 0 HZ2 TRP B 659 -0.730 -4.867 1.251 1.00 0.00 H new ATOM 0 HZ3 TRP B 659 -2.814 -5.799 -2.367 1.00 0.00 H new ATOM 0 HH2 TRP B 659 -2.829 -5.216 0.023 1.00 0.00 H new ATOM 2077 N ASN B 660 4.853 -4.115 -4.157 1.00 0.00 N ATOM 2078 CA ASN B 660 5.944 -3.274 -3.681 1.00 0.00 C ATOM 2079 C ASN B 660 5.774 -1.837 -4.164 1.00 0.00 C ATOM 2080 O ASN B 660 5.795 -0.898 -3.369 1.00 0.00 O ATOM 2081 CB ASN B 660 7.288 -3.829 -4.158 1.00 0.00 C ATOM 2082 CG ASN B 660 8.117 -4.395 -3.021 1.00 0.00 C ATOM 2083 OD1 ASN B 660 8.839 -3.666 -2.342 1.00 0.00 O ATOM 2084 ND2 ASN B 660 8.016 -5.701 -2.809 1.00 0.00 N ATOM 0 H ASN B 660 5.153 -4.967 -4.630 1.00 0.00 H new ATOM 0 HA ASN B 660 5.923 -3.277 -2.591 1.00 0.00 H new ATOM 0 HB2 ASN B 660 7.113 -4.609 -4.900 1.00 0.00 H new ATOM 0 HB3 ASN B 660 7.849 -3.037 -4.654 1.00 0.00 H new ATOM 0 HD21 ASN B 660 8.550 -6.139 -2.058 1.00 0.00 H new ATOM 0 HD22 ASN B 660 7.405 -6.267 -3.397 1.00 0.00 H new ATOM 2090 N GLN B 661 5.606 -1.674 -5.473 1.00 0.00 N ATOM 2091 CA GLN B 661 5.432 -0.352 -6.061 1.00 0.00 C ATOM 2092 C GLN B 661 4.226 0.359 -5.456 1.00 0.00 C ATOM 2093 O GLN B 661 4.311 1.522 -5.063 1.00 0.00 O ATOM 2094 CB GLN B 661 5.265 -0.463 -7.578 1.00 0.00 C ATOM 2095 CG GLN B 661 6.500 -0.993 -8.288 1.00 0.00 C ATOM 2096 CD GLN B 661 7.643 0.002 -8.292 1.00 0.00 C ATOM 2097 OE1 GLN B 661 7.426 1.215 -8.300 1.00 0.00 O ATOM 2098 NE2 GLN B 661 8.871 -0.505 -8.287 1.00 0.00 N ATOM 0 H GLN B 661 5.587 -2.441 -6.145 1.00 0.00 H new ATOM 0 HA GLN B 661 6.324 0.235 -5.842 1.00 0.00 H new ATOM 0 HB2 GLN B 661 4.422 -1.118 -7.795 1.00 0.00 H new ATOM 0 HB3 GLN B 661 5.018 0.519 -7.981 1.00 0.00 H new ATOM 0 HG2 GLN B 661 6.826 -1.913 -7.803 1.00 0.00 H new ATOM 0 HG3 GLN B 661 6.242 -1.248 -9.316 1.00 0.00 H new ATOM 0 HE21 GLN B 661 9.005 -1.516 -8.280 1.00 0.00 H new ATOM 0 HE22 GLN B 661 9.680 0.117 -8.290 1.00 0.00 H new ATOM 2105 N ALA B 662 3.103 -0.347 -5.385 1.00 0.00 N ATOM 2106 CA ALA B 662 1.879 0.215 -4.826 1.00 0.00 C ATOM 2107 C ALA B 662 2.103 0.709 -3.401 1.00 0.00 C ATOM 2108 O ALA B 662 1.821 1.863 -3.082 1.00 0.00 O ATOM 2109 CB ALA B 662 0.760 -0.814 -4.862 1.00 0.00 C ATOM 0 H ALA B 662 3.015 -1.311 -5.708 1.00 0.00 H new ATOM 0 HA ALA B 662 1.589 1.070 -5.437 1.00 0.00 H new ATOM 0 HB1 ALA B 662 -0.147 -0.380 -4.441 1.00 0.00 H new ATOM 0 HB2 ALA B 662 0.574 -1.114 -5.893 1.00 0.00 H new ATOM 0 HB3 ALA B 662 1.049 -1.687 -4.277 1.00 0.00 H new ATOM 2115 N MET B 663 2.611 -0.174 -2.548 1.00 0.00 N ATOM 2116 CA MET B 663 2.873 0.172 -1.156 1.00 0.00 C ATOM 2117 C MET B 663 3.726 1.433 -1.060 1.00 0.00 C ATOM 2118 O MET B 663 3.325 2.418 -0.443 1.00 0.00 O ATOM 2119 CB MET B 663 3.573 -0.986 -0.442 1.00 0.00 C ATOM 2120 CG MET B 663 3.872 -0.707 1.022 1.00 0.00 C ATOM 2121 SD MET B 663 2.701 -1.508 2.135 1.00 0.00 S ATOM 2122 CE MET B 663 1.146 -0.909 1.479 1.00 0.00 C ATOM 0 H MET B 663 2.849 -1.134 -2.796 1.00 0.00 H new ATOM 0 HA MET B 663 1.916 0.363 -0.670 1.00 0.00 H new ATOM 0 HB2 MET B 663 2.948 -1.876 -0.513 1.00 0.00 H new ATOM 0 HB3 MET B 663 4.506 -1.209 -0.959 1.00 0.00 H new ATOM 0 HG2 MET B 663 4.880 -1.049 1.254 1.00 0.00 H new ATOM 0 HG3 MET B 663 3.853 0.369 1.194 1.00 0.00 H new ATOM 0 HE1 MET B 663 0.332 -1.216 2.136 1.00 0.00 H new ATOM 0 HE2 MET B 663 1.172 0.179 1.417 1.00 0.00 H new ATOM 0 HE3 MET B 663 0.986 -1.325 0.484 1.00 0.00 H new ATOM 2130 N GLU B 664 4.904 1.393 -1.675 1.00 0.00 N ATOM 2131 CA GLU B 664 5.813 2.533 -1.657 1.00 0.00 C ATOM 2132 C GLU B 664 5.101 3.804 -2.110 1.00 0.00 C ATOM 2133 O GLU B 664 5.406 4.900 -1.641 1.00 0.00 O ATOM 2134 CB GLU B 664 7.021 2.264 -2.556 1.00 0.00 C ATOM 2135 CG GLU B 664 7.933 3.468 -2.728 1.00 0.00 C ATOM 2136 CD GLU B 664 9.375 3.076 -2.985 1.00 0.00 C ATOM 2137 OE1 GLU B 664 9.928 2.294 -2.184 1.00 0.00 O ATOM 2138 OE2 GLU B 664 9.950 3.551 -3.986 1.00 0.00 O ATOM 0 H GLU B 664 5.251 0.584 -2.191 1.00 0.00 H new ATOM 0 HA GLU B 664 6.156 2.675 -0.632 1.00 0.00 H new ATOM 0 HB2 GLU B 664 7.598 1.439 -2.138 1.00 0.00 H new ATOM 0 HB3 GLU B 664 6.669 1.942 -3.536 1.00 0.00 H new ATOM 0 HG2 GLU B 664 7.573 4.076 -3.557 1.00 0.00 H new ATOM 0 HG3 GLU B 664 7.883 4.088 -1.833 1.00 0.00 H new ATOM 2143 N ASP B 665 4.151 3.649 -3.026 1.00 0.00 N ATOM 2144 CA ASP B 665 3.394 4.782 -3.543 1.00 0.00 C ATOM 2145 C ASP B 665 2.487 5.367 -2.466 1.00 0.00 C ATOM 2146 O ASP B 665 2.439 6.582 -2.272 1.00 0.00 O ATOM 2147 CB ASP B 665 2.561 4.356 -4.754 1.00 0.00 C ATOM 2148 CG ASP B 665 2.404 5.472 -5.769 1.00 0.00 C ATOM 2149 OD1 ASP B 665 2.072 6.604 -5.361 1.00 0.00 O ATOM 2150 OD2 ASP B 665 2.613 5.212 -6.973 1.00 0.00 O ATOM 0 H ASP B 665 3.887 2.748 -3.426 1.00 0.00 H new ATOM 0 HA ASP B 665 4.103 5.551 -3.851 1.00 0.00 H new ATOM 0 HB2 ASP B 665 3.033 3.497 -5.232 1.00 0.00 H new ATOM 0 HB3 ASP B 665 1.576 4.033 -4.418 1.00 0.00 H new ATOM 2154 N LEU B 666 1.768 4.495 -1.767 1.00 0.00 N ATOM 2155 CA LEU B 666 0.861 4.925 -0.709 1.00 0.00 C ATOM 2156 C LEU B 666 1.622 5.630 0.409 1.00 0.00 C ATOM 2157 O LEU B 666 1.160 6.633 0.953 1.00 0.00 O ATOM 2158 CB LEU B 666 0.099 3.724 -0.144 1.00 0.00 C ATOM 2159 CG LEU B 666 -0.548 2.797 -1.173 1.00 0.00 C ATOM 2160 CD1 LEU B 666 -0.481 1.351 -0.705 1.00 0.00 C ATOM 2161 CD2 LEU B 666 -1.990 3.208 -1.430 1.00 0.00 C ATOM 0 H LEU B 666 1.796 3.486 -1.914 1.00 0.00 H new ATOM 0 HA LEU B 666 0.150 5.630 -1.139 1.00 0.00 H new ATOM 0 HB2 LEU B 666 0.786 3.136 0.464 1.00 0.00 H new ATOM 0 HB3 LEU B 666 -0.680 4.094 0.523 1.00 0.00 H new ATOM 0 HG LEU B 666 0.006 2.882 -2.108 1.00 0.00 H new ATOM 0 HD11 LEU B 666 -0.946 0.706 -1.450 1.00 0.00 H new ATOM 0 HD12 LEU B 666 0.561 1.059 -0.572 1.00 0.00 H new ATOM 0 HD13 LEU B 666 -1.010 1.251 0.243 1.00 0.00 H new ATOM 0 HD21 LEU B 666 -2.434 2.537 -2.165 1.00 0.00 H new ATOM 0 HD22 LEU B 666 -2.555 3.153 -0.500 1.00 0.00 H new ATOM 0 HD23 LEU B 666 -2.015 4.229 -1.810 1.00 0.00 H new ATOM 2172 N VAL B 667 2.794 5.100 0.745 1.00 0.00 N ATOM 2173 CA VAL B 667 3.623 5.679 1.794 1.00 0.00 C ATOM 2174 C VAL B 667 3.874 7.161 1.541 1.00 0.00 C ATOM 2175 O VAL B 667 3.633 8.000 2.410 1.00 0.00 O ATOM 2176 CB VAL B 667 4.975 4.951 1.908 1.00 0.00 C ATOM 2177 CG1 VAL B 667 5.878 5.655 2.911 1.00 0.00 C ATOM 2178 CG2 VAL B 667 4.766 3.496 2.297 1.00 0.00 C ATOM 0 H VAL B 667 3.190 4.270 0.305 1.00 0.00 H new ATOM 0 HA VAL B 667 3.077 5.561 2.730 1.00 0.00 H new ATOM 0 HB VAL B 667 5.464 4.976 0.934 1.00 0.00 H new ATOM 0 HG11 VAL B 667 6.829 5.126 2.978 1.00 0.00 H new ATOM 0 HG12 VAL B 667 6.055 6.680 2.585 1.00 0.00 H new ATOM 0 HG13 VAL B 667 5.398 5.664 3.889 1.00 0.00 H new ATOM 0 HG21 VAL B 667 5.732 2.997 2.373 1.00 0.00 H new ATOM 0 HG22 VAL B 667 4.255 3.446 3.259 1.00 0.00 H new ATOM 0 HG23 VAL B 667 4.160 3.000 1.539 1.00 0.00 H new ATOM 2188 N ARG B 668 4.361 7.477 0.345 1.00 0.00 N ATOM 2189 CA ARG B 668 4.646 8.858 -0.023 1.00 0.00 C ATOM 2190 C ARG B 668 3.354 9.646 -0.221 1.00 0.00 C ATOM 2191 O ARG B 668 3.309 10.853 0.016 1.00 0.00 O ATOM 2192 CB ARG B 668 5.486 8.904 -1.301 1.00 0.00 C ATOM 2193 CG ARG B 668 4.896 8.098 -2.446 1.00 0.00 C ATOM 2194 CD ARG B 668 5.714 8.257 -3.719 1.00 0.00 C ATOM 2195 NE ARG B 668 4.923 8.817 -4.812 1.00 0.00 N ATOM 2196 CZ ARG B 668 5.304 8.788 -6.084 1.00 0.00 C ATOM 2197 NH1 ARG B 668 6.459 8.230 -6.422 1.00 0.00 N ATOM 2198 NH2 ARG B 668 4.530 9.318 -7.021 1.00 0.00 N ATOM 0 H ARG B 668 4.566 6.795 -0.385 1.00 0.00 H new ATOM 0 HA ARG B 668 5.209 9.316 0.790 1.00 0.00 H new ATOM 0 HB2 ARG B 668 5.596 9.942 -1.617 1.00 0.00 H new ATOM 0 HB3 ARG B 668 6.486 8.530 -1.082 1.00 0.00 H new ATOM 0 HG2 ARG B 668 4.855 7.045 -2.168 1.00 0.00 H new ATOM 0 HG3 ARG B 668 3.871 8.420 -2.628 1.00 0.00 H new ATOM 0 HD2 ARG B 668 6.569 8.904 -3.522 1.00 0.00 H new ATOM 0 HD3 ARG B 668 6.111 7.287 -4.019 1.00 0.00 H new ATOM 0 HE ARG B 668 4.030 9.254 -4.586 1.00 0.00 H new ATOM 0 HH11 ARG B 668 7.057 7.822 -5.704 1.00 0.00 H new ATOM 0 HH12 ARG B 668 6.749 8.209 -7.400 1.00 0.00 H new ATOM 0 HH21 ARG B 668 3.641 9.748 -6.765 1.00 0.00 H new ATOM 0 HH22 ARG B 668 4.823 9.295 -7.998 1.00 0.00 H new ATOM 2209 N ALA B 669 2.308 8.954 -0.659 1.00 0.00 N ATOM 2210 CA ALA B 669 1.015 9.589 -0.888 1.00 0.00 C ATOM 2211 C ALA B 669 0.518 10.291 0.371 1.00 0.00 C ATOM 2212 O ALA B 669 -0.001 11.407 0.307 1.00 0.00 O ATOM 2213 CB ALA B 669 -0.003 8.559 -1.357 1.00 0.00 C ATOM 0 H ALA B 669 2.330 7.955 -0.862 1.00 0.00 H new ATOM 0 HA ALA B 669 1.140 10.341 -1.667 1.00 0.00 H new ATOM 0 HB1 ALA B 669 -0.963 9.047 -1.524 1.00 0.00 H new ATOM 0 HB2 ALA B 669 0.340 8.105 -2.287 1.00 0.00 H new ATOM 0 HB3 ALA B 669 -0.116 7.786 -0.596 1.00 0.00 H new ATOM 2219 N TYR B 670 0.678 9.633 1.512 1.00 0.00 N ATOM 2220 CA TYR B 670 0.243 10.193 2.786 1.00 0.00 C ATOM 2221 C TYR B 670 1.197 11.288 3.254 1.00 0.00 C ATOM 2222 O TYR B 670 0.774 12.397 3.583 1.00 0.00 O ATOM 2223 CB TYR B 670 0.149 9.095 3.846 1.00 0.00 C ATOM 2224 CG TYR B 670 -0.473 9.557 5.144 1.00 0.00 C ATOM 2225 CD1 TYR B 670 0.294 10.171 6.126 1.00 0.00 C ATOM 2226 CD2 TYR B 670 -1.829 9.380 5.389 1.00 0.00 C ATOM 2227 CE1 TYR B 670 -0.269 10.594 7.313 1.00 0.00 C ATOM 2228 CE2 TYR B 670 -2.403 9.801 6.574 1.00 0.00 C ATOM 2229 CZ TYR B 670 -1.619 10.406 7.532 1.00 0.00 C ATOM 2230 OH TYR B 670 -2.185 10.828 8.714 1.00 0.00 O ATOM 0 H TYR B 670 1.106 8.710 1.582 1.00 0.00 H new ATOM 0 HA TYR B 670 -0.744 10.633 2.642 1.00 0.00 H new ATOM 0 HB2 TYR B 670 -0.436 8.266 3.447 1.00 0.00 H new ATOM 0 HB3 TYR B 670 1.149 8.711 4.049 1.00 0.00 H new ATOM 0 HD1 TYR B 670 1.350 10.320 5.958 1.00 0.00 H new ATOM 0 HD2 TYR B 670 -2.446 8.905 4.640 1.00 0.00 H new ATOM 0 HE1 TYR B 670 0.343 11.069 8.066 1.00 0.00 H new ATOM 0 HE2 TYR B 670 -3.459 9.657 6.748 1.00 0.00 H new ATOM 0 HH TYR B 670 -3.143 10.622 8.710 1.00 0.00 H new ATOM 2239 N HIS B 671 2.487 10.967 3.282 1.00 0.00 N ATOM 2240 CA HIS B 671 3.503 11.923 3.709 1.00 0.00 C ATOM 2241 C HIS B 671 3.469 13.176 2.840 1.00 0.00 C ATOM 2242 O HIS B 671 3.923 14.242 3.254 1.00 0.00 O ATOM 2243 CB HIS B 671 4.890 11.283 3.650 1.00 0.00 C ATOM 2244 CG HIS B 671 5.853 11.849 4.648 1.00 0.00 C ATOM 2245 ND1 HIS B 671 5.629 11.823 6.008 1.00 0.00 N ATOM 2246 CD2 HIS B 671 7.051 12.456 4.477 1.00 0.00 C ATOM 2247 CE1 HIS B 671 6.647 12.391 6.631 1.00 0.00 C ATOM 2248 NE2 HIS B 671 7.523 12.784 5.724 1.00 0.00 N ATOM 0 H HIS B 671 2.853 10.053 3.014 1.00 0.00 H new ATOM 0 HA HIS B 671 3.288 12.211 4.738 1.00 0.00 H new ATOM 0 HB2 HIS B 671 4.794 10.210 3.818 1.00 0.00 H new ATOM 0 HB3 HIS B 671 5.299 11.413 2.648 1.00 0.00 H new ATOM 0 HD2 HIS B 671 7.544 12.647 3.535 1.00 0.00 H new ATOM 0 HE1 HIS B 671 6.746 12.513 7.700 1.00 0.00 H new ATOM 0 HE2 HIS B 671 8.407 13.255 5.918 1.00 0.00 H new ATOM 2255 N ALA B 672 2.930 13.039 1.633 1.00 0.00 N ATOM 2256 CA ALA B 672 2.837 14.160 0.706 1.00 0.00 C ATOM 2257 C ALA B 672 2.159 15.359 1.362 1.00 0.00 C ATOM 2258 O ALA B 672 2.573 16.501 1.165 1.00 0.00 O ATOM 2259 CB ALA B 672 2.083 13.746 -0.548 1.00 0.00 C ATOM 0 H ALA B 672 2.551 12.163 1.274 1.00 0.00 H new ATOM 0 HA ALA B 672 3.849 14.455 0.427 1.00 0.00 H new ATOM 0 HB1 ALA B 672 2.021 14.593 -1.232 1.00 0.00 H new ATOM 0 HB2 ALA B 672 2.609 12.925 -1.035 1.00 0.00 H new ATOM 0 HB3 ALA B 672 1.077 13.423 -0.278 1.00 0.00 H new ATOM 2265 N MET B 673 1.116 15.090 2.140 1.00 0.00 N ATOM 2266 CA MET B 673 0.381 16.149 2.825 1.00 0.00 C ATOM 2267 C MET B 673 1.264 16.844 3.857 1.00 0.00 C ATOM 2268 O MET B 673 1.255 18.069 3.971 1.00 0.00 O ATOM 2269 CB MET B 673 -0.864 15.576 3.505 1.00 0.00 C ATOM 2270 CG MET B 673 -1.628 16.597 4.331 1.00 0.00 C ATOM 2271 SD MET B 673 -1.713 16.155 6.077 1.00 0.00 S ATOM 2272 CE MET B 673 -2.501 14.550 5.981 1.00 0.00 C ATOM 0 H MET B 673 0.760 14.150 2.312 1.00 0.00 H new ATOM 0 HA MET B 673 0.075 16.885 2.081 1.00 0.00 H new ATOM 0 HB2 MET B 673 -1.528 15.166 2.744 1.00 0.00 H new ATOM 0 HB3 MET B 673 -0.568 14.748 4.149 1.00 0.00 H new ATOM 0 HG2 MET B 673 -1.150 17.571 4.230 1.00 0.00 H new ATOM 0 HG3 MET B 673 -2.639 16.695 3.936 1.00 0.00 H new ATOM 0 HE1 MET B 673 -3.075 14.372 6.890 1.00 0.00 H new ATOM 0 HE2 MET B 673 -3.168 14.523 5.119 1.00 0.00 H new ATOM 0 HE3 MET B 673 -1.740 13.777 5.875 1.00 0.00 H new