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: B 637 GLN : amide:sc= -0.654 X(o=-2.6,f=-2.3) USER MOD Set 1.2: B 641 GLN : amide:sc= -1.95 X(o=-2.6,f=-2.9!) USER MOD Set 2.1: A 75 ASN :FLIP amide:sc= 1.55 F(o=-1.8,f=2.2) USER MOD Set 2.2: B 648 THR OG1 : rot 160:sc= 0.674 USER MOD Set 3.1: A 66 ASN :FLIP amide:sc= -0.0647 F(o=0.59,f=1.2) USER MOD Set 3.2: A 67 THR OG1 : rot 68:sc= 1.24 USER MOD Set 4.1: A 25 MET CE :methyl 145:sc= -1.81 (180deg=-4.62!) USER MOD Set 4.2: B 663 MET CE :methyl 167:sc= -2.22 (180deg=-1.69) USER MOD Single : A 21 LYS NZ :NH3+ 141:sc= -0.0753 (180deg=-0.669) USER MOD Single : A 27 HIS : no HD1:sc= -0.941 X(o=-0.94,f=-0.56) USER MOD Single : A 28 THR OG1 : rot -70:sc= -1.61 USER MOD Single : A 31 GLN : amide:sc= -0.37 X(o=-0.37,f=-0.17) USER MOD Single : A 52 GLN : amide:sc= -0.199 K(o=-0.2,f=-1.4!) USER MOD Single : A 55 HIS :FLIP no HD1:sc= -0.177 F(o=-0.8,f=-0.18) USER MOD Single : A 64 LYS NZ :NH3+ -148:sc= -0.153 (180deg=-0.651) USER MOD Single : A 73 GLN : amide:sc= 0 K(o=0,f=-0.8) 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= -0.501 K(o=-0.5,f=-2.3!) USER MOD Single : B 628 SER OG : rot 180:sc= 0 USER MOD Single : B 642 SER OG : rot 180:sc= 0 USER MOD Single : B 645 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 651 THR OG1 : rot 180:sc= 0 USER MOD Single : B 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 658 GLN : amide:sc= -1.78 K(o=-1.8,f=-3.9!) USER MOD Single : B 660 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 661 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 670 TYR OH : rot 180:sc= 0 USER MOD Single : B 671 HIS : no HD1:sc=-0.000351 X(o=-0.00035,f=-0.072) USER MOD Single : B 673 MET CE :methyl 168:sc= -0.0101 (180deg=-0.266) USER MOD ----------------------------------------------------------------- ATOM 222 N ALA A 17 -6.244 -16.589 6.876 1.00 0.00 N ATOM 223 CA ALA A 17 -5.762 -15.386 7.544 1.00 0.00 C ATOM 224 C ALA A 17 -5.625 -14.229 6.562 1.00 0.00 C ATOM 225 O ALA A 17 -5.705 -13.062 6.945 1.00 0.00 O ATOM 226 CB ALA A 17 -4.430 -15.661 8.228 1.00 0.00 C ATOM 0 HA ALA A 17 -6.495 -15.101 8.299 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -4.081 -14.755 8.723 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -4.557 -16.452 8.967 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -3.697 -15.973 7.484 1.00 0.00 H new ATOM 232 N PHE A 18 -5.418 -14.560 5.291 1.00 0.00 N ATOM 233 CA PHE A 18 -5.268 -13.546 4.252 1.00 0.00 C ATOM 234 C PHE A 18 -6.465 -12.598 4.241 1.00 0.00 C ATOM 235 O PHE A 18 -6.303 -11.379 4.270 1.00 0.00 O ATOM 236 CB PHE A 18 -5.117 -14.209 2.882 1.00 0.00 C ATOM 237 CG PHE A 18 -4.508 -13.310 1.844 1.00 0.00 C ATOM 238 CD1 PHE A 18 -3.133 -13.170 1.751 1.00 0.00 C ATOM 239 CD2 PHE A 18 -5.312 -12.603 0.964 1.00 0.00 C ATOM 240 CE1 PHE A 18 -2.570 -12.343 0.797 1.00 0.00 C ATOM 241 CE2 PHE A 18 -4.754 -11.775 0.008 1.00 0.00 C ATOM 242 CZ PHE A 18 -3.382 -11.644 -0.074 1.00 0.00 C ATOM 0 H PHE A 18 -5.350 -15.521 4.956 1.00 0.00 H new ATOM 0 HA PHE A 18 -4.370 -12.968 4.470 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.500 -15.101 2.985 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -6.097 -14.538 2.536 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -2.494 -13.713 2.431 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -6.386 -12.700 1.026 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.496 -12.244 0.733 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -5.391 -11.231 -0.674 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.944 -10.996 -0.819 1.00 0.00 H new ATOM 251 N ALA A 19 -7.664 -13.169 4.200 1.00 0.00 N ATOM 252 CA ALA A 19 -8.886 -12.376 4.186 1.00 0.00 C ATOM 253 C ALA A 19 -8.934 -11.420 5.374 1.00 0.00 C ATOM 254 O ALA A 19 -9.474 -10.318 5.274 1.00 0.00 O ATOM 255 CB ALA A 19 -10.106 -13.285 4.190 1.00 0.00 C ATOM 0 H ALA A 19 -7.815 -14.177 4.176 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.892 -11.781 3.273 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -11.012 -12.679 4.179 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -10.087 -13.924 3.307 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -10.095 -13.905 5.086 1.00 0.00 H new ATOM 261 N ALA A 20 -8.365 -11.848 6.495 1.00 0.00 N ATOM 262 CA ALA A 20 -8.342 -11.029 7.701 1.00 0.00 C ATOM 263 C ALA A 20 -7.563 -9.738 7.472 1.00 0.00 C ATOM 264 O ALA A 20 -7.961 -8.669 7.937 1.00 0.00 O ATOM 265 CB ALA A 20 -7.740 -11.811 8.859 1.00 0.00 C ATOM 0 H ALA A 20 -7.914 -12.757 6.594 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.370 -10.765 7.950 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.729 -11.187 9.753 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.338 -12.703 9.046 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.720 -12.104 8.609 1.00 0.00 H new ATOM 271 N LYS A 21 -6.450 -9.842 6.753 1.00 0.00 N ATOM 272 CA LYS A 21 -5.616 -8.683 6.462 1.00 0.00 C ATOM 273 C LYS A 21 -6.282 -7.776 5.432 1.00 0.00 C ATOM 274 O LYS A 21 -6.207 -6.552 5.528 1.00 0.00 O ATOM 275 CB LYS A 21 -4.245 -9.132 5.949 1.00 0.00 C ATOM 276 CG LYS A 21 -3.541 -10.112 6.872 1.00 0.00 C ATOM 277 CD LYS A 21 -2.187 -9.583 7.317 1.00 0.00 C ATOM 278 CE LYS A 21 -2.333 -8.438 8.307 1.00 0.00 C ATOM 279 NZ LYS A 21 -1.497 -8.644 9.522 1.00 0.00 N ATOM 0 H LYS A 21 -6.105 -10.718 6.361 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.487 -8.120 7.386 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.366 -9.592 4.968 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.612 -8.255 5.813 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.164 -10.302 7.746 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.410 -11.066 6.360 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.613 -10.389 7.774 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.624 -9.244 6.447 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.048 -7.503 7.825 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.379 -8.341 8.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.085 -7.736 9.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.088 -9.022 10.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.734 -9.318 9.308 1.00 0.00 H new ATOM 289 N ALA A 22 -6.936 -8.386 4.449 1.00 0.00 N ATOM 290 CA ALA A 22 -7.620 -7.635 3.404 1.00 0.00 C ATOM 291 C ALA A 22 -8.702 -6.736 3.993 1.00 0.00 C ATOM 292 O ALA A 22 -8.863 -5.589 3.579 1.00 0.00 O ATOM 293 CB ALA A 22 -8.220 -8.583 2.377 1.00 0.00 C ATOM 0 H ALA A 22 -7.006 -9.399 4.355 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.886 -7.000 2.909 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -8.727 -8.007 1.603 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.427 -9.179 1.925 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.936 -9.243 2.866 1.00 0.00 H new ATOM 299 N GLY A 23 -9.441 -7.266 4.962 1.00 0.00 N ATOM 300 CA GLY A 23 -10.500 -6.498 5.592 1.00 0.00 C ATOM 301 C GLY A 23 -9.965 -5.372 6.456 1.00 0.00 C ATOM 302 O GLY A 23 -10.595 -4.322 6.580 1.00 0.00 O ATOM 0 H GLY A 23 -9.326 -8.213 5.322 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.151 -6.083 4.822 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.112 -7.162 6.203 1.00 0.00 H new ATOM 306 N LEU A 24 -8.799 -5.591 7.054 1.00 0.00 N ATOM 307 CA LEU A 24 -8.180 -4.588 7.913 1.00 0.00 C ATOM 308 C LEU A 24 -7.473 -3.522 7.082 1.00 0.00 C ATOM 309 O LEU A 24 -7.354 -2.371 7.502 1.00 0.00 O ATOM 310 CB LEU A 24 -7.185 -5.250 8.867 1.00 0.00 C ATOM 311 CG LEU A 24 -6.989 -4.559 10.218 1.00 0.00 C ATOM 312 CD1 LEU A 24 -7.722 -5.315 11.314 1.00 0.00 C ATOM 313 CD2 LEU A 24 -5.508 -4.441 10.547 1.00 0.00 C ATOM 0 H LEU A 24 -8.263 -6.454 6.960 1.00 0.00 H new ATOM 0 HA LEU A 24 -8.967 -4.107 8.494 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.513 -6.274 9.049 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.218 -5.309 8.368 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.407 -3.554 10.155 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.572 -4.809 12.268 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -8.787 -5.347 11.084 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.334 -6.332 11.377 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.388 -3.947 11.511 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.065 -5.436 10.591 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.009 -3.855 9.775 1.00 0.00 H new ATOM 324 N MET A 25 -7.008 -3.912 5.899 1.00 0.00 N ATOM 325 CA MET A 25 -6.317 -2.990 5.007 1.00 0.00 C ATOM 326 C MET A 25 -7.155 -1.739 4.763 1.00 0.00 C ATOM 327 O MET A 25 -6.721 -0.623 5.048 1.00 0.00 O ATOM 328 CB MET A 25 -5.999 -3.673 3.676 1.00 0.00 C ATOM 329 CG MET A 25 -5.372 -2.744 2.649 1.00 0.00 C ATOM 330 SD MET A 25 -3.723 -3.273 2.150 1.00 0.00 S ATOM 331 CE MET A 25 -2.717 -2.457 3.386 1.00 0.00 C ATOM 0 H MET A 25 -7.098 -4.861 5.537 1.00 0.00 H new ATOM 0 HA MET A 25 -5.384 -2.693 5.485 1.00 0.00 H new ATOM 0 HB2 MET A 25 -5.323 -4.508 3.858 1.00 0.00 H new ATOM 0 HB3 MET A 25 -6.917 -4.090 3.263 1.00 0.00 H new ATOM 0 HG2 MET A 25 -6.015 -2.694 1.770 1.00 0.00 H new ATOM 0 HG3 MET A 25 -5.317 -1.737 3.062 1.00 0.00 H new ATOM 0 HE1 MET A 25 -1.865 -3.089 3.637 1.00 0.00 H new ATOM 0 HE2 MET A 25 -2.359 -1.505 2.993 1.00 0.00 H new ATOM 0 HE3 MET A 25 -3.313 -2.279 4.281 1.00 0.00 H new ATOM 339 N ARG A 26 -8.358 -1.933 4.232 1.00 0.00 N ATOM 340 CA ARG A 26 -9.257 -0.820 3.948 1.00 0.00 C ATOM 341 C ARG A 26 -9.553 -0.024 5.216 1.00 0.00 C ATOM 342 O ARG A 26 -9.867 1.165 5.155 1.00 0.00 O ATOM 343 CB ARG A 26 -10.562 -1.334 3.339 1.00 0.00 C ATOM 344 CG ARG A 26 -10.409 -1.850 1.918 1.00 0.00 C ATOM 345 CD ARG A 26 -11.754 -1.955 1.215 1.00 0.00 C ATOM 346 NE ARG A 26 -12.438 -0.667 1.147 1.00 0.00 N ATOM 347 CZ ARG A 26 -13.668 -0.512 0.672 1.00 0.00 C ATOM 348 NH1 ARG A 26 -14.347 -1.560 0.226 1.00 0.00 N ATOM 349 NH2 ARG A 26 -14.223 0.693 0.643 1.00 0.00 N ATOM 0 H ARG A 26 -8.733 -2.850 3.990 1.00 0.00 H new ATOM 0 HA ARG A 26 -8.765 -0.161 3.232 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -10.956 -2.134 3.966 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -11.298 -0.530 3.347 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -9.755 -1.183 1.356 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -9.929 -2.828 1.935 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -11.607 -2.341 0.206 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -12.383 -2.672 1.742 1.00 0.00 H new ATOM 0 HE ARG A 26 -11.944 0.159 1.483 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -13.924 -2.488 0.247 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -15.292 -1.438 -0.138 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -13.705 1.502 0.986 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -15.168 0.811 0.278 1.00 0.00 H new ATOM 360 N HIS A 27 -9.453 -0.688 6.362 1.00 0.00 N ATOM 361 CA HIS A 27 -9.710 -0.041 7.645 1.00 0.00 C ATOM 362 C HIS A 27 -8.565 0.895 8.021 1.00 0.00 C ATOM 363 O HIS A 27 -8.759 1.869 8.749 1.00 0.00 O ATOM 364 CB HIS A 27 -9.906 -1.091 8.739 1.00 0.00 C ATOM 365 CG HIS A 27 -10.556 -0.553 9.976 1.00 0.00 C ATOM 366 ND1 HIS A 27 -11.257 0.634 10.002 1.00 0.00 N ATOM 367 CD2 HIS A 27 -10.612 -1.049 11.235 1.00 0.00 C ATOM 368 CE1 HIS A 27 -11.713 0.846 11.224 1.00 0.00 C ATOM 369 NE2 HIS A 27 -11.336 -0.161 11.991 1.00 0.00 N ATOM 0 H HIS A 27 -9.196 -1.673 6.430 1.00 0.00 H new ATOM 0 HA HIS A 27 -10.622 0.549 7.550 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -10.513 -1.906 8.344 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -8.937 -1.514 9.003 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -10.169 -1.972 11.580 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -12.295 1.698 11.542 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -11.548 -0.262 12.984 1.00 0.00 H new ATOM 376 N THR A 28 -7.372 0.593 7.520 1.00 0.00 N ATOM 377 CA THR A 28 -6.195 1.406 7.805 1.00 0.00 C ATOM 378 C THR A 28 -6.270 2.750 7.090 1.00 0.00 C ATOM 379 O THR A 28 -6.015 3.796 7.687 1.00 0.00 O ATOM 380 CB THR A 28 -4.901 0.686 7.386 1.00 0.00 C ATOM 381 OG1 THR A 28 -5.085 -0.733 7.451 1.00 0.00 O ATOM 382 CG2 THR A 28 -3.741 1.093 8.283 1.00 0.00 C ATOM 0 H THR A 28 -7.194 -0.209 6.915 1.00 0.00 H new ATOM 0 HA THR A 28 -6.177 1.571 8.882 1.00 0.00 H new ATOM 0 HB THR A 28 -4.667 0.975 6.361 1.00 0.00 H new ATOM 0 HG1 THR A 28 -5.154 -1.011 8.388 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.837 0.572 7.968 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.584 2.169 8.209 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.970 0.830 9.316 1.00 0.00 H new ATOM 390 N ILE A 29 -6.622 2.714 5.809 1.00 0.00 N ATOM 391 CA ILE A 29 -6.732 3.931 5.014 1.00 0.00 C ATOM 392 C ILE A 29 -7.973 4.729 5.398 1.00 0.00 C ATOM 393 O ILE A 29 -7.905 5.939 5.611 1.00 0.00 O ATOM 394 CB ILE A 29 -6.784 3.616 3.507 1.00 0.00 C ATOM 395 CG1 ILE A 29 -5.492 2.929 3.063 1.00 0.00 C ATOM 396 CG2 ILE A 29 -7.016 4.890 2.707 1.00 0.00 C ATOM 397 CD1 ILE A 29 -5.509 1.428 3.254 1.00 0.00 C ATOM 0 H ILE A 29 -6.836 1.856 5.300 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.842 4.525 5.223 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.616 2.937 3.321 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.315 3.151 2.011 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.656 3.349 3.622 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -7.050 4.651 1.644 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -7.961 5.342 3.008 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.203 5.591 2.895 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.561 1.008 2.918 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.655 1.197 4.309 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.324 0.996 2.673 1.00 0.00 H new ATOM 408 N GLY A 30 -9.108 4.042 5.487 1.00 0.00 N ATOM 409 CA GLY A 30 -10.349 4.703 5.848 1.00 0.00 C ATOM 410 C GLY A 30 -10.234 5.486 7.141 1.00 0.00 C ATOM 411 O GLY A 30 -10.652 6.641 7.212 1.00 0.00 O ATOM 0 H GLY A 30 -9.190 3.040 5.316 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.645 5.377 5.044 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.138 3.958 5.947 1.00 0.00 H new ATOM 415 N GLN A 31 -9.667 4.856 8.164 1.00 0.00 N ATOM 416 CA GLN A 31 -9.502 5.501 9.461 1.00 0.00 C ATOM 417 C GLN A 31 -8.401 6.555 9.408 1.00 0.00 C ATOM 418 O GLN A 31 -8.480 7.583 10.079 1.00 0.00 O ATOM 419 CB GLN A 31 -9.176 4.460 10.535 1.00 0.00 C ATOM 420 CG GLN A 31 -10.405 3.764 11.099 1.00 0.00 C ATOM 421 CD GLN A 31 -11.283 4.696 11.909 1.00 0.00 C ATOM 422 OE1 GLN A 31 -11.036 4.927 13.093 1.00 0.00 O ATOM 423 NE2 GLN A 31 -12.317 5.237 11.275 1.00 0.00 N ATOM 0 H GLN A 31 -9.314 3.900 8.120 1.00 0.00 H new ATOM 0 HA GLN A 31 -10.440 5.994 9.715 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.506 3.711 10.112 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.638 4.946 11.349 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -10.988 3.343 10.280 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.090 2.931 11.727 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -12.485 5.018 10.293 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -12.944 5.872 11.770 1.00 0.00 H new ATOM 430 N ALA A 32 -7.374 6.292 8.607 1.00 0.00 N ATOM 431 CA ALA A 32 -6.258 7.218 8.465 1.00 0.00 C ATOM 432 C ALA A 32 -6.688 8.490 7.743 1.00 0.00 C ATOM 433 O ALA A 32 -6.115 9.558 7.952 1.00 0.00 O ATOM 434 CB ALA A 32 -5.109 6.551 7.723 1.00 0.00 C ATOM 0 H ALA A 32 -7.292 5.444 8.046 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.919 7.495 9.463 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.282 7.255 7.624 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.776 5.675 8.280 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.445 6.245 6.732 1.00 0.00 H new ATOM 440 N GLU A 33 -7.701 8.367 6.891 1.00 0.00 N ATOM 441 CA GLU A 33 -8.207 9.508 6.136 1.00 0.00 C ATOM 442 C GLU A 33 -8.983 10.459 7.043 1.00 0.00 C ATOM 443 O GLU A 33 -8.975 11.672 6.837 1.00 0.00 O ATOM 444 CB GLU A 33 -9.104 9.033 4.990 1.00 0.00 C ATOM 445 CG GLU A 33 -9.481 10.137 4.016 1.00 0.00 C ATOM 446 CD GLU A 33 -10.196 9.609 2.787 1.00 0.00 C ATOM 447 OE1 GLU A 33 -9.645 8.709 2.122 1.00 0.00 O ATOM 448 OE2 GLU A 33 -11.306 10.099 2.491 1.00 0.00 O ATOM 0 H GLU A 33 -8.187 7.490 6.706 1.00 0.00 H new ATOM 0 HA GLU A 33 -7.353 10.044 5.721 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -8.594 8.238 4.446 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -10.014 8.601 5.407 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -10.121 10.860 4.522 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.581 10.668 3.708 1.00 0.00 H new ATOM 658 N PHE A 51 -2.877 20.509 -1.042 1.00 0.00 N ATOM 659 CA PHE A 51 -3.512 19.540 -0.156 1.00 0.00 C ATOM 660 C PHE A 51 -4.416 18.595 -0.942 1.00 0.00 C ATOM 661 O PHE A 51 -4.537 17.417 -0.611 1.00 0.00 O ATOM 662 CB PHE A 51 -4.323 20.259 0.923 1.00 0.00 C ATOM 663 CG PHE A 51 -4.415 19.495 2.213 1.00 0.00 C ATOM 664 CD1 PHE A 51 -5.374 18.510 2.383 1.00 0.00 C ATOM 665 CD2 PHE A 51 -3.543 19.763 3.256 1.00 0.00 C ATOM 666 CE1 PHE A 51 -5.461 17.804 3.568 1.00 0.00 C ATOM 667 CE2 PHE A 51 -3.625 19.060 4.443 1.00 0.00 C ATOM 668 CZ PHE A 51 -4.586 18.081 4.600 1.00 0.00 C ATOM 0 HA PHE A 51 -2.727 18.952 0.320 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -3.872 21.232 1.118 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.329 20.444 0.547 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -6.062 18.291 1.580 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.791 20.530 3.140 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -6.212 17.037 3.687 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -2.938 19.276 5.248 1.00 0.00 H new ATOM 0 HZ PHE A 51 -4.653 17.533 5.528 1.00 0.00 H new ATOM 677 N GLN A 52 -5.049 19.122 -1.986 1.00 0.00 N ATOM 678 CA GLN A 52 -5.942 18.326 -2.819 1.00 0.00 C ATOM 679 C GLN A 52 -5.164 17.276 -3.603 1.00 0.00 C ATOM 680 O GLN A 52 -5.473 16.085 -3.542 1.00 0.00 O ATOM 681 CB GLN A 52 -6.716 19.229 -3.782 1.00 0.00 C ATOM 682 CG GLN A 52 -7.474 18.466 -4.855 1.00 0.00 C ATOM 683 CD GLN A 52 -8.924 18.896 -4.963 1.00 0.00 C ATOM 684 OE1 GLN A 52 -9.290 19.996 -4.546 1.00 0.00 O ATOM 685 NE2 GLN A 52 -9.758 18.031 -5.526 1.00 0.00 N ATOM 0 H GLN A 52 -4.960 20.096 -2.274 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.648 17.815 -2.165 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.421 19.834 -3.212 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -6.019 19.917 -4.261 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -6.983 18.614 -5.817 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -7.431 17.399 -4.636 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -9.412 17.131 -5.858 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -10.745 18.266 -5.627 1.00 0.00 H new ATOM 692 N ALA A 53 -4.152 17.723 -4.339 1.00 0.00 N ATOM 693 CA ALA A 53 -3.328 16.821 -5.135 1.00 0.00 C ATOM 694 C ALA A 53 -2.810 15.661 -4.289 1.00 0.00 C ATOM 695 O ALA A 53 -2.865 14.504 -4.706 1.00 0.00 O ATOM 696 CB ALA A 53 -2.167 17.579 -5.760 1.00 0.00 C ATOM 0 H ALA A 53 -3.883 18.705 -4.401 1.00 0.00 H new ATOM 0 HA ALA A 53 -3.949 16.409 -5.931 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -1.561 16.893 -6.351 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -2.553 18.369 -6.404 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.554 18.019 -4.973 1.00 0.00 H new ATOM 702 N ALA A 54 -2.309 15.980 -3.100 1.00 0.00 N ATOM 703 CA ALA A 54 -1.783 14.964 -2.197 1.00 0.00 C ATOM 704 C ALA A 54 -2.883 14.009 -1.745 1.00 0.00 C ATOM 705 O ALA A 54 -2.658 12.806 -1.614 1.00 0.00 O ATOM 706 CB ALA A 54 -1.123 15.620 -0.993 1.00 0.00 C ATOM 0 H ALA A 54 -2.256 16.933 -2.740 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.034 14.384 -2.737 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.734 14.850 -0.327 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.304 16.256 -1.329 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.857 16.224 -0.460 1.00 0.00 H new ATOM 712 N HIS A 55 -4.071 14.553 -1.508 1.00 0.00 N ATOM 713 CA HIS A 55 -5.207 13.749 -1.069 1.00 0.00 C ATOM 714 C HIS A 55 -5.672 12.815 -2.182 1.00 0.00 C ATOM 715 O HIS A 55 -6.042 11.668 -1.929 1.00 0.00 O ATOM 716 CB HIS A 55 -6.360 14.652 -0.630 1.00 0.00 C ATOM 717 CG HIS A 55 -7.566 13.897 -0.161 1.00 0.00 C ATOM 718 ND1 HIS A 55 -8.445 13.125 -0.840 1.00 0.00 N flip ATOM 719 CD2 HIS A 55 -7.985 13.890 1.152 1.00 0.00 C flip ATOM 720 CE1 HIS A 55 -9.370 12.667 0.067 1.00 0.00 C flip ATOM 721 NE2 HIS A 55 -9.069 13.143 1.262 1.00 0.00 N flip ATOM 0 H HIS A 55 -4.273 15.547 -1.612 1.00 0.00 H new ATOM 0 HA HIS A 55 -4.887 13.145 -0.220 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -6.015 15.304 0.172 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -6.645 15.295 -1.463 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -7.502 14.413 1.964 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -10.207 12.023 -0.160 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -9.586 12.964 2.123 1.00 0.00 H new ATOM 728 N ALA A 56 -5.651 13.313 -3.414 1.00 0.00 N ATOM 729 CA ALA A 56 -6.070 12.522 -4.565 1.00 0.00 C ATOM 730 C ALA A 56 -5.041 11.446 -4.895 1.00 0.00 C ATOM 731 O ALA A 56 -5.388 10.374 -5.392 1.00 0.00 O ATOM 732 CB ALA A 56 -6.298 13.424 -5.769 1.00 0.00 C ATOM 0 H ALA A 56 -5.348 14.260 -3.641 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.007 12.026 -4.313 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.610 12.821 -6.621 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -7.074 14.153 -5.536 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.373 13.946 -6.013 1.00 0.00 H new ATOM 738 N ARG A 57 -3.775 11.739 -4.616 1.00 0.00 N ATOM 739 CA ARG A 57 -2.696 10.797 -4.886 1.00 0.00 C ATOM 740 C ARG A 57 -2.864 9.526 -4.057 1.00 0.00 C ATOM 741 O ARG A 57 -2.667 8.418 -4.554 1.00 0.00 O ATOM 742 CB ARG A 57 -1.341 11.440 -4.584 1.00 0.00 C ATOM 743 CG ARG A 57 -0.876 12.410 -5.657 1.00 0.00 C ATOM 744 CD ARG A 57 0.185 13.363 -5.125 1.00 0.00 C ATOM 745 NE ARG A 57 1.430 13.273 -5.882 1.00 0.00 N ATOM 746 CZ ARG A 57 2.493 14.031 -5.640 1.00 0.00 C ATOM 747 NH1 ARG A 57 2.463 14.930 -4.666 1.00 0.00 N ATOM 748 NH2 ARG A 57 3.591 13.891 -6.373 1.00 0.00 N ATOM 0 H ARG A 57 -3.472 12.621 -4.203 1.00 0.00 H new ATOM 0 HA ARG A 57 -2.736 10.530 -5.942 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -1.402 11.967 -3.632 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -0.594 10.655 -4.467 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.475 11.853 -6.504 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.728 12.981 -6.026 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -0.192 14.385 -5.167 1.00 0.00 H new ATOM 0 HD3 ARG A 57 0.381 13.138 -4.077 1.00 0.00 H new ATOM 0 HE ARG A 57 1.486 12.591 -6.638 1.00 0.00 H new ATOM 0 HH11 ARG A 57 1.622 15.041 -4.100 1.00 0.00 H new ATOM 0 HH12 ARG A 57 3.281 15.511 -4.483 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.619 13.200 -7.123 1.00 0.00 H new ATOM 0 HH22 ARG A 57 4.407 14.474 -6.186 1.00 0.00 H new ATOM 759 N PHE A 58 -3.229 9.696 -2.790 1.00 0.00 N ATOM 760 CA PHE A 58 -3.421 8.565 -1.892 1.00 0.00 C ATOM 761 C PHE A 58 -4.546 7.661 -2.389 1.00 0.00 C ATOM 762 O PHE A 58 -4.356 6.458 -2.572 1.00 0.00 O ATOM 763 CB PHE A 58 -3.735 9.056 -0.478 1.00 0.00 C ATOM 764 CG PHE A 58 -3.510 8.017 0.583 1.00 0.00 C ATOM 765 CD1 PHE A 58 -4.273 6.861 0.611 1.00 0.00 C ATOM 766 CD2 PHE A 58 -2.534 8.195 1.550 1.00 0.00 C ATOM 767 CE1 PHE A 58 -4.068 5.902 1.586 1.00 0.00 C ATOM 768 CE2 PHE A 58 -2.324 7.239 2.526 1.00 0.00 C ATOM 769 CZ PHE A 58 -3.093 6.093 2.545 1.00 0.00 C ATOM 0 H PHE A 58 -3.398 10.607 -2.363 1.00 0.00 H new ATOM 0 HA PHE A 58 -2.496 7.989 -1.872 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.117 9.927 -0.259 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.774 9.384 -0.439 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -5.037 6.707 -0.137 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.931 9.091 1.541 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -4.670 5.005 1.597 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -1.559 7.389 3.273 1.00 0.00 H new ATOM 0 HZ PHE A 58 -2.932 5.347 3.309 1.00 0.00 H new ATOM 778 N VAL A 59 -5.718 8.250 -2.605 1.00 0.00 N ATOM 779 CA VAL A 59 -6.874 7.499 -3.082 1.00 0.00 C ATOM 780 C VAL A 59 -6.598 6.871 -4.443 1.00 0.00 C ATOM 781 O VAL A 59 -7.103 5.793 -4.754 1.00 0.00 O ATOM 782 CB VAL A 59 -8.121 8.397 -3.186 1.00 0.00 C ATOM 783 CG1 VAL A 59 -7.812 9.651 -3.987 1.00 0.00 C ATOM 784 CG2 VAL A 59 -9.279 7.629 -3.806 1.00 0.00 C ATOM 0 H VAL A 59 -5.892 9.244 -2.457 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.063 6.710 -2.354 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.413 8.701 -2.181 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -8.705 10.272 -4.049 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.015 10.209 -3.496 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.494 9.372 -4.991 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -10.152 8.278 -3.872 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -9.000 7.293 -4.805 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.516 6.764 -3.186 1.00 0.00 H new ATOM 794 N ALA A 60 -5.794 7.553 -5.251 1.00 0.00 N ATOM 795 CA ALA A 60 -5.449 7.061 -6.579 1.00 0.00 C ATOM 796 C ALA A 60 -4.570 5.817 -6.493 1.00 0.00 C ATOM 797 O ALA A 60 -4.672 4.915 -7.323 1.00 0.00 O ATOM 798 CB ALA A 60 -4.749 8.150 -7.380 1.00 0.00 C ATOM 0 H ALA A 60 -5.369 8.448 -5.009 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.373 6.787 -7.089 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.497 7.769 -8.370 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.411 9.010 -7.480 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.837 8.452 -6.864 1.00 0.00 H new ATOM 804 N ALA A 61 -3.707 5.778 -5.483 1.00 0.00 N ATOM 805 CA ALA A 61 -2.812 4.644 -5.288 1.00 0.00 C ATOM 806 C ALA A 61 -3.539 3.478 -4.628 1.00 0.00 C ATOM 807 O ALA A 61 -3.283 2.316 -4.943 1.00 0.00 O ATOM 808 CB ALA A 61 -1.610 5.059 -4.453 1.00 0.00 C ATOM 0 H ALA A 61 -3.609 6.518 -4.788 1.00 0.00 H new ATOM 0 HA ALA A 61 -2.465 4.314 -6.267 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.950 4.203 -4.315 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -1.069 5.855 -4.964 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -1.949 5.417 -3.481 1.00 0.00 H new ATOM 814 N ALA A 62 -4.447 3.795 -3.711 1.00 0.00 N ATOM 815 CA ALA A 62 -5.213 2.773 -3.007 1.00 0.00 C ATOM 816 C ALA A 62 -5.855 1.797 -3.988 1.00 0.00 C ATOM 817 O ALA A 62 -5.961 0.603 -3.709 1.00 0.00 O ATOM 818 CB ALA A 62 -6.275 3.419 -2.130 1.00 0.00 C ATOM 0 H ALA A 62 -4.670 4.752 -3.438 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.527 2.212 -2.372 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.839 2.644 -1.611 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.796 4.071 -1.399 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.952 4.006 -2.751 1.00 0.00 H new ATOM 824 N ALA A 63 -6.285 2.314 -5.134 1.00 0.00 N ATOM 825 CA ALA A 63 -6.915 1.488 -6.157 1.00 0.00 C ATOM 826 C ALA A 63 -6.003 0.340 -6.575 1.00 0.00 C ATOM 827 O ALA A 63 -6.471 -0.750 -6.905 1.00 0.00 O ATOM 828 CB ALA A 63 -7.288 2.335 -7.363 1.00 0.00 C ATOM 0 H ALA A 63 -6.209 3.302 -5.378 1.00 0.00 H new ATOM 0 HA ALA A 63 -7.823 1.059 -5.734 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.757 1.705 -8.119 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -7.985 3.116 -7.058 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.390 2.792 -7.778 1.00 0.00 H new ATOM 834 N LYS A 64 -4.699 0.590 -6.558 1.00 0.00 N ATOM 835 CA LYS A 64 -3.719 -0.422 -6.935 1.00 0.00 C ATOM 836 C LYS A 64 -3.648 -1.527 -5.886 1.00 0.00 C ATOM 837 O LYS A 64 -3.715 -2.712 -6.213 1.00 0.00 O ATOM 838 CB LYS A 64 -2.340 0.215 -7.116 1.00 0.00 C ATOM 839 CG LYS A 64 -1.219 -0.797 -7.273 1.00 0.00 C ATOM 840 CD LYS A 64 -1.455 -1.709 -8.465 1.00 0.00 C ATOM 841 CE LYS A 64 -0.195 -1.873 -9.301 1.00 0.00 C ATOM 842 NZ LYS A 64 0.292 -0.570 -9.831 1.00 0.00 N ATOM 0 H LYS A 64 -4.295 1.486 -6.287 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.034 -0.863 -7.881 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -2.360 0.862 -7.993 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -2.127 0.850 -6.256 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.270 -0.275 -7.396 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -1.138 -1.396 -6.366 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.791 -2.686 -8.116 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -2.253 -1.300 -9.085 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.586 -2.333 -8.695 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.395 -2.551 -10.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 0.748 -0.719 -10.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.511 0.081 -9.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 0.980 -0.161 -9.167 1.00 0.00 H new ATOM 852 N VAL A 65 -3.512 -1.131 -4.625 1.00 0.00 N ATOM 853 CA VAL A 65 -3.434 -2.088 -3.527 1.00 0.00 C ATOM 854 C VAL A 65 -4.662 -2.990 -3.496 1.00 0.00 C ATOM 855 O VAL A 65 -4.549 -4.203 -3.329 1.00 0.00 O ATOM 856 CB VAL A 65 -3.299 -1.375 -2.169 1.00 0.00 C ATOM 857 CG1 VAL A 65 -3.037 -2.382 -1.060 1.00 0.00 C ATOM 858 CG2 VAL A 65 -2.196 -0.329 -2.223 1.00 0.00 C ATOM 0 H VAL A 65 -3.453 -0.154 -4.338 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.545 -2.695 -3.699 1.00 0.00 H new ATOM 0 HB VAL A 65 -4.239 -0.867 -1.951 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -2.945 -1.859 -0.108 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.865 -3.089 -1.007 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.113 -2.921 -1.269 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.115 0.165 -1.255 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.249 -0.811 -2.465 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -2.433 0.410 -2.988 1.00 0.00 H new ATOM 868 N ASN A 66 -5.836 -2.388 -3.660 1.00 0.00 N ATOM 869 CA ASN A 66 -7.087 -3.137 -3.650 1.00 0.00 C ATOM 870 C ASN A 66 -7.142 -4.118 -4.818 1.00 0.00 C ATOM 871 O ASN A 66 -7.447 -5.297 -4.639 1.00 0.00 O ATOM 872 CB ASN A 66 -8.279 -2.180 -3.716 1.00 0.00 C ATOM 873 CG ASN A 66 -9.504 -2.825 -4.334 1.00 0.00 C ATOM 874 OD1 ASN A 66 -9.612 -2.745 -5.655 1.00 0.00 O flip ATOM 875 ND2 ASN A 66 -10.344 -3.388 -3.631 1.00 0.00 N flip ATOM 0 H ASN A 66 -5.947 -1.384 -3.801 1.00 0.00 H new ATOM 0 HA ASN A 66 -7.136 -3.703 -2.720 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -8.521 -1.836 -2.711 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -8.003 -1.300 -4.297 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -10.220 -3.425 -2.619 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -11.164 -3.817 -4.061 1.00 0.00 H new ATOM 881 N THR A 67 -6.845 -3.622 -6.015 1.00 0.00 N ATOM 882 CA THR A 67 -6.861 -4.452 -7.213 1.00 0.00 C ATOM 883 C THR A 67 -5.926 -5.647 -7.066 1.00 0.00 C ATOM 884 O THR A 67 -6.219 -6.741 -7.549 1.00 0.00 O ATOM 885 CB THR A 67 -6.455 -3.646 -8.461 1.00 0.00 C ATOM 886 OG1 THR A 67 -7.376 -2.570 -8.669 1.00 0.00 O ATOM 887 CG2 THR A 67 -6.423 -4.538 -9.693 1.00 0.00 C ATOM 0 H THR A 67 -6.590 -2.648 -6.181 1.00 0.00 H new ATOM 0 HA THR A 67 -7.884 -4.808 -7.337 1.00 0.00 H new ATOM 0 HB THR A 67 -5.456 -3.242 -8.298 1.00 0.00 H new ATOM 0 HG1 THR A 67 -7.277 -1.911 -7.950 1.00 0.00 H new ATOM 0 HG21 THR A 67 -6.134 -3.947 -10.562 1.00 0.00 H new ATOM 0 HG22 THR A 67 -5.701 -5.340 -9.543 1.00 0.00 H new ATOM 0 HG23 THR A 67 -7.412 -4.966 -9.858 1.00 0.00 H new ATOM 895 N LEU A 68 -4.798 -5.430 -6.397 1.00 0.00 N ATOM 896 CA LEU A 68 -3.819 -6.490 -6.186 1.00 0.00 C ATOM 897 C LEU A 68 -4.284 -7.453 -5.098 1.00 0.00 C ATOM 898 O LEU A 68 -4.006 -8.652 -5.157 1.00 0.00 O ATOM 899 CB LEU A 68 -2.463 -5.890 -5.805 1.00 0.00 C ATOM 900 CG LEU A 68 -1.784 -5.033 -6.875 1.00 0.00 C ATOM 901 CD1 LEU A 68 -0.659 -4.212 -6.266 1.00 0.00 C ATOM 902 CD2 LEU A 68 -1.258 -5.908 -8.004 1.00 0.00 C ATOM 0 H LEU A 68 -4.540 -4.530 -5.992 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.716 -7.046 -7.118 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.596 -5.281 -4.911 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.789 -6.705 -5.539 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.524 -4.347 -7.288 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -0.188 -3.609 -7.042 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -1.063 -3.558 -5.493 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.081 -4.880 -5.826 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.778 -5.282 -8.756 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.533 -6.618 -7.606 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.086 -6.452 -8.459 1.00 0.00 H new ATOM 913 N LEU A 69 -4.994 -6.923 -4.110 1.00 0.00 N ATOM 914 CA LEU A 69 -5.502 -7.736 -3.010 1.00 0.00 C ATOM 915 C LEU A 69 -6.468 -8.800 -3.520 1.00 0.00 C ATOM 916 O LEU A 69 -6.412 -9.956 -3.100 1.00 0.00 O ATOM 917 CB LEU A 69 -6.199 -6.851 -1.975 1.00 0.00 C ATOM 918 CG LEU A 69 -5.631 -6.902 -0.557 1.00 0.00 C ATOM 919 CD1 LEU A 69 -6.428 -5.997 0.370 1.00 0.00 C ATOM 920 CD2 LEU A 69 -5.625 -8.331 -0.035 1.00 0.00 C ATOM 0 H LEU A 69 -5.232 -5.933 -4.047 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.656 -8.236 -2.540 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.160 -5.819 -2.324 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.251 -7.134 -1.934 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.602 -6.543 -0.586 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.009 -6.046 1.375 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.380 -4.971 0.007 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.467 -6.325 0.394 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.217 -8.347 0.976 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.644 -8.718 -0.022 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.009 -8.953 -0.685 1.00 0.00 H new ATOM 931 N ASP A 70 -7.351 -8.404 -4.430 1.00 0.00 N ATOM 932 CA ASP A 70 -8.328 -9.324 -5.001 1.00 0.00 C ATOM 933 C ASP A 70 -7.641 -10.377 -5.865 1.00 0.00 C ATOM 934 O ASP A 70 -7.914 -11.571 -5.740 1.00 0.00 O ATOM 935 CB ASP A 70 -9.358 -8.557 -5.831 1.00 0.00 C ATOM 936 CG ASP A 70 -10.733 -9.194 -5.778 1.00 0.00 C ATOM 937 OD1 ASP A 70 -11.399 -9.082 -4.727 1.00 0.00 O ATOM 938 OD2 ASP A 70 -11.143 -9.805 -6.787 1.00 0.00 O ATOM 0 H ASP A 70 -7.410 -7.451 -4.789 1.00 0.00 H new ATOM 0 HA ASP A 70 -8.838 -9.829 -4.181 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -9.422 -7.531 -5.468 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -9.023 -8.509 -6.867 1.00 0.00 H new ATOM 942 N VAL A 71 -6.749 -9.926 -6.742 1.00 0.00 N ATOM 943 CA VAL A 71 -6.024 -10.828 -7.627 1.00 0.00 C ATOM 944 C VAL A 71 -5.306 -11.916 -6.835 1.00 0.00 C ATOM 945 O VAL A 71 -5.165 -13.046 -7.301 1.00 0.00 O ATOM 946 CB VAL A 71 -4.995 -10.068 -8.483 1.00 0.00 C ATOM 947 CG1 VAL A 71 -4.227 -11.030 -9.377 1.00 0.00 C ATOM 948 CG2 VAL A 71 -5.682 -8.992 -9.311 1.00 0.00 C ATOM 0 H VAL A 71 -6.512 -8.941 -6.858 1.00 0.00 H new ATOM 0 HA VAL A 71 -6.762 -11.288 -8.284 1.00 0.00 H new ATOM 0 HB VAL A 71 -4.282 -9.583 -7.816 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.505 -10.474 -9.974 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.703 -11.760 -8.760 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -4.923 -11.547 -10.038 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -4.940 -8.465 -9.910 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.418 -9.454 -9.969 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.181 -8.286 -8.648 1.00 0.00 H new ATOM 958 N ALA A 72 -4.854 -11.565 -5.635 1.00 0.00 N ATOM 959 CA ALA A 72 -4.152 -12.512 -4.778 1.00 0.00 C ATOM 960 C ALA A 72 -5.085 -13.623 -4.308 1.00 0.00 C ATOM 961 O ALA A 72 -4.752 -14.805 -4.399 1.00 0.00 O ATOM 962 CB ALA A 72 -3.544 -11.791 -3.584 1.00 0.00 C ATOM 0 H ALA A 72 -4.962 -10.633 -5.235 1.00 0.00 H new ATOM 0 HA ALA A 72 -3.351 -12.968 -5.361 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.023 -12.510 -2.952 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.839 -11.037 -3.935 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.335 -11.309 -3.009 1.00 0.00 H new ATOM 968 N GLN A 73 -6.253 -13.236 -3.806 1.00 0.00 N ATOM 969 CA GLN A 73 -7.233 -14.201 -3.322 1.00 0.00 C ATOM 970 C GLN A 73 -7.819 -15.008 -4.475 1.00 0.00 C ATOM 971 O GLN A 73 -8.108 -16.195 -4.330 1.00 0.00 O ATOM 972 CB GLN A 73 -8.352 -13.485 -2.563 1.00 0.00 C ATOM 973 CG GLN A 73 -7.876 -12.767 -1.310 1.00 0.00 C ATOM 974 CD GLN A 73 -8.844 -11.696 -0.849 1.00 0.00 C ATOM 975 OE1 GLN A 73 -9.200 -10.794 -1.608 1.00 0.00 O ATOM 976 NE2 GLN A 73 -9.278 -11.789 0.403 1.00 0.00 N ATOM 0 H GLN A 73 -6.544 -12.262 -3.724 1.00 0.00 H new ATOM 0 HA GLN A 73 -6.726 -14.888 -2.645 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -8.826 -12.763 -3.228 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -9.115 -14.212 -2.287 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -7.736 -13.494 -0.510 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -6.903 -12.314 -1.503 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -8.958 -12.553 0.998 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -9.932 -11.097 0.769 1.00 0.00 H new ATOM 983 N ALA A 74 -7.993 -14.355 -5.620 1.00 0.00 N ATOM 984 CA ALA A 74 -8.543 -15.012 -6.798 1.00 0.00 C ATOM 985 C ALA A 74 -7.554 -16.017 -7.378 1.00 0.00 C ATOM 986 O ALA A 74 -7.947 -17.067 -7.886 1.00 0.00 O ATOM 987 CB ALA A 74 -8.927 -13.979 -7.848 1.00 0.00 C ATOM 0 H ALA A 74 -7.761 -13.371 -5.756 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.438 -15.556 -6.496 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.337 -14.484 -8.723 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.676 -13.302 -7.436 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.044 -13.410 -8.138 1.00 0.00 H new ATOM 993 N ASN A 75 -6.268 -15.687 -7.302 1.00 0.00 N ATOM 994 CA ASN A 75 -5.223 -16.561 -7.820 1.00 0.00 C ATOM 995 C ASN A 75 -4.917 -17.687 -6.838 1.00 0.00 C ATOM 996 O ASN A 75 -4.683 -18.829 -7.238 1.00 0.00 O ATOM 997 CB ASN A 75 -3.952 -15.757 -8.104 1.00 0.00 C ATOM 998 CG ASN A 75 -4.012 -15.030 -9.434 1.00 0.00 C ATOM 999 OD1 ASN A 75 -5.141 -14.386 -9.705 1.00 0.00 O flip ATOM 1000 ND2 ASN A 75 -3.055 -15.048 -10.207 1.00 0.00 N flip ATOM 0 H ASN A 75 -5.926 -14.821 -6.887 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.582 -17.003 -8.750 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -3.797 -15.033 -7.304 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -3.093 -16.427 -8.098 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -2.207 -15.556 -9.957 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -3.110 -14.555 -11.098 1.00 0.00 H new ATOM 1006 N LEU A 76 -4.921 -17.358 -5.551 1.00 0.00 N ATOM 1007 CA LEU A 76 -4.645 -18.342 -4.510 1.00 0.00 C ATOM 1008 C LEU A 76 -5.828 -19.288 -4.327 1.00 0.00 C ATOM 1009 O LEU A 76 -5.653 -20.459 -3.991 1.00 0.00 O ATOM 1010 CB LEU A 76 -4.330 -17.640 -3.188 1.00 0.00 C ATOM 1011 CG LEU A 76 -2.978 -16.929 -3.110 1.00 0.00 C ATOM 1012 CD1 LEU A 76 -2.814 -16.239 -1.766 1.00 0.00 C ATOM 1013 CD2 LEU A 76 -1.843 -17.914 -3.349 1.00 0.00 C ATOM 0 H LEU A 76 -5.112 -16.418 -5.203 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.779 -18.928 -4.819 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.114 -16.909 -2.992 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.376 -18.379 -2.388 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.943 -16.169 -3.891 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -1.846 -15.739 -1.729 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.608 -15.503 -1.635 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -2.870 -16.979 -0.968 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.889 -17.391 -3.290 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.875 -18.697 -2.591 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.951 -18.361 -4.337 1.00 0.00 H new ATOM 1024 N GLY A 77 -7.032 -18.772 -4.550 1.00 0.00 N ATOM 1025 CA GLY A 77 -8.226 -19.585 -4.407 1.00 0.00 C ATOM 1026 C GLY A 77 -8.604 -19.809 -2.956 1.00 0.00 C ATOM 1027 O GLY A 77 -9.603 -19.275 -2.478 1.00 0.00 O ATOM 0 H GLY A 77 -7.203 -17.805 -4.827 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.055 -19.102 -4.925 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -8.066 -20.549 -4.891 1.00 0.00 H new ATOM 1031 N GLU A 78 -7.802 -20.605 -2.255 1.00 0.00 N ATOM 1032 CA GLU A 78 -8.060 -20.902 -0.850 1.00 0.00 C ATOM 1033 C GLU A 78 -8.181 -19.617 -0.036 1.00 0.00 C ATOM 1034 O GLU A 78 -8.914 -19.562 0.951 1.00 0.00 O ATOM 1035 CB GLU A 78 -6.944 -21.778 -0.278 1.00 0.00 C ATOM 1036 CG GLU A 78 -7.284 -23.259 -0.253 1.00 0.00 C ATOM 1037 CD GLU A 78 -6.501 -24.021 0.797 1.00 0.00 C ATOM 1038 OE1 GLU A 78 -5.261 -24.100 0.671 1.00 0.00 O ATOM 1039 OE2 GLU A 78 -7.127 -24.537 1.747 1.00 0.00 O ATOM 0 H GLU A 78 -6.970 -21.055 -2.636 1.00 0.00 H new ATOM 0 HA GLU A 78 -9.005 -21.442 -0.787 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -6.040 -21.631 -0.869 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -6.719 -21.448 0.736 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -8.351 -23.380 -0.064 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -7.084 -23.690 -1.234 1.00 0.00 H new ATOM 1044 N ALA A 79 -7.457 -18.586 -0.459 1.00 0.00 N ATOM 1045 CA ALA A 79 -7.484 -17.301 0.229 1.00 0.00 C ATOM 1046 C ALA A 79 -8.899 -16.733 0.278 1.00 0.00 C ATOM 1047 O ALA A 79 -9.453 -16.516 1.355 1.00 0.00 O ATOM 1048 CB ALA A 79 -6.542 -16.319 -0.451 1.00 0.00 C ATOM 0 H ALA A 79 -6.845 -18.615 -1.274 1.00 0.00 H new ATOM 0 HA ALA A 79 -7.149 -17.459 1.254 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -6.572 -15.364 0.073 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.526 -16.714 -0.428 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -6.852 -16.175 -1.486 1.00 0.00 H new ATOM 1533 N ALA B 620 3.064 11.665 10.636 1.00 0.00 N ATOM 1534 CA ALA B 620 3.775 10.692 9.815 1.00 0.00 C ATOM 1535 C ALA B 620 3.685 9.295 10.417 1.00 0.00 C ATOM 1536 O ALA B 620 3.687 8.297 9.697 1.00 0.00 O ATOM 1537 CB ALA B 620 5.230 11.105 9.647 1.00 0.00 C ATOM 0 HA ALA B 620 3.301 10.667 8.834 1.00 0.00 H new ATOM 0 HB1 ALA B 620 5.748 10.369 9.032 1.00 0.00 H new ATOM 0 HB2 ALA B 620 5.278 12.081 9.163 1.00 0.00 H new ATOM 0 HB3 ALA B 620 5.708 11.161 10.625 1.00 0.00 H new ATOM 1543 N GLY B 621 3.608 9.230 11.743 1.00 0.00 N ATOM 1544 CA GLY B 621 3.520 7.950 12.419 1.00 0.00 C ATOM 1545 C GLY B 621 2.395 7.087 11.884 1.00 0.00 C ATOM 1546 O GLY B 621 2.530 5.867 11.789 1.00 0.00 O ATOM 0 H GLY B 621 3.605 10.042 12.361 1.00 0.00 H new ATOM 0 HA2 GLY B 621 4.465 7.419 12.308 1.00 0.00 H new ATOM 0 HA3 GLY B 621 3.371 8.116 13.486 1.00 0.00 H new ATOM 1550 N TYR B 622 1.282 7.721 11.532 1.00 0.00 N ATOM 1551 CA TYR B 622 0.127 7.002 11.007 1.00 0.00 C ATOM 1552 C TYR B 622 0.476 6.284 9.707 1.00 0.00 C ATOM 1553 O TYR B 622 0.175 5.104 9.536 1.00 0.00 O ATOM 1554 CB TYR B 622 -1.037 7.967 10.772 1.00 0.00 C ATOM 1555 CG TYR B 622 -2.005 8.041 11.931 1.00 0.00 C ATOM 1556 CD1 TYR B 622 -2.836 6.971 12.238 1.00 0.00 C ATOM 1557 CD2 TYR B 622 -2.087 9.182 12.721 1.00 0.00 C ATOM 1558 CE1 TYR B 622 -3.722 7.035 13.296 1.00 0.00 C ATOM 1559 CE2 TYR B 622 -2.970 9.255 13.781 1.00 0.00 C ATOM 1560 CZ TYR B 622 -3.786 8.179 14.065 1.00 0.00 C ATOM 1561 OH TYR B 622 -4.665 8.246 15.120 1.00 0.00 O ATOM 0 H TYR B 622 1.155 8.731 11.601 1.00 0.00 H new ATOM 0 HA TYR B 622 -0.170 6.256 11.744 1.00 0.00 H new ATOM 0 HB2 TYR B 622 -0.639 8.963 10.578 1.00 0.00 H new ATOM 0 HB3 TYR B 622 -1.578 7.660 9.877 1.00 0.00 H new ATOM 0 HD1 TYR B 622 -2.789 6.073 11.639 1.00 0.00 H new ATOM 0 HD2 TYR B 622 -1.449 10.026 12.502 1.00 0.00 H new ATOM 0 HE1 TYR B 622 -4.361 6.194 13.520 1.00 0.00 H new ATOM 0 HE2 TYR B 622 -3.021 10.149 14.384 1.00 0.00 H new ATOM 0 HH TYR B 622 -4.584 9.119 15.559 1.00 0.00 H new ATOM 1570 N ALA B 623 1.117 7.007 8.793 1.00 0.00 N ATOM 1571 CA ALA B 623 1.512 6.441 7.510 1.00 0.00 C ATOM 1572 C ALA B 623 2.289 5.142 7.699 1.00 0.00 C ATOM 1573 O ALA B 623 2.080 4.171 6.972 1.00 0.00 O ATOM 1574 CB ALA B 623 2.340 7.444 6.722 1.00 0.00 C ATOM 0 H ALA B 623 1.373 7.986 8.919 1.00 0.00 H new ATOM 0 HA ALA B 623 0.607 6.214 6.947 1.00 0.00 H new ATOM 0 HB1 ALA B 623 2.628 7.007 5.766 1.00 0.00 H new ATOM 0 HB2 ALA B 623 1.751 8.344 6.547 1.00 0.00 H new ATOM 0 HB3 ALA B 623 3.236 7.701 7.288 1.00 0.00 H new ATOM 1580 N GLY B 624 3.186 5.131 8.679 1.00 0.00 N ATOM 1581 CA GLY B 624 3.981 3.947 8.945 1.00 0.00 C ATOM 1582 C GLY B 624 3.130 2.705 9.119 1.00 0.00 C ATOM 1583 O GLY B 624 3.522 1.611 8.707 1.00 0.00 O ATOM 0 H GLY B 624 3.377 5.922 9.294 1.00 0.00 H new ATOM 0 HA2 GLY B 624 4.682 3.792 8.125 1.00 0.00 H new ATOM 0 HA3 GLY B 624 4.574 4.106 9.845 1.00 0.00 H new ATOM 1587 N THR B 625 1.962 2.869 9.732 1.00 0.00 N ATOM 1588 CA THR B 625 1.054 1.753 9.961 1.00 0.00 C ATOM 1589 C THR B 625 0.700 1.054 8.653 1.00 0.00 C ATOM 1590 O THR B 625 0.621 -0.173 8.595 1.00 0.00 O ATOM 1591 CB THR B 625 -0.241 2.215 10.652 1.00 0.00 C ATOM 1592 OG1 THR B 625 0.069 2.909 11.865 1.00 0.00 O ATOM 1593 CG2 THR B 625 -1.146 1.030 10.956 1.00 0.00 C ATOM 0 H THR B 625 1.623 3.766 10.079 1.00 0.00 H new ATOM 0 HA THR B 625 1.574 1.052 10.614 1.00 0.00 H new ATOM 0 HB THR B 625 -0.766 2.888 9.974 1.00 0.00 H new ATOM 0 HG1 THR B 625 -0.761 3.200 12.296 1.00 0.00 H new ATOM 0 HG21 THR B 625 -2.055 1.382 11.444 1.00 0.00 H new ATOM 0 HG22 THR B 625 -1.406 0.523 10.027 1.00 0.00 H new ATOM 0 HG23 THR B 625 -0.626 0.335 11.615 1.00 0.00 H new ATOM 1601 N LEU B 626 0.487 1.844 7.606 1.00 0.00 N ATOM 1602 CA LEU B 626 0.141 1.301 6.297 1.00 0.00 C ATOM 1603 C LEU B 626 1.310 0.523 5.703 1.00 0.00 C ATOM 1604 O LEU B 626 1.185 -0.661 5.391 1.00 0.00 O ATOM 1605 CB LEU B 626 -0.270 2.428 5.347 1.00 0.00 C ATOM 1606 CG LEU B 626 -1.267 3.446 5.906 1.00 0.00 C ATOM 1607 CD1 LEU B 626 -1.181 4.754 5.136 1.00 0.00 C ATOM 1608 CD2 LEU B 626 -2.681 2.888 5.858 1.00 0.00 C ATOM 0 H LEU B 626 0.548 2.862 7.638 1.00 0.00 H new ATOM 0 HA LEU B 626 -0.698 0.618 6.426 1.00 0.00 H new ATOM 0 HB2 LEU B 626 0.629 2.961 5.038 1.00 0.00 H new ATOM 0 HB3 LEU B 626 -0.701 1.982 4.450 1.00 0.00 H new ATOM 0 HG LEU B 626 -1.011 3.644 6.947 1.00 0.00 H new ATOM 0 HD11 LEU B 626 -1.897 5.466 5.547 1.00 0.00 H new ATOM 0 HD12 LEU B 626 -0.174 5.161 5.222 1.00 0.00 H new ATOM 0 HD13 LEU B 626 -1.411 4.574 4.086 1.00 0.00 H new ATOM 0 HD21 LEU B 626 -3.377 3.625 6.259 1.00 0.00 H new ATOM 0 HD22 LEU B 626 -2.948 2.661 4.826 1.00 0.00 H new ATOM 0 HD23 LEU B 626 -2.733 1.977 6.455 1.00 0.00 H new ATOM 1619 N GLN B 627 2.447 1.196 5.553 1.00 0.00 N ATOM 1620 CA GLN B 627 3.639 0.566 4.999 1.00 0.00 C ATOM 1621 C GLN B 627 3.974 -0.721 5.747 1.00 0.00 C ATOM 1622 O GLN B 627 4.441 -1.692 5.152 1.00 0.00 O ATOM 1623 CB GLN B 627 4.826 1.528 5.060 1.00 0.00 C ATOM 1624 CG GLN B 627 5.835 1.324 3.941 1.00 0.00 C ATOM 1625 CD GLN B 627 7.003 0.455 4.359 1.00 0.00 C ATOM 1626 OE1 GLN B 627 6.819 -0.648 4.872 1.00 0.00 O ATOM 1627 NE2 GLN B 627 8.217 0.949 4.141 1.00 0.00 N ATOM 0 H GLN B 627 2.567 2.176 5.807 1.00 0.00 H new ATOM 0 HA GLN B 627 3.435 0.317 3.958 1.00 0.00 H new ATOM 0 HB2 GLN B 627 4.455 2.552 5.021 1.00 0.00 H new ATOM 0 HB3 GLN B 627 5.331 1.408 6.019 1.00 0.00 H new ATOM 0 HG2 GLN B 627 5.336 0.868 3.086 1.00 0.00 H new ATOM 0 HG3 GLN B 627 6.208 2.294 3.612 1.00 0.00 H new ATOM 0 HE21 GLN B 627 8.324 1.869 3.713 1.00 0.00 H new ATOM 0 HE22 GLN B 627 9.042 0.409 4.402 1.00 0.00 H new ATOM 1634 N SER B 628 3.730 -0.720 7.053 1.00 0.00 N ATOM 1635 CA SER B 628 4.009 -1.885 7.884 1.00 0.00 C ATOM 1636 C SER B 628 2.956 -2.968 7.673 1.00 0.00 C ATOM 1637 O SER B 628 3.263 -4.160 7.673 1.00 0.00 O ATOM 1638 CB SER B 628 4.058 -1.486 9.361 1.00 0.00 C ATOM 1639 OG SER B 628 4.274 -2.617 10.187 1.00 0.00 O ATOM 0 H SER B 628 3.339 0.075 7.559 1.00 0.00 H new ATOM 0 HA SER B 628 4.980 -2.284 7.591 1.00 0.00 H new ATOM 0 HB2 SER B 628 4.855 -0.759 9.518 1.00 0.00 H new ATOM 0 HB3 SER B 628 3.123 -1.000 9.641 1.00 0.00 H new ATOM 0 HG SER B 628 4.303 -2.336 11.125 1.00 0.00 H new ATOM 1644 N LEU B 629 1.709 -2.544 7.492 1.00 0.00 N ATOM 1645 CA LEU B 629 0.607 -3.476 7.280 1.00 0.00 C ATOM 1646 C LEU B 629 0.729 -4.162 5.924 1.00 0.00 C ATOM 1647 O LEU B 629 0.524 -5.370 5.807 1.00 0.00 O ATOM 1648 CB LEU B 629 -0.732 -2.743 7.376 1.00 0.00 C ATOM 1649 CG LEU B 629 -1.961 -3.619 7.618 1.00 0.00 C ATOM 1650 CD1 LEU B 629 -3.133 -2.776 8.098 1.00 0.00 C ATOM 1651 CD2 LEU B 629 -2.333 -4.379 6.353 1.00 0.00 C ATOM 0 H LEU B 629 1.437 -1.561 7.488 1.00 0.00 H new ATOM 0 HA LEU B 629 0.653 -4.239 8.058 1.00 0.00 H new ATOM 0 HB2 LEU B 629 -0.667 -2.013 8.183 1.00 0.00 H new ATOM 0 HB3 LEU B 629 -0.885 -2.185 6.452 1.00 0.00 H new ATOM 0 HG LEU B 629 -1.718 -4.343 8.396 1.00 0.00 H new ATOM 0 HD11 LEU B 629 -3.998 -3.417 8.265 1.00 0.00 H new ATOM 0 HD12 LEU B 629 -2.865 -2.278 9.030 1.00 0.00 H new ATOM 0 HD13 LEU B 629 -3.376 -2.028 7.344 1.00 0.00 H new ATOM 0 HD21 LEU B 629 -3.210 -4.997 6.545 1.00 0.00 H new ATOM 0 HD22 LEU B 629 -2.556 -3.671 5.555 1.00 0.00 H new ATOM 0 HD23 LEU B 629 -1.500 -5.014 6.052 1.00 0.00 H new ATOM 1662 N GLY B 630 1.065 -3.383 4.900 1.00 0.00 N ATOM 1663 CA GLY B 630 1.210 -3.935 3.565 1.00 0.00 C ATOM 1664 C GLY B 630 2.138 -5.132 3.530 1.00 0.00 C ATOM 1665 O GLY B 630 1.829 -6.147 2.907 1.00 0.00 O ATOM 0 H GLY B 630 1.239 -2.380 4.971 1.00 0.00 H new ATOM 0 HA2 GLY B 630 0.230 -4.228 3.188 1.00 0.00 H new ATOM 0 HA3 GLY B 630 1.592 -3.164 2.896 1.00 0.00 H new ATOM 1669 N ALA B 631 3.281 -5.014 4.199 1.00 0.00 N ATOM 1670 CA ALA B 631 4.256 -6.096 4.242 1.00 0.00 C ATOM 1671 C ALA B 631 3.613 -7.397 4.708 1.00 0.00 C ATOM 1672 O ALA B 631 3.931 -8.473 4.202 1.00 0.00 O ATOM 1673 CB ALA B 631 5.417 -5.723 5.153 1.00 0.00 C ATOM 0 H ALA B 631 3.554 -4.180 4.718 1.00 0.00 H new ATOM 0 HA ALA B 631 4.635 -6.251 3.232 1.00 0.00 H new ATOM 0 HB1 ALA B 631 6.138 -6.540 5.176 1.00 0.00 H new ATOM 0 HB2 ALA B 631 5.901 -4.822 4.775 1.00 0.00 H new ATOM 0 HB3 ALA B 631 5.044 -5.539 6.161 1.00 0.00 H new ATOM 1679 N GLU B 632 2.707 -7.292 5.674 1.00 0.00 N ATOM 1680 CA GLU B 632 2.021 -8.462 6.209 1.00 0.00 C ATOM 1681 C GLU B 632 1.324 -9.238 5.096 1.00 0.00 C ATOM 1682 O GLU B 632 1.392 -10.467 5.045 1.00 0.00 O ATOM 1683 CB GLU B 632 1.000 -8.043 7.269 1.00 0.00 C ATOM 1684 CG GLU B 632 1.606 -7.261 8.422 1.00 0.00 C ATOM 1685 CD GLU B 632 2.789 -7.972 9.050 1.00 0.00 C ATOM 1686 OE1 GLU B 632 2.763 -9.218 9.122 1.00 0.00 O ATOM 1687 OE2 GLU B 632 3.741 -7.282 9.470 1.00 0.00 O ATOM 0 H GLU B 632 2.431 -6.409 6.102 1.00 0.00 H new ATOM 0 HA GLU B 632 2.767 -9.110 6.670 1.00 0.00 H new ATOM 0 HB2 GLU B 632 0.227 -7.437 6.797 1.00 0.00 H new ATOM 0 HB3 GLU B 632 0.511 -8.934 7.663 1.00 0.00 H new ATOM 0 HG2 GLU B 632 1.923 -6.281 8.065 1.00 0.00 H new ATOM 0 HG3 GLU B 632 0.843 -7.092 9.182 1.00 0.00 H new ATOM 1692 N ILE B 633 0.652 -8.514 4.206 1.00 0.00 N ATOM 1693 CA ILE B 633 -0.056 -9.135 3.095 1.00 0.00 C ATOM 1694 C ILE B 633 0.918 -9.643 2.037 1.00 0.00 C ATOM 1695 O ILE B 633 0.663 -10.649 1.375 1.00 0.00 O ATOM 1696 CB ILE B 633 -1.043 -8.152 2.437 1.00 0.00 C ATOM 1697 CG1 ILE B 633 -2.059 -7.651 3.466 1.00 0.00 C ATOM 1698 CG2 ILE B 633 -1.751 -8.816 1.266 1.00 0.00 C ATOM 1699 CD1 ILE B 633 -2.841 -6.442 3.002 1.00 0.00 C ATOM 0 H ILE B 633 0.584 -7.497 4.234 1.00 0.00 H new ATOM 0 HA ILE B 633 -0.613 -9.977 3.507 1.00 0.00 H new ATOM 0 HB ILE B 633 -0.483 -7.296 2.060 1.00 0.00 H new ATOM 0 HG12 ILE B 633 -2.755 -8.457 3.700 1.00 0.00 H new ATOM 0 HG13 ILE B 633 -1.537 -7.403 4.390 1.00 0.00 H new ATOM 0 HG21 ILE B 633 -2.445 -8.109 0.812 1.00 0.00 H new ATOM 0 HG22 ILE B 633 -1.015 -9.128 0.525 1.00 0.00 H new ATOM 0 HG23 ILE B 633 -2.302 -9.687 1.620 1.00 0.00 H new ATOM 0 HD11 ILE B 633 -3.542 -6.141 3.781 1.00 0.00 H new ATOM 0 HD12 ILE B 633 -2.154 -5.621 2.796 1.00 0.00 H new ATOM 0 HD13 ILE B 633 -3.391 -6.691 2.095 1.00 0.00 H new ATOM 1710 N ALA B 634 2.037 -8.941 1.884 1.00 0.00 N ATOM 1711 CA ALA B 634 3.052 -9.323 0.910 1.00 0.00 C ATOM 1712 C ALA B 634 3.750 -10.614 1.324 1.00 0.00 C ATOM 1713 O ALA B 634 4.032 -11.474 0.489 1.00 0.00 O ATOM 1714 CB ALA B 634 4.066 -8.203 0.738 1.00 0.00 C ATOM 0 H ALA B 634 2.263 -8.105 2.422 1.00 0.00 H new ATOM 0 HA ALA B 634 2.557 -9.499 -0.045 1.00 0.00 H new ATOM 0 HB1 ALA B 634 4.818 -8.502 0.008 1.00 0.00 H new ATOM 0 HB2 ALA B 634 3.559 -7.303 0.389 1.00 0.00 H new ATOM 0 HB3 ALA B 634 4.549 -8.000 1.694 1.00 0.00 H new ATOM 1720 N VAL B 635 4.029 -10.742 2.617 1.00 0.00 N ATOM 1721 CA VAL B 635 4.696 -11.928 3.141 1.00 0.00 C ATOM 1722 C VAL B 635 3.724 -13.097 3.259 1.00 0.00 C ATOM 1723 O VAL B 635 4.114 -14.256 3.120 1.00 0.00 O ATOM 1724 CB VAL B 635 5.324 -11.656 4.521 1.00 0.00 C ATOM 1725 CG1 VAL B 635 4.243 -11.375 5.553 1.00 0.00 C ATOM 1726 CG2 VAL B 635 6.192 -12.828 4.951 1.00 0.00 C ATOM 0 H VAL B 635 3.804 -10.039 3.321 1.00 0.00 H new ATOM 0 HA VAL B 635 5.486 -12.185 2.435 1.00 0.00 H new ATOM 0 HB VAL B 635 5.958 -10.773 4.445 1.00 0.00 H new ATOM 0 HG11 VAL B 635 4.705 -11.185 6.522 1.00 0.00 H new ATOM 0 HG12 VAL B 635 3.667 -10.501 5.248 1.00 0.00 H new ATOM 0 HG13 VAL B 635 3.580 -12.237 5.630 1.00 0.00 H new ATOM 0 HG21 VAL B 635 6.628 -12.619 5.928 1.00 0.00 H new ATOM 0 HG22 VAL B 635 5.582 -13.730 5.011 1.00 0.00 H new ATOM 0 HG23 VAL B 635 6.989 -12.977 4.223 1.00 0.00 H new ATOM 1736 N GLU B 636 2.459 -12.784 3.517 1.00 0.00 N ATOM 1737 CA GLU B 636 1.431 -13.810 3.655 1.00 0.00 C ATOM 1738 C GLU B 636 1.291 -14.616 2.365 1.00 0.00 C ATOM 1739 O GLU B 636 1.354 -15.845 2.381 1.00 0.00 O ATOM 1740 CB GLU B 636 0.088 -13.173 4.019 1.00 0.00 C ATOM 1741 CG GLU B 636 -0.348 -13.449 5.448 1.00 0.00 C ATOM 1742 CD GLU B 636 -0.940 -14.834 5.621 1.00 0.00 C ATOM 1743 OE1 GLU B 636 -1.684 -15.277 4.721 1.00 0.00 O ATOM 1744 OE2 GLU B 636 -0.659 -15.476 6.654 1.00 0.00 O ATOM 0 H GLU B 636 2.121 -11.829 3.635 1.00 0.00 H new ATOM 0 HA GLU B 636 1.733 -14.486 4.455 1.00 0.00 H new ATOM 0 HB2 GLU B 636 0.154 -12.095 3.870 1.00 0.00 H new ATOM 0 HB3 GLU B 636 -0.677 -13.543 3.337 1.00 0.00 H new ATOM 0 HG2 GLU B 636 0.509 -13.339 6.113 1.00 0.00 H new ATOM 0 HG3 GLU B 636 -1.084 -12.703 5.750 1.00 0.00 H new ATOM 1749 N GLN B 637 1.101 -13.914 1.254 1.00 0.00 N ATOM 1750 CA GLN B 637 0.951 -14.563 -0.043 1.00 0.00 C ATOM 1751 C GLN B 637 2.236 -15.281 -0.445 1.00 0.00 C ATOM 1752 O GLN B 637 2.200 -16.284 -1.155 1.00 0.00 O ATOM 1753 CB GLN B 637 0.571 -13.536 -1.111 1.00 0.00 C ATOM 1754 CG GLN B 637 1.725 -12.641 -1.532 1.00 0.00 C ATOM 1755 CD GLN B 637 2.411 -13.129 -2.794 1.00 0.00 C ATOM 1756 OE1 GLN B 637 1.756 -13.446 -3.787 1.00 0.00 O ATOM 1757 NE2 GLN B 637 3.737 -13.191 -2.761 1.00 0.00 N ATOM 0 H GLN B 637 1.047 -12.896 1.225 1.00 0.00 H new ATOM 0 HA GLN B 637 0.154 -15.302 0.040 1.00 0.00 H new ATOM 0 HB2 GLN B 637 0.190 -14.060 -1.988 1.00 0.00 H new ATOM 0 HB3 GLN B 637 -0.241 -12.914 -0.733 1.00 0.00 H new ATOM 0 HG2 GLN B 637 1.355 -11.628 -1.692 1.00 0.00 H new ATOM 0 HG3 GLN B 637 2.454 -12.590 -0.723 1.00 0.00 H new ATOM 0 HE21 GLN B 637 4.239 -12.918 -1.916 1.00 0.00 H new ATOM 0 HE22 GLN B 637 4.253 -13.511 -3.580 1.00 0.00 H new ATOM 1764 N ALA B 638 3.367 -14.758 0.015 1.00 0.00 N ATOM 1765 CA ALA B 638 4.662 -15.350 -0.295 1.00 0.00 C ATOM 1766 C ALA B 638 4.748 -16.783 0.218 1.00 0.00 C ATOM 1767 O ALA B 638 5.519 -17.592 -0.298 1.00 0.00 O ATOM 1768 CB ALA B 638 5.783 -14.508 0.297 1.00 0.00 C ATOM 0 H ALA B 638 3.413 -13.926 0.603 1.00 0.00 H new ATOM 0 HA ALA B 638 4.773 -15.373 -1.379 1.00 0.00 H new ATOM 0 HB1 ALA B 638 6.745 -14.962 0.058 1.00 0.00 H new ATOM 0 HB2 ALA B 638 5.742 -13.502 -0.121 1.00 0.00 H new ATOM 0 HB3 ALA B 638 5.666 -14.456 1.379 1.00 0.00 H new ATOM 1774 N ALA B 639 3.953 -17.091 1.237 1.00 0.00 N ATOM 1775 CA ALA B 639 3.939 -18.427 1.819 1.00 0.00 C ATOM 1776 C ALA B 639 3.049 -19.368 1.013 1.00 0.00 C ATOM 1777 O ALA B 639 3.236 -20.585 1.034 1.00 0.00 O ATOM 1778 CB ALA B 639 3.472 -18.367 3.267 1.00 0.00 C ATOM 0 H ALA B 639 3.310 -16.433 1.677 1.00 0.00 H new ATOM 0 HA ALA B 639 4.956 -18.819 1.792 1.00 0.00 H new ATOM 0 HB1 ALA B 639 3.466 -19.372 3.689 1.00 0.00 H new ATOM 0 HB2 ALA B 639 4.149 -17.736 3.842 1.00 0.00 H new ATOM 0 HB3 ALA B 639 2.465 -17.951 3.308 1.00 0.00 H new ATOM 1784 N LEU B 640 2.082 -18.796 0.304 1.00 0.00 N ATOM 1785 CA LEU B 640 1.162 -19.584 -0.510 1.00 0.00 C ATOM 1786 C LEU B 640 1.487 -19.437 -1.994 1.00 0.00 C ATOM 1787 O LEU B 640 0.601 -19.532 -2.844 1.00 0.00 O ATOM 1788 CB LEU B 640 -0.281 -19.153 -0.246 1.00 0.00 C ATOM 1789 CG LEU B 640 -0.633 -18.841 1.209 1.00 0.00 C ATOM 1790 CD1 LEU B 640 -1.984 -18.149 1.294 1.00 0.00 C ATOM 1791 CD2 LEU B 640 -0.629 -20.113 2.043 1.00 0.00 C ATOM 0 H LEU B 640 1.914 -17.790 0.276 1.00 0.00 H new ATOM 0 HA LEU B 640 1.277 -20.632 -0.234 1.00 0.00 H new ATOM 0 HB2 LEU B 640 -0.491 -18.268 -0.847 1.00 0.00 H new ATOM 0 HB3 LEU B 640 -0.945 -19.942 -0.598 1.00 0.00 H new ATOM 0 HG LEU B 640 0.123 -18.166 1.610 1.00 0.00 H new ATOM 0 HD11 LEU B 640 -2.218 -17.935 2.337 1.00 0.00 H new ATOM 0 HD12 LEU B 640 -1.951 -17.217 0.730 1.00 0.00 H new ATOM 0 HD13 LEU B 640 -2.753 -18.799 0.876 1.00 0.00 H new ATOM 0 HD21 LEU B 640 -0.882 -19.872 3.076 1.00 0.00 H new ATOM 0 HD22 LEU B 640 -1.364 -20.812 1.644 1.00 0.00 H new ATOM 0 HD23 LEU B 640 0.361 -20.568 2.008 1.00 0.00 H new ATOM 1802 N GLN B 641 2.759 -19.209 -2.296 1.00 0.00 N ATOM 1803 CA GLN B 641 3.200 -19.051 -3.678 1.00 0.00 C ATOM 1804 C GLN B 641 2.808 -20.264 -4.515 1.00 0.00 C ATOM 1805 O GLN B 641 2.264 -20.124 -5.611 1.00 0.00 O ATOM 1806 CB GLN B 641 4.715 -18.847 -3.732 1.00 0.00 C ATOM 1807 CG GLN B 641 5.169 -17.507 -3.175 1.00 0.00 C ATOM 1808 CD GLN B 641 5.109 -16.396 -4.204 1.00 0.00 C ATOM 1809 OE1 GLN B 641 6.095 -16.111 -4.883 1.00 0.00 O ATOM 1810 NE2 GLN B 641 3.949 -15.761 -4.324 1.00 0.00 N ATOM 0 H GLN B 641 3.504 -19.129 -1.604 1.00 0.00 H new ATOM 0 HA GLN B 641 2.708 -18.171 -4.092 1.00 0.00 H new ATOM 0 HB2 GLN B 641 5.201 -19.647 -3.173 1.00 0.00 H new ATOM 0 HB3 GLN B 641 5.048 -18.933 -4.766 1.00 0.00 H new ATOM 0 HG2 GLN B 641 4.543 -17.242 -2.323 1.00 0.00 H new ATOM 0 HG3 GLN B 641 6.190 -17.599 -2.805 1.00 0.00 H new ATOM 0 HE21 GLN B 641 3.157 -16.031 -3.740 1.00 0.00 H new ATOM 0 HE22 GLN B 641 3.850 -15.004 -5.000 1.00 0.00 H new ATOM 1817 N SER B 642 3.089 -21.454 -3.992 1.00 0.00 N ATOM 1818 CA SER B 642 2.769 -22.691 -4.695 1.00 0.00 C ATOM 1819 C SER B 642 1.289 -22.742 -5.060 1.00 0.00 C ATOM 1820 O SER B 642 0.899 -23.395 -6.028 1.00 0.00 O ATOM 1821 CB SER B 642 3.135 -23.900 -3.831 1.00 0.00 C ATOM 1822 OG SER B 642 3.646 -24.957 -4.625 1.00 0.00 O ATOM 0 H SER B 642 3.537 -21.587 -3.085 1.00 0.00 H new ATOM 0 HA SER B 642 3.352 -22.719 -5.615 1.00 0.00 H new ATOM 0 HB2 SER B 642 3.876 -23.608 -3.087 1.00 0.00 H new ATOM 0 HB3 SER B 642 2.255 -24.242 -3.287 1.00 0.00 H new ATOM 0 HG SER B 642 3.874 -25.717 -4.050 1.00 0.00 H new ATOM 1827 N ALA B 643 0.469 -22.047 -4.280 1.00 0.00 N ATOM 1828 CA ALA B 643 -0.969 -22.010 -4.522 1.00 0.00 C ATOM 1829 C ALA B 643 -1.301 -21.130 -5.721 1.00 0.00 C ATOM 1830 O ALA B 643 -2.277 -21.374 -6.430 1.00 0.00 O ATOM 1831 CB ALA B 643 -1.700 -21.516 -3.282 1.00 0.00 C ATOM 0 H ALA B 643 0.775 -21.501 -3.474 1.00 0.00 H new ATOM 0 HA ALA B 643 -1.302 -23.024 -4.746 1.00 0.00 H new ATOM 0 HB1 ALA B 643 -2.772 -21.493 -3.477 1.00 0.00 H new ATOM 0 HB2 ALA B 643 -1.497 -22.188 -2.448 1.00 0.00 H new ATOM 0 HB3 ALA B 643 -1.355 -20.513 -3.032 1.00 0.00 H new ATOM 1837 N TRP B 644 -0.485 -20.106 -5.941 1.00 0.00 N ATOM 1838 CA TRP B 644 -0.693 -19.188 -7.056 1.00 0.00 C ATOM 1839 C TRP B 644 -0.810 -19.948 -8.372 1.00 0.00 C ATOM 1840 O TRP B 644 -0.215 -21.012 -8.539 1.00 0.00 O ATOM 1841 CB TRP B 644 0.454 -18.180 -7.135 1.00 0.00 C ATOM 1842 CG TRP B 644 0.104 -16.941 -7.902 1.00 0.00 C ATOM 1843 CD1 TRP B 644 0.141 -16.779 -9.258 1.00 0.00 C ATOM 1844 CD2 TRP B 644 -0.333 -15.690 -7.358 1.00 0.00 C ATOM 1845 NE1 TRP B 644 -0.247 -15.503 -9.590 1.00 0.00 N ATOM 1846 CE2 TRP B 644 -0.544 -14.816 -8.442 1.00 0.00 C ATOM 1847 CE3 TRP B 644 -0.568 -15.225 -6.062 1.00 0.00 C ATOM 1848 CZ2 TRP B 644 -0.977 -13.504 -8.267 1.00 0.00 C ATOM 1849 CZ3 TRP B 644 -0.998 -13.923 -5.889 1.00 0.00 C ATOM 1850 CH2 TRP B 644 -1.200 -13.075 -6.987 1.00 0.00 C ATOM 0 H TRP B 644 0.327 -19.890 -5.363 1.00 0.00 H new ATOM 0 HA TRP B 644 -1.626 -18.652 -6.883 1.00 0.00 H new ATOM 0 HB2 TRP B 644 0.753 -17.901 -6.125 1.00 0.00 H new ATOM 0 HB3 TRP B 644 1.316 -18.657 -7.602 1.00 0.00 H new ATOM 0 HD1 TRP B 644 0.432 -17.542 -9.965 1.00 0.00 H new ATOM 0 HE1 TRP B 644 -0.305 -15.128 -10.537 1.00 0.00 H new ATOM 0 HE3 TRP B 644 -0.416 -15.871 -5.210 1.00 0.00 H new ATOM 0 HZ2 TRP B 644 -1.131 -12.849 -9.111 1.00 0.00 H new ATOM 0 HZ3 TRP B 644 -1.181 -13.553 -4.891 1.00 0.00 H new ATOM 0 HH2 TRP B 644 -1.538 -12.063 -6.819 1.00 0.00 H new ATOM 1860 N GLN B 645 -1.580 -19.395 -9.304 1.00 0.00 N ATOM 1861 CA GLN B 645 -1.773 -20.023 -10.605 1.00 0.00 C ATOM 1862 C GLN B 645 -0.769 -19.490 -11.621 1.00 0.00 C ATOM 1863 O GLN B 645 0.141 -20.204 -12.043 1.00 0.00 O ATOM 1864 CB GLN B 645 -3.199 -19.780 -11.105 1.00 0.00 C ATOM 1865 CG GLN B 645 -4.271 -20.233 -10.128 1.00 0.00 C ATOM 1866 CD GLN B 645 -4.549 -21.721 -10.212 1.00 0.00 C ATOM 1867 OE1 GLN B 645 -5.203 -22.190 -11.143 1.00 0.00 O ATOM 1868 NE2 GLN B 645 -4.050 -22.473 -9.237 1.00 0.00 N ATOM 0 H GLN B 645 -2.080 -18.514 -9.182 1.00 0.00 H new ATOM 0 HA GLN B 645 -1.612 -21.095 -10.490 1.00 0.00 H new ATOM 0 HB2 GLN B 645 -3.328 -18.717 -11.306 1.00 0.00 H new ATOM 0 HB3 GLN B 645 -3.337 -20.303 -12.051 1.00 0.00 H new ATOM 0 HG2 GLN B 645 -3.961 -19.982 -9.113 1.00 0.00 H new ATOM 0 HG3 GLN B 645 -5.192 -19.684 -10.325 1.00 0.00 H new ATOM 0 HE21 GLN B 645 -3.513 -22.042 -8.484 1.00 0.00 H new ATOM 0 HE22 GLN B 645 -4.203 -23.481 -9.241 1.00 0.00 H new ATOM 1875 N GLY B 646 -0.940 -18.231 -12.012 1.00 0.00 N ATOM 1876 CA GLY B 646 -0.040 -17.624 -12.976 1.00 0.00 C ATOM 1877 C GLY B 646 -0.576 -17.697 -14.393 1.00 0.00 C ATOM 1878 O GLY B 646 0.193 -17.801 -15.349 1.00 0.00 O ATOM 0 H GLY B 646 -1.686 -17.620 -11.679 1.00 0.00 H new ATOM 0 HA2 GLY B 646 0.127 -16.581 -12.707 1.00 0.00 H new ATOM 0 HA3 GLY B 646 0.928 -18.124 -12.930 1.00 0.00 H new ATOM 1882 N ASP B 647 -1.896 -17.642 -14.528 1.00 0.00 N ATOM 1883 CA ASP B 647 -2.533 -17.702 -15.839 1.00 0.00 C ATOM 1884 C ASP B 647 -3.881 -16.990 -15.820 1.00 0.00 C ATOM 1885 O ASP B 647 -4.773 -17.303 -16.610 1.00 0.00 O ATOM 1886 CB ASP B 647 -2.717 -19.157 -16.274 1.00 0.00 C ATOM 1887 CG ASP B 647 -2.189 -19.415 -17.671 1.00 0.00 C ATOM 1888 OD1 ASP B 647 -1.067 -18.957 -17.975 1.00 0.00 O ATOM 1889 OD2 ASP B 647 -2.897 -20.075 -18.460 1.00 0.00 O ATOM 0 H ASP B 647 -2.546 -17.556 -13.747 1.00 0.00 H new ATOM 0 HA ASP B 647 -1.885 -17.196 -16.555 1.00 0.00 H new ATOM 0 HB2 ASP B 647 -2.205 -19.811 -15.569 1.00 0.00 H new ATOM 0 HB3 ASP B 647 -3.776 -19.413 -16.236 1.00 0.00 H new ATOM 1893 N THR B 648 -4.025 -16.028 -14.913 1.00 0.00 N ATOM 1894 CA THR B 648 -5.265 -15.272 -14.791 1.00 0.00 C ATOM 1895 C THR B 648 -5.028 -13.784 -15.025 1.00 0.00 C ATOM 1896 O THR B 648 -5.905 -13.077 -15.518 1.00 0.00 O ATOM 1897 CB THR B 648 -5.906 -15.466 -13.403 1.00 0.00 C ATOM 1898 OG1 THR B 648 -4.997 -15.043 -12.381 1.00 0.00 O ATOM 1899 CG2 THR B 648 -6.286 -16.922 -13.181 1.00 0.00 C ATOM 0 H THR B 648 -3.298 -15.754 -14.252 1.00 0.00 H new ATOM 0 HA THR B 648 -5.944 -15.653 -15.554 1.00 0.00 H new ATOM 0 HB THR B 648 -6.811 -14.860 -13.357 1.00 0.00 H new ATOM 0 HG1 THR B 648 -5.493 -14.868 -11.554 1.00 0.00 H new ATOM 0 HG21 THR B 648 -6.736 -17.034 -12.195 1.00 0.00 H new ATOM 0 HG22 THR B 648 -7.000 -17.232 -13.944 1.00 0.00 H new ATOM 0 HG23 THR B 648 -5.394 -17.545 -13.245 1.00 0.00 H new ATOM 1907 N GLY B 649 -3.835 -13.317 -14.670 1.00 0.00 N ATOM 1908 CA GLY B 649 -3.504 -11.915 -14.851 1.00 0.00 C ATOM 1909 C GLY B 649 -2.145 -11.563 -14.279 1.00 0.00 C ATOM 1910 O GLY B 649 -1.199 -11.306 -15.024 1.00 0.00 O ATOM 0 H GLY B 649 -3.092 -13.884 -14.261 1.00 0.00 H new ATOM 0 HA2 GLY B 649 -3.521 -11.675 -15.914 1.00 0.00 H new ATOM 0 HA3 GLY B 649 -4.267 -11.300 -14.373 1.00 0.00 H new ATOM 1914 N ILE B 650 -2.048 -11.547 -12.955 1.00 0.00 N ATOM 1915 CA ILE B 650 -0.795 -11.222 -12.284 1.00 0.00 C ATOM 1916 C ILE B 650 -0.105 -12.480 -11.768 1.00 0.00 C ATOM 1917 O ILE B 650 -0.759 -13.413 -11.301 1.00 0.00 O ATOM 1918 CB ILE B 650 -1.020 -10.254 -11.109 1.00 0.00 C ATOM 1919 CG1 ILE B 650 -1.710 -8.977 -11.595 1.00 0.00 C ATOM 1920 CG2 ILE B 650 0.304 -9.923 -10.433 1.00 0.00 C ATOM 1921 CD1 ILE B 650 -1.973 -7.975 -10.492 1.00 0.00 C ATOM 0 H ILE B 650 -2.822 -11.755 -12.324 1.00 0.00 H new ATOM 0 HA ILE B 650 -0.157 -10.739 -13.024 1.00 0.00 H new ATOM 0 HB ILE B 650 -1.668 -10.739 -10.378 1.00 0.00 H new ATOM 0 HG12 ILE B 650 -1.092 -8.508 -12.361 1.00 0.00 H new ATOM 0 HG13 ILE B 650 -2.656 -9.242 -12.067 1.00 0.00 H new ATOM 0 HG21 ILE B 650 0.128 -9.237 -9.604 1.00 0.00 H new ATOM 0 HG22 ILE B 650 0.759 -10.839 -10.056 1.00 0.00 H new ATOM 0 HG23 ILE B 650 0.974 -9.455 -11.154 1.00 0.00 H new ATOM 0 HD11 ILE B 650 -2.464 -7.095 -10.909 1.00 0.00 H new ATOM 0 HD12 ILE B 650 -2.617 -8.426 -9.737 1.00 0.00 H new ATOM 0 HD13 ILE B 650 -1.028 -7.681 -10.035 1.00 0.00 H new ATOM 1932 N THR B 651 1.222 -12.499 -11.854 1.00 0.00 N ATOM 1933 CA THR B 651 2.001 -13.641 -11.395 1.00 0.00 C ATOM 1934 C THR B 651 2.593 -13.384 -10.014 1.00 0.00 C ATOM 1935 O THR B 651 2.469 -12.287 -9.469 1.00 0.00 O ATOM 1936 CB THR B 651 3.141 -13.974 -12.376 1.00 0.00 C ATOM 1937 OG1 THR B 651 2.848 -13.434 -13.669 1.00 0.00 O ATOM 1938 CG2 THR B 651 3.340 -15.478 -12.483 1.00 0.00 C ATOM 0 H THR B 651 1.779 -11.735 -12.238 1.00 0.00 H new ATOM 0 HA THR B 651 1.318 -14.489 -11.342 1.00 0.00 H new ATOM 0 HB THR B 651 4.060 -13.528 -11.996 1.00 0.00 H new ATOM 0 HG1 THR B 651 3.578 -13.649 -14.286 1.00 0.00 H new ATOM 0 HG21 THR B 651 4.150 -15.689 -13.181 1.00 0.00 H new ATOM 0 HG22 THR B 651 3.591 -15.882 -11.503 1.00 0.00 H new ATOM 0 HG23 THR B 651 2.421 -15.942 -12.842 1.00 0.00 H new ATOM 1946 N TYR B 652 3.238 -14.400 -9.454 1.00 0.00 N ATOM 1947 CA TYR B 652 3.848 -14.285 -8.134 1.00 0.00 C ATOM 1948 C TYR B 652 5.009 -13.294 -8.157 1.00 0.00 C ATOM 1949 O TYR B 652 5.206 -12.532 -7.210 1.00 0.00 O ATOM 1950 CB TYR B 652 4.339 -15.651 -7.654 1.00 0.00 C ATOM 1951 CG TYR B 652 5.416 -16.250 -8.530 1.00 0.00 C ATOM 1952 CD1 TYR B 652 5.089 -17.042 -9.624 1.00 0.00 C ATOM 1953 CD2 TYR B 652 6.761 -16.025 -8.266 1.00 0.00 C ATOM 1954 CE1 TYR B 652 6.068 -17.592 -10.427 1.00 0.00 C ATOM 1955 CE2 TYR B 652 7.749 -16.569 -9.064 1.00 0.00 C ATOM 1956 CZ TYR B 652 7.397 -17.353 -10.143 1.00 0.00 C ATOM 1957 OH TYR B 652 8.376 -17.897 -10.942 1.00 0.00 O ATOM 0 H TYR B 652 3.353 -15.313 -9.893 1.00 0.00 H new ATOM 0 HA TYR B 652 3.091 -13.916 -7.442 1.00 0.00 H new ATOM 0 HB2 TYR B 652 4.721 -15.554 -6.638 1.00 0.00 H new ATOM 0 HB3 TYR B 652 3.493 -16.337 -7.612 1.00 0.00 H new ATOM 0 HD1 TYR B 652 4.050 -17.231 -9.850 1.00 0.00 H new ATOM 0 HD2 TYR B 652 7.040 -15.413 -7.421 1.00 0.00 H new ATOM 0 HE1 TYR B 652 5.795 -18.206 -11.273 1.00 0.00 H new ATOM 0 HE2 TYR B 652 8.790 -16.382 -8.845 1.00 0.00 H new ATOM 0 HH TYR B 652 9.257 -17.632 -10.606 1.00 0.00 H new ATOM 1966 N GLN B 653 5.773 -13.312 -9.243 1.00 0.00 N ATOM 1967 CA GLN B 653 6.913 -12.415 -9.390 1.00 0.00 C ATOM 1968 C GLN B 653 6.453 -10.987 -9.663 1.00 0.00 C ATOM 1969 O GLN B 653 7.009 -10.031 -9.123 1.00 0.00 O ATOM 1970 CB GLN B 653 7.824 -12.895 -10.521 1.00 0.00 C ATOM 1971 CG GLN B 653 7.122 -12.993 -11.867 1.00 0.00 C ATOM 1972 CD GLN B 653 8.012 -13.575 -12.948 1.00 0.00 C ATOM 1973 OE1 GLN B 653 9.239 -13.508 -12.861 1.00 0.00 O ATOM 1974 NE2 GLN B 653 7.397 -14.149 -13.975 1.00 0.00 N ATOM 0 H GLN B 653 5.624 -13.938 -10.035 1.00 0.00 H new ATOM 0 HA GLN B 653 7.472 -12.423 -8.454 1.00 0.00 H new ATOM 0 HB2 GLN B 653 8.669 -12.213 -10.610 1.00 0.00 H new ATOM 0 HB3 GLN B 653 8.230 -13.872 -10.260 1.00 0.00 H new ATOM 0 HG2 GLN B 653 6.231 -13.612 -11.763 1.00 0.00 H new ATOM 0 HG3 GLN B 653 6.788 -12.001 -12.171 1.00 0.00 H new ATOM 0 HE21 GLN B 653 6.378 -14.182 -14.006 1.00 0.00 H new ATOM 0 HE22 GLN B 653 7.943 -14.557 -14.733 1.00 0.00 H new ATOM 1981 N ALA B 654 5.433 -10.850 -10.505 1.00 0.00 N ATOM 1982 CA ALA B 654 4.897 -9.539 -10.848 1.00 0.00 C ATOM 1983 C ALA B 654 4.163 -8.919 -9.664 1.00 0.00 C ATOM 1984 O ALA B 654 4.350 -7.744 -9.352 1.00 0.00 O ATOM 1985 CB ALA B 654 3.968 -9.647 -12.048 1.00 0.00 C ATOM 0 H ALA B 654 4.962 -11.631 -10.962 1.00 0.00 H new ATOM 0 HA ALA B 654 5.733 -8.888 -11.105 1.00 0.00 H new ATOM 0 HB1 ALA B 654 3.575 -8.661 -12.294 1.00 0.00 H new ATOM 0 HB2 ALA B 654 4.520 -10.040 -12.902 1.00 0.00 H new ATOM 0 HB3 ALA B 654 3.143 -10.318 -11.810 1.00 0.00 H new ATOM 1991 N TRP B 655 3.327 -9.717 -9.008 1.00 0.00 N ATOM 1992 CA TRP B 655 2.565 -9.245 -7.858 1.00 0.00 C ATOM 1993 C TRP B 655 3.493 -8.748 -6.756 1.00 0.00 C ATOM 1994 O TRP B 655 3.300 -7.660 -6.213 1.00 0.00 O ATOM 1995 CB TRP B 655 1.668 -10.362 -7.321 1.00 0.00 C ATOM 1996 CG TRP B 655 0.643 -9.881 -6.340 1.00 0.00 C ATOM 1997 CD1 TRP B 655 -0.675 -9.624 -6.590 1.00 0.00 C ATOM 1998 CD2 TRP B 655 0.852 -9.598 -4.952 1.00 0.00 C ATOM 1999 NE1 TRP B 655 -1.298 -9.198 -5.442 1.00 0.00 N ATOM 2000 CE2 TRP B 655 -0.383 -9.174 -4.422 1.00 0.00 C ATOM 2001 CE3 TRP B 655 1.961 -9.663 -4.105 1.00 0.00 C ATOM 2002 CZ2 TRP B 655 -0.536 -8.817 -3.086 1.00 0.00 C ATOM 2003 CZ3 TRP B 655 1.808 -9.308 -2.778 1.00 0.00 C ATOM 2004 CH2 TRP B 655 0.566 -8.890 -2.279 1.00 0.00 C ATOM 0 H TRP B 655 3.160 -10.693 -9.253 1.00 0.00 H new ATOM 0 HA TRP B 655 1.941 -8.413 -8.184 1.00 0.00 H new ATOM 0 HB2 TRP B 655 1.162 -10.845 -8.157 1.00 0.00 H new ATOM 0 HB3 TRP B 655 2.290 -11.120 -6.844 1.00 0.00 H new ATOM 0 HD1 TRP B 655 -1.157 -9.739 -7.550 1.00 0.00 H new ATOM 0 HE1 TRP B 655 -2.282 -8.941 -5.362 1.00 0.00 H new ATOM 0 HE3 TRP B 655 2.921 -9.985 -4.480 1.00 0.00 H new ATOM 0 HZ2 TRP B 655 -1.491 -8.494 -2.700 1.00 0.00 H new ATOM 0 HZ3 TRP B 655 2.659 -9.353 -2.115 1.00 0.00 H new ATOM 0 HH2 TRP B 655 0.478 -8.620 -1.237 1.00 0.00 H new ATOM 2014 N GLN B 656 4.500 -9.553 -6.429 1.00 0.00 N ATOM 2015 CA GLN B 656 5.458 -9.193 -5.390 1.00 0.00 C ATOM 2016 C GLN B 656 6.079 -7.829 -5.671 1.00 0.00 C ATOM 2017 O GLN B 656 6.493 -7.123 -4.751 1.00 0.00 O ATOM 2018 CB GLN B 656 6.555 -10.254 -5.289 1.00 0.00 C ATOM 2019 CG GLN B 656 6.152 -11.470 -4.468 1.00 0.00 C ATOM 2020 CD GLN B 656 6.858 -11.530 -3.129 1.00 0.00 C ATOM 2021 OE1 GLN B 656 6.548 -10.765 -2.215 1.00 0.00 O ATOM 2022 NE2 GLN B 656 7.815 -12.443 -3.004 1.00 0.00 N ATOM 0 H GLN B 656 4.673 -10.457 -6.868 1.00 0.00 H new ATOM 0 HA GLN B 656 4.924 -9.140 -4.441 1.00 0.00 H new ATOM 0 HB2 GLN B 656 6.829 -10.578 -6.293 1.00 0.00 H new ATOM 0 HB3 GLN B 656 7.444 -9.805 -4.846 1.00 0.00 H new ATOM 0 HG2 GLN B 656 5.074 -11.453 -4.306 1.00 0.00 H new ATOM 0 HG3 GLN B 656 6.375 -12.375 -5.033 1.00 0.00 H new ATOM 0 HE21 GLN B 656 8.040 -13.057 -3.787 1.00 0.00 H new ATOM 0 HE22 GLN B 656 8.325 -12.530 -2.125 1.00 0.00 H new ATOM 2029 N ALA B 657 6.140 -7.463 -6.947 1.00 0.00 N ATOM 2030 CA ALA B 657 6.709 -6.182 -7.348 1.00 0.00 C ATOM 2031 C ALA B 657 5.631 -5.109 -7.445 1.00 0.00 C ATOM 2032 O ALA B 657 5.907 -3.922 -7.273 1.00 0.00 O ATOM 2033 CB ALA B 657 7.438 -6.322 -8.676 1.00 0.00 C ATOM 0 H ALA B 657 5.802 -8.035 -7.721 1.00 0.00 H new ATOM 0 HA ALA B 657 7.423 -5.874 -6.584 1.00 0.00 H new ATOM 0 HB1 ALA B 657 7.858 -5.358 -8.964 1.00 0.00 H new ATOM 0 HB2 ALA B 657 8.241 -7.052 -8.575 1.00 0.00 H new ATOM 0 HB3 ALA B 657 6.738 -6.656 -9.442 1.00 0.00 H new ATOM 2039 N GLN B 658 4.402 -5.534 -7.722 1.00 0.00 N ATOM 2040 CA GLN B 658 3.282 -4.608 -7.843 1.00 0.00 C ATOM 2041 C GLN B 658 2.820 -4.129 -6.470 1.00 0.00 C ATOM 2042 O GLN B 658 2.710 -2.928 -6.225 1.00 0.00 O ATOM 2043 CB GLN B 658 2.120 -5.272 -8.582 1.00 0.00 C ATOM 2044 CG GLN B 658 2.113 -4.998 -10.077 1.00 0.00 C ATOM 2045 CD GLN B 658 0.935 -5.639 -10.783 1.00 0.00 C ATOM 2046 OE1 GLN B 658 -0.111 -5.015 -10.965 1.00 0.00 O ATOM 2047 NE2 GLN B 658 1.098 -6.895 -11.185 1.00 0.00 N ATOM 0 H GLN B 658 4.157 -6.513 -7.867 1.00 0.00 H new ATOM 0 HA GLN B 658 3.619 -3.743 -8.415 1.00 0.00 H new ATOM 0 HB2 GLN B 658 2.165 -6.349 -8.419 1.00 0.00 H new ATOM 0 HB3 GLN B 658 1.181 -4.923 -8.153 1.00 0.00 H new ATOM 0 HG2 GLN B 658 2.090 -3.921 -10.245 1.00 0.00 H new ATOM 0 HG3 GLN B 658 3.040 -5.369 -10.515 1.00 0.00 H new ATOM 0 HE21 GLN B 658 1.982 -7.375 -11.014 1.00 0.00 H new ATOM 0 HE22 GLN B 658 0.339 -7.379 -11.665 1.00 0.00 H new ATOM 2054 N TRP B 659 2.553 -5.077 -5.579 1.00 0.00 N ATOM 2055 CA TRP B 659 2.102 -4.752 -4.230 1.00 0.00 C ATOM 2056 C TRP B 659 3.040 -3.747 -3.570 1.00 0.00 C ATOM 2057 O TRP B 659 2.622 -2.658 -3.179 1.00 0.00 O ATOM 2058 CB TRP B 659 2.013 -6.020 -3.381 1.00 0.00 C ATOM 2059 CG TRP B 659 1.476 -5.777 -2.003 1.00 0.00 C ATOM 2060 CD1 TRP B 659 2.202 -5.604 -0.859 1.00 0.00 C ATOM 2061 CD2 TRP B 659 0.098 -5.678 -1.625 1.00 0.00 C ATOM 2062 NE1 TRP B 659 1.358 -5.406 0.207 1.00 0.00 N ATOM 2063 CE2 TRP B 659 0.063 -5.446 -0.236 1.00 0.00 C ATOM 2064 CE3 TRP B 659 -1.108 -5.762 -2.324 1.00 0.00 C ATOM 2065 CZ2 TRP B 659 -1.131 -5.298 0.464 1.00 0.00 C ATOM 2066 CZ3 TRP B 659 -2.293 -5.616 -1.629 1.00 0.00 C ATOM 2067 CH2 TRP B 659 -2.298 -5.386 -0.247 1.00 0.00 C ATOM 0 H TRP B 659 2.641 -6.076 -5.766 1.00 0.00 H new ATOM 0 HA TRP B 659 1.112 -4.302 -4.303 1.00 0.00 H new ATOM 0 HB2 TRP B 659 1.376 -6.744 -3.889 1.00 0.00 H new ATOM 0 HB3 TRP B 659 3.004 -6.467 -3.303 1.00 0.00 H new ATOM 0 HD1 TRP B 659 3.280 -5.620 -0.801 1.00 0.00 H new ATOM 0 HE1 TRP B 659 1.649 -5.254 1.173 1.00 0.00 H new ATOM 0 HE3 TRP B 659 -1.114 -5.938 -3.390 1.00 0.00 H new ATOM 0 HZ2 TRP B 659 -1.137 -5.120 1.529 1.00 0.00 H new ATOM 0 HZ3 TRP B 659 -3.231 -5.680 -2.160 1.00 0.00 H new ATOM 0 HH2 TRP B 659 -3.241 -5.276 0.268 1.00 0.00 H new ATOM 2077 N ASN B 660 4.310 -4.121 -3.450 1.00 0.00 N ATOM 2078 CA ASN B 660 5.307 -3.251 -2.837 1.00 0.00 C ATOM 2079 C ASN B 660 5.280 -1.862 -3.468 1.00 0.00 C ATOM 2080 O ASN B 660 5.081 -0.861 -2.780 1.00 0.00 O ATOM 2081 CB ASN B 660 6.703 -3.861 -2.979 1.00 0.00 C ATOM 2082 CG ASN B 660 7.436 -3.943 -1.655 1.00 0.00 C ATOM 2083 OD1 ASN B 660 7.022 -4.662 -0.746 1.00 0.00 O ATOM 2084 ND2 ASN B 660 8.533 -3.202 -1.540 1.00 0.00 N ATOM 0 H ASN B 660 4.672 -5.020 -3.769 1.00 0.00 H new ATOM 0 HA ASN B 660 5.066 -3.154 -1.778 1.00 0.00 H new ATOM 0 HB2 ASN B 660 6.618 -4.860 -3.406 1.00 0.00 H new ATOM 0 HB3 ASN B 660 7.288 -3.264 -3.678 1.00 0.00 H new ATOM 0 HD21 ASN B 660 9.068 -3.215 -0.672 1.00 0.00 H new ATOM 0 HD22 ASN B 660 8.840 -2.620 -2.320 1.00 0.00 H new ATOM 2090 N GLN B 661 5.481 -1.811 -4.781 1.00 0.00 N ATOM 2091 CA GLN B 661 5.481 -0.545 -5.504 1.00 0.00 C ATOM 2092 C GLN B 661 4.209 0.247 -5.215 1.00 0.00 C ATOM 2093 O GLN B 661 4.215 1.477 -5.231 1.00 0.00 O ATOM 2094 CB GLN B 661 5.610 -0.792 -7.008 1.00 0.00 C ATOM 2095 CG GLN B 661 6.999 -1.241 -7.434 1.00 0.00 C ATOM 2096 CD GLN B 661 7.806 -0.122 -8.063 1.00 0.00 C ATOM 2097 OE1 GLN B 661 7.696 0.141 -9.261 1.00 0.00 O ATOM 2098 NE2 GLN B 661 8.624 0.543 -7.256 1.00 0.00 N ATOM 0 H GLN B 661 5.646 -2.631 -5.365 1.00 0.00 H new ATOM 0 HA GLN B 661 6.337 0.038 -5.164 1.00 0.00 H new ATOM 0 HB2 GLN B 661 4.885 -1.549 -7.307 1.00 0.00 H new ATOM 0 HB3 GLN B 661 5.354 0.123 -7.541 1.00 0.00 H new ATOM 0 HG2 GLN B 661 7.534 -1.627 -6.566 1.00 0.00 H new ATOM 0 HG3 GLN B 661 6.909 -2.063 -8.144 1.00 0.00 H new ATOM 0 HE21 GLN B 661 8.683 0.291 -6.269 1.00 0.00 H new ATOM 0 HE22 GLN B 661 9.193 1.306 -7.623 1.00 0.00 H new ATOM 2105 N ALA B 662 3.121 -0.468 -4.950 1.00 0.00 N ATOM 2106 CA ALA B 662 1.843 0.167 -4.656 1.00 0.00 C ATOM 2107 C ALA B 662 1.880 0.877 -3.307 1.00 0.00 C ATOM 2108 O ALA B 662 1.586 2.067 -3.213 1.00 0.00 O ATOM 2109 CB ALA B 662 0.723 -0.863 -4.682 1.00 0.00 C ATOM 0 H ALA B 662 3.099 -1.488 -4.933 1.00 0.00 H new ATOM 0 HA ALA B 662 1.652 0.915 -5.426 1.00 0.00 H new ATOM 0 HB1 ALA B 662 -0.226 -0.374 -4.461 1.00 0.00 H new ATOM 0 HB2 ALA B 662 0.673 -1.322 -5.670 1.00 0.00 H new ATOM 0 HB3 ALA B 662 0.918 -1.632 -3.934 1.00 0.00 H new ATOM 2115 N MET B 663 2.243 0.137 -2.264 1.00 0.00 N ATOM 2116 CA MET B 663 2.319 0.696 -0.920 1.00 0.00 C ATOM 2117 C MET B 663 3.334 1.834 -0.862 1.00 0.00 C ATOM 2118 O MET B 663 3.191 2.765 -0.070 1.00 0.00 O ATOM 2119 CB MET B 663 2.697 -0.391 0.088 1.00 0.00 C ATOM 2120 CG MET B 663 1.875 -1.662 -0.053 1.00 0.00 C ATOM 2121 SD MET B 663 0.101 -1.357 0.058 1.00 0.00 S ATOM 2122 CE MET B 663 -0.021 -0.666 1.705 1.00 0.00 C ATOM 0 H MET B 663 2.489 -0.851 -2.324 1.00 0.00 H new ATOM 0 HA MET B 663 1.337 1.094 -0.663 1.00 0.00 H new ATOM 0 HB2 MET B 663 3.752 -0.635 -0.032 1.00 0.00 H new ATOM 0 HB3 MET B 663 2.574 0.002 1.097 1.00 0.00 H new ATOM 0 HG2 MET B 663 2.100 -2.131 -1.011 1.00 0.00 H new ATOM 0 HG3 MET B 663 2.168 -2.368 0.724 1.00 0.00 H new ATOM 0 HE1 MET B 663 -1.005 -0.215 1.839 1.00 0.00 H new ATOM 0 HE2 MET B 663 0.119 -1.456 2.442 1.00 0.00 H new ATOM 0 HE3 MET B 663 0.748 0.095 1.838 1.00 0.00 H new ATOM 2130 N GLU B 664 4.359 1.751 -1.704 1.00 0.00 N ATOM 2131 CA GLU B 664 5.398 2.774 -1.746 1.00 0.00 C ATOM 2132 C GLU B 664 4.808 4.133 -2.112 1.00 0.00 C ATOM 2133 O GLU B 664 4.966 5.108 -1.377 1.00 0.00 O ATOM 2134 CB GLU B 664 6.484 2.389 -2.753 1.00 0.00 C ATOM 2135 CG GLU B 664 7.639 3.373 -2.808 1.00 0.00 C ATOM 2136 CD GLU B 664 8.916 2.746 -3.333 1.00 0.00 C ATOM 2137 OE1 GLU B 664 8.839 1.643 -3.912 1.00 0.00 O ATOM 2138 OE2 GLU B 664 9.991 3.357 -3.163 1.00 0.00 O ATOM 0 H GLU B 664 4.492 0.987 -2.366 1.00 0.00 H new ATOM 0 HA GLU B 664 5.843 2.845 -0.753 1.00 0.00 H new ATOM 0 HB2 GLU B 664 6.870 1.402 -2.498 1.00 0.00 H new ATOM 0 HB3 GLU B 664 6.037 2.310 -3.744 1.00 0.00 H new ATOM 0 HG2 GLU B 664 7.364 4.215 -3.444 1.00 0.00 H new ATOM 0 HG3 GLU B 664 7.819 3.773 -1.810 1.00 0.00 H new ATOM 2143 N ASP B 665 4.130 4.189 -3.252 1.00 0.00 N ATOM 2144 CA ASP B 665 3.515 5.427 -3.717 1.00 0.00 C ATOM 2145 C ASP B 665 2.242 5.729 -2.933 1.00 0.00 C ATOM 2146 O ASP B 665 1.857 6.889 -2.776 1.00 0.00 O ATOM 2147 CB ASP B 665 3.201 5.337 -5.211 1.00 0.00 C ATOM 2148 CG ASP B 665 2.638 6.631 -5.763 1.00 0.00 C ATOM 2149 OD1 ASP B 665 3.435 7.547 -6.056 1.00 0.00 O ATOM 2150 OD2 ASP B 665 1.401 6.728 -5.904 1.00 0.00 O ATOM 0 H ASP B 665 3.992 3.391 -3.872 1.00 0.00 H new ATOM 0 HA ASP B 665 4.223 6.239 -3.552 1.00 0.00 H new ATOM 0 HB2 ASP B 665 4.109 5.078 -5.755 1.00 0.00 H new ATOM 0 HB3 ASP B 665 2.487 4.531 -5.381 1.00 0.00 H new ATOM 2154 N LEU B 666 1.591 4.680 -2.446 1.00 0.00 N ATOM 2155 CA LEU B 666 0.358 4.831 -1.680 1.00 0.00 C ATOM 2156 C LEU B 666 0.633 5.490 -0.331 1.00 0.00 C ATOM 2157 O LEU B 666 -0.048 6.439 0.058 1.00 0.00 O ATOM 2158 CB LEU B 666 -0.306 3.470 -1.468 1.00 0.00 C ATOM 2159 CG LEU B 666 -1.274 3.371 -0.289 1.00 0.00 C ATOM 2160 CD1 LEU B 666 -2.584 2.734 -0.726 1.00 0.00 C ATOM 2161 CD2 LEU B 666 -0.647 2.579 0.850 1.00 0.00 C ATOM 0 H LEU B 666 1.896 3.714 -2.567 1.00 0.00 H new ATOM 0 HA LEU B 666 -0.316 5.472 -2.248 1.00 0.00 H new ATOM 0 HB2 LEU B 666 -0.845 3.206 -2.378 1.00 0.00 H new ATOM 0 HB3 LEU B 666 0.477 2.724 -1.333 1.00 0.00 H new ATOM 0 HG LEU B 666 -1.486 4.379 0.069 1.00 0.00 H new ATOM 0 HD11 LEU B 666 -3.261 2.672 0.126 1.00 0.00 H new ATOM 0 HD12 LEU B 666 -3.041 3.341 -1.508 1.00 0.00 H new ATOM 0 HD13 LEU B 666 -2.391 1.732 -1.110 1.00 0.00 H new ATOM 0 HD21 LEU B 666 -1.350 2.518 1.681 1.00 0.00 H new ATOM 0 HD22 LEU B 666 -0.406 1.574 0.505 1.00 0.00 H new ATOM 0 HD23 LEU B 666 0.264 3.077 1.181 1.00 0.00 H new ATOM 2172 N VAL B 667 1.638 4.983 0.375 1.00 0.00 N ATOM 2173 CA VAL B 667 2.006 5.524 1.679 1.00 0.00 C ATOM 2174 C VAL B 667 2.677 6.886 1.538 1.00 0.00 C ATOM 2175 O VAL B 667 2.569 7.736 2.422 1.00 0.00 O ATOM 2176 CB VAL B 667 2.953 4.572 2.435 1.00 0.00 C ATOM 2177 CG1 VAL B 667 4.342 4.601 1.817 1.00 0.00 C ATOM 2178 CG2 VAL B 667 3.008 4.939 3.910 1.00 0.00 C ATOM 0 H VAL B 667 2.212 4.198 0.067 1.00 0.00 H new ATOM 0 HA VAL B 667 1.083 5.634 2.249 1.00 0.00 H new ATOM 0 HB VAL B 667 2.566 3.557 2.351 1.00 0.00 H new ATOM 0 HG11 VAL B 667 4.998 3.923 2.363 1.00 0.00 H new ATOM 0 HG12 VAL B 667 4.283 4.287 0.775 1.00 0.00 H new ATOM 0 HG13 VAL B 667 4.742 5.613 1.869 1.00 0.00 H new ATOM 0 HG21 VAL B 667 3.681 4.257 4.430 1.00 0.00 H new ATOM 0 HG22 VAL B 667 3.372 5.961 4.017 1.00 0.00 H new ATOM 0 HG23 VAL B 667 2.010 4.863 4.341 1.00 0.00 H new ATOM 2188 N ARG B 668 3.370 7.086 0.422 1.00 0.00 N ATOM 2189 CA ARG B 668 4.059 8.345 0.166 1.00 0.00 C ATOM 2190 C ARG B 668 3.062 9.487 0.003 1.00 0.00 C ATOM 2191 O ARG B 668 3.360 10.636 0.331 1.00 0.00 O ATOM 2192 CB ARG B 668 4.929 8.229 -1.088 1.00 0.00 C ATOM 2193 CG ARG B 668 6.361 7.808 -0.799 1.00 0.00 C ATOM 2194 CD ARG B 668 7.254 8.004 -2.014 1.00 0.00 C ATOM 2195 NE ARG B 668 6.827 7.185 -3.145 1.00 0.00 N ATOM 2196 CZ ARG B 668 7.202 7.411 -4.399 1.00 0.00 C ATOM 2197 NH1 ARG B 668 8.007 8.426 -4.681 1.00 0.00 N ATOM 2198 NH2 ARG B 668 6.771 6.621 -5.374 1.00 0.00 N ATOM 0 H ARG B 668 3.469 6.392 -0.319 1.00 0.00 H new ATOM 0 HA ARG B 668 4.696 8.562 1.023 1.00 0.00 H new ATOM 0 HB2 ARG B 668 4.477 7.507 -1.768 1.00 0.00 H new ATOM 0 HB3 ARG B 668 4.939 9.189 -1.603 1.00 0.00 H new ATOM 0 HG2 ARG B 668 6.750 8.388 0.038 1.00 0.00 H new ATOM 0 HG3 ARG B 668 6.380 6.761 -0.497 1.00 0.00 H new ATOM 0 HD2 ARG B 668 7.246 9.055 -2.304 1.00 0.00 H new ATOM 0 HD3 ARG B 668 8.282 7.753 -1.753 1.00 0.00 H new ATOM 0 HE ARG B 668 6.207 6.396 -2.962 1.00 0.00 H new ATOM 0 HH11 ARG B 668 8.340 9.036 -3.934 1.00 0.00 H new ATOM 0 HH12 ARG B 668 8.293 8.597 -5.645 1.00 0.00 H new ATOM 0 HH21 ARG B 668 6.151 5.839 -5.161 1.00 0.00 H new ATOM 0 HH22 ARG B 668 7.059 6.795 -6.337 1.00 0.00 H new ATOM 2209 N ALA B 669 1.878 9.165 -0.506 1.00 0.00 N ATOM 2210 CA ALA B 669 0.837 10.163 -0.712 1.00 0.00 C ATOM 2211 C ALA B 669 0.513 10.894 0.587 1.00 0.00 C ATOM 2212 O ALA B 669 0.071 12.043 0.570 1.00 0.00 O ATOM 2213 CB ALA B 669 -0.416 9.511 -1.278 1.00 0.00 C ATOM 0 H ALA B 669 1.616 8.219 -0.784 1.00 0.00 H new ATOM 0 HA ALA B 669 1.208 10.895 -1.429 1.00 0.00 H new ATOM 0 HB1 ALA B 669 -1.185 10.269 -1.427 1.00 0.00 H new ATOM 0 HB2 ALA B 669 -0.182 9.040 -2.233 1.00 0.00 H new ATOM 0 HB3 ALA B 669 -0.780 8.756 -0.581 1.00 0.00 H new ATOM 2219 N TYR B 670 0.736 10.222 1.710 1.00 0.00 N ATOM 2220 CA TYR B 670 0.465 10.807 3.018 1.00 0.00 C ATOM 2221 C TYR B 670 1.655 11.630 3.503 1.00 0.00 C ATOM 2222 O TYR B 670 1.524 12.820 3.794 1.00 0.00 O ATOM 2223 CB TYR B 670 0.142 9.710 4.034 1.00 0.00 C ATOM 2224 CG TYR B 670 -0.171 10.238 5.416 1.00 0.00 C ATOM 2225 CD1 TYR B 670 0.843 10.460 6.341 1.00 0.00 C ATOM 2226 CD2 TYR B 670 -1.478 10.513 5.797 1.00 0.00 C ATOM 2227 CE1 TYR B 670 0.562 10.941 7.606 1.00 0.00 C ATOM 2228 CE2 TYR B 670 -1.767 10.996 7.058 1.00 0.00 C ATOM 2229 CZ TYR B 670 -0.744 11.208 7.959 1.00 0.00 C ATOM 2230 OH TYR B 670 -1.029 11.688 9.217 1.00 0.00 O ATOM 0 H TYR B 670 1.104 9.271 1.741 1.00 0.00 H new ATOM 0 HA TYR B 670 -0.396 11.468 2.921 1.00 0.00 H new ATOM 0 HB2 TYR B 670 -0.709 9.132 3.674 1.00 0.00 H new ATOM 0 HB3 TYR B 670 0.988 9.026 4.099 1.00 0.00 H new ATOM 0 HD1 TYR B 670 1.867 10.253 6.067 1.00 0.00 H new ATOM 0 HD2 TYR B 670 -2.282 10.346 5.095 1.00 0.00 H new ATOM 0 HE1 TYR B 670 1.361 11.107 8.314 1.00 0.00 H new ATOM 0 HE2 TYR B 670 -2.789 11.207 7.337 1.00 0.00 H new ATOM 0 HH TYR B 670 -1.996 11.824 9.304 1.00 0.00 H new ATOM 2239 N HIS B 671 2.816 10.988 3.587 1.00 0.00 N ATOM 2240 CA HIS B 671 4.030 11.661 4.034 1.00 0.00 C ATOM 2241 C HIS B 671 4.335 12.872 3.160 1.00 0.00 C ATOM 2242 O HIS B 671 4.969 13.828 3.605 1.00 0.00 O ATOM 2243 CB HIS B 671 5.212 10.691 4.013 1.00 0.00 C ATOM 2244 CG HIS B 671 6.502 11.308 4.461 1.00 0.00 C ATOM 2245 ND1 HIS B 671 7.424 11.842 3.585 1.00 0.00 N ATOM 2246 CD2 HIS B 671 7.020 11.477 5.700 1.00 0.00 C ATOM 2247 CE1 HIS B 671 8.455 12.310 4.267 1.00 0.00 C ATOM 2248 NE2 HIS B 671 8.234 12.102 5.552 1.00 0.00 N ATOM 0 H HIS B 671 2.941 10.004 3.352 1.00 0.00 H new ATOM 0 HA HIS B 671 3.869 12.005 5.056 1.00 0.00 H new ATOM 0 HB2 HIS B 671 4.984 9.840 4.654 1.00 0.00 H new ATOM 0 HB3 HIS B 671 5.336 10.304 3.002 1.00 0.00 H new ATOM 0 HD2 HIS B 671 6.564 11.176 6.632 1.00 0.00 H new ATOM 0 HE1 HIS B 671 9.330 12.782 3.845 1.00 0.00 H new ATOM 0 HE2 HIS B 671 8.863 12.363 6.311 1.00 0.00 H new ATOM 2255 N ALA B 672 3.881 12.824 1.911 1.00 0.00 N ATOM 2256 CA ALA B 672 4.105 13.918 0.974 1.00 0.00 C ATOM 2257 C ALA B 672 3.226 15.118 1.311 1.00 0.00 C ATOM 2258 O ALA B 672 3.700 16.251 1.364 1.00 0.00 O ATOM 2259 CB ALA B 672 3.844 13.453 -0.451 1.00 0.00 C ATOM 0 H ALA B 672 3.356 12.039 1.525 1.00 0.00 H new ATOM 0 HA ALA B 672 5.146 14.229 1.058 1.00 0.00 H new ATOM 0 HB1 ALA B 672 4.015 14.280 -1.141 1.00 0.00 H new ATOM 0 HB2 ALA B 672 4.518 12.632 -0.695 1.00 0.00 H new ATOM 0 HB3 ALA B 672 2.812 13.114 -0.540 1.00 0.00 H new ATOM 2265 N MET B 673 1.942 14.860 1.537 1.00 0.00 N ATOM 2266 CA MET B 673 0.996 15.919 1.869 1.00 0.00 C ATOM 2267 C MET B 673 1.511 16.764 3.031 1.00 0.00 C ATOM 2268 O MET B 673 1.319 17.979 3.061 1.00 0.00 O ATOM 2269 CB MET B 673 -0.368 15.324 2.222 1.00 0.00 C ATOM 2270 CG MET B 673 -1.464 16.365 2.378 1.00 0.00 C ATOM 2271 SD MET B 673 -3.117 15.657 2.253 1.00 0.00 S ATOM 2272 CE MET B 673 -3.020 14.350 3.474 1.00 0.00 C ATOM 0 H MET B 673 1.533 13.927 1.496 1.00 0.00 H new ATOM 0 HA MET B 673 0.888 16.561 0.995 1.00 0.00 H new ATOM 0 HB2 MET B 673 -0.658 14.616 1.445 1.00 0.00 H new ATOM 0 HB3 MET B 673 -0.280 14.760 3.150 1.00 0.00 H new ATOM 0 HG2 MET B 673 -1.356 16.858 3.344 1.00 0.00 H new ATOM 0 HG3 MET B 673 -1.343 17.132 1.613 1.00 0.00 H new ATOM 0 HE1 MET B 673 -4.019 13.959 3.669 1.00 0.00 H new ATOM 0 HE2 MET B 673 -2.384 13.548 3.099 1.00 0.00 H new ATOM 0 HE3 MET B 673 -2.599 14.746 4.398 1.00 0.00 H new