USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 598 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 28 CYS SG : rot 95:sc= -0.372 USER MOD Set 1.2: A 32 MET CE :methyl -158:sc= -0.613 (180deg=-1.57) USER MOD Set 2.1: A 24 MET CE :methyl 175:sc= -0.536 (180deg=-0.688) USER MOD Set 2.2: A 79 GLN :FLIP amide:sc= 0 F(o=-1.7,f=-0.54) USER MOD Single : A 23 THR OG1 : rot -62:sc= 0.00353 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.0126 K(o=-0.013,f=-7.5!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -0.0287 X(o=-0.029,f=-0.0047) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 179:sc= 1.25 (180deg=1.25) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl 160:sc= -1.66 (180deg=-3.51!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -174:sc= -0.0143 (180deg=-0.0373) USER MOD Single : A 67 CYS SG : rot 180:sc= -0.552 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0654 USER MOD Single : A 74 SER OG : rot -170:sc= 0 USER MOD Single : A 76 THR OG1 : rot 87:sc= 1.04 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 HIS : no HD1:sc= -0.0587 X(o=-0.059,f=-0.23) USER MOD Single : A 85 SER OG : rot 180:sc=-0.00804 USER MOD Single : A 89 GLN : amide:sc= -2.46 K(o=-2.5,f=-4.2!) USER MOD Single : A 91 SER OG : rot 180:sc= -0.0804 USER MOD ----------------------------------------------------------------- ATOM 270 N GLY A 20 12.898 8.105 0.215 1.00 0.00 N ATOM 271 CA GLY A 20 14.216 7.825 -0.324 1.00 0.00 C ATOM 272 C GLY A 20 14.211 6.521 -1.099 1.00 0.00 C ATOM 273 O GLY A 20 13.726 6.485 -2.226 1.00 0.00 O ATOM 0 HA2 GLY A 20 14.529 8.640 -0.976 1.00 0.00 H new ATOM 0 HA3 GLY A 20 14.942 7.769 0.487 1.00 0.00 H new ATOM 277 N PHE A 21 14.744 5.489 -0.460 1.00 0.00 N ATOM 278 CA PHE A 21 14.780 4.051 -0.695 1.00 0.00 C ATOM 279 C PHE A 21 15.670 3.446 0.385 1.00 0.00 C ATOM 280 O PHE A 21 16.577 4.113 0.884 1.00 0.00 O ATOM 281 CB PHE A 21 15.350 3.678 -2.087 1.00 0.00 C ATOM 282 CG PHE A 21 14.365 3.857 -3.225 1.00 0.00 C ATOM 283 CD1 PHE A 21 13.036 3.455 -3.034 1.00 0.00 C ATOM 284 CD2 PHE A 21 14.726 4.484 -4.434 1.00 0.00 C ATOM 285 CE1 PHE A 21 12.058 3.724 -3.993 1.00 0.00 C ATOM 286 CE2 PHE A 21 13.760 4.689 -5.441 1.00 0.00 C ATOM 287 CZ PHE A 21 12.422 4.328 -5.198 1.00 0.00 C ATOM 0 H PHE A 21 15.258 5.686 0.399 1.00 0.00 H new ATOM 0 HA PHE A 21 13.760 3.667 -0.664 1.00 0.00 H new ATOM 0 HB2 PHE A 21 16.231 4.289 -2.283 1.00 0.00 H new ATOM 0 HB3 PHE A 21 15.681 2.640 -2.066 1.00 0.00 H new ATOM 0 HD1 PHE A 21 12.764 2.929 -2.131 1.00 0.00 H new ATOM 0 HD2 PHE A 21 15.744 4.808 -4.590 1.00 0.00 H new ATOM 0 HE1 PHE A 21 11.026 3.467 -3.804 1.00 0.00 H new ATOM 0 HE2 PHE A 21 14.045 5.119 -6.390 1.00 0.00 H new ATOM 0 HZ PHE A 21 11.670 4.520 -5.950 1.00 0.00 H new ATOM 297 N VAL A 22 15.414 2.179 0.717 1.00 0.00 N ATOM 298 CA VAL A 22 16.269 1.333 1.537 1.00 0.00 C ATOM 299 C VAL A 22 16.159 -0.070 0.930 1.00 0.00 C ATOM 300 O VAL A 22 15.054 -0.502 0.586 1.00 0.00 O ATOM 301 CB VAL A 22 15.799 1.336 3.007 1.00 0.00 C ATOM 302 CG1 VAL A 22 16.837 0.656 3.911 1.00 0.00 C ATOM 303 CG2 VAL A 22 15.474 2.713 3.605 1.00 0.00 C ATOM 0 H VAL A 22 14.569 1.699 0.407 1.00 0.00 H new ATOM 0 HA VAL A 22 17.299 1.688 1.544 1.00 0.00 H new ATOM 0 HB VAL A 22 14.859 0.784 2.976 1.00 0.00 H new ATOM 0 HG11 VAL A 22 16.485 0.669 4.943 1.00 0.00 H new ATOM 0 HG12 VAL A 22 16.979 -0.376 3.589 1.00 0.00 H new ATOM 0 HG13 VAL A 22 17.784 1.191 3.844 1.00 0.00 H new ATOM 0 HG21 VAL A 22 15.155 2.594 4.640 1.00 0.00 H new ATOM 0 HG22 VAL A 22 16.362 3.344 3.569 1.00 0.00 H new ATOM 0 HG23 VAL A 22 14.674 3.180 3.030 1.00 0.00 H new ATOM 313 N THR A 23 17.267 -0.784 0.775 1.00 0.00 N ATOM 314 CA THR A 23 17.276 -2.108 0.155 1.00 0.00 C ATOM 315 C THR A 23 17.023 -3.180 1.222 1.00 0.00 C ATOM 316 O THR A 23 17.513 -3.058 2.346 1.00 0.00 O ATOM 317 CB THR A 23 18.606 -2.266 -0.600 1.00 0.00 C ATOM 318 OG1 THR A 23 18.789 -1.134 -1.420 1.00 0.00 O ATOM 319 CG2 THR A 23 18.677 -3.506 -1.493 1.00 0.00 C ATOM 0 H THR A 23 18.187 -0.463 1.075 1.00 0.00 H new ATOM 0 HA THR A 23 16.473 -2.228 -0.572 1.00 0.00 H new ATOM 0 HB THR A 23 19.381 -2.373 0.159 1.00 0.00 H new ATOM 0 HG1 THR A 23 18.066 -1.088 -2.080 1.00 0.00 H new ATOM 0 HG21 THR A 23 19.647 -3.542 -1.989 1.00 0.00 H new ATOM 0 HG22 THR A 23 18.547 -4.401 -0.884 1.00 0.00 H new ATOM 0 HG23 THR A 23 17.888 -3.460 -2.243 1.00 0.00 H new ATOM 327 N MET A 24 16.260 -4.231 0.900 1.00 0.00 N ATOM 328 CA MET A 24 16.078 -5.397 1.753 1.00 0.00 C ATOM 329 C MET A 24 16.680 -6.624 1.093 1.00 0.00 C ATOM 330 O MET A 24 17.001 -6.619 -0.098 1.00 0.00 O ATOM 331 CB MET A 24 14.609 -5.656 2.109 1.00 0.00 C ATOM 332 CG MET A 24 13.905 -4.424 2.661 1.00 0.00 C ATOM 333 SD MET A 24 12.172 -4.672 3.150 1.00 0.00 S ATOM 334 CE MET A 24 12.340 -6.048 4.313 1.00 0.00 C ATOM 0 H MET A 24 15.745 -4.290 0.022 1.00 0.00 H new ATOM 0 HA MET A 24 16.596 -5.187 2.689 1.00 0.00 H new ATOM 0 HB2 MET A 24 14.081 -6.002 1.220 1.00 0.00 H new ATOM 0 HB3 MET A 24 14.555 -6.459 2.844 1.00 0.00 H new ATOM 0 HG2 MET A 24 14.462 -4.065 3.527 1.00 0.00 H new ATOM 0 HG3 MET A 24 13.944 -3.636 1.909 1.00 0.00 H new ATOM 0 HE1 MET A 24 11.373 -6.260 4.768 1.00 0.00 H new ATOM 0 HE2 MET A 24 12.692 -6.932 3.782 1.00 0.00 H new ATOM 0 HE3 MET A 24 13.057 -5.782 5.090 1.00 0.00 H new ATOM 344 N ILE A 25 16.808 -7.675 1.892 1.00 0.00 N ATOM 345 CA ILE A 25 17.496 -8.909 1.565 1.00 0.00 C ATOM 346 C ILE A 25 16.507 -10.039 1.818 1.00 0.00 C ATOM 347 O ILE A 25 15.796 -10.038 2.823 1.00 0.00 O ATOM 348 CB ILE A 25 18.771 -9.011 2.437 1.00 0.00 C ATOM 349 CG1 ILE A 25 19.801 -7.900 2.134 1.00 0.00 C ATOM 350 CG2 ILE A 25 19.445 -10.391 2.385 1.00 0.00 C ATOM 351 CD1 ILE A 25 20.333 -7.844 0.699 1.00 0.00 C ATOM 0 H ILE A 25 16.413 -7.687 2.833 1.00 0.00 H new ATOM 0 HA ILE A 25 17.823 -8.956 0.526 1.00 0.00 H new ATOM 0 HB ILE A 25 18.410 -8.866 3.455 1.00 0.00 H new ATOM 0 HG12 ILE A 25 19.346 -6.938 2.368 1.00 0.00 H new ATOM 0 HG13 ILE A 25 20.648 -8.025 2.809 1.00 0.00 H new ATOM 0 HG21 ILE A 25 20.331 -10.387 3.020 1.00 0.00 H new ATOM 0 HG22 ILE A 25 18.748 -11.150 2.740 1.00 0.00 H new ATOM 0 HG23 ILE A 25 19.735 -10.616 1.359 1.00 0.00 H new ATOM 0 HD11 ILE A 25 21.047 -7.026 0.607 1.00 0.00 H new ATOM 0 HD12 ILE A 25 20.827 -8.785 0.457 1.00 0.00 H new ATOM 0 HD13 ILE A 25 19.504 -7.681 0.010 1.00 0.00 H new ATOM 363 N LEU A 26 16.492 -11.010 0.910 1.00 0.00 N ATOM 364 CA LEU A 26 15.711 -12.229 1.002 1.00 0.00 C ATOM 365 C LEU A 26 16.658 -13.409 0.920 1.00 0.00 C ATOM 366 O LEU A 26 17.445 -13.488 -0.028 1.00 0.00 O ATOM 367 CB LEU A 26 14.693 -12.288 -0.153 1.00 0.00 C ATOM 368 CG LEU A 26 13.236 -12.309 0.305 1.00 0.00 C ATOM 369 CD1 LEU A 26 12.953 -13.548 1.133 1.00 0.00 C ATOM 370 CD2 LEU A 26 12.885 -10.977 0.981 1.00 0.00 C ATOM 0 H LEU A 26 17.048 -10.962 0.056 1.00 0.00 H new ATOM 0 HA LEU A 26 15.165 -12.254 1.945 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.846 -11.427 -0.804 1.00 0.00 H new ATOM 0 HB3 LEU A 26 14.888 -13.178 -0.751 1.00 0.00 H new ATOM 0 HG LEU A 26 12.565 -12.390 -0.550 1.00 0.00 H new ATOM 0 HD11 LEU A 26 11.910 -13.544 1.449 1.00 0.00 H new ATOM 0 HD12 LEU A 26 13.147 -14.438 0.534 1.00 0.00 H new ATOM 0 HD13 LEU A 26 13.598 -13.554 2.011 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.845 -10.997 1.306 1.00 0.00 H new ATOM 0 HD22 LEU A 26 13.532 -10.826 1.845 1.00 0.00 H new ATOM 0 HD23 LEU A 26 13.028 -10.161 0.273 1.00 0.00 H new ATOM 382 N GLN A 27 16.568 -14.339 1.870 1.00 0.00 N ATOM 383 CA GLN A 27 17.378 -15.549 1.886 1.00 0.00 C ATOM 384 C GLN A 27 16.465 -16.736 2.156 1.00 0.00 C ATOM 385 O GLN A 27 15.856 -16.848 3.221 1.00 0.00 O ATOM 386 CB GLN A 27 18.530 -15.445 2.894 1.00 0.00 C ATOM 387 CG GLN A 27 19.439 -14.250 2.578 1.00 0.00 C ATOM 388 CD GLN A 27 20.830 -14.425 3.162 1.00 0.00 C ATOM 389 OE1 GLN A 27 21.016 -14.402 4.377 1.00 0.00 O ATOM 390 NE2 GLN A 27 21.828 -14.644 2.325 1.00 0.00 N ATOM 0 H GLN A 27 15.923 -14.270 2.657 1.00 0.00 H new ATOM 0 HA GLN A 27 17.855 -15.689 0.916 1.00 0.00 H new ATOM 0 HB2 GLN A 27 18.127 -15.342 3.901 1.00 0.00 H new ATOM 0 HB3 GLN A 27 19.115 -16.365 2.877 1.00 0.00 H new ATOM 0 HG2 GLN A 27 19.512 -14.126 1.498 1.00 0.00 H new ATOM 0 HG3 GLN A 27 18.991 -13.339 2.974 1.00 0.00 H new ATOM 0 HE21 GLN A 27 21.656 -14.660 1.320 1.00 0.00 H new ATOM 0 HE22 GLN A 27 22.770 -14.797 2.684 1.00 0.00 H new ATOM 399 N CYS A 28 16.355 -17.613 1.166 1.00 0.00 N ATOM 400 CA CYS A 28 15.579 -18.843 1.239 1.00 0.00 C ATOM 401 C CYS A 28 16.508 -19.999 1.603 1.00 0.00 C ATOM 402 O CYS A 28 17.732 -19.835 1.634 1.00 0.00 O ATOM 403 CB CYS A 28 14.855 -19.061 -0.096 1.00 0.00 C ATOM 404 SG CYS A 28 16.016 -19.099 -1.471 1.00 0.00 S ATOM 0 H CYS A 28 16.816 -17.484 0.265 1.00 0.00 H new ATOM 0 HA CYS A 28 14.817 -18.781 2.016 1.00 0.00 H new ATOM 0 HB2 CYS A 28 14.298 -19.997 -0.061 1.00 0.00 H new ATOM 0 HB3 CYS A 28 14.128 -18.264 -0.253 1.00 0.00 H new ATOM 0 HG CYS A 28 16.342 -20.331 -1.729 1.00 0.00 H new ATOM 410 N SER A 29 15.937 -21.177 1.855 1.00 0.00 N ATOM 411 CA SER A 29 16.709 -22.384 2.125 1.00 0.00 C ATOM 412 C SER A 29 16.426 -23.478 1.082 1.00 0.00 C ATOM 413 O SER A 29 16.332 -24.660 1.428 1.00 0.00 O ATOM 414 CB SER A 29 16.508 -22.773 3.599 1.00 0.00 C ATOM 415 OG SER A 29 17.725 -23.222 4.166 1.00 0.00 O ATOM 0 H SER A 29 14.927 -21.318 1.877 1.00 0.00 H new ATOM 0 HA SER A 29 17.778 -22.211 2.004 1.00 0.00 H new ATOM 0 HB2 SER A 29 16.134 -21.916 4.159 1.00 0.00 H new ATOM 0 HB3 SER A 29 15.754 -23.557 3.674 1.00 0.00 H new ATOM 0 HG SER A 29 17.579 -23.464 5.104 1.00 0.00 H new ATOM 421 N ILE A 30 16.282 -23.073 -0.187 1.00 0.00 N ATOM 422 CA ILE A 30 16.339 -23.873 -1.416 1.00 0.00 C ATOM 423 C ILE A 30 16.959 -23.011 -2.520 1.00 0.00 C ATOM 424 O ILE A 30 17.068 -21.799 -2.370 1.00 0.00 O ATOM 425 CB ILE A 30 14.942 -24.359 -1.887 1.00 0.00 C ATOM 426 CG1 ILE A 30 13.872 -23.242 -1.818 1.00 0.00 C ATOM 427 CG2 ILE A 30 14.572 -25.615 -1.099 1.00 0.00 C ATOM 428 CD1 ILE A 30 12.519 -23.633 -2.420 1.00 0.00 C ATOM 0 H ILE A 30 16.107 -22.090 -0.397 1.00 0.00 H new ATOM 0 HA ILE A 30 16.936 -24.761 -1.207 1.00 0.00 H new ATOM 0 HB ILE A 30 14.983 -24.619 -2.945 1.00 0.00 H new ATOM 0 HG12 ILE A 30 13.725 -22.958 -0.776 1.00 0.00 H new ATOM 0 HG13 ILE A 30 14.248 -22.361 -2.338 1.00 0.00 H new ATOM 0 HG21 ILE A 30 13.592 -25.969 -1.418 1.00 0.00 H new ATOM 0 HG22 ILE A 30 15.316 -26.391 -1.281 1.00 0.00 H new ATOM 0 HG23 ILE A 30 14.544 -25.382 -0.035 1.00 0.00 H new ATOM 0 HD11 ILE A 30 11.826 -22.796 -2.332 1.00 0.00 H new ATOM 0 HD12 ILE A 30 12.649 -23.888 -3.472 1.00 0.00 H new ATOM 0 HD13 ILE A 30 12.118 -24.494 -1.885 1.00 0.00 H new ATOM 440 N GLU A 31 17.311 -23.612 -3.655 1.00 0.00 N ATOM 441 CA GLU A 31 17.583 -22.868 -4.870 1.00 0.00 C ATOM 442 C GLU A 31 16.302 -22.212 -5.371 1.00 0.00 C ATOM 443 O GLU A 31 15.261 -22.867 -5.489 1.00 0.00 O ATOM 444 CB GLU A 31 18.179 -23.794 -5.933 1.00 0.00 C ATOM 445 CG GLU A 31 18.776 -23.010 -7.106 1.00 0.00 C ATOM 446 CD GLU A 31 19.015 -23.896 -8.324 1.00 0.00 C ATOM 447 OE1 GLU A 31 18.025 -24.198 -9.038 1.00 0.00 O ATOM 448 OE2 GLU A 31 20.178 -24.242 -8.601 1.00 0.00 O ATOM 0 H GLU A 31 17.414 -24.622 -3.752 1.00 0.00 H new ATOM 0 HA GLU A 31 18.311 -22.085 -4.659 1.00 0.00 H new ATOM 0 HB2 GLU A 31 18.952 -24.415 -5.481 1.00 0.00 H new ATOM 0 HB3 GLU A 31 17.405 -24.467 -6.303 1.00 0.00 H new ATOM 0 HG2 GLU A 31 18.104 -22.195 -7.377 1.00 0.00 H new ATOM 0 HG3 GLU A 31 19.718 -22.557 -6.797 1.00 0.00 H new ATOM 455 N MET A 32 16.418 -20.941 -5.740 1.00 0.00 N ATOM 456 CA MET A 32 15.488 -20.195 -6.560 1.00 0.00 C ATOM 457 C MET A 32 15.996 -20.158 -8.009 1.00 0.00 C ATOM 458 O MET A 32 16.699 -19.220 -8.385 1.00 0.00 O ATOM 459 CB MET A 32 15.337 -18.769 -6.022 1.00 0.00 C ATOM 460 CG MET A 32 14.697 -18.743 -4.639 1.00 0.00 C ATOM 461 SD MET A 32 14.454 -17.075 -3.970 1.00 0.00 S ATOM 462 CE MET A 32 16.080 -16.335 -4.166 1.00 0.00 C ATOM 0 H MET A 32 17.216 -20.375 -5.453 1.00 0.00 H new ATOM 0 HA MET A 32 14.514 -20.684 -6.532 1.00 0.00 H new ATOM 0 HB2 MET A 32 16.317 -18.293 -5.977 1.00 0.00 H new ATOM 0 HB3 MET A 32 14.730 -18.184 -6.713 1.00 0.00 H new ATOM 0 HG2 MET A 32 13.732 -19.248 -4.687 1.00 0.00 H new ATOM 0 HG3 MET A 32 15.321 -19.312 -3.950 1.00 0.00 H new ATOM 0 HE1 MET A 32 16.186 -15.501 -3.473 1.00 0.00 H new ATOM 0 HE2 MET A 32 16.847 -17.081 -3.956 1.00 0.00 H new ATOM 0 HE3 MET A 32 16.195 -15.974 -5.188 1.00 0.00 H new ATOM 472 N PRO A 33 15.700 -21.153 -8.856 1.00 0.00 N ATOM 473 CA PRO A 33 15.994 -21.049 -10.278 1.00 0.00 C ATOM 474 C PRO A 33 15.254 -19.884 -10.943 1.00 0.00 C ATOM 475 O PRO A 33 15.714 -19.396 -11.972 1.00 0.00 O ATOM 476 CB PRO A 33 15.592 -22.387 -10.896 1.00 0.00 C ATOM 477 CG PRO A 33 14.590 -22.952 -9.900 1.00 0.00 C ATOM 478 CD PRO A 33 15.077 -22.423 -8.554 1.00 0.00 C ATOM 0 HA PRO A 33 17.053 -20.840 -10.432 1.00 0.00 H new ATOM 0 HB2 PRO A 33 15.147 -22.256 -11.882 1.00 0.00 H new ATOM 0 HB3 PRO A 33 16.451 -23.047 -11.019 1.00 0.00 H new ATOM 0 HG2 PRO A 33 13.576 -22.617 -10.119 1.00 0.00 H new ATOM 0 HG3 PRO A 33 14.577 -24.042 -9.920 1.00 0.00 H new ATOM 0 HD2 PRO A 33 14.250 -22.301 -7.855 1.00 0.00 H new ATOM 0 HD3 PRO A 33 15.786 -23.111 -8.092 1.00 0.00 H new ATOM 486 N ASN A 34 14.137 -19.425 -10.374 1.00 0.00 N ATOM 487 CA ASN A 34 13.353 -18.313 -10.886 1.00 0.00 C ATOM 488 C ASN A 34 13.075 -17.319 -9.772 1.00 0.00 C ATOM 489 O ASN A 34 13.148 -17.640 -8.585 1.00 0.00 O ATOM 490 CB ASN A 34 12.032 -18.800 -11.495 1.00 0.00 C ATOM 491 CG ASN A 34 11.111 -19.415 -10.449 1.00 0.00 C ATOM 492 OD1 ASN A 34 10.549 -18.713 -9.621 1.00 0.00 O ATOM 493 ND2 ASN A 34 10.971 -20.727 -10.423 1.00 0.00 N ATOM 0 H ASN A 34 13.748 -19.831 -9.523 1.00 0.00 H new ATOM 0 HA ASN A 34 13.929 -17.825 -11.672 1.00 0.00 H new ATOM 0 HB2 ASN A 34 11.525 -17.964 -11.977 1.00 0.00 H new ATOM 0 HB3 ASN A 34 12.241 -19.536 -12.271 1.00 0.00 H new ATOM 0 HD21 ASN A 34 10.390 -21.164 -9.708 1.00 0.00 H new ATOM 0 HD22 ASN A 34 11.444 -21.304 -11.118 1.00 0.00 H new ATOM 500 N ILE A 35 12.725 -16.108 -10.184 1.00 0.00 N ATOM 501 CA ILE A 35 12.381 -14.998 -9.310 1.00 0.00 C ATOM 502 C ILE A 35 10.918 -15.045 -8.816 1.00 0.00 C ATOM 503 O ILE A 35 10.554 -14.339 -7.877 1.00 0.00 O ATOM 504 CB ILE A 35 12.792 -13.692 -10.023 1.00 0.00 C ATOM 505 CG1 ILE A 35 12.916 -12.541 -9.013 1.00 0.00 C ATOM 506 CG2 ILE A 35 11.891 -13.349 -11.221 1.00 0.00 C ATOM 507 CD1 ILE A 35 13.774 -11.372 -9.516 1.00 0.00 C ATOM 0 H ILE A 35 12.671 -15.864 -11.173 1.00 0.00 H new ATOM 0 HA ILE A 35 12.939 -15.064 -8.376 1.00 0.00 H new ATOM 0 HB ILE A 35 13.778 -13.853 -10.458 1.00 0.00 H new ATOM 0 HG12 ILE A 35 11.919 -12.172 -8.772 1.00 0.00 H new ATOM 0 HG13 ILE A 35 13.346 -12.925 -8.088 1.00 0.00 H new ATOM 0 HG21 ILE A 35 12.232 -12.420 -11.679 1.00 0.00 H new ATOM 0 HG22 ILE A 35 11.939 -14.154 -11.954 1.00 0.00 H new ATOM 0 HG23 ILE A 35 10.863 -13.229 -10.880 1.00 0.00 H new ATOM 0 HD11 ILE A 35 13.817 -10.597 -8.751 1.00 0.00 H new ATOM 0 HD12 ILE A 35 14.782 -11.727 -9.730 1.00 0.00 H new ATOM 0 HD13 ILE A 35 13.333 -10.961 -10.424 1.00 0.00 H new ATOM 519 N SER A 36 10.065 -15.877 -9.426 1.00 0.00 N ATOM 520 CA SER A 36 8.680 -16.072 -9.007 1.00 0.00 C ATOM 521 C SER A 36 8.625 -16.595 -7.569 1.00 0.00 C ATOM 522 O SER A 36 7.750 -16.177 -6.820 1.00 0.00 O ATOM 523 CB SER A 36 7.988 -17.048 -9.973 1.00 0.00 C ATOM 524 OG SER A 36 6.631 -16.720 -10.203 1.00 0.00 O ATOM 0 H SER A 36 10.326 -16.440 -10.236 1.00 0.00 H new ATOM 0 HA SER A 36 8.156 -15.117 -9.034 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.522 -17.052 -10.923 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.050 -18.058 -9.568 1.00 0.00 H new ATOM 0 HG SER A 36 6.238 -17.369 -10.824 1.00 0.00 H new ATOM 530 N TYR A 37 9.568 -17.453 -7.163 1.00 0.00 N ATOM 531 CA TYR A 37 9.667 -18.015 -5.825 1.00 0.00 C ATOM 532 C TYR A 37 9.543 -16.921 -4.760 1.00 0.00 C ATOM 533 O TYR A 37 8.700 -17.021 -3.875 1.00 0.00 O ATOM 534 CB TYR A 37 10.998 -18.772 -5.682 1.00 0.00 C ATOM 535 CG TYR A 37 10.989 -20.256 -5.973 1.00 0.00 C ATOM 536 CD1 TYR A 37 10.487 -21.156 -5.013 1.00 0.00 C ATOM 537 CD2 TYR A 37 11.574 -20.745 -7.156 1.00 0.00 C ATOM 538 CE1 TYR A 37 10.629 -22.541 -5.204 1.00 0.00 C ATOM 539 CE2 TYR A 37 11.698 -22.129 -7.360 1.00 0.00 C ATOM 540 CZ TYR A 37 11.282 -23.031 -6.357 1.00 0.00 C ATOM 541 OH TYR A 37 11.538 -24.360 -6.491 1.00 0.00 O ATOM 0 H TYR A 37 10.306 -17.782 -7.785 1.00 0.00 H new ATOM 0 HA TYR A 37 8.844 -18.714 -5.674 1.00 0.00 H new ATOM 0 HB2 TYR A 37 11.725 -18.303 -6.345 1.00 0.00 H new ATOM 0 HB3 TYR A 37 11.358 -18.631 -4.663 1.00 0.00 H new ATOM 0 HD1 TYR A 37 9.992 -20.781 -4.129 1.00 0.00 H new ATOM 0 HD2 TYR A 37 11.928 -20.055 -7.908 1.00 0.00 H new ATOM 0 HE1 TYR A 37 10.239 -23.230 -4.470 1.00 0.00 H new ATOM 0 HE2 TYR A 37 12.112 -22.503 -8.285 1.00 0.00 H new ATOM 0 HH TYR A 37 11.992 -24.521 -7.345 1.00 0.00 H new ATOM 551 N ALA A 38 10.362 -15.874 -4.838 1.00 0.00 N ATOM 552 CA ALA A 38 10.400 -14.865 -3.793 1.00 0.00 C ATOM 553 C ALA A 38 9.181 -13.961 -3.859 1.00 0.00 C ATOM 554 O ALA A 38 8.661 -13.577 -2.816 1.00 0.00 O ATOM 555 CB ALA A 38 11.680 -14.052 -3.905 1.00 0.00 C ATOM 0 H ALA A 38 11.004 -15.707 -5.613 1.00 0.00 H new ATOM 0 HA ALA A 38 10.385 -15.368 -2.826 1.00 0.00 H new ATOM 0 HB1 ALA A 38 11.702 -13.298 -3.119 1.00 0.00 H new ATOM 0 HB2 ALA A 38 12.541 -14.712 -3.799 1.00 0.00 H new ATOM 0 HB3 ALA A 38 11.716 -13.563 -4.878 1.00 0.00 H new ATOM 561 N TRP A 39 8.710 -13.633 -5.064 1.00 0.00 N ATOM 562 CA TRP A 39 7.466 -12.899 -5.231 1.00 0.00 C ATOM 563 C TRP A 39 6.294 -13.658 -4.616 1.00 0.00 C ATOM 564 O TRP A 39 5.417 -13.017 -4.048 1.00 0.00 O ATOM 565 CB TRP A 39 7.199 -12.617 -6.712 1.00 0.00 C ATOM 566 CG TRP A 39 8.027 -11.535 -7.329 1.00 0.00 C ATOM 567 CD1 TRP A 39 8.878 -11.707 -8.365 1.00 0.00 C ATOM 568 CD2 TRP A 39 8.116 -10.121 -6.965 1.00 0.00 C ATOM 569 NE1 TRP A 39 9.462 -10.497 -8.683 1.00 0.00 N ATOM 570 CE2 TRP A 39 9.028 -9.484 -7.859 1.00 0.00 C ATOM 571 CE3 TRP A 39 7.546 -9.316 -5.954 1.00 0.00 C ATOM 572 CZ2 TRP A 39 9.345 -8.119 -7.769 1.00 0.00 C ATOM 573 CZ3 TRP A 39 7.871 -7.951 -5.840 1.00 0.00 C ATOM 574 CH2 TRP A 39 8.756 -7.349 -6.754 1.00 0.00 C ATOM 0 H TRP A 39 9.178 -13.868 -5.939 1.00 0.00 H new ATOM 0 HA TRP A 39 7.567 -11.948 -4.708 1.00 0.00 H new ATOM 0 HB2 TRP A 39 7.362 -13.537 -7.273 1.00 0.00 H new ATOM 0 HB3 TRP A 39 6.147 -12.355 -6.829 1.00 0.00 H new ATOM 0 HD1 TRP A 39 9.071 -12.644 -8.866 1.00 0.00 H new ATOM 0 HE1 TRP A 39 10.135 -10.369 -9.439 1.00 0.00 H new ATOM 0 HE3 TRP A 39 6.849 -9.755 -5.256 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 10.032 -7.668 -8.470 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 7.438 -7.361 -5.045 1.00 0.00 H new ATOM 0 HH2 TRP A 39 8.982 -6.296 -6.674 1.00 0.00 H new ATOM 585 N LYS A 40 6.265 -14.987 -4.729 1.00 0.00 N ATOM 586 CA LYS A 40 5.203 -15.821 -4.188 1.00 0.00 C ATOM 587 C LYS A 40 5.146 -15.686 -2.677 1.00 0.00 C ATOM 588 O LYS A 40 4.090 -15.336 -2.151 1.00 0.00 O ATOM 589 CB LYS A 40 5.370 -17.272 -4.635 1.00 0.00 C ATOM 590 CG LYS A 40 4.841 -17.393 -6.067 1.00 0.00 C ATOM 591 CD LYS A 40 5.361 -18.627 -6.789 1.00 0.00 C ATOM 592 CE LYS A 40 4.781 -19.929 -6.222 1.00 0.00 C ATOM 593 NZ LYS A 40 5.740 -20.672 -5.383 1.00 0.00 N ATOM 0 H LYS A 40 6.993 -15.518 -5.208 1.00 0.00 H new ATOM 0 HA LYS A 40 4.247 -15.478 -4.583 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.419 -17.566 -4.591 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.824 -17.940 -3.970 1.00 0.00 H new ATOM 0 HG2 LYS A 40 3.752 -17.423 -6.045 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.124 -16.503 -6.630 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.115 -18.555 -7.848 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.448 -18.655 -6.716 1.00 0.00 H new ATOM 0 HE2 LYS A 40 3.894 -19.698 -5.632 1.00 0.00 H new ATOM 0 HE3 LYS A 40 4.459 -20.566 -7.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 5.291 -21.541 -5.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.577 -20.920 -5.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.029 -20.080 -4.579 1.00 0.00 H new ATOM 607 N GLU A 41 6.258 -15.955 -1.990 1.00 0.00 N ATOM 608 CA GLU A 41 6.326 -15.852 -0.538 1.00 0.00 C ATOM 609 C GLU A 41 5.993 -14.426 -0.096 1.00 0.00 C ATOM 610 O GLU A 41 5.184 -14.245 0.817 1.00 0.00 O ATOM 611 CB GLU A 41 7.715 -16.271 -0.020 1.00 0.00 C ATOM 612 CG GLU A 41 7.644 -17.453 0.962 1.00 0.00 C ATOM 613 CD GLU A 41 7.402 -18.832 0.309 1.00 0.00 C ATOM 614 OE1 GLU A 41 7.286 -18.935 -0.941 1.00 0.00 O ATOM 615 OE2 GLU A 41 7.399 -19.867 1.014 1.00 0.00 O ATOM 0 H GLU A 41 7.132 -16.249 -2.426 1.00 0.00 H new ATOM 0 HA GLU A 41 5.590 -16.533 -0.109 1.00 0.00 H new ATOM 0 HB2 GLU A 41 8.348 -16.542 -0.865 1.00 0.00 H new ATOM 0 HB3 GLU A 41 8.187 -15.421 0.473 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.576 -17.494 1.526 1.00 0.00 H new ATOM 0 HG3 GLU A 41 6.846 -17.262 1.679 1.00 0.00 H new ATOM 622 N LEU A 42 6.593 -13.413 -0.744 1.00 0.00 N ATOM 623 CA LEU A 42 6.287 -12.020 -0.444 1.00 0.00 C ATOM 624 C LEU A 42 4.801 -11.731 -0.569 1.00 0.00 C ATOM 625 O LEU A 42 4.238 -11.173 0.363 1.00 0.00 O ATOM 626 CB LEU A 42 7.083 -11.023 -1.318 1.00 0.00 C ATOM 627 CG LEU A 42 8.308 -10.326 -0.681 1.00 0.00 C ATOM 628 CD1 LEU A 42 8.736 -10.821 0.701 1.00 0.00 C ATOM 629 CD2 LEU A 42 9.518 -10.418 -1.611 1.00 0.00 C ATOM 0 H LEU A 42 7.291 -13.541 -1.477 1.00 0.00 H new ATOM 0 HA LEU A 42 6.595 -11.873 0.591 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.424 -11.554 -2.206 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.394 -10.248 -1.655 1.00 0.00 H new ATOM 0 HG LEU A 42 7.965 -9.301 -0.538 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.604 -10.254 1.038 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.917 -10.683 1.407 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.993 -11.879 0.645 1.00 0.00 H new ATOM 0 HD21 LEU A 42 10.371 -9.923 -1.148 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.760 -11.466 -1.791 1.00 0.00 H new ATOM 0 HD23 LEU A 42 9.286 -9.931 -2.559 1.00 0.00 H new ATOM 641 N LYS A 43 4.161 -12.070 -1.690 1.00 0.00 N ATOM 642 CA LYS A 43 2.740 -11.793 -1.864 1.00 0.00 C ATOM 643 C LYS A 43 1.915 -12.535 -0.809 1.00 0.00 C ATOM 644 O LYS A 43 0.944 -11.967 -0.312 1.00 0.00 O ATOM 645 CB LYS A 43 2.281 -12.167 -3.283 1.00 0.00 C ATOM 646 CG LYS A 43 2.660 -11.138 -4.371 1.00 0.00 C ATOM 647 CD LYS A 43 2.224 -11.675 -5.743 1.00 0.00 C ATOM 648 CE LYS A 43 2.375 -10.630 -6.858 1.00 0.00 C ATOM 649 NZ LYS A 43 1.870 -11.136 -8.153 1.00 0.00 N ATOM 0 H LYS A 43 4.603 -12.533 -2.484 1.00 0.00 H new ATOM 0 HA LYS A 43 2.580 -10.723 -1.731 1.00 0.00 H new ATOM 0 HB2 LYS A 43 2.712 -13.132 -3.548 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.198 -12.291 -3.280 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.176 -10.182 -4.170 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.735 -10.959 -4.361 1.00 0.00 H new ATOM 0 HD2 LYS A 43 2.818 -12.555 -5.991 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.184 -11.997 -5.690 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.833 -9.725 -6.584 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.425 -10.355 -6.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.988 -10.404 -8.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.404 -11.985 -8.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.862 -11.375 -8.063 1.00 0.00 H new ATOM 663 N GLU A 44 2.304 -13.756 -0.434 1.00 0.00 N ATOM 664 CA GLU A 44 1.584 -14.531 0.567 1.00 0.00 C ATOM 665 C GLU A 44 1.595 -13.801 1.916 1.00 0.00 C ATOM 666 O GLU A 44 0.541 -13.608 2.521 1.00 0.00 O ATOM 667 CB GLU A 44 2.169 -15.957 0.659 1.00 0.00 C ATOM 668 CG GLU A 44 1.168 -16.917 1.325 1.00 0.00 C ATOM 669 CD GLU A 44 1.448 -18.401 1.054 1.00 0.00 C ATOM 670 OE1 GLU A 44 1.195 -18.880 -0.077 1.00 0.00 O ATOM 671 OE2 GLU A 44 1.816 -19.154 1.991 1.00 0.00 O ATOM 0 H GLU A 44 3.123 -14.229 -0.816 1.00 0.00 H new ATOM 0 HA GLU A 44 0.540 -14.631 0.269 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.417 -16.318 -0.339 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.097 -15.938 1.231 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.179 -16.747 2.402 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.164 -16.678 0.975 1.00 0.00 H new ATOM 678 N GLN A 45 2.773 -13.389 2.392 1.00 0.00 N ATOM 679 CA GLN A 45 2.905 -12.704 3.683 1.00 0.00 C ATOM 680 C GLN A 45 2.420 -11.244 3.644 1.00 0.00 C ATOM 681 O GLN A 45 1.796 -10.794 4.603 1.00 0.00 O ATOM 682 CB GLN A 45 4.363 -12.745 4.172 1.00 0.00 C ATOM 683 CG GLN A 45 4.841 -14.144 4.598 1.00 0.00 C ATOM 684 CD GLN A 45 4.206 -14.663 5.891 1.00 0.00 C ATOM 685 OE1 GLN A 45 3.769 -15.808 5.946 1.00 0.00 O ATOM 686 NE2 GLN A 45 4.205 -13.903 6.975 1.00 0.00 N ATOM 0 H GLN A 45 3.656 -13.519 1.899 1.00 0.00 H new ATOM 0 HA GLN A 45 2.262 -13.243 4.379 1.00 0.00 H new ATOM 0 HB2 GLN A 45 5.012 -12.377 3.378 1.00 0.00 H new ATOM 0 HB3 GLN A 45 4.472 -12.063 5.015 1.00 0.00 H new ATOM 0 HG2 GLN A 45 4.627 -14.848 3.794 1.00 0.00 H new ATOM 0 HG3 GLN A 45 5.924 -14.122 4.722 1.00 0.00 H new ATOM 0 HE21 GLN A 45 4.568 -12.951 6.931 1.00 0.00 H new ATOM 0 HE22 GLN A 45 3.841 -14.270 7.855 1.00 0.00 H new ATOM 695 N LEU A 46 2.739 -10.490 2.592 1.00 0.00 N ATOM 696 CA LEU A 46 2.583 -9.034 2.526 1.00 0.00 C ATOM 697 C LEU A 46 1.292 -8.607 1.825 1.00 0.00 C ATOM 698 O LEU A 46 1.013 -7.408 1.784 1.00 0.00 O ATOM 699 CB LEU A 46 3.763 -8.385 1.770 1.00 0.00 C ATOM 700 CG LEU A 46 5.169 -8.524 2.389 1.00 0.00 C ATOM 701 CD1 LEU A 46 6.177 -7.934 1.405 1.00 0.00 C ATOM 702 CD2 LEU A 46 5.218 -7.881 3.769 1.00 0.00 C ATOM 0 H LEU A 46 3.125 -10.886 1.735 1.00 0.00 H new ATOM 0 HA LEU A 46 2.552 -8.697 3.562 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.794 -8.810 0.767 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.548 -7.322 1.660 1.00 0.00 H new ATOM 0 HG LEU A 46 5.425 -9.571 2.552 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.182 -8.019 1.819 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.125 -8.478 0.462 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.944 -6.883 1.232 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.219 -7.991 4.186 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.974 -6.822 3.686 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.496 -8.369 4.424 1.00 0.00 H new ATOM 714 N GLY A 47 0.534 -9.530 1.236 1.00 0.00 N ATOM 715 CA GLY A 47 -0.592 -9.215 0.369 1.00 0.00 C ATOM 716 C GLY A 47 -0.126 -9.068 -1.077 1.00 0.00 C ATOM 717 O GLY A 47 1.015 -8.676 -1.349 1.00 0.00 O ATOM 0 H GLY A 47 0.690 -10.531 1.351 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.343 -10.002 0.437 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -1.067 -8.292 0.700 1.00 0.00 H new ATOM 721 N GLU A 48 -1.017 -9.363 -2.022 1.00 0.00 N ATOM 722 CA GLU A 48 -0.666 -9.605 -3.410 1.00 0.00 C ATOM 723 C GLU A 48 -0.186 -8.344 -4.128 1.00 0.00 C ATOM 724 O GLU A 48 0.554 -8.437 -5.107 1.00 0.00 O ATOM 725 CB GLU A 48 -1.897 -10.181 -4.112 1.00 0.00 C ATOM 726 CG GLU A 48 -1.877 -11.713 -4.139 1.00 0.00 C ATOM 727 CD GLU A 48 -3.028 -12.261 -4.982 1.00 0.00 C ATOM 728 OE1 GLU A 48 -4.195 -12.107 -4.542 1.00 0.00 O ATOM 729 OE2 GLU A 48 -2.749 -12.805 -6.069 1.00 0.00 O ATOM 0 H GLU A 48 -2.017 -9.440 -1.836 1.00 0.00 H new ATOM 0 HA GLU A 48 0.168 -10.306 -3.441 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.798 -9.839 -3.603 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.944 -9.801 -5.132 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.927 -12.061 -4.545 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.950 -12.099 -3.122 1.00 0.00 H new ATOM 736 N GLU A 49 -0.578 -7.159 -3.662 1.00 0.00 N ATOM 737 CA GLU A 49 -0.345 -5.913 -4.378 1.00 0.00 C ATOM 738 C GLU A 49 0.959 -5.236 -3.946 1.00 0.00 C ATOM 739 O GLU A 49 1.039 -4.002 -3.865 1.00 0.00 O ATOM 740 CB GLU A 49 -1.544 -4.970 -4.200 1.00 0.00 C ATOM 741 CG GLU A 49 -2.906 -5.584 -4.549 1.00 0.00 C ATOM 742 CD GLU A 49 -3.921 -4.508 -4.938 1.00 0.00 C ATOM 743 OE1 GLU A 49 -4.004 -3.465 -4.239 1.00 0.00 O ATOM 744 OE2 GLU A 49 -4.634 -4.707 -5.947 1.00 0.00 O ATOM 0 H GLU A 49 -1.067 -7.039 -2.775 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.239 -6.151 -5.436 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.570 -4.630 -3.165 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.389 -4.088 -4.821 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.789 -6.290 -5.371 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.281 -6.149 -3.696 1.00 0.00 H new ATOM 751 N ILE A 50 1.962 -6.028 -3.570 1.00 0.00 N ATOM 752 CA ILE A 50 3.235 -5.504 -3.104 1.00 0.00 C ATOM 753 C ILE A 50 4.066 -4.984 -4.283 1.00 0.00 C ATOM 754 O ILE A 50 4.672 -3.917 -4.198 1.00 0.00 O ATOM 755 CB ILE A 50 3.953 -6.559 -2.233 1.00 0.00 C ATOM 756 CG1 ILE A 50 5.208 -5.960 -1.573 1.00 0.00 C ATOM 757 CG2 ILE A 50 4.305 -7.861 -2.978 1.00 0.00 C ATOM 758 CD1 ILE A 50 4.870 -4.897 -0.520 1.00 0.00 C ATOM 0 H ILE A 50 1.911 -7.047 -3.581 1.00 0.00 H new ATOM 0 HA ILE A 50 3.075 -4.640 -2.459 1.00 0.00 H new ATOM 0 HB ILE A 50 3.233 -6.841 -1.464 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.785 -6.758 -1.106 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.842 -5.517 -2.341 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.806 -8.547 -2.295 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.392 -8.324 -3.352 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.966 -7.634 -3.814 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.791 -4.508 -0.087 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.318 -4.083 -0.989 1.00 0.00 H new ATOM 0 HD13 ILE A 50 4.260 -5.344 0.265 1.00 0.00 H new ATOM 770 N ASP A 51 4.105 -5.710 -5.402 1.00 0.00 N ATOM 771 CA ASP A 51 5.106 -5.519 -6.454 1.00 0.00 C ATOM 772 C ASP A 51 4.917 -4.230 -7.264 1.00 0.00 C ATOM 773 O ASP A 51 5.848 -3.814 -7.956 1.00 0.00 O ATOM 774 CB ASP A 51 5.217 -6.759 -7.355 1.00 0.00 C ATOM 775 CG ASP A 51 4.235 -6.833 -8.521 1.00 0.00 C ATOM 776 OD1 ASP A 51 3.166 -6.202 -8.462 1.00 0.00 O ATOM 777 OD2 ASP A 51 4.597 -7.522 -9.502 1.00 0.00 O ATOM 0 H ASP A 51 3.437 -6.454 -5.605 1.00 0.00 H new ATOM 0 HA ASP A 51 6.059 -5.393 -5.940 1.00 0.00 H new ATOM 0 HB2 ASP A 51 6.230 -6.802 -7.756 1.00 0.00 H new ATOM 0 HB3 ASP A 51 5.082 -7.646 -6.736 1.00 0.00 H new ATOM 782 N SER A 52 3.790 -3.523 -7.117 1.00 0.00 N ATOM 783 CA SER A 52 3.644 -2.177 -7.661 1.00 0.00 C ATOM 784 C SER A 52 4.518 -1.169 -6.905 1.00 0.00 C ATOM 785 O SER A 52 4.945 -0.168 -7.481 1.00 0.00 O ATOM 786 CB SER A 52 2.191 -1.753 -7.672 1.00 0.00 C ATOM 787 OG SER A 52 1.426 -2.657 -8.444 1.00 0.00 O ATOM 0 H SER A 52 2.966 -3.866 -6.623 1.00 0.00 H new ATOM 0 HA SER A 52 3.993 -2.195 -8.694 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.807 -1.718 -6.653 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.101 -0.747 -8.081 1.00 0.00 H new ATOM 0 HG SER A 52 0.487 -2.375 -8.443 1.00 0.00 H new ATOM 793 N LYS A 53 4.819 -1.437 -5.627 1.00 0.00 N ATOM 794 CA LYS A 53 5.509 -0.477 -4.766 1.00 0.00 C ATOM 795 C LYS A 53 7.024 -0.669 -4.864 1.00 0.00 C ATOM 796 O LYS A 53 7.756 0.300 -4.664 1.00 0.00 O ATOM 797 CB LYS A 53 5.043 -0.636 -3.303 1.00 0.00 C ATOM 798 CG LYS A 53 3.600 -0.183 -3.000 1.00 0.00 C ATOM 799 CD LYS A 53 2.503 -0.911 -3.793 1.00 0.00 C ATOM 800 CE LYS A 53 1.126 -0.725 -3.152 1.00 0.00 C ATOM 801 NZ LYS A 53 0.051 -1.392 -3.922 1.00 0.00 N ATOM 0 H LYS A 53 4.592 -2.319 -5.167 1.00 0.00 H new ATOM 0 HA LYS A 53 5.263 0.530 -5.102 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.139 -1.685 -3.024 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.722 -0.072 -2.663 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.409 -0.322 -1.936 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.522 0.885 -3.201 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.482 -0.535 -4.816 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.738 -1.974 -3.849 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.144 -1.123 -2.138 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.906 0.340 -3.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.860 -1.252 -3.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.003 -0.983 -4.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.253 -2.410 -3.991 1.00 0.00 H new ATOM 815 N VAL A 54 7.494 -1.890 -5.131 1.00 0.00 N ATOM 816 CA VAL A 54 8.914 -2.247 -5.130 1.00 0.00 C ATOM 817 C VAL A 54 9.581 -1.782 -6.440 1.00 0.00 C ATOM 818 O VAL A 54 8.918 -1.614 -7.471 1.00 0.00 O ATOM 819 CB VAL A 54 9.025 -3.779 -4.927 1.00 0.00 C ATOM 820 CG1 VAL A 54 10.465 -4.253 -4.691 1.00 0.00 C ATOM 821 CG2 VAL A 54 8.200 -4.287 -3.730 1.00 0.00 C ATOM 0 H VAL A 54 6.884 -2.675 -5.359 1.00 0.00 H new ATOM 0 HA VAL A 54 9.440 -1.746 -4.317 1.00 0.00 H new ATOM 0 HB VAL A 54 8.638 -4.187 -5.861 1.00 0.00 H new ATOM 0 HG11 VAL A 54 10.475 -5.335 -4.556 1.00 0.00 H new ATOM 0 HG12 VAL A 54 11.080 -3.989 -5.551 1.00 0.00 H new ATOM 0 HG13 VAL A 54 10.864 -3.772 -3.798 1.00 0.00 H new ATOM 0 HG21 VAL A 54 8.318 -5.367 -3.639 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.549 -3.805 -2.817 1.00 0.00 H new ATOM 0 HG23 VAL A 54 7.148 -4.049 -3.886 1.00 0.00 H new ATOM 831 N LYS A 55 10.907 -1.621 -6.418 1.00 0.00 N ATOM 832 CA LYS A 55 11.747 -1.448 -7.610 1.00 0.00 C ATOM 833 C LYS A 55 11.983 -2.807 -8.290 1.00 0.00 C ATOM 834 O LYS A 55 11.323 -3.797 -7.974 1.00 0.00 O ATOM 835 CB LYS A 55 13.044 -0.745 -7.181 1.00 0.00 C ATOM 836 CG LYS A 55 12.763 0.733 -6.858 1.00 0.00 C ATOM 837 CD LYS A 55 12.716 1.684 -8.055 1.00 0.00 C ATOM 838 CE LYS A 55 14.112 2.004 -8.581 1.00 0.00 C ATOM 839 NZ LYS A 55 14.086 2.776 -9.839 1.00 0.00 N ATOM 0 H LYS A 55 11.441 -1.607 -5.549 1.00 0.00 H new ATOM 0 HA LYS A 55 11.257 -0.822 -8.356 1.00 0.00 H new ATOM 0 HB2 LYS A 55 13.464 -1.243 -6.307 1.00 0.00 H new ATOM 0 HB3 LYS A 55 13.786 -0.817 -7.976 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.810 0.795 -6.333 1.00 0.00 H new ATOM 0 HG3 LYS A 55 13.530 1.086 -6.169 1.00 0.00 H new ATOM 0 HD2 LYS A 55 12.121 1.236 -8.851 1.00 0.00 H new ATOM 0 HD3 LYS A 55 12.216 2.608 -7.765 1.00 0.00 H new ATOM 0 HE2 LYS A 55 14.660 2.567 -7.826 1.00 0.00 H new ATOM 0 HE3 LYS A 55 14.657 1.074 -8.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 15.060 2.965 -10.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 13.588 2.230 -10.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 13.591 3.677 -9.683 1.00 0.00 H new ATOM 853 N GLY A 56 12.866 -2.854 -9.282 1.00 0.00 N ATOM 854 CA GLY A 56 13.159 -4.043 -10.057 1.00 0.00 C ATOM 855 C GLY A 56 14.001 -4.990 -9.215 1.00 0.00 C ATOM 856 O GLY A 56 15.214 -4.804 -9.123 1.00 0.00 O ATOM 0 H GLY A 56 13.410 -2.041 -9.573 1.00 0.00 H new ATOM 0 HA2 GLY A 56 12.233 -4.532 -10.361 1.00 0.00 H new ATOM 0 HA3 GLY A 56 13.692 -3.776 -10.969 1.00 0.00 H new ATOM 860 N MET A 57 13.362 -5.962 -8.562 1.00 0.00 N ATOM 861 CA MET A 57 14.003 -6.990 -7.737 1.00 0.00 C ATOM 862 C MET A 57 15.110 -7.715 -8.521 1.00 0.00 C ATOM 863 O MET A 57 14.920 -8.039 -9.702 1.00 0.00 O ATOM 864 CB MET A 57 12.907 -7.959 -7.260 1.00 0.00 C ATOM 865 CG MET A 57 13.418 -9.030 -6.293 1.00 0.00 C ATOM 866 SD MET A 57 12.244 -10.353 -5.884 1.00 0.00 S ATOM 867 CE MET A 57 10.963 -9.442 -4.984 1.00 0.00 C ATOM 0 H MET A 57 12.347 -6.059 -8.594 1.00 0.00 H new ATOM 0 HA MET A 57 14.490 -6.537 -6.873 1.00 0.00 H new ATOM 0 HB2 MET A 57 12.116 -7.389 -6.773 1.00 0.00 H new ATOM 0 HB3 MET A 57 12.461 -8.446 -8.127 1.00 0.00 H new ATOM 0 HG2 MET A 57 14.311 -9.483 -6.722 1.00 0.00 H new ATOM 0 HG3 MET A 57 13.722 -8.541 -5.367 1.00 0.00 H new ATOM 0 HE1 MET A 57 10.039 -10.020 -4.982 1.00 0.00 H new ATOM 0 HE2 MET A 57 11.289 -9.275 -3.957 1.00 0.00 H new ATOM 0 HE3 MET A 57 10.790 -8.482 -5.470 1.00 0.00 H new ATOM 877 N VAL A 58 16.242 -7.998 -7.871 1.00 0.00 N ATOM 878 CA VAL A 58 17.422 -8.616 -8.478 1.00 0.00 C ATOM 879 C VAL A 58 17.970 -9.760 -7.622 1.00 0.00 C ATOM 880 O VAL A 58 17.822 -9.768 -6.404 1.00 0.00 O ATOM 881 CB VAL A 58 18.514 -7.560 -8.746 1.00 0.00 C ATOM 882 CG1 VAL A 58 18.178 -6.685 -9.953 1.00 0.00 C ATOM 883 CG2 VAL A 58 18.818 -6.647 -7.550 1.00 0.00 C ATOM 0 H VAL A 58 16.366 -7.797 -6.879 1.00 0.00 H new ATOM 0 HA VAL A 58 17.112 -9.044 -9.431 1.00 0.00 H new ATOM 0 HB VAL A 58 19.408 -8.151 -8.946 1.00 0.00 H new ATOM 0 HG11 VAL A 58 18.973 -5.955 -10.106 1.00 0.00 H new ATOM 0 HG12 VAL A 58 18.084 -7.310 -10.841 1.00 0.00 H new ATOM 0 HG13 VAL A 58 17.237 -6.164 -9.774 1.00 0.00 H new ATOM 0 HG21 VAL A 58 19.596 -5.935 -7.824 1.00 0.00 H new ATOM 0 HG22 VAL A 58 17.915 -6.106 -7.266 1.00 0.00 H new ATOM 0 HG23 VAL A 58 19.159 -7.251 -6.709 1.00 0.00 H new ATOM 893 N PHE A 59 18.609 -10.747 -8.255 1.00 0.00 N ATOM 894 CA PHE A 59 19.212 -11.880 -7.553 1.00 0.00 C ATOM 895 C PHE A 59 20.446 -11.450 -6.749 1.00 0.00 C ATOM 896 O PHE A 59 21.178 -10.539 -7.147 1.00 0.00 O ATOM 897 CB PHE A 59 19.560 -12.979 -8.565 1.00 0.00 C ATOM 898 CG PHE A 59 18.433 -13.967 -8.816 1.00 0.00 C ATOM 899 CD1 PHE A 59 18.290 -15.072 -7.956 1.00 0.00 C ATOM 900 CD2 PHE A 59 17.557 -13.826 -9.913 1.00 0.00 C ATOM 901 CE1 PHE A 59 17.295 -16.031 -8.198 1.00 0.00 C ATOM 902 CE2 PHE A 59 16.568 -14.792 -10.158 1.00 0.00 C ATOM 903 CZ PHE A 59 16.435 -15.894 -9.298 1.00 0.00 C ATOM 0 H PHE A 59 18.722 -10.782 -9.268 1.00 0.00 H new ATOM 0 HA PHE A 59 18.491 -12.274 -6.836 1.00 0.00 H new ATOM 0 HB2 PHE A 59 19.838 -12.513 -9.510 1.00 0.00 H new ATOM 0 HB3 PHE A 59 20.434 -13.524 -8.208 1.00 0.00 H new ATOM 0 HD1 PHE A 59 18.948 -15.182 -7.107 1.00 0.00 H new ATOM 0 HD2 PHE A 59 17.648 -12.971 -10.567 1.00 0.00 H new ATOM 0 HE1 PHE A 59 17.191 -16.877 -7.535 1.00 0.00 H new ATOM 0 HE2 PHE A 59 15.910 -14.687 -11.008 1.00 0.00 H new ATOM 0 HZ PHE A 59 15.672 -16.635 -9.483 1.00 0.00 H new ATOM 913 N LEU A 60 20.702 -12.148 -5.637 1.00 0.00 N ATOM 914 CA LEU A 60 21.936 -12.046 -4.854 1.00 0.00 C ATOM 915 C LEU A 60 22.946 -13.079 -5.357 1.00 0.00 C ATOM 916 O LEU A 60 22.568 -14.033 -6.042 1.00 0.00 O ATOM 917 CB LEU A 60 21.636 -12.309 -3.363 1.00 0.00 C ATOM 918 CG LEU A 60 20.885 -11.158 -2.668 1.00 0.00 C ATOM 919 CD1 LEU A 60 20.411 -11.576 -1.270 1.00 0.00 C ATOM 920 CD2 LEU A 60 21.773 -9.924 -2.505 1.00 0.00 C ATOM 0 H LEU A 60 20.038 -12.817 -5.247 1.00 0.00 H new ATOM 0 HA LEU A 60 22.348 -11.043 -4.967 1.00 0.00 H new ATOM 0 HB2 LEU A 60 21.045 -13.221 -3.276 1.00 0.00 H new ATOM 0 HB3 LEU A 60 22.575 -12.487 -2.839 1.00 0.00 H new ATOM 0 HG LEU A 60 20.033 -10.919 -3.304 1.00 0.00 H new ATOM 0 HD11 LEU A 60 19.884 -10.745 -0.801 1.00 0.00 H new ATOM 0 HD12 LEU A 60 19.740 -12.431 -1.354 1.00 0.00 H new ATOM 0 HD13 LEU A 60 21.272 -11.849 -0.660 1.00 0.00 H new ATOM 0 HD21 LEU A 60 21.209 -9.133 -2.011 1.00 0.00 H new ATOM 0 HD22 LEU A 60 22.644 -10.180 -1.902 1.00 0.00 H new ATOM 0 HD23 LEU A 60 22.100 -9.579 -3.486 1.00 0.00 H new ATOM 932 N LYS A 61 24.210 -12.957 -4.938 1.00 0.00 N ATOM 933 CA LYS A 61 25.241 -13.978 -5.155 1.00 0.00 C ATOM 934 C LYS A 61 24.734 -15.323 -4.638 1.00 0.00 C ATOM 935 O LYS A 61 24.252 -15.403 -3.504 1.00 0.00 O ATOM 936 CB LYS A 61 26.553 -13.581 -4.442 1.00 0.00 C ATOM 937 CG LYS A 61 27.751 -13.436 -5.391 1.00 0.00 C ATOM 938 CD LYS A 61 28.286 -14.743 -5.998 1.00 0.00 C ATOM 939 CE LYS A 61 28.824 -15.705 -4.932 1.00 0.00 C ATOM 940 NZ LYS A 61 29.562 -16.832 -5.531 1.00 0.00 N ATOM 0 H LYS A 61 24.550 -12.138 -4.433 1.00 0.00 H new ATOM 0 HA LYS A 61 25.450 -14.059 -6.222 1.00 0.00 H new ATOM 0 HB2 LYS A 61 26.400 -12.638 -3.917 1.00 0.00 H new ATOM 0 HB3 LYS A 61 26.787 -14.331 -3.687 1.00 0.00 H new ATOM 0 HG2 LYS A 61 27.467 -12.769 -6.205 1.00 0.00 H new ATOM 0 HG3 LYS A 61 28.563 -12.950 -4.849 1.00 0.00 H new ATOM 0 HD2 LYS A 61 27.489 -15.233 -6.557 1.00 0.00 H new ATOM 0 HD3 LYS A 61 29.079 -14.512 -6.709 1.00 0.00 H new ATOM 0 HE2 LYS A 61 29.480 -15.162 -4.251 1.00 0.00 H new ATOM 0 HE3 LYS A 61 27.995 -16.089 -4.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 29.909 -17.459 -4.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 28.930 -17.365 -6.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 30.368 -16.468 -6.077 1.00 0.00 H new ATOM 954 N GLY A 62 24.886 -16.370 -5.445 1.00 0.00 N ATOM 955 CA GLY A 62 24.251 -17.661 -5.228 1.00 0.00 C ATOM 956 C GLY A 62 23.037 -17.778 -6.138 1.00 0.00 C ATOM 957 O GLY A 62 22.858 -16.975 -7.058 1.00 0.00 O ATOM 0 H GLY A 62 25.466 -16.341 -6.284 1.00 0.00 H new ATOM 0 HA2 GLY A 62 24.956 -18.466 -5.436 1.00 0.00 H new ATOM 0 HA3 GLY A 62 23.950 -17.762 -4.185 1.00 0.00 H new ATOM 961 N LYS A 63 22.184 -18.764 -5.863 1.00 0.00 N ATOM 962 CA LYS A 63 20.792 -18.789 -6.323 1.00 0.00 C ATOM 963 C LYS A 63 19.853 -19.009 -5.127 1.00 0.00 C ATOM 964 O LYS A 63 18.760 -19.526 -5.306 1.00 0.00 O ATOM 965 CB LYS A 63 20.605 -19.836 -7.443 1.00 0.00 C ATOM 966 CG LYS A 63 21.341 -19.471 -8.745 1.00 0.00 C ATOM 967 CD LYS A 63 21.076 -20.455 -9.900 1.00 0.00 C ATOM 968 CE LYS A 63 19.664 -20.284 -10.478 1.00 0.00 C ATOM 969 NZ LYS A 63 19.419 -21.156 -11.650 1.00 0.00 N ATOM 0 H LYS A 63 22.442 -19.580 -5.307 1.00 0.00 H new ATOM 0 HA LYS A 63 20.532 -17.826 -6.763 1.00 0.00 H new ATOM 0 HB2 LYS A 63 20.963 -20.803 -7.090 1.00 0.00 H new ATOM 0 HB3 LYS A 63 19.541 -19.947 -7.654 1.00 0.00 H new ATOM 0 HG2 LYS A 63 21.039 -18.470 -9.055 1.00 0.00 H new ATOM 0 HG3 LYS A 63 22.413 -19.434 -8.549 1.00 0.00 H new ATOM 0 HD2 LYS A 63 21.813 -20.299 -10.688 1.00 0.00 H new ATOM 0 HD3 LYS A 63 21.202 -21.477 -9.543 1.00 0.00 H new ATOM 0 HE2 LYS A 63 18.929 -20.507 -9.704 1.00 0.00 H new ATOM 0 HE3 LYS A 63 19.517 -19.243 -10.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 18.492 -20.930 -12.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 20.162 -21.000 -12.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 19.431 -22.152 -11.350 1.00 0.00 H new ATOM 983 N LEU A 64 20.266 -18.668 -3.900 1.00 0.00 N ATOM 984 CA LEU A 64 19.536 -18.938 -2.643 1.00 0.00 C ATOM 985 C LEU A 64 19.056 -17.633 -1.997 1.00 0.00 C ATOM 986 O LEU A 64 18.614 -17.619 -0.847 1.00 0.00 O ATOM 987 CB LEU A 64 20.411 -19.727 -1.644 1.00 0.00 C ATOM 988 CG LEU A 64 21.282 -20.870 -2.200 1.00 0.00 C ATOM 989 CD1 LEU A 64 22.032 -21.550 -1.055 1.00 0.00 C ATOM 990 CD2 LEU A 64 20.481 -21.929 -2.955 1.00 0.00 C ATOM 0 H LEU A 64 21.148 -18.179 -3.744 1.00 0.00 H new ATOM 0 HA LEU A 64 18.667 -19.546 -2.896 1.00 0.00 H new ATOM 0 HB2 LEU A 64 21.069 -19.018 -1.142 1.00 0.00 H new ATOM 0 HB3 LEU A 64 19.754 -20.146 -0.882 1.00 0.00 H new ATOM 0 HG LEU A 64 21.972 -20.413 -2.909 1.00 0.00 H new ATOM 0 HD11 LEU A 64 22.647 -22.358 -1.452 1.00 0.00 H new ATOM 0 HD12 LEU A 64 22.669 -20.821 -0.554 1.00 0.00 H new ATOM 0 HD13 LEU A 64 21.315 -21.957 -0.341 1.00 0.00 H new ATOM 0 HD21 LEU A 64 21.155 -22.704 -3.320 1.00 0.00 H new ATOM 0 HD22 LEU A 64 19.745 -22.374 -2.286 1.00 0.00 H new ATOM 0 HD23 LEU A 64 19.971 -21.466 -3.799 1.00 0.00 H new ATOM 1002 N GLY A 65 19.159 -16.512 -2.704 1.00 0.00 N ATOM 1003 CA GLY A 65 18.729 -15.221 -2.199 1.00 0.00 C ATOM 1004 C GLY A 65 18.525 -14.212 -3.317 1.00 0.00 C ATOM 1005 O GLY A 65 18.978 -14.401 -4.453 1.00 0.00 O ATOM 0 H GLY A 65 19.545 -16.478 -3.647 1.00 0.00 H new ATOM 0 HA2 GLY A 65 17.798 -15.340 -1.644 1.00 0.00 H new ATOM 0 HA3 GLY A 65 19.472 -14.840 -1.498 1.00 0.00 H new ATOM 1009 N VAL A 66 17.834 -13.132 -2.995 1.00 0.00 N ATOM 1010 CA VAL A 66 17.407 -12.083 -3.905 1.00 0.00 C ATOM 1011 C VAL A 66 17.263 -10.808 -3.054 1.00 0.00 C ATOM 1012 O VAL A 66 17.230 -10.891 -1.824 1.00 0.00 O ATOM 1013 CB VAL A 66 16.126 -12.596 -4.609 1.00 0.00 C ATOM 1014 CG1 VAL A 66 14.958 -12.763 -3.642 1.00 0.00 C ATOM 1015 CG2 VAL A 66 15.653 -11.782 -5.807 1.00 0.00 C ATOM 0 H VAL A 66 17.539 -12.954 -2.035 1.00 0.00 H new ATOM 0 HA VAL A 66 18.101 -11.834 -4.708 1.00 0.00 H new ATOM 0 HB VAL A 66 16.445 -13.564 -4.996 1.00 0.00 H new ATOM 0 HG11 VAL A 66 14.085 -13.124 -4.185 1.00 0.00 H new ATOM 0 HG12 VAL A 66 15.227 -13.481 -2.868 1.00 0.00 H new ATOM 0 HG13 VAL A 66 14.727 -11.803 -3.181 1.00 0.00 H new ATOM 0 HG21 VAL A 66 14.750 -12.233 -6.220 1.00 0.00 H new ATOM 0 HG22 VAL A 66 15.437 -10.761 -5.491 1.00 0.00 H new ATOM 0 HG23 VAL A 66 16.433 -11.769 -6.569 1.00 0.00 H new ATOM 1025 N CYS A 67 17.233 -9.625 -3.654 1.00 0.00 N ATOM 1026 CA CYS A 67 17.124 -8.359 -2.946 1.00 0.00 C ATOM 1027 C CYS A 67 16.341 -7.362 -3.794 1.00 0.00 C ATOM 1028 O CYS A 67 16.104 -7.594 -4.986 1.00 0.00 O ATOM 1029 CB CYS A 67 18.528 -7.843 -2.585 1.00 0.00 C ATOM 1030 SG CYS A 67 19.622 -7.757 -4.032 1.00 0.00 S ATOM 0 H CYS A 67 17.285 -9.518 -4.667 1.00 0.00 H new ATOM 0 HA CYS A 67 16.577 -8.496 -2.013 1.00 0.00 H new ATOM 0 HB2 CYS A 67 18.445 -6.853 -2.136 1.00 0.00 H new ATOM 0 HB3 CYS A 67 18.972 -8.498 -1.835 1.00 0.00 H new ATOM 0 HG CYS A 67 20.789 -7.314 -3.668 1.00 0.00 H new ATOM 1036 N PHE A 68 15.932 -6.257 -3.177 1.00 0.00 N ATOM 1037 CA PHE A 68 15.219 -5.178 -3.848 1.00 0.00 C ATOM 1038 C PHE A 68 15.295 -3.899 -3.025 1.00 0.00 C ATOM 1039 O PHE A 68 15.378 -3.968 -1.797 1.00 0.00 O ATOM 1040 CB PHE A 68 13.751 -5.576 -4.052 1.00 0.00 C ATOM 1041 CG PHE A 68 13.044 -6.050 -2.792 1.00 0.00 C ATOM 1042 CD1 PHE A 68 12.542 -5.131 -1.855 1.00 0.00 C ATOM 1043 CD2 PHE A 68 12.962 -7.423 -2.515 1.00 0.00 C ATOM 1044 CE1 PHE A 68 11.956 -5.580 -0.655 1.00 0.00 C ATOM 1045 CE2 PHE A 68 12.377 -7.869 -1.320 1.00 0.00 C ATOM 1046 CZ PHE A 68 11.878 -6.954 -0.379 1.00 0.00 C ATOM 0 H PHE A 68 16.089 -6.085 -2.184 1.00 0.00 H new ATOM 0 HA PHE A 68 15.685 -4.999 -4.817 1.00 0.00 H new ATOM 0 HB2 PHE A 68 13.209 -4.721 -4.457 1.00 0.00 H new ATOM 0 HB3 PHE A 68 13.703 -6.368 -4.800 1.00 0.00 H new ATOM 0 HD1 PHE A 68 12.606 -4.072 -2.056 1.00 0.00 H new ATOM 0 HD2 PHE A 68 13.350 -8.139 -3.224 1.00 0.00 H new ATOM 0 HE1 PHE A 68 11.566 -4.865 0.054 1.00 0.00 H new ATOM 0 HE2 PHE A 68 12.310 -8.929 -1.122 1.00 0.00 H new ATOM 0 HZ PHE A 68 11.440 -7.303 0.545 1.00 0.00 H new ATOM 1056 N ASP A 69 15.178 -2.744 -3.681 1.00 0.00 N ATOM 1057 CA ASP A 69 14.959 -1.460 -3.021 1.00 0.00 C ATOM 1058 C ASP A 69 13.470 -1.377 -2.689 1.00 0.00 C ATOM 1059 O ASP A 69 12.636 -1.665 -3.559 1.00 0.00 O ATOM 1060 CB ASP A 69 15.318 -0.278 -3.935 1.00 0.00 C ATOM 1061 CG ASP A 69 16.774 -0.214 -4.394 1.00 0.00 C ATOM 1062 OD1 ASP A 69 17.073 -0.807 -5.467 1.00 0.00 O ATOM 1063 OD2 ASP A 69 17.574 0.500 -3.768 1.00 0.00 O ATOM 0 H ASP A 69 15.234 -2.675 -4.697 1.00 0.00 H new ATOM 0 HA ASP A 69 15.591 -1.400 -2.135 1.00 0.00 H new ATOM 0 HB2 ASP A 69 14.679 -0.318 -4.817 1.00 0.00 H new ATOM 0 HB3 ASP A 69 15.080 0.648 -3.411 1.00 0.00 H new ATOM 1068 N VAL A 70 13.092 -0.878 -1.510 1.00 0.00 N ATOM 1069 CA VAL A 70 11.711 -0.482 -1.197 1.00 0.00 C ATOM 1070 C VAL A 70 11.626 0.987 -0.753 1.00 0.00 C ATOM 1071 O VAL A 70 12.593 1.500 -0.187 1.00 0.00 O ATOM 1072 CB VAL A 70 11.040 -1.440 -0.196 1.00 0.00 C ATOM 1073 CG1 VAL A 70 10.224 -2.488 -0.968 1.00 0.00 C ATOM 1074 CG2 VAL A 70 12.042 -2.125 0.735 1.00 0.00 C ATOM 0 H VAL A 70 13.740 -0.735 -0.736 1.00 0.00 H new ATOM 0 HA VAL A 70 11.140 -0.564 -2.122 1.00 0.00 H new ATOM 0 HB VAL A 70 10.385 -0.846 0.441 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.747 -3.169 -0.263 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.460 -1.988 -1.563 1.00 0.00 H new ATOM 0 HG13 VAL A 70 10.885 -3.052 -1.626 1.00 0.00 H new ATOM 0 HG21 VAL A 70 11.510 -2.788 1.418 1.00 0.00 H new ATOM 0 HG22 VAL A 70 12.750 -2.706 0.144 1.00 0.00 H new ATOM 0 HG23 VAL A 70 12.581 -1.370 1.308 1.00 0.00 H new ATOM 1084 N PRO A 71 10.487 1.672 -0.998 1.00 0.00 N ATOM 1085 CA PRO A 71 10.298 3.073 -0.634 1.00 0.00 C ATOM 1086 C PRO A 71 10.387 3.232 0.887 1.00 0.00 C ATOM 1087 O PRO A 71 9.739 2.471 1.601 1.00 0.00 O ATOM 1088 CB PRO A 71 8.916 3.475 -1.150 1.00 0.00 C ATOM 1089 CG PRO A 71 8.270 2.231 -1.749 1.00 0.00 C ATOM 1090 CD PRO A 71 9.306 1.124 -1.655 1.00 0.00 C ATOM 0 HA PRO A 71 11.067 3.710 -1.070 1.00 0.00 H new ATOM 0 HB2 PRO A 71 8.305 3.872 -0.339 1.00 0.00 H new ATOM 0 HB3 PRO A 71 9.001 4.262 -1.900 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.364 1.963 -1.205 1.00 0.00 H new ATOM 0 HG3 PRO A 71 7.980 2.405 -2.785 1.00 0.00 H new ATOM 0 HD2 PRO A 71 8.912 0.279 -1.090 1.00 0.00 H new ATOM 0 HD3 PRO A 71 9.559 0.753 -2.648 1.00 0.00 H new ATOM 1098 N THR A 72 11.123 4.217 1.398 1.00 0.00 N ATOM 1099 CA THR A 72 11.451 4.341 2.821 1.00 0.00 C ATOM 1100 C THR A 72 10.205 4.439 3.727 1.00 0.00 C ATOM 1101 O THR A 72 10.242 3.981 4.864 1.00 0.00 O ATOM 1102 CB THR A 72 12.401 5.545 2.978 1.00 0.00 C ATOM 1103 OG1 THR A 72 13.519 5.383 2.136 1.00 0.00 O ATOM 1104 CG2 THR A 72 12.938 5.778 4.389 1.00 0.00 C ATOM 0 H THR A 72 11.516 4.965 0.827 1.00 0.00 H new ATOM 0 HA THR A 72 11.948 3.431 3.159 1.00 0.00 H new ATOM 0 HB THR A 72 11.787 6.408 2.718 1.00 0.00 H new ATOM 0 HG1 THR A 72 14.119 6.151 2.238 1.00 0.00 H new ATOM 0 HG21 THR A 72 13.595 6.648 4.389 1.00 0.00 H new ATOM 0 HG22 THR A 72 12.106 5.952 5.071 1.00 0.00 H new ATOM 0 HG23 THR A 72 13.497 4.901 4.715 1.00 0.00 H new ATOM 1112 N ALA A 73 9.079 4.981 3.241 1.00 0.00 N ATOM 1113 CA ALA A 73 7.848 5.019 4.037 1.00 0.00 C ATOM 1114 C ALA A 73 7.207 3.626 4.126 1.00 0.00 C ATOM 1115 O ALA A 73 6.739 3.206 5.190 1.00 0.00 O ATOM 1116 CB ALA A 73 6.877 6.023 3.412 1.00 0.00 C ATOM 0 H ALA A 73 8.997 5.394 2.312 1.00 0.00 H new ATOM 0 HA ALA A 73 8.089 5.333 5.052 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.959 6.056 3.999 1.00 0.00 H new ATOM 0 HB2 ALA A 73 7.335 7.012 3.399 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.644 5.717 2.392 1.00 0.00 H new ATOM 1122 N SER A 74 7.200 2.910 3.002 1.00 0.00 N ATOM 1123 CA SER A 74 6.676 1.570 2.813 1.00 0.00 C ATOM 1124 C SER A 74 7.529 0.531 3.541 1.00 0.00 C ATOM 1125 O SER A 74 6.978 -0.433 4.059 1.00 0.00 O ATOM 1126 CB SER A 74 6.683 1.322 1.308 1.00 0.00 C ATOM 1127 OG SER A 74 5.452 1.695 0.721 1.00 0.00 O ATOM 0 H SER A 74 7.592 3.286 2.138 1.00 0.00 H new ATOM 0 HA SER A 74 5.671 1.482 3.227 1.00 0.00 H new ATOM 0 HB2 SER A 74 7.494 1.887 0.848 1.00 0.00 H new ATOM 0 HB3 SER A 74 6.877 0.268 1.112 1.00 0.00 H new ATOM 0 HG SER A 74 5.424 1.382 -0.207 1.00 0.00 H new ATOM 1133 N VAL A 75 8.843 0.754 3.659 1.00 0.00 N ATOM 1134 CA VAL A 75 9.771 -0.026 4.490 1.00 0.00 C ATOM 1135 C VAL A 75 9.216 -0.275 5.897 1.00 0.00 C ATOM 1136 O VAL A 75 9.458 -1.345 6.455 1.00 0.00 O ATOM 1137 CB VAL A 75 11.154 0.661 4.496 1.00 0.00 C ATOM 1138 CG1 VAL A 75 12.107 0.184 5.598 1.00 0.00 C ATOM 1139 CG2 VAL A 75 11.843 0.431 3.148 1.00 0.00 C ATOM 0 H VAL A 75 9.308 1.512 3.159 1.00 0.00 H new ATOM 0 HA VAL A 75 9.890 -1.018 4.055 1.00 0.00 H new ATOM 0 HB VAL A 75 10.949 1.714 4.688 1.00 0.00 H new ATOM 0 HG11 VAL A 75 13.051 0.723 5.521 1.00 0.00 H new ATOM 0 HG12 VAL A 75 11.659 0.374 6.574 1.00 0.00 H new ATOM 0 HG13 VAL A 75 12.289 -0.885 5.484 1.00 0.00 H new ATOM 0 HG21 VAL A 75 12.819 0.916 3.151 1.00 0.00 H new ATOM 0 HG22 VAL A 75 11.969 -0.639 2.982 1.00 0.00 H new ATOM 0 HG23 VAL A 75 11.231 0.852 2.350 1.00 0.00 H new ATOM 1149 N THR A 76 8.439 0.645 6.469 1.00 0.00 N ATOM 1150 CA THR A 76 7.810 0.415 7.760 1.00 0.00 C ATOM 1151 C THR A 76 6.889 -0.814 7.711 1.00 0.00 C ATOM 1152 O THR A 76 6.932 -1.670 8.588 1.00 0.00 O ATOM 1153 CB THR A 76 7.044 1.674 8.213 1.00 0.00 C ATOM 1154 OG1 THR A 76 7.689 2.875 7.809 1.00 0.00 O ATOM 1155 CG2 THR A 76 6.909 1.690 9.735 1.00 0.00 C ATOM 0 H THR A 76 8.233 1.554 6.055 1.00 0.00 H new ATOM 0 HA THR A 76 8.589 0.210 8.494 1.00 0.00 H new ATOM 0 HB THR A 76 6.064 1.630 7.738 1.00 0.00 H new ATOM 0 HG1 THR A 76 7.391 3.119 6.908 1.00 0.00 H new ATOM 0 HG21 THR A 76 6.366 2.584 10.043 1.00 0.00 H new ATOM 0 HG22 THR A 76 6.364 0.804 10.061 1.00 0.00 H new ATOM 0 HG23 THR A 76 7.900 1.693 10.188 1.00 0.00 H new ATOM 1163 N GLU A 77 6.059 -0.897 6.675 1.00 0.00 N ATOM 1164 CA GLU A 77 4.967 -1.844 6.528 1.00 0.00 C ATOM 1165 C GLU A 77 5.496 -3.248 6.230 1.00 0.00 C ATOM 1166 O GLU A 77 5.113 -4.199 6.902 1.00 0.00 O ATOM 1167 CB GLU A 77 4.071 -1.307 5.411 1.00 0.00 C ATOM 1168 CG GLU A 77 2.755 -2.068 5.241 1.00 0.00 C ATOM 1169 CD GLU A 77 1.908 -1.380 4.173 1.00 0.00 C ATOM 1170 OE1 GLU A 77 2.440 -1.078 3.072 1.00 0.00 O ATOM 1171 OE2 GLU A 77 0.731 -1.069 4.443 1.00 0.00 O ATOM 0 H GLU A 77 6.138 -0.270 5.874 1.00 0.00 H new ATOM 0 HA GLU A 77 4.394 -1.939 7.451 1.00 0.00 H new ATOM 0 HB2 GLU A 77 3.848 -0.259 5.612 1.00 0.00 H new ATOM 0 HB3 GLU A 77 4.622 -1.342 4.471 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.953 -3.101 4.955 1.00 0.00 H new ATOM 0 HG3 GLU A 77 2.214 -2.098 6.187 1.00 0.00 H new ATOM 1178 N ILE A 78 6.422 -3.407 5.278 1.00 0.00 N ATOM 1179 CA ILE A 78 6.962 -4.732 4.924 1.00 0.00 C ATOM 1180 C ILE A 78 7.599 -5.389 6.154 1.00 0.00 C ATOM 1181 O ILE A 78 7.457 -6.593 6.365 1.00 0.00 O ATOM 1182 CB ILE A 78 7.993 -4.616 3.781 1.00 0.00 C ATOM 1183 CG1 ILE A 78 7.421 -3.904 2.534 1.00 0.00 C ATOM 1184 CG2 ILE A 78 8.528 -5.995 3.360 1.00 0.00 C ATOM 1185 CD1 ILE A 78 8.347 -2.768 2.107 1.00 0.00 C ATOM 0 H ILE A 78 6.815 -2.637 4.737 1.00 0.00 H new ATOM 0 HA ILE A 78 6.140 -5.358 4.578 1.00 0.00 H new ATOM 0 HB ILE A 78 8.807 -4.013 4.182 1.00 0.00 H new ATOM 0 HG12 ILE A 78 7.308 -4.618 1.718 1.00 0.00 H new ATOM 0 HG13 ILE A 78 6.428 -3.511 2.753 1.00 0.00 H new ATOM 0 HG21 ILE A 78 9.251 -5.874 2.553 1.00 0.00 H new ATOM 0 HG22 ILE A 78 9.011 -6.473 4.212 1.00 0.00 H new ATOM 0 HG23 ILE A 78 7.701 -6.616 3.016 1.00 0.00 H new ATOM 0 HD11 ILE A 78 7.934 -2.273 1.228 1.00 0.00 H new ATOM 0 HD12 ILE A 78 8.438 -2.047 2.920 1.00 0.00 H new ATOM 0 HD13 ILE A 78 9.331 -3.171 1.868 1.00 0.00 H new ATOM 1197 N GLN A 79 8.313 -4.599 6.956 1.00 0.00 N ATOM 1198 CA GLN A 79 9.017 -5.077 8.138 1.00 0.00 C ATOM 1199 C GLN A 79 8.081 -5.233 9.346 1.00 0.00 C ATOM 1200 O GLN A 79 8.499 -5.798 10.362 1.00 0.00 O ATOM 1201 CB GLN A 79 10.183 -4.129 8.417 1.00 0.00 C ATOM 1202 CG GLN A 79 11.132 -4.090 7.209 1.00 0.00 C ATOM 1203 CD GLN A 79 12.536 -3.692 7.626 1.00 0.00 C ATOM 1204 OE1 GLN A 79 13.490 -4.590 7.456 1.00 0.00 O flip ATOM 1205 NE2 GLN A 79 12.754 -2.602 8.155 1.00 0.00 N flip ATOM 0 H GLN A 79 8.418 -3.597 6.798 1.00 0.00 H new ATOM 0 HA GLN A 79 9.407 -6.078 7.952 1.00 0.00 H new ATOM 0 HB2 GLN A 79 9.806 -3.128 8.626 1.00 0.00 H new ATOM 0 HB3 GLN A 79 10.724 -4.457 9.304 1.00 0.00 H new ATOM 0 HG2 GLN A 79 11.156 -5.069 6.730 1.00 0.00 H new ATOM 0 HG3 GLN A 79 10.755 -3.383 6.470 1.00 0.00 H new ATOM 0 HE21 GLN A 79 11.995 -1.931 8.271 1.00 0.00 H new ATOM 0 HE22 GLN A 79 13.694 -2.370 8.477 1.00 0.00 H new ATOM 1214 N GLU A 80 6.837 -4.755 9.242 1.00 0.00 N ATOM 1215 CA GLU A 80 5.736 -5.015 10.160 1.00 0.00 C ATOM 1216 C GLU A 80 4.895 -6.222 9.721 1.00 0.00 C ATOM 1217 O GLU A 80 4.277 -6.877 10.563 1.00 0.00 O ATOM 1218 CB GLU A 80 4.807 -3.794 10.210 1.00 0.00 C ATOM 1219 CG GLU A 80 5.061 -2.910 11.430 1.00 0.00 C ATOM 1220 CD GLU A 80 3.888 -1.980 11.767 1.00 0.00 C ATOM 1221 OE1 GLU A 80 2.820 -1.986 11.117 1.00 0.00 O ATOM 1222 OE2 GLU A 80 4.013 -1.235 12.766 1.00 0.00 O ATOM 0 H GLU A 80 6.562 -4.145 8.473 1.00 0.00 H new ATOM 0 HA GLU A 80 6.175 -5.222 11.136 1.00 0.00 H new ATOM 0 HB2 GLU A 80 4.941 -3.203 9.304 1.00 0.00 H new ATOM 0 HB3 GLU A 80 3.771 -4.131 10.220 1.00 0.00 H new ATOM 0 HG2 GLU A 80 5.270 -3.544 12.291 1.00 0.00 H new ATOM 0 HG3 GLU A 80 5.952 -2.308 11.253 1.00 0.00 H new ATOM 1229 N LYS A 81 4.826 -6.505 8.421 1.00 0.00 N ATOM 1230 CA LYS A 81 4.027 -7.593 7.864 1.00 0.00 C ATOM 1231 C LYS A 81 4.865 -8.848 7.631 1.00 0.00 C ATOM 1232 O LYS A 81 4.310 -9.854 7.186 1.00 0.00 O ATOM 1233 CB LYS A 81 3.333 -7.120 6.580 1.00 0.00 C ATOM 1234 CG LYS A 81 2.224 -6.083 6.836 1.00 0.00 C ATOM 1235 CD LYS A 81 0.992 -6.319 5.952 1.00 0.00 C ATOM 1236 CE LYS A 81 0.234 -7.569 6.413 1.00 0.00 C ATOM 1237 NZ LYS A 81 -1.097 -7.680 5.791 1.00 0.00 N ATOM 0 H LYS A 81 5.334 -5.974 7.713 1.00 0.00 H new ATOM 0 HA LYS A 81 3.260 -7.869 8.588 1.00 0.00 H new ATOM 0 HB2 LYS A 81 4.077 -6.689 5.910 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.905 -7.982 6.068 1.00 0.00 H new ATOM 0 HG2 LYS A 81 1.929 -6.121 7.885 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.615 -5.083 6.651 1.00 0.00 H new ATOM 0 HD2 LYS A 81 0.334 -5.451 5.995 1.00 0.00 H new ATOM 0 HD3 LYS A 81 1.299 -6.435 4.913 1.00 0.00 H new ATOM 0 HE2 LYS A 81 0.820 -8.456 6.171 1.00 0.00 H new ATOM 0 HE3 LYS A 81 0.125 -7.545 7.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -1.570 -8.540 6.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -1.668 -6.848 6.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -0.994 -7.730 4.757 1.00 0.00 H new ATOM 1251 N TRP A 82 6.167 -8.828 7.924 1.00 0.00 N ATOM 1252 CA TRP A 82 7.015 -9.998 7.869 1.00 0.00 C ATOM 1253 C TRP A 82 7.742 -10.185 9.197 1.00 0.00 C ATOM 1254 O TRP A 82 8.625 -9.397 9.545 1.00 0.00 O ATOM 1255 CB TRP A 82 7.962 -9.925 6.682 1.00 0.00 C ATOM 1256 CG TRP A 82 8.634 -11.236 6.441 1.00 0.00 C ATOM 1257 CD1 TRP A 82 9.525 -11.810 7.279 1.00 0.00 C ATOM 1258 CD2 TRP A 82 8.483 -12.155 5.319 1.00 0.00 C ATOM 1259 NE1 TRP A 82 9.902 -13.035 6.781 1.00 0.00 N ATOM 1260 CE2 TRP A 82 9.329 -13.274 5.556 1.00 0.00 C ATOM 1261 CE3 TRP A 82 7.773 -12.136 4.102 1.00 0.00 C ATOM 1262 CZ2 TRP A 82 9.532 -14.275 4.608 1.00 0.00 C ATOM 1263 CZ3 TRP A 82 7.959 -13.149 3.143 1.00 0.00 C ATOM 1264 CH2 TRP A 82 8.869 -14.189 3.377 1.00 0.00 C ATOM 0 H TRP A 82 6.659 -7.981 8.209 1.00 0.00 H new ATOM 0 HA TRP A 82 6.397 -10.883 7.715 1.00 0.00 H new ATOM 0 HB2 TRP A 82 7.409 -9.629 5.791 1.00 0.00 H new ATOM 0 HB3 TRP A 82 8.714 -9.156 6.861 1.00 0.00 H new ATOM 0 HD1 TRP A 82 9.886 -11.374 8.199 1.00 0.00 H new ATOM 0 HE1 TRP A 82 10.527 -13.683 7.260 1.00 0.00 H new ATOM 0 HE3 TRP A 82 7.078 -11.334 3.903 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 10.191 -15.105 4.819 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 7.397 -13.125 2.221 1.00 0.00 H new ATOM 0 HH2 TRP A 82 9.059 -14.924 2.609 1.00 0.00 H new ATOM 1275 N HIS A 83 7.460 -11.286 9.889 1.00 0.00 N ATOM 1276 CA HIS A 83 8.233 -11.779 11.025 1.00 0.00 C ATOM 1277 C HIS A 83 8.543 -13.268 10.809 1.00 0.00 C ATOM 1278 O HIS A 83 7.853 -14.143 11.324 1.00 0.00 O ATOM 1279 CB HIS A 83 7.489 -11.513 12.341 1.00 0.00 C ATOM 1280 CG HIS A 83 7.731 -10.170 12.988 1.00 0.00 C ATOM 1281 ND1 HIS A 83 8.907 -9.443 12.991 1.00 0.00 N ATOM 1282 CD2 HIS A 83 6.851 -9.537 13.824 1.00 0.00 C ATOM 1283 CE1 HIS A 83 8.740 -8.388 13.806 1.00 0.00 C ATOM 1284 NE2 HIS A 83 7.506 -8.408 14.339 1.00 0.00 N ATOM 0 H HIS A 83 6.660 -11.879 9.667 1.00 0.00 H new ATOM 0 HA HIS A 83 9.180 -11.245 11.097 1.00 0.00 H new ATOM 0 HB2 HIS A 83 6.420 -11.616 12.156 1.00 0.00 H new ATOM 0 HB3 HIS A 83 7.765 -12.290 13.053 1.00 0.00 H new ATOM 0 HD2 HIS A 83 5.841 -9.848 14.046 1.00 0.00 H new ATOM 0 HE1 HIS A 83 9.488 -7.634 14.004 1.00 0.00 H new ATOM 0 HE2 HIS A 83 7.119 -7.730 14.995 1.00 0.00 H new ATOM 1292 N ASP A 84 9.605 -13.526 10.036 1.00 0.00 N ATOM 1293 CA ASP A 84 10.157 -14.828 9.634 1.00 0.00 C ATOM 1294 C ASP A 84 9.158 -15.783 8.954 1.00 0.00 C ATOM 1295 O ASP A 84 7.954 -15.525 8.908 1.00 0.00 O ATOM 1296 CB ASP A 84 11.035 -15.434 10.745 1.00 0.00 C ATOM 1297 CG ASP A 84 10.456 -16.658 11.452 1.00 0.00 C ATOM 1298 OD1 ASP A 84 9.658 -16.502 12.409 1.00 0.00 O ATOM 1299 OD2 ASP A 84 10.848 -17.785 11.082 1.00 0.00 O ATOM 0 H ASP A 84 10.150 -12.760 9.640 1.00 0.00 H new ATOM 0 HA ASP A 84 10.838 -14.636 8.805 1.00 0.00 H new ATOM 0 HB2 ASP A 84 11.998 -15.708 10.313 1.00 0.00 H new ATOM 0 HB3 ASP A 84 11.228 -14.663 11.491 1.00 0.00 H new ATOM 1304 N SER A 85 9.666 -16.837 8.315 1.00 0.00 N ATOM 1305 CA SER A 85 8.860 -17.874 7.688 1.00 0.00 C ATOM 1306 C SER A 85 9.697 -19.152 7.617 1.00 0.00 C ATOM 1307 O SER A 85 10.927 -19.157 7.724 1.00 0.00 O ATOM 1308 CB SER A 85 8.346 -17.409 6.308 1.00 0.00 C ATOM 1309 OG SER A 85 7.651 -18.431 5.604 1.00 0.00 O ATOM 0 H SER A 85 10.669 -16.993 8.219 1.00 0.00 H new ATOM 0 HA SER A 85 7.968 -18.081 8.279 1.00 0.00 H new ATOM 0 HB2 SER A 85 7.685 -16.553 6.442 1.00 0.00 H new ATOM 0 HB3 SER A 85 9.190 -17.070 5.707 1.00 0.00 H new ATOM 0 HG SER A 85 7.346 -18.084 4.740 1.00 0.00 H new ATOM 1315 N ARG A 86 8.993 -20.263 7.425 1.00 0.00 N ATOM 1316 CA ARG A 86 9.431 -21.636 7.641 1.00 0.00 C ATOM 1317 C ARG A 86 10.720 -21.998 6.906 1.00 0.00 C ATOM 1318 O ARG A 86 11.515 -22.801 7.400 1.00 0.00 O ATOM 1319 CB ARG A 86 8.235 -22.516 7.235 1.00 0.00 C ATOM 1320 CG ARG A 86 8.139 -23.879 7.915 1.00 0.00 C ATOM 1321 CD ARG A 86 9.114 -24.934 7.382 1.00 0.00 C ATOM 1322 NE ARG A 86 8.498 -26.267 7.436 1.00 0.00 N ATOM 1323 CZ ARG A 86 8.059 -26.878 8.540 1.00 0.00 C ATOM 1324 NH1 ARG A 86 8.414 -26.461 9.754 1.00 0.00 N ATOM 1325 NH2 ARG A 86 7.254 -27.919 8.404 1.00 0.00 N ATOM 0 H ARG A 86 8.031 -20.223 7.090 1.00 0.00 H new ATOM 0 HA ARG A 86 9.704 -21.792 8.685 1.00 0.00 H new ATOM 0 HB2 ARG A 86 7.318 -21.964 7.442 1.00 0.00 H new ATOM 0 HB3 ARG A 86 8.276 -22.673 6.157 1.00 0.00 H new ATOM 0 HG2 ARG A 86 8.314 -23.749 8.983 1.00 0.00 H new ATOM 0 HG3 ARG A 86 7.122 -24.255 7.802 1.00 0.00 H new ATOM 0 HD2 ARG A 86 9.394 -24.696 6.356 1.00 0.00 H new ATOM 0 HD3 ARG A 86 10.030 -24.924 7.972 1.00 0.00 H new ATOM 0 HE ARG A 86 8.397 -26.769 6.554 1.00 0.00 H new ATOM 0 HH11 ARG A 86 9.035 -25.658 9.856 1.00 0.00 H new ATOM 0 HH12 ARG A 86 8.065 -26.945 10.582 1.00 0.00 H new ATOM 0 HH21 ARG A 86 6.983 -28.236 7.473 1.00 0.00 H new ATOM 0 HH22 ARG A 86 6.904 -28.404 9.230 1.00 0.00 H new ATOM 1339 N ARG A 87 10.935 -21.421 5.725 1.00 0.00 N ATOM 1340 CA ARG A 87 12.054 -21.709 4.820 1.00 0.00 C ATOM 1341 C ARG A 87 12.573 -20.426 4.165 1.00 0.00 C ATOM 1342 O ARG A 87 13.217 -20.497 3.113 1.00 0.00 O ATOM 1343 CB ARG A 87 11.559 -22.713 3.770 1.00 0.00 C ATOM 1344 CG ARG A 87 12.691 -23.577 3.209 1.00 0.00 C ATOM 1345 CD ARG A 87 12.270 -24.143 1.854 1.00 0.00 C ATOM 1346 NE ARG A 87 12.782 -25.503 1.661 1.00 0.00 N ATOM 1347 CZ ARG A 87 12.047 -26.603 1.469 1.00 0.00 C ATOM 1348 NH1 ARG A 87 10.718 -26.552 1.541 1.00 0.00 N ATOM 1349 NH2 ARG A 87 12.659 -27.752 1.211 1.00 0.00 N ATOM 0 H ARG A 87 10.308 -20.708 5.353 1.00 0.00 H new ATOM 0 HA ARG A 87 12.890 -22.135 5.375 1.00 0.00 H new ATOM 0 HB2 ARG A 87 10.801 -23.357 4.216 1.00 0.00 H new ATOM 0 HB3 ARG A 87 11.079 -22.174 2.954 1.00 0.00 H new ATOM 0 HG2 ARG A 87 13.599 -22.983 3.102 1.00 0.00 H new ATOM 0 HG3 ARG A 87 12.921 -24.388 3.899 1.00 0.00 H new ATOM 0 HD2 ARG A 87 11.182 -24.148 1.782 1.00 0.00 H new ATOM 0 HD3 ARG A 87 12.639 -23.497 1.057 1.00 0.00 H new ATOM 0 HE ARG A 87 13.795 -25.621 1.674 1.00 0.00 H new ATOM 0 HH11 ARG A 87 10.252 -25.668 1.744 1.00 0.00 H new ATOM 0 HH12 ARG A 87 10.166 -27.397 1.393 1.00 0.00 H new ATOM 0 HH21 ARG A 87 13.677 -27.788 1.161 1.00 0.00 H new ATOM 0 HH22 ARG A 87 12.111 -28.599 1.062 1.00 0.00 H new ATOM 1363 N TRP A 88 12.187 -19.275 4.719 1.00 0.00 N ATOM 1364 CA TRP A 88 12.332 -17.972 4.111 1.00 0.00 C ATOM 1365 C TRP A 88 12.600 -16.978 5.225 1.00 0.00 C ATOM 1366 O TRP A 88 11.719 -16.686 6.034 1.00 0.00 O ATOM 1367 CB TRP A 88 11.061 -17.630 3.331 1.00 0.00 C ATOM 1368 CG TRP A 88 10.954 -18.345 2.026 1.00 0.00 C ATOM 1369 CD1 TRP A 88 10.433 -19.574 1.817 1.00 0.00 C ATOM 1370 CD2 TRP A 88 11.312 -17.845 0.713 1.00 0.00 C ATOM 1371 NE1 TRP A 88 10.522 -19.892 0.478 1.00 0.00 N ATOM 1372 CE2 TRP A 88 11.060 -18.858 -0.252 1.00 0.00 C ATOM 1373 CE3 TRP A 88 11.777 -16.607 0.242 1.00 0.00 C ATOM 1374 CZ2 TRP A 88 11.304 -18.659 -1.616 1.00 0.00 C ATOM 1375 CZ3 TRP A 88 12.069 -16.405 -1.115 1.00 0.00 C ATOM 1376 CH2 TRP A 88 11.830 -17.431 -2.040 1.00 0.00 C ATOM 0 H TRP A 88 11.749 -19.235 5.639 1.00 0.00 H new ATOM 0 HA TRP A 88 13.160 -17.947 3.403 1.00 0.00 H new ATOM 0 HB2 TRP A 88 10.192 -17.874 3.942 1.00 0.00 H new ATOM 0 HB3 TRP A 88 11.033 -16.555 3.151 1.00 0.00 H new ATOM 0 HD1 TRP A 88 10.011 -20.210 2.581 1.00 0.00 H new ATOM 0 HE1 TRP A 88 10.226 -20.783 0.079 1.00 0.00 H new ATOM 0 HE3 TRP A 88 11.913 -15.793 0.939 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 11.090 -19.440 -2.331 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 12.477 -15.461 -1.446 1.00 0.00 H new ATOM 0 HH2 TRP A 88 12.052 -17.274 -3.085 1.00 0.00 H new ATOM 1387 N GLN A 89 13.825 -16.467 5.282 1.00 0.00 N ATOM 1388 CA GLN A 89 14.232 -15.477 6.251 1.00 0.00 C ATOM 1389 C GLN A 89 14.455 -14.162 5.526 1.00 0.00 C ATOM 1390 O GLN A 89 14.946 -14.102 4.395 1.00 0.00 O ATOM 1391 CB GLN A 89 15.471 -15.957 7.020 1.00 0.00 C ATOM 1392 CG GLN A 89 15.085 -17.049 8.033 1.00 0.00 C ATOM 1393 CD GLN A 89 14.105 -16.591 9.080 1.00 0.00 C ATOM 1394 OE1 GLN A 89 14.090 -15.403 9.434 1.00 0.00 O ATOM 1395 NE2 GLN A 89 13.380 -17.551 9.634 1.00 0.00 N ATOM 0 H GLN A 89 14.570 -16.739 4.641 1.00 0.00 H new ATOM 0 HA GLN A 89 13.455 -15.324 7.000 1.00 0.00 H new ATOM 0 HB2 GLN A 89 16.212 -16.346 6.322 1.00 0.00 H new ATOM 0 HB3 GLN A 89 15.932 -15.117 7.539 1.00 0.00 H new ATOM 0 HG2 GLN A 89 14.658 -17.895 7.495 1.00 0.00 H new ATOM 0 HG3 GLN A 89 15.988 -17.408 8.527 1.00 0.00 H new ATOM 0 HE21 GLN A 89 13.448 -18.507 9.285 1.00 0.00 H new ATOM 0 HE22 GLN A 89 12.754 -17.334 10.409 1.00 0.00 H new ATOM 1404 N LEU A 90 14.029 -13.109 6.210 1.00 0.00 N ATOM 1405 CA LEU A 90 14.083 -11.738 5.750 1.00 0.00 C ATOM 1406 C LEU A 90 15.203 -11.020 6.443 1.00 0.00 C ATOM 1407 O LEU A 90 15.722 -11.467 7.470 1.00 0.00 O ATOM 1408 CB LEU A 90 12.753 -11.051 6.071 1.00 0.00 C ATOM 1409 CG LEU A 90 11.839 -10.866 4.870 1.00 0.00 C ATOM 1410 CD1 LEU A 90 11.934 -9.575 4.088 1.00 0.00 C ATOM 1411 CD2 LEU A 90 11.793 -12.090 3.960 1.00 0.00 C ATOM 0 H LEU A 90 13.620 -13.196 7.140 1.00 0.00 H new ATOM 0 HA LEU A 90 14.256 -11.716 4.674 1.00 0.00 H new ATOM 0 HB2 LEU A 90 12.228 -11.636 6.826 1.00 0.00 H new ATOM 0 HB3 LEU A 90 12.958 -10.075 6.510 1.00 0.00 H new ATOM 0 HG LEU A 90 10.873 -10.759 5.363 1.00 0.00 H new ATOM 0 HD11 LEU A 90 11.220 -9.595 3.264 1.00 0.00 H new ATOM 0 HD12 LEU A 90 11.707 -8.735 4.744 1.00 0.00 H new ATOM 0 HD13 LEU A 90 12.943 -9.463 3.691 1.00 0.00 H new ATOM 0 HD21 LEU A 90 11.124 -11.895 3.122 1.00 0.00 H new ATOM 0 HD22 LEU A 90 12.794 -12.302 3.584 1.00 0.00 H new ATOM 0 HD23 LEU A 90 11.428 -12.949 4.523 1.00 0.00 H new ATOM 1423 N SER A 91 15.544 -9.891 5.854 1.00 0.00 N ATOM 1424 CA SER A 91 16.657 -9.071 6.319 1.00 0.00 C ATOM 1425 C SER A 91 16.632 -7.701 5.647 1.00 0.00 C ATOM 1426 O SER A 91 15.845 -7.469 4.727 1.00 0.00 O ATOM 1427 CB SER A 91 18.040 -9.762 6.173 1.00 0.00 C ATOM 1428 OG SER A 91 18.055 -11.018 5.506 1.00 0.00 O ATOM 0 H SER A 91 15.061 -9.512 5.040 1.00 0.00 H new ATOM 0 HA SER A 91 16.517 -8.933 7.391 1.00 0.00 H new ATOM 0 HB2 SER A 91 18.705 -9.084 5.638 1.00 0.00 H new ATOM 0 HB3 SER A 91 18.459 -9.900 7.170 1.00 0.00 H new ATOM 0 HG SER A 91 18.973 -11.359 5.470 1.00 0.00 H new ATOM 1434 N VAL A 92 17.523 -6.804 6.073 1.00 0.00 N ATOM 1435 CA VAL A 92 17.721 -5.511 5.442 1.00 0.00 C ATOM 1436 C VAL A 92 19.185 -5.393 5.014 1.00 0.00 C ATOM 1437 O VAL A 92 20.062 -6.071 5.572 1.00 0.00 O ATOM 1438 CB VAL A 92 17.192 -4.412 6.381 1.00 0.00 C ATOM 1439 CG1 VAL A 92 18.097 -4.123 7.585 1.00 0.00 C ATOM 1440 CG2 VAL A 92 16.890 -3.136 5.596 1.00 0.00 C ATOM 0 H VAL A 92 18.132 -6.963 6.876 1.00 0.00 H new ATOM 0 HA VAL A 92 17.148 -5.392 4.523 1.00 0.00 H new ATOM 0 HB VAL A 92 16.267 -4.801 6.807 1.00 0.00 H new ATOM 0 HG11 VAL A 92 17.651 -3.337 8.195 1.00 0.00 H new ATOM 0 HG12 VAL A 92 18.207 -5.028 8.183 1.00 0.00 H new ATOM 0 HG13 VAL A 92 19.077 -3.799 7.234 1.00 0.00 H new ATOM 0 HG21 VAL A 92 16.517 -2.370 6.276 1.00 0.00 H new ATOM 0 HG22 VAL A 92 17.801 -2.781 5.114 1.00 0.00 H new ATOM 0 HG23 VAL A 92 16.136 -3.346 4.837 1.00 0.00 H new ATOM 1450 N ALA A 93 19.443 -4.585 3.987 1.00 0.00 N ATOM 1451 CA ALA A 93 20.776 -4.294 3.491 1.00 0.00 C ATOM 1452 C ALA A 93 21.252 -2.969 4.088 1.00 0.00 C ATOM 1453 O ALA A 93 20.541 -2.318 4.850 1.00 0.00 O ATOM 1454 CB ALA A 93 20.728 -4.184 1.965 1.00 0.00 C ATOM 0 H ALA A 93 18.708 -4.105 3.467 1.00 0.00 H new ATOM 0 HA ALA A 93 21.464 -5.090 3.777 1.00 0.00 H new ATOM 0 HB1 ALA A 93 21.726 -3.965 1.584 1.00 0.00 H new ATOM 0 HB2 ALA A 93 20.377 -5.126 1.543 1.00 0.00 H new ATOM 0 HB3 ALA A 93 20.047 -3.382 1.679 1.00 0.00 H new