USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=19 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 24 MET CE :methyl 173:sc= -0.967 (180deg=-1.3) USER MOD Set 1.2: A 79 GLN :FLIP amide:sc= -0.0878 F(o=-5.4!,f=-1.1) USER MOD Single : A 23 THR OG1 : rot -82:sc= 1.27 USER MOD Single : A 27 GLN : amide:sc= -0.437 X(o=-0.44,f=0) USER MOD Single : A 28 CYS SG : rot 94:sc= 0.708 USER MOD Single : A 29 SER OG : rot -38:sc= 0.0526 USER MOD Single : A 32 MET CE :methyl -113:sc= -6.37! (180deg=-10.6!) USER MOD Single : A 34 ASN : amide:sc= -0.1 K(o=-0.1,f=-6!) USER MOD Single : A 36 SER OG : rot 180:sc= 0.0899 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+ 141:sc= 1.26 (180deg=0.846) USER MOD Single : A 45 GLN : amide:sc= -0.112 X(o=-0.11,f=-0.11) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -160:sc= -0.0656 (180deg=-0.345) USER MOD Single : A 57 MET CE :methyl 159:sc= -0.163 (180deg=-0.916) USER MOD Single : A 61 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0212) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 CYS SG : rot 180:sc= -0.171 USER MOD Single : A 72 THR OG1 : rot -43:sc= 1.07 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0133 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 SER OG : rot 180:sc=-0.000332 USER MOD Single : A 89 GLN : amide:sc= -0.386 X(o=-0.39,f=-0.037) USER MOD Single : A 91 SER OG : rot 70:sc= 1.19 USER MOD ----------------------------------------------------------------- ATOM 270 N GLY A 20 14.798 8.484 1.735 1.00 0.00 N ATOM 271 CA GLY A 20 15.847 7.651 1.183 1.00 0.00 C ATOM 272 C GLY A 20 15.283 6.248 1.039 1.00 0.00 C ATOM 273 O GLY A 20 14.805 5.644 2.000 1.00 0.00 O ATOM 0 HA2 GLY A 20 16.173 8.035 0.216 1.00 0.00 H new ATOM 0 HA3 GLY A 20 16.720 7.649 1.836 1.00 0.00 H new ATOM 277 N PHE A 21 15.198 5.787 -0.200 1.00 0.00 N ATOM 278 CA PHE A 21 14.896 4.394 -0.498 1.00 0.00 C ATOM 279 C PHE A 21 15.977 3.520 0.129 1.00 0.00 C ATOM 280 O PHE A 21 17.145 3.902 0.155 1.00 0.00 O ATOM 281 CB PHE A 21 14.871 4.156 -2.010 1.00 0.00 C ATOM 282 CG PHE A 21 13.561 4.478 -2.690 1.00 0.00 C ATOM 283 CD1 PHE A 21 12.905 5.703 -2.463 1.00 0.00 C ATOM 284 CD2 PHE A 21 12.986 3.523 -3.550 1.00 0.00 C ATOM 285 CE1 PHE A 21 11.664 5.951 -3.078 1.00 0.00 C ATOM 286 CE2 PHE A 21 11.753 3.773 -4.172 1.00 0.00 C ATOM 287 CZ PHE A 21 11.093 4.985 -3.928 1.00 0.00 C ATOM 0 H PHE A 21 15.336 6.367 -1.027 1.00 0.00 H new ATOM 0 HA PHE A 21 13.915 4.145 -0.093 1.00 0.00 H new ATOM 0 HB2 PHE A 21 15.657 4.755 -2.469 1.00 0.00 H new ATOM 0 HB3 PHE A 21 15.114 3.111 -2.201 1.00 0.00 H new ATOM 0 HD1 PHE A 21 13.352 6.448 -1.821 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.498 2.590 -3.733 1.00 0.00 H new ATOM 0 HE1 PHE A 21 11.149 6.883 -2.898 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.317 3.038 -4.833 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.139 5.179 -4.396 1.00 0.00 H new ATOM 297 N VAL A 22 15.591 2.336 0.595 1.00 0.00 N ATOM 298 CA VAL A 22 16.492 1.379 1.231 1.00 0.00 C ATOM 299 C VAL A 22 16.229 0.006 0.607 1.00 0.00 C ATOM 300 O VAL A 22 15.094 -0.304 0.225 1.00 0.00 O ATOM 301 CB VAL A 22 16.296 1.426 2.770 1.00 0.00 C ATOM 302 CG1 VAL A 22 17.137 0.392 3.533 1.00 0.00 C ATOM 303 CG2 VAL A 22 16.639 2.805 3.361 1.00 0.00 C ATOM 0 H VAL A 22 14.627 2.009 0.541 1.00 0.00 H new ATOM 0 HA VAL A 22 17.541 1.621 1.061 1.00 0.00 H new ATOM 0 HB VAL A 22 15.238 1.199 2.901 1.00 0.00 H new ATOM 0 HG11 VAL A 22 16.947 0.486 4.602 1.00 0.00 H new ATOM 0 HG12 VAL A 22 16.867 -0.611 3.203 1.00 0.00 H new ATOM 0 HG13 VAL A 22 18.195 0.567 3.336 1.00 0.00 H new ATOM 0 HG21 VAL A 22 16.486 2.787 4.440 1.00 0.00 H new ATOM 0 HG22 VAL A 22 17.681 3.044 3.146 1.00 0.00 H new ATOM 0 HG23 VAL A 22 15.994 3.562 2.916 1.00 0.00 H new ATOM 313 N THR A 23 17.249 -0.843 0.523 1.00 0.00 N ATOM 314 CA THR A 23 17.183 -2.184 -0.060 1.00 0.00 C ATOM 315 C THR A 23 16.822 -3.221 1.033 1.00 0.00 C ATOM 316 O THR A 23 16.927 -2.925 2.227 1.00 0.00 O ATOM 317 CB THR A 23 18.535 -2.460 -0.761 1.00 0.00 C ATOM 318 OG1 THR A 23 19.077 -1.283 -1.324 1.00 0.00 O ATOM 319 CG2 THR A 23 18.471 -3.514 -1.870 1.00 0.00 C ATOM 0 H THR A 23 18.179 -0.610 0.871 1.00 0.00 H new ATOM 0 HA THR A 23 16.395 -2.263 -0.808 1.00 0.00 H new ATOM 0 HB THR A 23 19.169 -2.845 0.038 1.00 0.00 H new ATOM 0 HG1 THR A 23 18.667 -1.120 -2.199 1.00 0.00 H new ATOM 0 HG21 THR A 23 19.461 -3.644 -2.306 1.00 0.00 H new ATOM 0 HG22 THR A 23 18.131 -4.462 -1.452 1.00 0.00 H new ATOM 0 HG23 THR A 23 17.774 -3.188 -2.642 1.00 0.00 H new ATOM 327 N MET A 24 16.375 -4.432 0.673 1.00 0.00 N ATOM 328 CA MET A 24 16.246 -5.584 1.585 1.00 0.00 C ATOM 329 C MET A 24 17.227 -6.686 1.207 1.00 0.00 C ATOM 330 O MET A 24 17.913 -6.563 0.191 1.00 0.00 O ATOM 331 CB MET A 24 14.828 -6.185 1.589 1.00 0.00 C ATOM 332 CG MET A 24 13.728 -5.176 1.847 1.00 0.00 C ATOM 333 SD MET A 24 12.111 -5.897 2.229 1.00 0.00 S ATOM 334 CE MET A 24 12.415 -6.299 3.964 1.00 0.00 C ATOM 0 H MET A 24 16.086 -4.646 -0.281 1.00 0.00 H new ATOM 0 HA MET A 24 16.464 -5.200 2.582 1.00 0.00 H new ATOM 0 HB2 MET A 24 14.646 -6.666 0.628 1.00 0.00 H new ATOM 0 HB3 MET A 24 14.777 -6.964 2.350 1.00 0.00 H new ATOM 0 HG2 MET A 24 14.029 -4.535 2.675 1.00 0.00 H new ATOM 0 HG3 MET A 24 13.627 -4.537 0.970 1.00 0.00 H new ATOM 0 HE1 MET A 24 11.490 -6.645 4.425 1.00 0.00 H new ATOM 0 HE2 MET A 24 13.168 -7.084 4.029 1.00 0.00 H new ATOM 0 HE3 MET A 24 12.771 -5.411 4.486 1.00 0.00 H new ATOM 344 N ILE A 25 17.237 -7.770 1.982 1.00 0.00 N ATOM 345 CA ILE A 25 17.906 -9.029 1.703 1.00 0.00 C ATOM 346 C ILE A 25 16.843 -10.112 1.889 1.00 0.00 C ATOM 347 O ILE A 25 16.148 -10.150 2.902 1.00 0.00 O ATOM 348 CB ILE A 25 19.097 -9.249 2.667 1.00 0.00 C ATOM 349 CG1 ILE A 25 20.142 -8.117 2.642 1.00 0.00 C ATOM 350 CG2 ILE A 25 19.782 -10.598 2.386 1.00 0.00 C ATOM 351 CD1 ILE A 25 20.851 -7.928 1.301 1.00 0.00 C ATOM 0 H ILE A 25 16.746 -7.788 2.876 1.00 0.00 H new ATOM 0 HA ILE A 25 18.322 -9.046 0.696 1.00 0.00 H new ATOM 0 HB ILE A 25 18.666 -9.249 3.668 1.00 0.00 H new ATOM 0 HG12 ILE A 25 19.651 -7.182 2.912 1.00 0.00 H new ATOM 0 HG13 ILE A 25 20.891 -8.316 3.408 1.00 0.00 H new ATOM 0 HG21 ILE A 25 20.616 -10.733 3.074 1.00 0.00 H new ATOM 0 HG22 ILE A 25 19.064 -11.406 2.523 1.00 0.00 H new ATOM 0 HG23 ILE A 25 20.152 -10.612 1.361 1.00 0.00 H new ATOM 0 HD11 ILE A 25 21.567 -7.110 1.380 1.00 0.00 H new ATOM 0 HD12 ILE A 25 21.376 -8.845 1.034 1.00 0.00 H new ATOM 0 HD13 ILE A 25 20.116 -7.694 0.531 1.00 0.00 H new ATOM 363 N LEU A 26 16.722 -11.005 0.912 1.00 0.00 N ATOM 364 CA LEU A 26 15.972 -12.251 1.010 1.00 0.00 C ATOM 365 C LEU A 26 16.975 -13.394 0.912 1.00 0.00 C ATOM 366 O LEU A 26 17.558 -13.603 -0.155 1.00 0.00 O ATOM 367 CB LEU A 26 14.946 -12.354 -0.133 1.00 0.00 C ATOM 368 CG LEU A 26 13.509 -12.026 0.277 1.00 0.00 C ATOM 369 CD1 LEU A 26 13.357 -10.600 0.823 1.00 0.00 C ATOM 370 CD2 LEU A 26 12.588 -12.221 -0.926 1.00 0.00 C ATOM 0 H LEU A 26 17.159 -10.876 -0.001 1.00 0.00 H new ATOM 0 HA LEU A 26 15.426 -12.292 1.953 1.00 0.00 H new ATOM 0 HB2 LEU A 26 15.245 -11.680 -0.935 1.00 0.00 H new ATOM 0 HB3 LEU A 26 14.973 -13.365 -0.540 1.00 0.00 H new ATOM 0 HG LEU A 26 13.235 -12.704 1.085 1.00 0.00 H new ATOM 0 HD11 LEU A 26 12.317 -10.424 1.097 1.00 0.00 H new ATOM 0 HD12 LEU A 26 13.990 -10.478 1.702 1.00 0.00 H new ATOM 0 HD13 LEU A 26 13.656 -9.884 0.058 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.562 -11.989 -0.640 1.00 0.00 H new ATOM 0 HD22 LEU A 26 12.899 -11.558 -1.733 1.00 0.00 H new ATOM 0 HD23 LEU A 26 12.645 -13.256 -1.264 1.00 0.00 H new ATOM 382 N GLN A 27 17.185 -14.141 1.995 1.00 0.00 N ATOM 383 CA GLN A 27 17.909 -15.408 1.969 1.00 0.00 C ATOM 384 C GLN A 27 16.881 -16.526 2.161 1.00 0.00 C ATOM 385 O GLN A 27 15.974 -16.419 3.001 1.00 0.00 O ATOM 386 CB GLN A 27 18.990 -15.415 3.069 1.00 0.00 C ATOM 387 CG GLN A 27 20.097 -14.361 2.868 1.00 0.00 C ATOM 388 CD GLN A 27 21.360 -14.867 2.167 1.00 0.00 C ATOM 389 OE1 GLN A 27 22.485 -14.670 2.627 1.00 0.00 O ATOM 390 NE2 GLN A 27 21.237 -15.506 1.007 1.00 0.00 N ATOM 0 H GLN A 27 16.853 -13.880 2.924 1.00 0.00 H new ATOM 0 HA GLN A 27 18.426 -15.556 1.021 1.00 0.00 H new ATOM 0 HB2 GLN A 27 18.513 -15.246 4.034 1.00 0.00 H new ATOM 0 HB3 GLN A 27 19.447 -16.404 3.108 1.00 0.00 H new ATOM 0 HG2 GLN A 27 19.687 -13.533 2.290 1.00 0.00 H new ATOM 0 HG3 GLN A 27 20.377 -13.961 3.843 1.00 0.00 H new ATOM 0 HE21 GLN A 27 20.311 -15.676 0.614 1.00 0.00 H new ATOM 0 HE22 GLN A 27 22.068 -15.826 0.510 1.00 0.00 H new ATOM 399 N CYS A 28 16.999 -17.595 1.376 1.00 0.00 N ATOM 400 CA CYS A 28 16.059 -18.706 1.344 1.00 0.00 C ATOM 401 C CYS A 28 16.810 -20.009 1.610 1.00 0.00 C ATOM 402 O CYS A 28 17.987 -20.135 1.269 1.00 0.00 O ATOM 403 CB CYS A 28 15.390 -18.733 -0.037 1.00 0.00 C ATOM 404 SG CYS A 28 13.920 -19.787 -0.027 1.00 0.00 S ATOM 0 H CYS A 28 17.776 -17.712 0.726 1.00 0.00 H new ATOM 0 HA CYS A 28 15.294 -18.589 2.111 1.00 0.00 H new ATOM 0 HB2 CYS A 28 15.113 -17.720 -0.331 1.00 0.00 H new ATOM 0 HB3 CYS A 28 16.098 -19.098 -0.781 1.00 0.00 H new ATOM 0 HG CYS A 28 12.868 -19.062 0.211 1.00 0.00 H new ATOM 410 N SER A 29 16.111 -21.018 2.128 1.00 0.00 N ATOM 411 CA SER A 29 16.649 -22.362 2.322 1.00 0.00 C ATOM 412 C SER A 29 16.901 -23.077 0.983 1.00 0.00 C ATOM 413 O SER A 29 17.518 -24.146 0.967 1.00 0.00 O ATOM 414 CB SER A 29 15.630 -23.169 3.143 1.00 0.00 C ATOM 415 OG SER A 29 16.142 -24.383 3.653 1.00 0.00 O ATOM 0 H SER A 29 15.141 -20.922 2.429 1.00 0.00 H new ATOM 0 HA SER A 29 17.605 -22.285 2.839 1.00 0.00 H new ATOM 0 HB2 SER A 29 15.279 -22.556 3.973 1.00 0.00 H new ATOM 0 HB3 SER A 29 14.763 -23.385 2.518 1.00 0.00 H new ATOM 0 HG SER A 29 16.730 -24.796 2.986 1.00 0.00 H new ATOM 421 N ILE A 30 16.400 -22.563 -0.141 1.00 0.00 N ATOM 422 CA ILE A 30 16.314 -23.291 -1.399 1.00 0.00 C ATOM 423 C ILE A 30 16.809 -22.398 -2.519 1.00 0.00 C ATOM 424 O ILE A 30 16.849 -21.174 -2.383 1.00 0.00 O ATOM 425 CB ILE A 30 14.889 -23.843 -1.649 1.00 0.00 C ATOM 426 CG1 ILE A 30 13.813 -22.747 -1.761 1.00 0.00 C ATOM 427 CG2 ILE A 30 14.524 -24.831 -0.527 1.00 0.00 C ATOM 428 CD1 ILE A 30 12.479 -23.235 -2.331 1.00 0.00 C ATOM 0 H ILE A 30 16.037 -21.612 -0.199 1.00 0.00 H new ATOM 0 HA ILE A 30 16.956 -24.171 -1.355 1.00 0.00 H new ATOM 0 HB ILE A 30 14.907 -24.347 -2.615 1.00 0.00 H new ATOM 0 HG12 ILE A 30 13.639 -22.321 -0.773 1.00 0.00 H new ATOM 0 HG13 ILE A 30 14.193 -21.943 -2.392 1.00 0.00 H new ATOM 0 HG21 ILE A 30 13.521 -25.222 -0.699 1.00 0.00 H new ATOM 0 HG22 ILE A 30 15.239 -25.654 -0.520 1.00 0.00 H new ATOM 0 HG23 ILE A 30 14.553 -24.317 0.434 1.00 0.00 H new ATOM 0 HD11 ILE A 30 11.777 -22.403 -2.377 1.00 0.00 H new ATOM 0 HD12 ILE A 30 12.636 -23.633 -3.333 1.00 0.00 H new ATOM 0 HD13 ILE A 30 12.073 -24.017 -1.689 1.00 0.00 H new ATOM 440 N GLU A 31 17.205 -23.027 -3.620 1.00 0.00 N ATOM 441 CA GLU A 31 17.563 -22.307 -4.818 1.00 0.00 C ATOM 442 C GLU A 31 16.296 -21.724 -5.409 1.00 0.00 C ATOM 443 O GLU A 31 15.232 -22.349 -5.348 1.00 0.00 O ATOM 444 CB GLU A 31 18.249 -23.266 -5.787 1.00 0.00 C ATOM 445 CG GLU A 31 18.921 -22.520 -6.938 1.00 0.00 C ATOM 446 CD GLU A 31 19.898 -23.436 -7.670 1.00 0.00 C ATOM 447 OE1 GLU A 31 19.407 -24.331 -8.407 1.00 0.00 O ATOM 448 OE2 GLU A 31 21.120 -23.286 -7.491 1.00 0.00 O ATOM 0 H GLU A 31 17.284 -24.041 -3.699 1.00 0.00 H new ATOM 0 HA GLU A 31 18.258 -21.495 -4.605 1.00 0.00 H new ATOM 0 HB2 GLU A 31 18.993 -23.855 -5.251 1.00 0.00 H new ATOM 0 HB3 GLU A 31 17.516 -23.967 -6.186 1.00 0.00 H new ATOM 0 HG2 GLU A 31 18.165 -22.155 -7.633 1.00 0.00 H new ATOM 0 HG3 GLU A 31 19.449 -21.647 -6.554 1.00 0.00 H new ATOM 455 N MET A 32 16.424 -20.538 -5.989 1.00 0.00 N ATOM 456 CA MET A 32 15.340 -19.836 -6.630 1.00 0.00 C ATOM 457 C MET A 32 15.577 -19.893 -8.146 1.00 0.00 C ATOM 458 O MET A 32 16.197 -18.989 -8.710 1.00 0.00 O ATOM 459 CB MET A 32 15.220 -18.422 -6.051 1.00 0.00 C ATOM 460 CG MET A 32 14.927 -18.447 -4.542 1.00 0.00 C ATOM 461 SD MET A 32 14.207 -16.923 -3.861 1.00 0.00 S ATOM 462 CE MET A 32 15.377 -15.620 -4.331 1.00 0.00 C ATOM 0 H MET A 32 17.309 -20.032 -6.023 1.00 0.00 H new ATOM 0 HA MET A 32 14.373 -20.301 -6.437 1.00 0.00 H new ATOM 0 HB2 MET A 32 16.145 -17.875 -6.233 1.00 0.00 H new ATOM 0 HB3 MET A 32 14.425 -17.884 -6.567 1.00 0.00 H new ATOM 0 HG2 MET A 32 14.247 -19.274 -4.335 1.00 0.00 H new ATOM 0 HG3 MET A 32 15.856 -18.658 -4.012 1.00 0.00 H new ATOM 0 HE1 MET A 32 15.856 -15.221 -3.437 1.00 0.00 H new ATOM 0 HE2 MET A 32 16.136 -16.034 -4.995 1.00 0.00 H new ATOM 0 HE3 MET A 32 14.844 -14.820 -4.844 1.00 0.00 H new ATOM 472 N PRO A 33 15.145 -20.959 -8.845 1.00 0.00 N ATOM 473 CA PRO A 33 15.327 -21.079 -10.290 1.00 0.00 C ATOM 474 C PRO A 33 14.669 -19.958 -11.084 1.00 0.00 C ATOM 475 O PRO A 33 15.008 -19.767 -12.256 1.00 0.00 O ATOM 476 CB PRO A 33 14.712 -22.422 -10.684 1.00 0.00 C ATOM 477 CG PRO A 33 13.781 -22.767 -9.529 1.00 0.00 C ATOM 478 CD PRO A 33 14.473 -22.141 -8.329 1.00 0.00 C ATOM 0 HA PRO A 33 16.390 -21.012 -10.523 1.00 0.00 H new ATOM 0 HB2 PRO A 33 14.167 -22.348 -11.625 1.00 0.00 H new ATOM 0 HB3 PRO A 33 15.478 -23.186 -10.818 1.00 0.00 H new ATOM 0 HG2 PRO A 33 12.783 -22.355 -9.679 1.00 0.00 H new ATOM 0 HG3 PRO A 33 13.667 -23.845 -9.412 1.00 0.00 H new ATOM 0 HD2 PRO A 33 13.754 -21.877 -7.554 1.00 0.00 H new ATOM 0 HD3 PRO A 33 15.185 -22.834 -7.880 1.00 0.00 H new ATOM 486 N ASN A 34 13.722 -19.247 -10.476 1.00 0.00 N ATOM 487 CA ASN A 34 13.074 -18.078 -11.035 1.00 0.00 C ATOM 488 C ASN A 34 12.890 -17.041 -9.942 1.00 0.00 C ATOM 489 O ASN A 34 12.888 -17.339 -8.747 1.00 0.00 O ATOM 490 CB ASN A 34 11.724 -18.425 -11.669 1.00 0.00 C ATOM 491 CG ASN A 34 10.753 -19.047 -10.678 1.00 0.00 C ATOM 492 OD1 ASN A 34 10.278 -18.384 -9.768 1.00 0.00 O ATOM 493 ND2 ASN A 34 10.482 -20.326 -10.813 1.00 0.00 N ATOM 0 H ASN A 34 13.377 -19.484 -9.546 1.00 0.00 H new ATOM 0 HA ASN A 34 13.709 -17.678 -11.826 1.00 0.00 H new ATOM 0 HB2 ASN A 34 11.281 -17.521 -12.087 1.00 0.00 H new ATOM 0 HB3 ASN A 34 11.883 -19.115 -12.498 1.00 0.00 H new ATOM 0 HD21 ASN A 34 9.861 -20.789 -10.149 1.00 0.00 H new ATOM 0 HD22 ASN A 34 10.892 -20.856 -11.582 1.00 0.00 H new ATOM 500 N ILE A 35 12.730 -15.793 -10.366 1.00 0.00 N ATOM 501 CA ILE A 35 12.471 -14.672 -9.466 1.00 0.00 C ATOM 502 C ILE A 35 11.072 -14.736 -8.842 1.00 0.00 C ATOM 503 O ILE A 35 10.864 -14.207 -7.752 1.00 0.00 O ATOM 504 CB ILE A 35 12.739 -13.357 -10.231 1.00 0.00 C ATOM 505 CG1 ILE A 35 13.096 -12.215 -9.267 1.00 0.00 C ATOM 506 CG2 ILE A 35 11.563 -12.961 -11.142 1.00 0.00 C ATOM 507 CD1 ILE A 35 13.847 -11.079 -9.969 1.00 0.00 C ATOM 0 H ILE A 35 12.776 -15.527 -11.350 1.00 0.00 H new ATOM 0 HA ILE A 35 13.150 -14.723 -8.615 1.00 0.00 H new ATOM 0 HB ILE A 35 13.598 -13.539 -10.877 1.00 0.00 H new ATOM 0 HG12 ILE A 35 12.184 -11.822 -8.818 1.00 0.00 H new ATOM 0 HG13 ILE A 35 13.709 -12.606 -8.454 1.00 0.00 H new ATOM 0 HG21 ILE A 35 11.800 -12.030 -11.658 1.00 0.00 H new ATOM 0 HG22 ILE A 35 11.390 -13.749 -11.875 1.00 0.00 H new ATOM 0 HG23 ILE A 35 10.666 -12.823 -10.539 1.00 0.00 H new ATOM 0 HD11 ILE A 35 14.078 -10.295 -9.248 1.00 0.00 H new ATOM 0 HD12 ILE A 35 14.773 -11.464 -10.395 1.00 0.00 H new ATOM 0 HD13 ILE A 35 13.225 -10.668 -10.764 1.00 0.00 H new ATOM 519 N SER A 36 10.128 -15.412 -9.490 1.00 0.00 N ATOM 520 CA SER A 36 8.741 -15.564 -9.080 1.00 0.00 C ATOM 521 C SER A 36 8.607 -16.258 -7.712 1.00 0.00 C ATOM 522 O SER A 36 7.633 -15.992 -7.009 1.00 0.00 O ATOM 523 CB SER A 36 7.996 -16.316 -10.197 1.00 0.00 C ATOM 524 OG SER A 36 8.572 -16.057 -11.479 1.00 0.00 O ATOM 0 H SER A 36 10.325 -15.896 -10.366 1.00 0.00 H new ATOM 0 HA SER A 36 8.291 -14.581 -8.940 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.022 -17.387 -9.995 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.948 -16.017 -10.201 1.00 0.00 H new ATOM 0 HG SER A 36 8.077 -16.551 -12.166 1.00 0.00 H new ATOM 530 N TYR A 37 9.590 -17.066 -7.299 1.00 0.00 N ATOM 531 CA TYR A 37 9.638 -17.712 -5.992 1.00 0.00 C ATOM 532 C TYR A 37 9.458 -16.684 -4.877 1.00 0.00 C ATOM 533 O TYR A 37 8.481 -16.754 -4.136 1.00 0.00 O ATOM 534 CB TYR A 37 10.954 -18.483 -5.820 1.00 0.00 C ATOM 535 CG TYR A 37 10.794 -19.982 -5.863 1.00 0.00 C ATOM 536 CD1 TYR A 37 10.347 -20.653 -4.708 1.00 0.00 C ATOM 537 CD2 TYR A 37 11.145 -20.698 -7.023 1.00 0.00 C ATOM 538 CE1 TYR A 37 10.301 -22.057 -4.691 1.00 0.00 C ATOM 539 CE2 TYR A 37 11.127 -22.106 -7.001 1.00 0.00 C ATOM 540 CZ TYR A 37 10.743 -22.788 -5.820 1.00 0.00 C ATOM 541 OH TYR A 37 10.851 -24.143 -5.745 1.00 0.00 O ATOM 0 H TYR A 37 10.394 -17.292 -7.884 1.00 0.00 H new ATOM 0 HA TYR A 37 8.816 -18.426 -5.929 1.00 0.00 H new ATOM 0 HB2 TYR A 37 11.647 -18.179 -6.604 1.00 0.00 H new ATOM 0 HB3 TYR A 37 11.406 -18.203 -4.869 1.00 0.00 H new ATOM 0 HD1 TYR A 37 10.041 -20.090 -3.839 1.00 0.00 H new ATOM 0 HD2 TYR A 37 11.426 -20.172 -7.923 1.00 0.00 H new ATOM 0 HE1 TYR A 37 9.930 -22.577 -3.820 1.00 0.00 H new ATOM 0 HE2 TYR A 37 11.405 -22.665 -7.882 1.00 0.00 H new ATOM 0 HH TYR A 37 11.166 -24.494 -6.604 1.00 0.00 H new ATOM 551 N ALA A 38 10.355 -15.700 -4.792 1.00 0.00 N ATOM 552 CA ALA A 38 10.323 -14.678 -3.756 1.00 0.00 C ATOM 553 C ALA A 38 8.994 -13.932 -3.764 1.00 0.00 C ATOM 554 O ALA A 38 8.435 -13.618 -2.717 1.00 0.00 O ATOM 555 CB ALA A 38 11.482 -13.708 -3.989 1.00 0.00 C ATOM 0 H ALA A 38 11.129 -15.593 -5.448 1.00 0.00 H new ATOM 0 HA ALA A 38 10.426 -15.152 -2.780 1.00 0.00 H new ATOM 0 HB1 ALA A 38 11.471 -12.936 -3.220 1.00 0.00 H new ATOM 0 HB2 ALA A 38 12.426 -14.251 -3.944 1.00 0.00 H new ATOM 0 HB3 ALA A 38 11.377 -13.244 -4.970 1.00 0.00 H new ATOM 561 N TRP A 39 8.478 -13.638 -4.959 1.00 0.00 N ATOM 562 CA TRP A 39 7.214 -12.941 -5.078 1.00 0.00 C ATOM 563 C TRP A 39 6.067 -13.726 -4.444 1.00 0.00 C ATOM 564 O TRP A 39 5.205 -13.086 -3.852 1.00 0.00 O ATOM 565 CB TRP A 39 6.946 -12.612 -6.545 1.00 0.00 C ATOM 566 CG TRP A 39 7.846 -11.549 -7.092 1.00 0.00 C ATOM 567 CD1 TRP A 39 8.837 -11.738 -7.992 1.00 0.00 C ATOM 568 CD2 TRP A 39 7.844 -10.122 -6.784 1.00 0.00 C ATOM 569 NE1 TRP A 39 9.402 -10.524 -8.312 1.00 0.00 N ATOM 570 CE2 TRP A 39 8.806 -9.493 -7.626 1.00 0.00 C ATOM 571 CE3 TRP A 39 7.111 -9.304 -5.891 1.00 0.00 C ATOM 572 CZ2 TRP A 39 8.989 -8.109 -7.641 1.00 0.00 C ATOM 573 CZ3 TRP A 39 7.259 -7.902 -5.921 1.00 0.00 C ATOM 574 CH2 TRP A 39 8.178 -7.324 -6.810 1.00 0.00 C ATOM 0 H TRP A 39 8.919 -13.874 -5.848 1.00 0.00 H new ATOM 0 HA TRP A 39 7.278 -12.006 -4.522 1.00 0.00 H new ATOM 0 HB2 TRP A 39 7.063 -13.518 -7.140 1.00 0.00 H new ATOM 0 HB3 TRP A 39 5.910 -12.291 -6.654 1.00 0.00 H new ATOM 0 HD1 TRP A 39 9.139 -12.693 -8.397 1.00 0.00 H new ATOM 0 HE1 TRP A 39 10.167 -10.405 -8.975 1.00 0.00 H new ATOM 0 HE3 TRP A 39 6.434 -9.757 -5.182 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 9.736 -7.655 -8.276 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 6.670 -7.278 -5.265 1.00 0.00 H new ATOM 0 HH2 TRP A 39 8.262 -6.248 -6.855 1.00 0.00 H new ATOM 585 N LYS A 40 6.038 -15.062 -4.529 1.00 0.00 N ATOM 586 CA LYS A 40 4.896 -15.829 -4.035 1.00 0.00 C ATOM 587 C LYS A 40 4.873 -15.920 -2.517 1.00 0.00 C ATOM 588 O LYS A 40 3.782 -15.903 -1.946 1.00 0.00 O ATOM 589 CB LYS A 40 4.837 -17.229 -4.670 1.00 0.00 C ATOM 590 CG LYS A 40 3.557 -17.340 -5.505 1.00 0.00 C ATOM 591 CD LYS A 40 3.354 -18.712 -6.143 1.00 0.00 C ATOM 592 CE LYS A 40 2.344 -18.563 -7.287 1.00 0.00 C ATOM 593 NZ LYS A 40 1.781 -19.859 -7.703 1.00 0.00 N ATOM 0 H LYS A 40 6.786 -15.626 -4.932 1.00 0.00 H new ATOM 0 HA LYS A 40 4.003 -15.283 -4.339 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.712 -17.396 -5.298 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.850 -17.996 -3.895 1.00 0.00 H new ATOM 0 HG2 LYS A 40 2.700 -17.114 -4.871 1.00 0.00 H new ATOM 0 HG3 LYS A 40 3.580 -16.584 -6.290 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.300 -19.100 -6.520 1.00 0.00 H new ATOM 0 HD3 LYS A 40 2.989 -19.425 -5.404 1.00 0.00 H new ATOM 0 HE2 LYS A 40 1.536 -17.902 -6.973 1.00 0.00 H new ATOM 0 HE3 LYS A 40 2.830 -18.089 -8.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 1.104 -19.711 -8.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 2.548 -20.482 -8.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 1.294 -20.301 -6.897 1.00 0.00 H new ATOM 607 N GLU A 41 6.022 -16.037 -1.846 1.00 0.00 N ATOM 608 CA GLU A 41 6.020 -16.002 -0.384 1.00 0.00 C ATOM 609 C GLU A 41 5.666 -14.582 0.074 1.00 0.00 C ATOM 610 O GLU A 41 4.851 -14.417 0.983 1.00 0.00 O ATOM 611 CB GLU A 41 7.367 -16.437 0.217 1.00 0.00 C ATOM 612 CG GLU A 41 7.226 -17.080 1.614 1.00 0.00 C ATOM 613 CD GLU A 41 6.959 -18.600 1.646 1.00 0.00 C ATOM 614 OE1 GLU A 41 6.769 -19.256 0.585 1.00 0.00 O ATOM 615 OE2 GLU A 41 7.002 -19.194 2.748 1.00 0.00 O ATOM 0 H GLU A 41 6.939 -16.153 -2.277 1.00 0.00 H new ATOM 0 HA GLU A 41 5.276 -16.714 -0.027 1.00 0.00 H new ATOM 0 HB2 GLU A 41 7.847 -17.147 -0.457 1.00 0.00 H new ATOM 0 HB3 GLU A 41 8.024 -15.570 0.287 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.139 -16.882 2.175 1.00 0.00 H new ATOM 0 HG3 GLU A 41 6.413 -16.579 2.140 1.00 0.00 H new ATOM 622 N LEU A 42 6.243 -13.550 -0.562 1.00 0.00 N ATOM 623 CA LEU A 42 6.003 -12.167 -0.165 1.00 0.00 C ATOM 624 C LEU A 42 4.537 -11.796 -0.351 1.00 0.00 C ATOM 625 O LEU A 42 3.953 -11.184 0.537 1.00 0.00 O ATOM 626 CB LEU A 42 6.901 -11.189 -0.941 1.00 0.00 C ATOM 627 CG LEU A 42 8.342 -11.124 -0.398 1.00 0.00 C ATOM 628 CD1 LEU A 42 9.237 -10.410 -1.415 1.00 0.00 C ATOM 629 CD2 LEU A 42 8.430 -10.359 0.931 1.00 0.00 C ATOM 0 H LEU A 42 6.878 -13.655 -1.353 1.00 0.00 H new ATOM 0 HA LEU A 42 6.254 -12.086 0.893 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.928 -11.485 -1.990 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.460 -10.193 -0.902 1.00 0.00 H new ATOM 0 HG LEU A 42 8.668 -12.150 -0.230 1.00 0.00 H new ATOM 0 HD11 LEU A 42 10.257 -10.363 -1.033 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.227 -10.959 -2.357 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.865 -9.399 -1.581 1.00 0.00 H new ATOM 0 HD21 LEU A 42 9.465 -10.341 1.273 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.077 -9.338 0.787 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.810 -10.855 1.678 1.00 0.00 H new ATOM 641 N LYS A 43 3.931 -12.172 -1.480 1.00 0.00 N ATOM 642 CA LYS A 43 2.517 -11.933 -1.750 1.00 0.00 C ATOM 643 C LYS A 43 1.631 -12.675 -0.756 1.00 0.00 C ATOM 644 O LYS A 43 0.572 -12.160 -0.399 1.00 0.00 O ATOM 645 CB LYS A 43 2.185 -12.337 -3.195 1.00 0.00 C ATOM 646 CG LYS A 43 2.574 -11.224 -4.187 1.00 0.00 C ATOM 647 CD LYS A 43 2.523 -11.690 -5.646 1.00 0.00 C ATOM 648 CE LYS A 43 2.803 -10.494 -6.563 1.00 0.00 C ATOM 649 NZ LYS A 43 2.279 -10.687 -7.930 1.00 0.00 N ATOM 0 H LYS A 43 4.415 -12.655 -2.237 1.00 0.00 H new ATOM 0 HA LYS A 43 2.317 -10.868 -1.630 1.00 0.00 H new ATOM 0 HB2 LYS A 43 2.714 -13.256 -3.449 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.119 -12.548 -3.281 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.902 -10.376 -4.057 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.580 -10.873 -3.957 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.260 -12.475 -5.816 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.545 -12.116 -5.871 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.357 -9.598 -6.131 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.878 -10.323 -6.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.885 -9.791 -8.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 3.050 -10.995 -8.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 1.533 -11.412 -7.917 1.00 0.00 H new ATOM 663 N GLU A 44 2.045 -13.847 -0.268 1.00 0.00 N ATOM 664 CA GLU A 44 1.295 -14.532 0.775 1.00 0.00 C ATOM 665 C GLU A 44 1.302 -13.682 2.050 1.00 0.00 C ATOM 666 O GLU A 44 0.252 -13.433 2.636 1.00 0.00 O ATOM 667 CB GLU A 44 1.848 -15.949 1.008 1.00 0.00 C ATOM 668 CG GLU A 44 0.771 -16.846 1.632 1.00 0.00 C ATOM 669 CD GLU A 44 1.217 -18.304 1.781 1.00 0.00 C ATOM 670 OE1 GLU A 44 1.077 -19.103 0.812 1.00 0.00 O ATOM 671 OE2 GLU A 44 1.704 -18.699 2.855 1.00 0.00 O ATOM 0 H GLU A 44 2.887 -14.333 -0.577 1.00 0.00 H new ATOM 0 HA GLU A 44 0.259 -14.655 0.460 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.183 -16.376 0.063 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.718 -15.904 1.663 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.502 -16.452 2.612 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.127 -16.808 1.016 1.00 0.00 H new ATOM 678 N GLN A 45 2.475 -13.206 2.477 1.00 0.00 N ATOM 679 CA GLN A 45 2.617 -12.486 3.745 1.00 0.00 C ATOM 680 C GLN A 45 2.084 -11.045 3.722 1.00 0.00 C ATOM 681 O GLN A 45 1.567 -10.591 4.743 1.00 0.00 O ATOM 682 CB GLN A 45 4.092 -12.476 4.191 1.00 0.00 C ATOM 683 CG GLN A 45 4.661 -13.874 4.501 1.00 0.00 C ATOM 684 CD GLN A 45 3.852 -14.676 5.516 1.00 0.00 C ATOM 685 OE1 GLN A 45 3.608 -15.867 5.317 1.00 0.00 O ATOM 686 NE2 GLN A 45 3.441 -14.074 6.618 1.00 0.00 N ATOM 0 H GLN A 45 3.347 -13.308 1.958 1.00 0.00 H new ATOM 0 HA GLN A 45 1.998 -13.032 4.457 1.00 0.00 H new ATOM 0 HB2 GLN A 45 4.695 -12.015 3.409 1.00 0.00 H new ATOM 0 HB3 GLN A 45 4.189 -11.850 5.078 1.00 0.00 H new ATOM 0 HG2 GLN A 45 4.721 -14.442 3.573 1.00 0.00 H new ATOM 0 HG3 GLN A 45 5.680 -13.763 4.873 1.00 0.00 H new ATOM 0 HE21 GLN A 45 3.651 -13.087 6.769 1.00 0.00 H new ATOM 0 HE22 GLN A 45 2.914 -14.596 7.318 1.00 0.00 H new ATOM 695 N LEU A 46 2.237 -10.316 2.614 1.00 0.00 N ATOM 696 CA LEU A 46 1.959 -8.878 2.490 1.00 0.00 C ATOM 697 C LEU A 46 0.662 -8.612 1.701 1.00 0.00 C ATOM 698 O LEU A 46 0.302 -7.451 1.471 1.00 0.00 O ATOM 699 CB LEU A 46 3.136 -8.187 1.767 1.00 0.00 C ATOM 700 CG LEU A 46 4.530 -8.256 2.438 1.00 0.00 C ATOM 701 CD1 LEU A 46 5.572 -7.656 1.490 1.00 0.00 C ATOM 702 CD2 LEU A 46 4.544 -7.533 3.783 1.00 0.00 C ATOM 0 H LEU A 46 2.571 -10.725 1.742 1.00 0.00 H new ATOM 0 HA LEU A 46 1.836 -8.476 3.496 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.221 -8.622 0.771 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.879 -7.136 1.635 1.00 0.00 H new ATOM 0 HG LEU A 46 4.772 -9.300 2.635 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.556 -7.701 1.956 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.585 -8.222 0.559 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.317 -6.617 1.280 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.539 -7.603 4.223 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.286 -6.484 3.635 1.00 0.00 H new ATOM 0 HD23 LEU A 46 3.818 -7.995 4.452 1.00 0.00 H new ATOM 714 N GLY A 47 -0.037 -9.667 1.275 1.00 0.00 N ATOM 715 CA GLY A 47 -1.155 -9.584 0.347 1.00 0.00 C ATOM 716 C GLY A 47 -0.634 -9.552 -1.088 1.00 0.00 C ATOM 717 O GLY A 47 0.494 -9.127 -1.355 1.00 0.00 O ATOM 0 H GLY A 47 0.167 -10.620 1.575 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.818 -10.438 0.484 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -1.743 -8.689 0.550 1.00 0.00 H new ATOM 721 N GLU A 48 -1.458 -10.002 -2.033 1.00 0.00 N ATOM 722 CA GLU A 48 -1.022 -10.254 -3.401 1.00 0.00 C ATOM 723 C GLU A 48 -0.698 -8.953 -4.153 1.00 0.00 C ATOM 724 O GLU A 48 -0.039 -8.972 -5.192 1.00 0.00 O ATOM 725 CB GLU A 48 -2.071 -11.102 -4.154 1.00 0.00 C ATOM 726 CG GLU A 48 -1.483 -12.434 -4.645 1.00 0.00 C ATOM 727 CD GLU A 48 -2.274 -13.060 -5.798 1.00 0.00 C ATOM 728 OE1 GLU A 48 -2.373 -12.413 -6.878 1.00 0.00 O ATOM 729 OE2 GLU A 48 -2.738 -14.212 -5.678 1.00 0.00 O ATOM 0 H GLU A 48 -2.445 -10.201 -1.870 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.093 -10.823 -3.355 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.918 -11.299 -3.497 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.452 -10.537 -5.005 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.454 -12.272 -4.966 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.450 -13.137 -3.813 1.00 0.00 H new ATOM 736 N GLU A 49 -1.134 -7.814 -3.630 1.00 0.00 N ATOM 737 CA GLU A 49 -1.063 -6.497 -4.234 1.00 0.00 C ATOM 738 C GLU A 49 0.175 -5.783 -3.693 1.00 0.00 C ATOM 739 O GLU A 49 0.098 -4.785 -2.972 1.00 0.00 O ATOM 740 CB GLU A 49 -2.371 -5.740 -3.922 1.00 0.00 C ATOM 741 CG GLU A 49 -3.528 -6.083 -4.873 1.00 0.00 C ATOM 742 CD GLU A 49 -3.533 -5.216 -6.139 1.00 0.00 C ATOM 743 OE1 GLU A 49 -2.475 -4.698 -6.551 1.00 0.00 O ATOM 744 OE2 GLU A 49 -4.625 -5.014 -6.727 1.00 0.00 O ATOM 0 H GLU A 49 -1.576 -7.788 -2.711 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.967 -6.553 -5.318 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.675 -5.965 -2.900 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.180 -4.668 -3.970 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.460 -7.133 -5.157 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.474 -5.956 -4.347 1.00 0.00 H new ATOM 751 N ILE A 50 1.342 -6.343 -4.009 1.00 0.00 N ATOM 752 CA ILE A 50 2.642 -5.799 -3.604 1.00 0.00 C ATOM 753 C ILE A 50 3.501 -5.350 -4.798 1.00 0.00 C ATOM 754 O ILE A 50 4.315 -4.434 -4.664 1.00 0.00 O ATOM 755 CB ILE A 50 3.334 -6.822 -2.673 1.00 0.00 C ATOM 756 CG1 ILE A 50 4.512 -6.227 -1.881 1.00 0.00 C ATOM 757 CG2 ILE A 50 3.812 -8.071 -3.429 1.00 0.00 C ATOM 758 CD1 ILE A 50 4.069 -5.147 -0.889 1.00 0.00 C ATOM 0 H ILE A 50 1.414 -7.198 -4.560 1.00 0.00 H new ATOM 0 HA ILE A 50 2.493 -4.877 -3.043 1.00 0.00 H new ATOM 0 HB ILE A 50 2.561 -7.111 -1.961 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.021 -7.025 -1.340 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.235 -5.801 -2.577 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.291 -8.758 -2.731 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.958 -8.563 -3.895 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.527 -7.779 -4.199 1.00 0.00 H new ATOM 0 HD11 ILE A 50 4.939 -4.762 -0.358 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.584 -4.334 -1.429 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.368 -5.576 -0.173 1.00 0.00 H new ATOM 770 N ASP A 51 3.312 -5.952 -5.977 1.00 0.00 N ATOM 771 CA ASP A 51 4.180 -5.765 -7.142 1.00 0.00 C ATOM 772 C ASP A 51 3.907 -4.459 -7.898 1.00 0.00 C ATOM 773 O ASP A 51 4.319 -4.307 -9.047 1.00 0.00 O ATOM 774 CB ASP A 51 4.167 -7.001 -8.057 1.00 0.00 C ATOM 775 CG ASP A 51 2.878 -7.175 -8.859 1.00 0.00 C ATOM 776 OD1 ASP A 51 2.687 -6.533 -9.909 1.00 0.00 O ATOM 777 OD2 ASP A 51 2.051 -8.031 -8.469 1.00 0.00 O ATOM 0 H ASP A 51 2.538 -6.594 -6.150 1.00 0.00 H new ATOM 0 HA ASP A 51 5.196 -5.661 -6.760 1.00 0.00 H new ATOM 0 HB2 ASP A 51 5.006 -6.935 -8.750 1.00 0.00 H new ATOM 0 HB3 ASP A 51 4.326 -7.891 -7.448 1.00 0.00 H new ATOM 782 N SER A 52 3.232 -3.481 -7.289 1.00 0.00 N ATOM 783 CA SER A 52 3.243 -2.105 -7.781 1.00 0.00 C ATOM 784 C SER A 52 4.322 -1.264 -7.069 1.00 0.00 C ATOM 785 O SER A 52 4.784 -0.271 -7.643 1.00 0.00 O ATOM 786 CB SER A 52 1.840 -1.514 -7.642 1.00 0.00 C ATOM 787 OG SER A 52 1.541 -0.540 -8.626 1.00 0.00 O ATOM 0 H SER A 52 2.669 -3.620 -6.450 1.00 0.00 H new ATOM 0 HA SER A 52 3.511 -2.093 -8.837 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.107 -2.318 -7.703 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.739 -1.065 -6.654 1.00 0.00 H new ATOM 0 HG SER A 52 0.632 -0.202 -8.486 1.00 0.00 H new ATOM 793 N LYS A 53 4.764 -1.619 -5.852 1.00 0.00 N ATOM 794 CA LYS A 53 5.505 -0.690 -4.979 1.00 0.00 C ATOM 795 C LYS A 53 6.986 -1.034 -4.794 1.00 0.00 C ATOM 796 O LYS A 53 7.674 -0.386 -4.001 1.00 0.00 O ATOM 797 CB LYS A 53 4.785 -0.517 -3.630 1.00 0.00 C ATOM 798 CG LYS A 53 3.374 0.069 -3.807 1.00 0.00 C ATOM 799 CD LYS A 53 2.943 0.853 -2.563 1.00 0.00 C ATOM 800 CE LYS A 53 1.434 1.109 -2.593 1.00 0.00 C ATOM 801 NZ LYS A 53 1.005 2.030 -1.522 1.00 0.00 N ATOM 0 H LYS A 53 4.621 -2.545 -5.448 1.00 0.00 H new ATOM 0 HA LYS A 53 5.509 0.267 -5.501 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.717 -1.482 -3.128 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.372 0.137 -2.986 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.355 0.724 -4.678 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.664 -0.736 -3.998 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.206 0.296 -1.664 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.479 1.801 -2.519 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.157 1.526 -3.561 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.904 0.162 -2.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.023 2.175 -1.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.245 1.622 -0.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.490 2.943 -1.634 1.00 0.00 H new ATOM 815 N VAL A 54 7.524 -2.002 -5.534 1.00 0.00 N ATOM 816 CA VAL A 54 8.920 -2.409 -5.426 1.00 0.00 C ATOM 817 C VAL A 54 9.682 -1.903 -6.660 1.00 0.00 C ATOM 818 O VAL A 54 9.084 -1.421 -7.630 1.00 0.00 O ATOM 819 CB VAL A 54 8.984 -3.928 -5.178 1.00 0.00 C ATOM 820 CG1 VAL A 54 10.384 -4.382 -4.741 1.00 0.00 C ATOM 821 CG2 VAL A 54 7.998 -4.360 -4.080 1.00 0.00 C ATOM 0 H VAL A 54 6.997 -2.529 -6.231 1.00 0.00 H new ATOM 0 HA VAL A 54 9.422 -1.958 -4.570 1.00 0.00 H new ATOM 0 HB VAL A 54 8.724 -4.393 -6.129 1.00 0.00 H new ATOM 0 HG11 VAL A 54 10.382 -5.460 -4.577 1.00 0.00 H new ATOM 0 HG12 VAL A 54 11.106 -4.134 -5.519 1.00 0.00 H new ATOM 0 HG13 VAL A 54 10.659 -3.875 -3.816 1.00 0.00 H new ATOM 0 HG21 VAL A 54 8.069 -5.437 -3.930 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.242 -3.848 -3.149 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.983 -4.102 -4.381 1.00 0.00 H new ATOM 831 N LYS A 55 11.016 -1.910 -6.604 1.00 0.00 N ATOM 832 CA LYS A 55 11.890 -1.704 -7.755 1.00 0.00 C ATOM 833 C LYS A 55 12.204 -3.052 -8.414 1.00 0.00 C ATOM 834 O LYS A 55 11.662 -4.090 -8.034 1.00 0.00 O ATOM 835 CB LYS A 55 13.176 -0.995 -7.301 1.00 0.00 C ATOM 836 CG LYS A 55 12.950 0.471 -6.912 1.00 0.00 C ATOM 837 CD LYS A 55 12.579 1.341 -8.126 1.00 0.00 C ATOM 838 CE LYS A 55 11.522 2.408 -7.831 1.00 0.00 C ATOM 839 NZ LYS A 55 10.237 1.881 -7.326 1.00 0.00 N ATOM 0 H LYS A 55 11.528 -2.063 -5.735 1.00 0.00 H new ATOM 0 HA LYS A 55 11.391 -1.074 -8.492 1.00 0.00 H new ATOM 0 HB2 LYS A 55 13.597 -1.530 -6.450 1.00 0.00 H new ATOM 0 HB3 LYS A 55 13.912 -1.042 -8.103 1.00 0.00 H new ATOM 0 HG2 LYS A 55 12.156 0.530 -6.168 1.00 0.00 H new ATOM 0 HG3 LYS A 55 13.853 0.865 -6.446 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.479 1.830 -8.498 1.00 0.00 H new ATOM 0 HD3 LYS A 55 12.214 0.695 -8.925 1.00 0.00 H new ATOM 0 HE2 LYS A 55 11.926 3.107 -7.098 1.00 0.00 H new ATOM 0 HE3 LYS A 55 11.333 2.975 -8.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.490 2.590 -7.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.993 1.010 -7.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 10.323 1.671 -6.311 1.00 0.00 H new ATOM 853 N GLY A 56 13.084 -3.038 -9.410 1.00 0.00 N ATOM 854 CA GLY A 56 13.588 -4.201 -10.097 1.00 0.00 C ATOM 855 C GLY A 56 14.444 -5.059 -9.174 1.00 0.00 C ATOM 856 O GLY A 56 15.643 -4.810 -9.033 1.00 0.00 O ATOM 0 H GLY A 56 13.478 -2.169 -9.770 1.00 0.00 H new ATOM 0 HA2 GLY A 56 12.754 -4.792 -10.477 1.00 0.00 H new ATOM 0 HA3 GLY A 56 14.178 -3.890 -10.959 1.00 0.00 H new ATOM 860 N MET A 57 13.830 -6.074 -8.574 1.00 0.00 N ATOM 861 CA MET A 57 14.483 -7.122 -7.789 1.00 0.00 C ATOM 862 C MET A 57 15.609 -7.786 -8.600 1.00 0.00 C ATOM 863 O MET A 57 15.475 -7.974 -9.821 1.00 0.00 O ATOM 864 CB MET A 57 13.406 -8.146 -7.368 1.00 0.00 C ATOM 865 CG MET A 57 13.916 -9.290 -6.473 1.00 0.00 C ATOM 866 SD MET A 57 12.748 -10.658 -6.213 1.00 0.00 S ATOM 867 CE MET A 57 11.408 -9.881 -5.278 1.00 0.00 C ATOM 0 H MET A 57 12.818 -6.196 -8.622 1.00 0.00 H new ATOM 0 HA MET A 57 14.946 -6.696 -6.899 1.00 0.00 H new ATOM 0 HB2 MET A 57 12.610 -7.619 -6.841 1.00 0.00 H new ATOM 0 HB3 MET A 57 12.963 -8.576 -8.266 1.00 0.00 H new ATOM 0 HG2 MET A 57 14.829 -9.693 -6.912 1.00 0.00 H new ATOM 0 HG3 MET A 57 14.186 -8.876 -5.502 1.00 0.00 H new ATOM 0 HE1 MET A 57 10.501 -10.476 -5.380 1.00 0.00 H new ATOM 0 HE2 MET A 57 11.686 -9.820 -4.226 1.00 0.00 H new ATOM 0 HE3 MET A 57 11.229 -8.878 -5.665 1.00 0.00 H new ATOM 877 N VAL A 58 16.696 -8.176 -7.924 1.00 0.00 N ATOM 878 CA VAL A 58 17.862 -8.844 -8.508 1.00 0.00 C ATOM 879 C VAL A 58 18.298 -10.050 -7.662 1.00 0.00 C ATOM 880 O VAL A 58 17.888 -10.191 -6.512 1.00 0.00 O ATOM 881 CB VAL A 58 19.010 -7.837 -8.744 1.00 0.00 C ATOM 882 CG1 VAL A 58 18.572 -6.665 -9.632 1.00 0.00 C ATOM 883 CG2 VAL A 58 19.601 -7.267 -7.449 1.00 0.00 C ATOM 0 H VAL A 58 16.790 -8.029 -6.919 1.00 0.00 H new ATOM 0 HA VAL A 58 17.579 -9.239 -9.484 1.00 0.00 H new ATOM 0 HB VAL A 58 19.783 -8.419 -9.247 1.00 0.00 H new ATOM 0 HG11 VAL A 58 19.410 -5.982 -9.772 1.00 0.00 H new ATOM 0 HG12 VAL A 58 18.247 -7.044 -10.601 1.00 0.00 H new ATOM 0 HG13 VAL A 58 17.747 -6.135 -9.155 1.00 0.00 H new ATOM 0 HG21 VAL A 58 20.401 -6.568 -7.691 1.00 0.00 H new ATOM 0 HG22 VAL A 58 18.822 -6.748 -6.891 1.00 0.00 H new ATOM 0 HG23 VAL A 58 20.001 -8.080 -6.843 1.00 0.00 H new ATOM 893 N PHE A 59 19.130 -10.924 -8.236 1.00 0.00 N ATOM 894 CA PHE A 59 19.595 -12.168 -7.630 1.00 0.00 C ATOM 895 C PHE A 59 20.909 -11.961 -6.874 1.00 0.00 C ATOM 896 O PHE A 59 21.865 -11.425 -7.445 1.00 0.00 O ATOM 897 CB PHE A 59 19.763 -13.221 -8.734 1.00 0.00 C ATOM 898 CG PHE A 59 18.505 -14.014 -9.031 1.00 0.00 C ATOM 899 CD1 PHE A 59 18.223 -15.139 -8.237 1.00 0.00 C ATOM 900 CD2 PHE A 59 17.637 -13.682 -10.096 1.00 0.00 C ATOM 901 CE1 PHE A 59 17.108 -15.937 -8.523 1.00 0.00 C ATOM 902 CE2 PHE A 59 16.526 -14.491 -10.382 1.00 0.00 C ATOM 903 CZ PHE A 59 16.264 -15.627 -9.600 1.00 0.00 C ATOM 0 H PHE A 59 19.511 -10.776 -9.171 1.00 0.00 H new ATOM 0 HA PHE A 59 18.858 -12.510 -6.904 1.00 0.00 H new ATOM 0 HB2 PHE A 59 20.091 -12.725 -9.647 1.00 0.00 H new ATOM 0 HB3 PHE A 59 20.555 -13.912 -8.445 1.00 0.00 H new ATOM 0 HD1 PHE A 59 18.866 -15.388 -7.406 1.00 0.00 H new ATOM 0 HD2 PHE A 59 17.829 -12.802 -10.692 1.00 0.00 H new ATOM 0 HE1 PHE A 59 16.896 -16.799 -7.908 1.00 0.00 H new ATOM 0 HE2 PHE A 59 15.872 -14.239 -11.204 1.00 0.00 H new ATOM 0 HZ PHE A 59 15.418 -16.259 -9.826 1.00 0.00 H new ATOM 913 N LEU A 60 20.984 -12.440 -5.625 1.00 0.00 N ATOM 914 CA LEU A 60 22.228 -12.486 -4.851 1.00 0.00 C ATOM 915 C LEU A 60 23.148 -13.558 -5.441 1.00 0.00 C ATOM 916 O LEU A 60 22.681 -14.501 -6.096 1.00 0.00 O ATOM 917 CB LEU A 60 21.942 -12.835 -3.373 1.00 0.00 C ATOM 918 CG LEU A 60 21.057 -11.820 -2.624 1.00 0.00 C ATOM 919 CD1 LEU A 60 20.748 -12.311 -1.209 1.00 0.00 C ATOM 920 CD2 LEU A 60 21.700 -10.440 -2.514 1.00 0.00 C ATOM 0 H LEU A 60 20.177 -12.808 -5.122 1.00 0.00 H new ATOM 0 HA LEU A 60 22.702 -11.506 -4.898 1.00 0.00 H new ATOM 0 HB2 LEU A 60 21.462 -13.813 -3.333 1.00 0.00 H new ATOM 0 HB3 LEU A 60 22.892 -12.925 -2.846 1.00 0.00 H new ATOM 0 HG LEU A 60 20.144 -11.733 -3.212 1.00 0.00 H new ATOM 0 HD11 LEU A 60 20.122 -11.579 -0.698 1.00 0.00 H new ATOM 0 HD12 LEU A 60 20.222 -13.264 -1.261 1.00 0.00 H new ATOM 0 HD13 LEU A 60 21.679 -12.440 -0.657 1.00 0.00 H new ATOM 0 HD21 LEU A 60 21.030 -9.768 -1.977 1.00 0.00 H new ATOM 0 HD22 LEU A 60 22.643 -10.520 -1.974 1.00 0.00 H new ATOM 0 HD23 LEU A 60 21.886 -10.045 -3.513 1.00 0.00 H new ATOM 932 N LYS A 61 24.457 -13.479 -5.170 1.00 0.00 N ATOM 933 CA LYS A 61 25.347 -14.562 -5.568 1.00 0.00 C ATOM 934 C LYS A 61 25.009 -15.778 -4.723 1.00 0.00 C ATOM 935 O LYS A 61 24.959 -15.674 -3.496 1.00 0.00 O ATOM 936 CB LYS A 61 26.833 -14.178 -5.474 1.00 0.00 C ATOM 937 CG LYS A 61 27.696 -15.103 -6.356 1.00 0.00 C ATOM 938 CD LYS A 61 28.245 -16.381 -5.701 1.00 0.00 C ATOM 939 CE LYS A 61 28.717 -17.411 -6.748 1.00 0.00 C ATOM 940 NZ LYS A 61 29.692 -16.860 -7.713 1.00 0.00 N ATOM 0 H LYS A 61 24.907 -12.699 -4.691 1.00 0.00 H new ATOM 0 HA LYS A 61 25.189 -14.790 -6.622 1.00 0.00 H new ATOM 0 HB2 LYS A 61 26.966 -13.142 -5.787 1.00 0.00 H new ATOM 0 HB3 LYS A 61 27.165 -14.243 -4.438 1.00 0.00 H new ATOM 0 HG2 LYS A 61 27.103 -15.395 -7.222 1.00 0.00 H new ATOM 0 HG3 LYS A 61 28.541 -14.524 -6.729 1.00 0.00 H new ATOM 0 HD2 LYS A 61 29.077 -16.124 -5.045 1.00 0.00 H new ATOM 0 HD3 LYS A 61 27.473 -16.828 -5.075 1.00 0.00 H new ATOM 0 HE2 LYS A 61 29.166 -18.261 -6.234 1.00 0.00 H new ATOM 0 HE3 LYS A 61 27.851 -17.788 -7.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 30.033 -17.621 -8.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 29.234 -16.123 -8.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 30.496 -16.448 -7.197 1.00 0.00 H new ATOM 954 N GLY A 62 24.777 -16.898 -5.400 1.00 0.00 N ATOM 955 CA GLY A 62 24.465 -18.197 -4.818 1.00 0.00 C ATOM 956 C GLY A 62 23.136 -18.744 -5.331 1.00 0.00 C ATOM 957 O GLY A 62 22.925 -19.954 -5.291 1.00 0.00 O ATOM 0 H GLY A 62 24.803 -16.925 -6.419 1.00 0.00 H new ATOM 0 HA2 GLY A 62 25.263 -18.902 -5.053 1.00 0.00 H new ATOM 0 HA3 GLY A 62 24.427 -18.109 -3.732 1.00 0.00 H new ATOM 961 N LYS A 63 22.270 -17.882 -5.891 1.00 0.00 N ATOM 962 CA LYS A 63 20.943 -18.233 -6.409 1.00 0.00 C ATOM 963 C LYS A 63 19.985 -18.725 -5.304 1.00 0.00 C ATOM 964 O LYS A 63 18.881 -19.155 -5.623 1.00 0.00 O ATOM 965 CB LYS A 63 21.089 -19.238 -7.580 1.00 0.00 C ATOM 966 CG LYS A 63 19.986 -19.115 -8.646 1.00 0.00 C ATOM 967 CD LYS A 63 19.878 -20.364 -9.545 1.00 0.00 C ATOM 968 CE LYS A 63 20.012 -20.105 -11.053 1.00 0.00 C ATOM 969 NZ LYS A 63 21.416 -19.905 -11.474 1.00 0.00 N ATOM 0 H LYS A 63 22.485 -16.891 -5.997 1.00 0.00 H new ATOM 0 HA LYS A 63 20.474 -17.329 -6.798 1.00 0.00 H new ATOM 0 HB2 LYS A 63 22.059 -19.089 -8.055 1.00 0.00 H new ATOM 0 HB3 LYS A 63 21.083 -20.252 -7.179 1.00 0.00 H new ATOM 0 HG2 LYS A 63 19.029 -18.944 -8.153 1.00 0.00 H new ATOM 0 HG3 LYS A 63 20.184 -18.242 -9.268 1.00 0.00 H new ATOM 0 HD2 LYS A 63 20.649 -21.074 -9.246 1.00 0.00 H new ATOM 0 HD3 LYS A 63 18.916 -20.842 -9.360 1.00 0.00 H new ATOM 0 HE2 LYS A 63 19.589 -20.947 -11.601 1.00 0.00 H new ATOM 0 HE3 LYS A 63 19.428 -19.224 -11.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 21.450 -19.734 -12.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 21.815 -19.086 -10.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 21.971 -20.754 -11.246 1.00 0.00 H new ATOM 983 N LEU A 64 20.360 -18.645 -4.024 1.00 0.00 N ATOM 984 CA LEU A 64 19.537 -19.020 -2.868 1.00 0.00 C ATOM 985 C LEU A 64 18.922 -17.764 -2.226 1.00 0.00 C ATOM 986 O LEU A 64 18.464 -17.793 -1.082 1.00 0.00 O ATOM 987 CB LEU A 64 20.371 -19.782 -1.818 1.00 0.00 C ATOM 988 CG LEU A 64 21.174 -21.005 -2.324 1.00 0.00 C ATOM 989 CD1 LEU A 64 22.592 -21.005 -1.742 1.00 0.00 C ATOM 990 CD2 LEU A 64 20.494 -22.322 -1.948 1.00 0.00 C ATOM 0 H LEU A 64 21.282 -18.304 -3.753 1.00 0.00 H new ATOM 0 HA LEU A 64 18.741 -19.676 -3.220 1.00 0.00 H new ATOM 0 HB2 LEU A 64 21.070 -19.080 -1.364 1.00 0.00 H new ATOM 0 HB3 LEU A 64 19.699 -20.119 -1.029 1.00 0.00 H new ATOM 0 HG LEU A 64 21.218 -20.924 -3.410 1.00 0.00 H new ATOM 0 HD11 LEU A 64 23.137 -21.874 -2.112 1.00 0.00 H new ATOM 0 HD12 LEU A 64 23.110 -20.095 -2.046 1.00 0.00 H new ATOM 0 HD13 LEU A 64 22.539 -21.046 -0.654 1.00 0.00 H new ATOM 0 HD21 LEU A 64 21.087 -23.157 -2.320 1.00 0.00 H new ATOM 0 HD22 LEU A 64 20.410 -22.392 -0.863 1.00 0.00 H new ATOM 0 HD23 LEU A 64 19.499 -22.357 -2.392 1.00 0.00 H new ATOM 1002 N GLY A 65 18.960 -16.619 -2.911 1.00 0.00 N ATOM 1003 CA GLY A 65 18.486 -15.368 -2.370 1.00 0.00 C ATOM 1004 C GLY A 65 18.472 -14.270 -3.423 1.00 0.00 C ATOM 1005 O GLY A 65 19.037 -14.423 -4.512 1.00 0.00 O ATOM 0 H GLY A 65 19.325 -16.546 -3.861 1.00 0.00 H new ATOM 0 HA2 GLY A 65 17.481 -15.502 -1.970 1.00 0.00 H new ATOM 0 HA3 GLY A 65 19.123 -15.067 -1.538 1.00 0.00 H new ATOM 1009 N VAL A 66 17.792 -13.179 -3.092 1.00 0.00 N ATOM 1010 CA VAL A 66 17.492 -12.045 -3.960 1.00 0.00 C ATOM 1011 C VAL A 66 17.534 -10.779 -3.094 1.00 0.00 C ATOM 1012 O VAL A 66 17.506 -10.873 -1.864 1.00 0.00 O ATOM 1013 CB VAL A 66 16.129 -12.265 -4.673 1.00 0.00 C ATOM 1014 CG1 VAL A 66 16.247 -13.144 -5.933 1.00 0.00 C ATOM 1015 CG2 VAL A 66 14.965 -12.493 -3.698 1.00 0.00 C ATOM 0 H VAL A 66 17.412 -13.054 -2.154 1.00 0.00 H new ATOM 0 HA VAL A 66 18.226 -11.938 -4.758 1.00 0.00 H new ATOM 0 HB VAL A 66 15.810 -11.325 -5.123 1.00 0.00 H new ATOM 0 HG11 VAL A 66 15.263 -13.262 -6.388 1.00 0.00 H new ATOM 0 HG12 VAL A 66 16.922 -12.670 -6.646 1.00 0.00 H new ATOM 0 HG13 VAL A 66 16.640 -14.123 -5.658 1.00 0.00 H new ATOM 0 HG21 VAL A 66 14.043 -12.640 -4.260 1.00 0.00 H new ATOM 0 HG22 VAL A 66 15.165 -13.377 -3.092 1.00 0.00 H new ATOM 0 HG23 VAL A 66 14.859 -11.624 -3.048 1.00 0.00 H new ATOM 1025 N CYS A 67 17.603 -9.596 -3.697 1.00 0.00 N ATOM 1026 CA CYS A 67 17.444 -8.316 -3.017 1.00 0.00 C ATOM 1027 C CYS A 67 16.623 -7.385 -3.907 1.00 0.00 C ATOM 1028 O CYS A 67 16.470 -7.631 -5.106 1.00 0.00 O ATOM 1029 CB CYS A 67 18.801 -7.707 -2.634 1.00 0.00 C ATOM 1030 SG CYS A 67 19.949 -7.629 -4.033 1.00 0.00 S ATOM 0 H CYS A 67 17.775 -9.499 -4.698 1.00 0.00 H new ATOM 0 HA CYS A 67 16.910 -8.466 -2.079 1.00 0.00 H new ATOM 0 HB2 CYS A 67 18.646 -6.703 -2.239 1.00 0.00 H new ATOM 0 HB3 CYS A 67 19.248 -8.298 -1.835 1.00 0.00 H new ATOM 0 HG CYS A 67 21.073 -7.104 -3.644 1.00 0.00 H new ATOM 1036 N PHE A 68 16.050 -6.342 -3.314 1.00 0.00 N ATOM 1037 CA PHE A 68 15.254 -5.330 -4.012 1.00 0.00 C ATOM 1038 C PHE A 68 15.160 -4.049 -3.182 1.00 0.00 C ATOM 1039 O PHE A 68 15.470 -4.098 -1.989 1.00 0.00 O ATOM 1040 CB PHE A 68 13.857 -5.883 -4.314 1.00 0.00 C ATOM 1041 CG PHE A 68 13.076 -6.350 -3.105 1.00 0.00 C ATOM 1042 CD1 PHE A 68 12.414 -5.426 -2.284 1.00 0.00 C ATOM 1043 CD2 PHE A 68 13.025 -7.720 -2.794 1.00 0.00 C ATOM 1044 CE1 PHE A 68 11.697 -5.864 -1.159 1.00 0.00 C ATOM 1045 CE2 PHE A 68 12.285 -8.162 -1.685 1.00 0.00 C ATOM 1046 CZ PHE A 68 11.625 -7.236 -0.861 1.00 0.00 C ATOM 0 H PHE A 68 16.126 -6.170 -2.311 1.00 0.00 H new ATOM 0 HA PHE A 68 15.746 -5.085 -4.953 1.00 0.00 H new ATOM 0 HB2 PHE A 68 13.280 -5.111 -4.824 1.00 0.00 H new ATOM 0 HB3 PHE A 68 13.956 -6.718 -5.008 1.00 0.00 H new ATOM 0 HD1 PHE A 68 12.456 -4.372 -2.518 1.00 0.00 H new ATOM 0 HD2 PHE A 68 13.555 -8.433 -3.408 1.00 0.00 H new ATOM 0 HE1 PHE A 68 11.201 -5.147 -0.522 1.00 0.00 H new ATOM 0 HE2 PHE A 68 12.223 -9.218 -1.465 1.00 0.00 H new ATOM 0 HZ PHE A 68 11.065 -7.576 -0.003 1.00 0.00 H new ATOM 1056 N ASP A 69 14.670 -2.946 -3.766 1.00 0.00 N ATOM 1057 CA ASP A 69 14.580 -1.600 -3.170 1.00 0.00 C ATOM 1058 C ASP A 69 13.118 -1.142 -3.012 1.00 0.00 C ATOM 1059 O ASP A 69 12.291 -1.341 -3.921 1.00 0.00 O ATOM 1060 CB ASP A 69 15.319 -0.569 -4.044 1.00 0.00 C ATOM 1061 CG ASP A 69 16.797 -0.869 -4.290 1.00 0.00 C ATOM 1062 OD1 ASP A 69 17.619 -0.593 -3.384 1.00 0.00 O ATOM 1063 OD2 ASP A 69 17.129 -1.340 -5.409 1.00 0.00 O ATOM 0 H ASP A 69 14.305 -2.967 -4.718 1.00 0.00 H new ATOM 0 HA ASP A 69 15.043 -1.661 -2.185 1.00 0.00 H new ATOM 0 HB2 ASP A 69 14.813 -0.502 -5.007 1.00 0.00 H new ATOM 0 HB3 ASP A 69 15.237 0.410 -3.572 1.00 0.00 H new ATOM 1068 N VAL A 70 12.797 -0.477 -1.890 1.00 0.00 N ATOM 1069 CA VAL A 70 11.483 0.133 -1.653 1.00 0.00 C ATOM 1070 C VAL A 70 11.605 1.569 -1.119 1.00 0.00 C ATOM 1071 O VAL A 70 12.642 1.926 -0.546 1.00 0.00 O ATOM 1072 CB VAL A 70 10.611 -0.746 -0.728 1.00 0.00 C ATOM 1073 CG1 VAL A 70 10.281 -2.098 -1.373 1.00 0.00 C ATOM 1074 CG2 VAL A 70 11.191 -0.928 0.678 1.00 0.00 C ATOM 0 H VAL A 70 13.450 -0.348 -1.117 1.00 0.00 H new ATOM 0 HA VAL A 70 10.979 0.194 -2.617 1.00 0.00 H new ATOM 0 HB VAL A 70 9.680 -0.194 -0.599 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.667 -2.686 -0.691 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.736 -1.934 -2.303 1.00 0.00 H new ATOM 0 HG13 VAL A 70 11.205 -2.636 -1.584 1.00 0.00 H new ATOM 0 HG21 VAL A 70 10.524 -1.556 1.268 1.00 0.00 H new ATOM 0 HG22 VAL A 70 12.170 -1.403 0.609 1.00 0.00 H new ATOM 0 HG23 VAL A 70 11.293 0.045 1.158 1.00 0.00 H new ATOM 1084 N PRO A 71 10.539 2.390 -1.237 1.00 0.00 N ATOM 1085 CA PRO A 71 10.486 3.684 -0.579 1.00 0.00 C ATOM 1086 C PRO A 71 10.533 3.535 0.927 1.00 0.00 C ATOM 1087 O PRO A 71 10.078 2.539 1.488 1.00 0.00 O ATOM 1088 CB PRO A 71 9.166 4.343 -0.975 1.00 0.00 C ATOM 1089 CG PRO A 71 8.308 3.195 -1.483 1.00 0.00 C ATOM 1090 CD PRO A 71 9.328 2.198 -2.026 1.00 0.00 C ATOM 0 HA PRO A 71 11.343 4.284 -0.883 1.00 0.00 H new ATOM 0 HB2 PRO A 71 8.700 4.842 -0.125 1.00 0.00 H new ATOM 0 HB3 PRO A 71 9.315 5.099 -1.746 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.707 2.759 -0.684 1.00 0.00 H new ATOM 0 HG3 PRO A 71 7.617 3.524 -2.259 1.00 0.00 H new ATOM 0 HD2 PRO A 71 8.961 1.176 -1.934 1.00 0.00 H new ATOM 0 HD3 PRO A 71 9.520 2.374 -3.084 1.00 0.00 H new ATOM 1098 N THR A 72 11.003 4.593 1.576 1.00 0.00 N ATOM 1099 CA THR A 72 11.251 4.686 3.002 1.00 0.00 C ATOM 1100 C THR A 72 10.038 4.265 3.836 1.00 0.00 C ATOM 1101 O THR A 72 10.205 3.585 4.842 1.00 0.00 O ATOM 1102 CB THR A 72 11.645 6.143 3.296 1.00 0.00 C ATOM 1103 OG1 THR A 72 12.449 6.662 2.255 1.00 0.00 O ATOM 1104 CG2 THR A 72 12.394 6.289 4.611 1.00 0.00 C ATOM 0 H THR A 72 11.234 5.459 1.088 1.00 0.00 H new ATOM 0 HA THR A 72 12.050 3.999 3.281 1.00 0.00 H new ATOM 0 HB THR A 72 10.713 6.704 3.368 1.00 0.00 H new ATOM 0 HG1 THR A 72 13.110 5.990 1.986 1.00 0.00 H new ATOM 0 HG21 THR A 72 12.649 7.337 4.770 1.00 0.00 H new ATOM 0 HG22 THR A 72 11.764 5.940 5.429 1.00 0.00 H new ATOM 0 HG23 THR A 72 13.307 5.695 4.578 1.00 0.00 H new ATOM 1112 N ALA A 73 8.823 4.623 3.412 1.00 0.00 N ATOM 1113 CA ALA A 73 7.623 4.248 4.145 1.00 0.00 C ATOM 1114 C ALA A 73 7.298 2.761 3.960 1.00 0.00 C ATOM 1115 O ALA A 73 6.874 2.099 4.906 1.00 0.00 O ATOM 1116 CB ALA A 73 6.471 5.131 3.680 1.00 0.00 C ATOM 0 H ALA A 73 8.650 5.169 2.568 1.00 0.00 H new ATOM 0 HA ALA A 73 7.787 4.400 5.212 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.564 4.861 4.221 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.712 6.176 3.874 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.312 4.988 2.611 1.00 0.00 H new ATOM 1122 N SER A 74 7.532 2.216 2.761 1.00 0.00 N ATOM 1123 CA SER A 74 7.315 0.799 2.520 1.00 0.00 C ATOM 1124 C SER A 74 8.293 -0.060 3.307 1.00 0.00 C ATOM 1125 O SER A 74 7.927 -1.181 3.631 1.00 0.00 O ATOM 1126 CB SER A 74 7.382 0.451 1.036 1.00 0.00 C ATOM 1127 OG SER A 74 6.149 0.751 0.410 1.00 0.00 O ATOM 0 H SER A 74 7.869 2.737 1.952 1.00 0.00 H new ATOM 0 HA SER A 74 6.306 0.579 2.869 1.00 0.00 H new ATOM 0 HB2 SER A 74 8.187 1.011 0.559 1.00 0.00 H new ATOM 0 HB3 SER A 74 7.613 -0.607 0.913 1.00 0.00 H new ATOM 0 HG SER A 74 6.202 0.526 -0.542 1.00 0.00 H new ATOM 1133 N VAL A 75 9.491 0.436 3.648 1.00 0.00 N ATOM 1134 CA VAL A 75 10.451 -0.282 4.498 1.00 0.00 C ATOM 1135 C VAL A 75 9.719 -0.820 5.728 1.00 0.00 C ATOM 1136 O VAL A 75 9.673 -2.031 5.976 1.00 0.00 O ATOM 1137 CB VAL A 75 11.651 0.623 4.883 1.00 0.00 C ATOM 1138 CG1 VAL A 75 12.701 -0.077 5.760 1.00 0.00 C ATOM 1139 CG2 VAL A 75 12.414 1.152 3.659 1.00 0.00 C ATOM 0 H VAL A 75 9.822 1.350 3.341 1.00 0.00 H new ATOM 0 HA VAL A 75 10.870 -1.123 3.945 1.00 0.00 H new ATOM 0 HB VAL A 75 11.177 1.433 5.436 1.00 0.00 H new ATOM 0 HG11 VAL A 75 13.508 0.619 5.987 1.00 0.00 H new ATOM 0 HG12 VAL A 75 12.237 -0.409 6.688 1.00 0.00 H new ATOM 0 HG13 VAL A 75 13.104 -0.938 5.227 1.00 0.00 H new ATOM 0 HG21 VAL A 75 13.242 1.779 3.990 1.00 0.00 H new ATOM 0 HG22 VAL A 75 12.802 0.313 3.081 1.00 0.00 H new ATOM 0 HG23 VAL A 75 11.740 1.740 3.036 1.00 0.00 H new ATOM 1149 N THR A 76 9.066 0.087 6.447 1.00 0.00 N ATOM 1150 CA THR A 76 8.281 -0.231 7.620 1.00 0.00 C ATOM 1151 C THR A 76 7.152 -1.198 7.254 1.00 0.00 C ATOM 1152 O THR A 76 7.002 -2.242 7.886 1.00 0.00 O ATOM 1153 CB THR A 76 7.759 1.100 8.212 1.00 0.00 C ATOM 1154 OG1 THR A 76 8.804 2.067 8.276 1.00 0.00 O ATOM 1155 CG2 THR A 76 7.178 0.925 9.616 1.00 0.00 C ATOM 0 H THR A 76 9.072 1.082 6.221 1.00 0.00 H new ATOM 0 HA THR A 76 8.883 -0.738 8.374 1.00 0.00 H new ATOM 0 HB THR A 76 6.966 1.440 7.546 1.00 0.00 H new ATOM 0 HG1 THR A 76 8.454 2.902 8.651 1.00 0.00 H new ATOM 0 HG21 THR A 76 6.826 1.888 9.987 1.00 0.00 H new ATOM 0 HG22 THR A 76 6.345 0.223 9.580 1.00 0.00 H new ATOM 0 HG23 THR A 76 7.949 0.539 10.283 1.00 0.00 H new ATOM 1163 N GLU A 77 6.414 -0.895 6.188 1.00 0.00 N ATOM 1164 CA GLU A 77 5.235 -1.618 5.721 1.00 0.00 C ATOM 1165 C GLU A 77 5.532 -3.055 5.244 1.00 0.00 C ATOM 1166 O GLU A 77 4.615 -3.758 4.813 1.00 0.00 O ATOM 1167 CB GLU A 77 4.582 -0.760 4.616 1.00 0.00 C ATOM 1168 CG GLU A 77 3.050 -0.819 4.597 1.00 0.00 C ATOM 1169 CD GLU A 77 2.470 0.593 4.482 1.00 0.00 C ATOM 1170 OE1 GLU A 77 2.491 1.154 3.356 1.00 0.00 O ATOM 1171 OE2 GLU A 77 2.049 1.144 5.532 1.00 0.00 O ATOM 0 H GLU A 77 6.635 -0.095 5.595 1.00 0.00 H new ATOM 0 HA GLU A 77 4.550 -1.760 6.557 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.893 0.277 4.745 1.00 0.00 H new ATOM 0 HB3 GLU A 77 4.959 -1.087 3.647 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.712 -1.429 3.759 1.00 0.00 H new ATOM 0 HG3 GLU A 77 2.686 -1.297 5.506 1.00 0.00 H new ATOM 1178 N ILE A 78 6.787 -3.515 5.279 1.00 0.00 N ATOM 1179 CA ILE A 78 7.167 -4.909 5.041 1.00 0.00 C ATOM 1180 C ILE A 78 7.736 -5.482 6.331 1.00 0.00 C ATOM 1181 O ILE A 78 7.370 -6.587 6.736 1.00 0.00 O ATOM 1182 CB ILE A 78 8.203 -5.031 3.907 1.00 0.00 C ATOM 1183 CG1 ILE A 78 7.732 -4.380 2.590 1.00 0.00 C ATOM 1184 CG2 ILE A 78 8.573 -6.504 3.667 1.00 0.00 C ATOM 1185 CD1 ILE A 78 8.877 -3.581 1.974 1.00 0.00 C ATOM 0 H ILE A 78 7.585 -2.912 5.479 1.00 0.00 H new ATOM 0 HA ILE A 78 6.283 -5.467 4.733 1.00 0.00 H new ATOM 0 HB ILE A 78 9.086 -4.483 4.235 1.00 0.00 H new ATOM 0 HG12 ILE A 78 7.395 -5.148 1.893 1.00 0.00 H new ATOM 0 HG13 ILE A 78 6.881 -3.727 2.780 1.00 0.00 H new ATOM 0 HG21 ILE A 78 9.306 -6.569 2.863 1.00 0.00 H new ATOM 0 HG22 ILE A 78 8.997 -6.926 4.578 1.00 0.00 H new ATOM 0 HG23 ILE A 78 7.679 -7.063 3.390 1.00 0.00 H new ATOM 0 HD11 ILE A 78 8.541 -3.122 1.044 1.00 0.00 H new ATOM 0 HD12 ILE A 78 9.193 -2.803 2.669 1.00 0.00 H new ATOM 0 HD13 ILE A 78 9.716 -4.246 1.769 1.00 0.00 H new ATOM 1197 N GLN A 79 8.657 -4.751 6.961 1.00 0.00 N ATOM 1198 CA GLN A 79 9.343 -5.205 8.161 1.00 0.00 C ATOM 1199 C GLN A 79 8.336 -5.473 9.282 1.00 0.00 C ATOM 1200 O GLN A 79 8.536 -6.413 10.053 1.00 0.00 O ATOM 1201 CB GLN A 79 10.389 -4.167 8.572 1.00 0.00 C ATOM 1202 CG GLN A 79 11.539 -4.057 7.573 1.00 0.00 C ATOM 1203 CD GLN A 79 12.704 -4.950 7.952 1.00 0.00 C ATOM 1204 OE1 GLN A 79 13.106 -5.867 7.104 1.00 0.00 O flip ATOM 1205 NE2 GLN A 79 13.262 -4.868 9.039 1.00 0.00 N flip ATOM 0 H GLN A 79 8.946 -3.824 6.648 1.00 0.00 H new ATOM 0 HA GLN A 79 9.857 -6.145 7.958 1.00 0.00 H new ATOM 0 HB2 GLN A 79 9.908 -3.194 8.674 1.00 0.00 H new ATOM 0 HB3 GLN A 79 10.789 -4.429 9.552 1.00 0.00 H new ATOM 0 HG2 GLN A 79 11.183 -4.327 6.579 1.00 0.00 H new ATOM 0 HG3 GLN A 79 11.877 -3.022 7.521 1.00 0.00 H new ATOM 0 HE21 GLN A 79 12.965 -4.162 9.713 1.00 0.00 H new ATOM 0 HE22 GLN A 79 14.024 -5.506 9.271 1.00 0.00 H new ATOM 1214 N GLU A 80 7.213 -4.751 9.322 1.00 0.00 N ATOM 1215 CA GLU A 80 6.150 -4.940 10.284 1.00 0.00 C ATOM 1216 C GLU A 80 5.173 -6.057 9.878 1.00 0.00 C ATOM 1217 O GLU A 80 4.341 -6.472 10.690 1.00 0.00 O ATOM 1218 CB GLU A 80 5.372 -3.627 10.342 1.00 0.00 C ATOM 1219 CG GLU A 80 6.016 -2.602 11.280 1.00 0.00 C ATOM 1220 CD GLU A 80 4.922 -1.838 12.003 1.00 0.00 C ATOM 1221 OE1 GLU A 80 4.179 -1.059 11.371 1.00 0.00 O ATOM 1222 OE2 GLU A 80 4.686 -2.133 13.200 1.00 0.00 O ATOM 0 H GLU A 80 7.023 -3.998 8.661 1.00 0.00 H new ATOM 0 HA GLU A 80 6.589 -5.224 11.240 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.304 -3.204 9.340 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.353 -3.827 10.673 1.00 0.00 H new ATOM 0 HG2 GLU A 80 6.663 -3.104 11.999 1.00 0.00 H new ATOM 0 HG3 GLU A 80 6.643 -1.915 10.713 1.00 0.00 H new ATOM 1229 N LYS A 81 5.222 -6.528 8.627 1.00 0.00 N ATOM 1230 CA LYS A 81 4.130 -7.266 7.982 1.00 0.00 C ATOM 1231 C LYS A 81 4.556 -8.630 7.441 1.00 0.00 C ATOM 1232 O LYS A 81 3.757 -9.314 6.800 1.00 0.00 O ATOM 1233 CB LYS A 81 3.508 -6.378 6.884 1.00 0.00 C ATOM 1234 CG LYS A 81 2.706 -5.174 7.407 1.00 0.00 C ATOM 1235 CD LYS A 81 1.217 -5.467 7.634 1.00 0.00 C ATOM 1236 CE LYS A 81 0.986 -6.687 8.527 1.00 0.00 C ATOM 1237 NZ LYS A 81 -0.381 -6.732 9.070 1.00 0.00 N ATOM 0 H LYS A 81 6.035 -6.405 8.024 1.00 0.00 H new ATOM 0 HA LYS A 81 3.380 -7.491 8.740 1.00 0.00 H new ATOM 0 HB2 LYS A 81 4.305 -6.012 6.237 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.853 -6.993 6.267 1.00 0.00 H new ATOM 0 HG2 LYS A 81 3.147 -4.837 8.345 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.800 -4.352 6.697 1.00 0.00 H new ATOM 0 HD2 LYS A 81 0.744 -4.595 8.087 1.00 0.00 H new ATOM 0 HD3 LYS A 81 0.732 -5.629 6.672 1.00 0.00 H new ATOM 0 HE2 LYS A 81 1.177 -7.595 7.955 1.00 0.00 H new ATOM 0 HE3 LYS A 81 1.701 -6.673 9.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -0.489 -7.576 9.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -0.557 -5.879 9.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -1.064 -6.773 8.287 1.00 0.00 H new ATOM 1251 N TRP A 82 5.795 -9.036 7.687 1.00 0.00 N ATOM 1252 CA TRP A 82 6.304 -10.360 7.409 1.00 0.00 C ATOM 1253 C TRP A 82 6.010 -11.328 8.579 1.00 0.00 C ATOM 1254 O TRP A 82 5.548 -10.925 9.652 1.00 0.00 O ATOM 1255 CB TRP A 82 7.803 -10.146 7.199 1.00 0.00 C ATOM 1256 CG TRP A 82 8.596 -11.341 6.839 1.00 0.00 C ATOM 1257 CD1 TRP A 82 9.560 -11.888 7.608 1.00 0.00 C ATOM 1258 CD2 TRP A 82 8.502 -12.160 5.638 1.00 0.00 C ATOM 1259 NE1 TRP A 82 10.085 -12.973 6.948 1.00 0.00 N ATOM 1260 CE2 TRP A 82 9.436 -13.225 5.763 1.00 0.00 C ATOM 1261 CE3 TRP A 82 7.745 -12.087 4.451 1.00 0.00 C ATOM 1262 CZ2 TRP A 82 9.608 -14.186 4.763 1.00 0.00 C ATOM 1263 CZ3 TRP A 82 7.893 -13.056 3.442 1.00 0.00 C ATOM 1264 CH2 TRP A 82 8.827 -14.095 3.594 1.00 0.00 C ATOM 0 H TRP A 82 6.496 -8.422 8.102 1.00 0.00 H new ATOM 0 HA TRP A 82 5.834 -10.821 6.540 1.00 0.00 H new ATOM 0 HB2 TRP A 82 7.935 -9.400 6.415 1.00 0.00 H new ATOM 0 HB3 TRP A 82 8.219 -9.724 8.114 1.00 0.00 H new ATOM 0 HD1 TRP A 82 9.868 -11.532 8.580 1.00 0.00 H new ATOM 0 HE1 TRP A 82 10.867 -13.528 7.297 1.00 0.00 H new ATOM 0 HE3 TRP A 82 7.043 -11.278 4.315 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 10.326 -14.983 4.884 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 7.288 -13.001 2.549 1.00 0.00 H new ATOM 0 HH2 TRP A 82 8.947 -14.828 2.810 1.00 0.00 H new ATOM 1275 N HIS A 83 6.297 -12.619 8.395 1.00 0.00 N ATOM 1276 CA HIS A 83 6.597 -13.582 9.452 1.00 0.00 C ATOM 1277 C HIS A 83 7.684 -14.521 8.923 1.00 0.00 C ATOM 1278 O HIS A 83 7.489 -15.119 7.862 1.00 0.00 O ATOM 1279 CB HIS A 83 5.352 -14.395 9.837 1.00 0.00 C ATOM 1280 CG HIS A 83 4.394 -13.647 10.727 1.00 0.00 C ATOM 1281 ND1 HIS A 83 4.625 -13.293 12.034 1.00 0.00 N ATOM 1282 CD2 HIS A 83 3.125 -13.248 10.412 1.00 0.00 C ATOM 1283 CE1 HIS A 83 3.507 -12.711 12.496 1.00 0.00 C ATOM 1284 NE2 HIS A 83 2.552 -12.672 11.551 1.00 0.00 N ATOM 0 H HIS A 83 6.327 -13.037 7.465 1.00 0.00 H new ATOM 0 HA HIS A 83 6.931 -13.054 10.345 1.00 0.00 H new ATOM 0 HB2 HIS A 83 4.830 -14.697 8.929 1.00 0.00 H new ATOM 0 HB3 HIS A 83 5.667 -15.308 10.342 1.00 0.00 H new ATOM 0 HD2 HIS A 83 2.647 -13.358 9.450 1.00 0.00 H new ATOM 0 HE1 HIS A 83 3.390 -12.324 13.498 1.00 0.00 H new ATOM 0 HE2 HIS A 83 1.607 -12.300 11.645 1.00 0.00 H new ATOM 1292 N ASP A 84 8.826 -14.629 9.613 1.00 0.00 N ATOM 1293 CA ASP A 84 9.945 -15.465 9.177 1.00 0.00 C ATOM 1294 C ASP A 84 9.557 -16.933 9.240 1.00 0.00 C ATOM 1295 O ASP A 84 9.370 -17.532 10.310 1.00 0.00 O ATOM 1296 CB ASP A 84 11.233 -15.195 9.951 1.00 0.00 C ATOM 1297 CG ASP A 84 11.829 -13.861 9.534 1.00 0.00 C ATOM 1298 OD1 ASP A 84 12.309 -13.757 8.392 1.00 0.00 O ATOM 1299 OD2 ASP A 84 11.712 -12.885 10.308 1.00 0.00 O ATOM 0 H ASP A 84 8.998 -14.138 10.490 1.00 0.00 H new ATOM 0 HA ASP A 84 10.161 -15.199 8.142 1.00 0.00 H new ATOM 0 HB2 ASP A 84 11.028 -15.191 11.022 1.00 0.00 H new ATOM 0 HB3 ASP A 84 11.950 -15.995 9.767 1.00 0.00 H new ATOM 1304 N SER A 85 9.361 -17.465 8.042 1.00 0.00 N ATOM 1305 CA SER A 85 9.019 -18.839 7.737 1.00 0.00 C ATOM 1306 C SER A 85 10.192 -19.763 8.091 1.00 0.00 C ATOM 1307 O SER A 85 11.331 -19.336 8.312 1.00 0.00 O ATOM 1308 CB SER A 85 8.633 -18.881 6.244 1.00 0.00 C ATOM 1309 OG SER A 85 8.378 -20.182 5.744 1.00 0.00 O ATOM 0 H SER A 85 9.444 -16.901 7.196 1.00 0.00 H new ATOM 0 HA SER A 85 8.176 -19.198 8.328 1.00 0.00 H new ATOM 0 HB2 SER A 85 7.746 -18.266 6.093 1.00 0.00 H new ATOM 0 HB3 SER A 85 9.436 -18.431 5.660 1.00 0.00 H new ATOM 0 HG SER A 85 8.139 -20.127 4.795 1.00 0.00 H new ATOM 1315 N ARG A 86 9.927 -21.068 8.074 1.00 0.00 N ATOM 1316 CA ARG A 86 10.953 -22.096 8.237 1.00 0.00 C ATOM 1317 C ARG A 86 11.896 -22.142 7.034 1.00 0.00 C ATOM 1318 O ARG A 86 12.995 -22.684 7.160 1.00 0.00 O ATOM 1319 CB ARG A 86 10.267 -23.453 8.472 1.00 0.00 C ATOM 1320 CG ARG A 86 9.628 -23.486 9.870 1.00 0.00 C ATOM 1321 CD ARG A 86 8.903 -24.796 10.189 1.00 0.00 C ATOM 1322 NE ARG A 86 7.726 -25.027 9.335 1.00 0.00 N ATOM 1323 CZ ARG A 86 6.490 -24.548 9.498 1.00 0.00 C ATOM 1324 NH1 ARG A 86 6.245 -23.651 10.453 1.00 0.00 N ATOM 1325 NH2 ARG A 86 5.512 -24.991 8.721 1.00 0.00 N ATOM 0 H ARG A 86 8.988 -21.444 7.946 1.00 0.00 H new ATOM 0 HA ARG A 86 11.570 -21.854 9.102 1.00 0.00 H new ATOM 0 HB2 ARG A 86 9.505 -23.621 7.711 1.00 0.00 H new ATOM 0 HB3 ARG A 86 10.995 -24.259 8.377 1.00 0.00 H new ATOM 0 HG2 ARG A 86 10.404 -23.320 10.617 1.00 0.00 H new ATOM 0 HG3 ARG A 86 8.921 -22.661 9.955 1.00 0.00 H new ATOM 0 HD2 ARG A 86 9.598 -25.627 10.072 1.00 0.00 H new ATOM 0 HD3 ARG A 86 8.591 -24.787 11.233 1.00 0.00 H new ATOM 0 HE ARG A 86 7.872 -25.624 8.521 1.00 0.00 H new ATOM 0 HH11 ARG A 86 7.001 -23.331 11.058 1.00 0.00 H new ATOM 0 HH12 ARG A 86 5.301 -23.284 10.578 1.00 0.00 H new ATOM 0 HH21 ARG A 86 5.706 -25.692 8.006 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.565 -24.631 8.838 1.00 0.00 H new ATOM 1339 N ARG A 87 11.490 -21.589 5.882 1.00 0.00 N ATOM 1340 CA ARG A 87 12.260 -21.633 4.638 1.00 0.00 C ATOM 1341 C ARG A 87 12.841 -20.270 4.248 1.00 0.00 C ATOM 1342 O ARG A 87 13.559 -20.184 3.252 1.00 0.00 O ATOM 1343 CB ARG A 87 11.367 -22.193 3.515 1.00 0.00 C ATOM 1344 CG ARG A 87 12.181 -22.815 2.373 1.00 0.00 C ATOM 1345 CD ARG A 87 11.403 -22.993 1.070 1.00 0.00 C ATOM 1346 NE ARG A 87 10.114 -23.683 1.210 1.00 0.00 N ATOM 1347 CZ ARG A 87 9.916 -24.958 1.569 1.00 0.00 C ATOM 1348 NH1 ARG A 87 10.916 -25.716 2.010 1.00 0.00 N ATOM 1349 NH2 ARG A 87 8.699 -25.469 1.462 1.00 0.00 N ATOM 0 H ARG A 87 10.604 -21.092 5.791 1.00 0.00 H new ATOM 0 HA ARG A 87 13.117 -22.288 4.796 1.00 0.00 H new ATOM 0 HB2 ARG A 87 10.696 -22.945 3.930 1.00 0.00 H new ATOM 0 HB3 ARG A 87 10.743 -21.392 3.118 1.00 0.00 H new ATOM 0 HG2 ARG A 87 13.052 -22.188 2.180 1.00 0.00 H new ATOM 0 HG3 ARG A 87 12.553 -23.787 2.696 1.00 0.00 H new ATOM 0 HD2 ARG A 87 11.227 -22.011 0.631 1.00 0.00 H new ATOM 0 HD3 ARG A 87 12.022 -23.550 0.367 1.00 0.00 H new ATOM 0 HE ARG A 87 9.279 -23.131 1.012 1.00 0.00 H new ATOM 0 HH11 ARG A 87 11.857 -25.329 2.080 1.00 0.00 H new ATOM 0 HH12 ARG A 87 10.742 -26.685 2.278 1.00 0.00 H new ATOM 0 HH21 ARG A 87 7.933 -24.894 1.111 1.00 0.00 H new ATOM 0 HH22 ARG A 87 8.527 -26.438 1.730 1.00 0.00 H new ATOM 1363 N TRP A 88 12.511 -19.196 4.962 1.00 0.00 N ATOM 1364 CA TRP A 88 12.836 -17.844 4.540 1.00 0.00 C ATOM 1365 C TRP A 88 13.205 -17.029 5.764 1.00 0.00 C ATOM 1366 O TRP A 88 12.451 -17.036 6.739 1.00 0.00 O ATOM 1367 CB TRP A 88 11.623 -17.219 3.845 1.00 0.00 C ATOM 1368 CG TRP A 88 11.149 -17.886 2.592 1.00 0.00 C ATOM 1369 CD1 TRP A 88 10.224 -18.868 2.513 1.00 0.00 C ATOM 1370 CD2 TRP A 88 11.509 -17.578 1.217 1.00 0.00 C ATOM 1371 NE1 TRP A 88 10.028 -19.219 1.194 1.00 0.00 N ATOM 1372 CE2 TRP A 88 10.746 -18.406 0.346 1.00 0.00 C ATOM 1373 CE3 TRP A 88 12.379 -16.646 0.620 1.00 0.00 C ATOM 1374 CZ2 TRP A 88 10.822 -18.288 -1.049 1.00 0.00 C ATOM 1375 CZ3 TRP A 88 12.468 -16.514 -0.774 1.00 0.00 C ATOM 1376 CH2 TRP A 88 11.685 -17.332 -1.608 1.00 0.00 C ATOM 0 H TRP A 88 12.010 -19.243 5.849 1.00 0.00 H new ATOM 0 HA TRP A 88 13.673 -17.861 3.842 1.00 0.00 H new ATOM 0 HB2 TRP A 88 10.796 -17.201 4.555 1.00 0.00 H new ATOM 0 HB3 TRP A 88 11.863 -16.182 3.609 1.00 0.00 H new ATOM 0 HD1 TRP A 88 9.715 -19.311 3.356 1.00 0.00 H new ATOM 0 HE1 TRP A 88 9.427 -19.984 0.886 1.00 0.00 H new ATOM 0 HE3 TRP A 88 12.992 -16.018 1.250 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 10.225 -18.924 -1.685 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 13.137 -15.785 -1.206 1.00 0.00 H new ATOM 0 HH2 TRP A 88 11.748 -17.225 -2.681 1.00 0.00 H new ATOM 1387 N GLN A 89 14.339 -16.329 5.707 1.00 0.00 N ATOM 1388 CA GLN A 89 14.705 -15.315 6.681 1.00 0.00 C ATOM 1389 C GLN A 89 14.880 -14.018 5.903 1.00 0.00 C ATOM 1390 O GLN A 89 15.631 -13.965 4.923 1.00 0.00 O ATOM 1391 CB GLN A 89 15.941 -15.701 7.511 1.00 0.00 C ATOM 1392 CG GLN A 89 15.638 -16.833 8.511 1.00 0.00 C ATOM 1393 CD GLN A 89 15.749 -18.217 7.874 1.00 0.00 C ATOM 1394 OE1 GLN A 89 16.833 -18.666 7.498 1.00 0.00 O ATOM 1395 NE2 GLN A 89 14.641 -18.922 7.712 1.00 0.00 N ATOM 0 H GLN A 89 15.034 -16.456 4.971 1.00 0.00 H new ATOM 0 HA GLN A 89 13.924 -15.201 7.433 1.00 0.00 H new ATOM 0 HB2 GLN A 89 16.743 -16.014 6.842 1.00 0.00 H new ATOM 0 HB3 GLN A 89 16.301 -14.826 8.053 1.00 0.00 H new ATOM 0 HG2 GLN A 89 16.329 -16.766 9.352 1.00 0.00 H new ATOM 0 HG3 GLN A 89 14.633 -16.700 8.913 1.00 0.00 H new ATOM 0 HE21 GLN A 89 13.746 -18.545 8.025 1.00 0.00 H new ATOM 0 HE22 GLN A 89 14.682 -19.842 7.274 1.00 0.00 H new ATOM 1404 N LEU A 90 14.070 -13.023 6.239 1.00 0.00 N ATOM 1405 CA LEU A 90 14.134 -11.673 5.689 1.00 0.00 C ATOM 1406 C LEU A 90 15.308 -10.921 6.301 1.00 0.00 C ATOM 1407 O LEU A 90 16.059 -11.481 7.101 1.00 0.00 O ATOM 1408 CB LEU A 90 12.804 -10.969 5.988 1.00 0.00 C ATOM 1409 CG LEU A 90 11.826 -10.845 4.822 1.00 0.00 C ATOM 1410 CD1 LEU A 90 11.878 -9.526 4.079 1.00 0.00 C ATOM 1411 CD2 LEU A 90 11.859 -12.014 3.837 1.00 0.00 C ATOM 0 H LEU A 90 13.324 -13.136 6.926 1.00 0.00 H new ATOM 0 HA LEU A 90 14.289 -11.704 4.610 1.00 0.00 H new ATOM 0 HB2 LEU A 90 12.307 -11.506 6.796 1.00 0.00 H new ATOM 0 HB3 LEU A 90 13.023 -9.968 6.359 1.00 0.00 H new ATOM 0 HG LEU A 90 10.865 -10.880 5.334 1.00 0.00 H new ATOM 0 HD11 LEU A 90 11.148 -9.535 3.270 1.00 0.00 H new ATOM 0 HD12 LEU A 90 11.648 -8.712 4.766 1.00 0.00 H new ATOM 0 HD13 LEU A 90 12.876 -9.381 3.665 1.00 0.00 H new ATOM 0 HD21 LEU A 90 11.133 -11.841 3.043 1.00 0.00 H new ATOM 0 HD22 LEU A 90 12.856 -12.098 3.405 1.00 0.00 H new ATOM 0 HD23 LEU A 90 11.611 -12.938 4.360 1.00 0.00 H new ATOM 1423 N SER A 91 15.452 -9.659 5.900 1.00 0.00 N ATOM 1424 CA SER A 91 16.275 -8.605 6.512 1.00 0.00 C ATOM 1425 C SER A 91 16.232 -7.343 5.634 1.00 0.00 C ATOM 1426 O SER A 91 15.782 -7.388 4.488 1.00 0.00 O ATOM 1427 CB SER A 91 17.750 -9.014 6.710 1.00 0.00 C ATOM 1428 OG SER A 91 17.927 -9.917 7.785 1.00 0.00 O ATOM 0 H SER A 91 14.960 -9.315 5.075 1.00 0.00 H new ATOM 0 HA SER A 91 15.852 -8.420 7.499 1.00 0.00 H new ATOM 0 HB2 SER A 91 18.122 -9.470 5.793 1.00 0.00 H new ATOM 0 HB3 SER A 91 18.349 -8.121 6.888 1.00 0.00 H new ATOM 0 HG SER A 91 17.544 -10.787 7.548 1.00 0.00 H new ATOM 1434 N VAL A 92 16.751 -6.232 6.151 1.00 0.00 N ATOM 1435 CA VAL A 92 16.913 -4.945 5.478 1.00 0.00 C ATOM 1436 C VAL A 92 18.406 -4.761 5.128 1.00 0.00 C ATOM 1437 O VAL A 92 19.265 -5.505 5.617 1.00 0.00 O ATOM 1438 CB VAL A 92 16.338 -3.861 6.419 1.00 0.00 C ATOM 1439 CG1 VAL A 92 17.108 -3.674 7.736 1.00 0.00 C ATOM 1440 CG2 VAL A 92 16.199 -2.506 5.722 1.00 0.00 C ATOM 0 H VAL A 92 17.091 -6.205 7.112 1.00 0.00 H new ATOM 0 HA VAL A 92 16.371 -4.877 4.535 1.00 0.00 H new ATOM 0 HB VAL A 92 15.353 -4.247 6.680 1.00 0.00 H new ATOM 0 HG11 VAL A 92 16.631 -2.894 8.329 1.00 0.00 H new ATOM 0 HG12 VAL A 92 17.104 -4.609 8.296 1.00 0.00 H new ATOM 0 HG13 VAL A 92 18.137 -3.386 7.518 1.00 0.00 H new ATOM 0 HG21 VAL A 92 15.791 -1.777 6.422 1.00 0.00 H new ATOM 0 HG22 VAL A 92 17.178 -2.171 5.378 1.00 0.00 H new ATOM 0 HG23 VAL A 92 15.529 -2.603 4.868 1.00 0.00 H new ATOM 1450 N ALA A 93 18.738 -3.803 4.259 1.00 0.00 N ATOM 1451 CA ALA A 93 20.100 -3.296 4.062 1.00 0.00 C ATOM 1452 C ALA A 93 20.507 -2.389 5.238 1.00 0.00 C ATOM 1453 O ALA A 93 19.676 -2.044 6.079 1.00 0.00 O ATOM 1454 CB ALA A 93 20.137 -2.460 2.781 1.00 0.00 C ATOM 0 H ALA A 93 18.051 -3.347 3.658 1.00 0.00 H new ATOM 0 HA ALA A 93 20.785 -4.141 3.997 1.00 0.00 H new ATOM 0 HB1 ALA A 93 21.146 -2.078 2.625 1.00 0.00 H new ATOM 0 HB2 ALA A 93 19.849 -3.081 1.933 1.00 0.00 H new ATOM 0 HB3 ALA A 93 19.443 -1.625 2.871 1.00 0.00 H new