USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 586 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 66 SER OG : rot -145:sc= 0.0287 USER MOD Set 1.2: A 69 THR OG1 : rot 180:sc= 0.801 USER MOD Single : A 19 THR OG1 : rot -67:sc= 0.461 USER MOD Single : A 21 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0789) USER MOD Single : A 25 ASN : amide:sc= 0.909 K(o=0.91,f=0) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 78:sc= 0.523 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.49 K(o=-0.49,f=-2!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot -171:sc= 0.163 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.0712 X(o=-0.071,f=-0.087) USER MOD Single : A 73 ASN : amide:sc= -0.0461 K(o=-0.046,f=-0.55) USER MOD Single : A 76 THR OG1 : rot 89:sc= 1.13 USER MOD Single : A 78 GLN : amide:sc= -0.62 K(o=-0.62,f=-1.3) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 ASN : amide:sc= -0.122 K(o=-0.12,f=-2.3!) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 245 N ARG A 16 3.439 12.057 5.854 1.00 0.00 N ATOM 246 CA ARG A 16 3.279 12.956 4.697 1.00 0.00 C ATOM 247 C ARG A 16 2.189 12.404 3.766 1.00 0.00 C ATOM 248 O ARG A 16 2.295 11.276 3.294 1.00 0.00 O ATOM 249 CB ARG A 16 4.623 13.114 3.929 1.00 0.00 C ATOM 250 CG ARG A 16 5.842 13.355 4.839 1.00 0.00 C ATOM 251 CD ARG A 16 7.115 13.736 4.064 1.00 0.00 C ATOM 252 NE ARG A 16 7.515 12.713 3.088 1.00 0.00 N ATOM 253 CZ ARG A 16 8.691 12.073 3.066 1.00 0.00 C ATOM 254 NH1 ARG A 16 9.623 12.324 3.986 1.00 0.00 N ATOM 255 NH2 ARG A 16 8.924 11.191 2.114 1.00 0.00 N ATOM 0 HA ARG A 16 2.981 13.942 5.054 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.798 12.217 3.336 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.534 13.946 3.230 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.606 14.148 5.548 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.036 12.454 5.421 1.00 0.00 H new ATOM 0 HD2 ARG A 16 6.951 14.681 3.546 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.930 13.897 4.770 1.00 0.00 H new ATOM 0 HE ARG A 16 6.838 12.469 2.365 1.00 0.00 H new ATOM 0 HH11 ARG A 16 9.445 13.011 4.719 1.00 0.00 H new ATOM 0 HH12 ARG A 16 10.514 11.829 3.957 1.00 0.00 H new ATOM 0 HH21 ARG A 16 8.213 11.004 1.407 1.00 0.00 H new ATOM 0 HH22 ARG A 16 9.815 10.696 2.085 1.00 0.00 H new ATOM 269 N GLU A 17 1.157 13.212 3.498 1.00 0.00 N ATOM 270 CA GLU A 17 0.041 12.810 2.645 1.00 0.00 C ATOM 271 C GLU A 17 0.488 12.767 1.177 1.00 0.00 C ATOM 272 O GLU A 17 0.763 13.797 0.579 1.00 0.00 O ATOM 273 CB GLU A 17 -1.145 13.789 2.831 1.00 0.00 C ATOM 274 CG GLU A 17 -1.931 13.584 4.128 1.00 0.00 C ATOM 275 CD GLU A 17 -3.042 14.631 4.343 1.00 0.00 C ATOM 276 OE1 GLU A 17 -4.160 14.439 3.824 1.00 0.00 O ATOM 277 OE2 GLU A 17 -2.791 15.645 5.031 1.00 0.00 O ATOM 0 H GLU A 17 1.075 14.159 3.867 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.288 11.811 2.932 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.765 14.810 2.807 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.826 13.682 1.986 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.376 12.589 4.121 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.241 13.619 4.971 1.00 0.00 H new ATOM 284 N ILE A 18 0.580 11.559 0.632 1.00 0.00 N ATOM 285 CA ILE A 18 0.896 11.317 -0.783 1.00 0.00 C ATOM 286 C ILE A 18 -0.389 10.920 -1.528 1.00 0.00 C ATOM 287 O ILE A 18 -1.420 10.680 -0.897 1.00 0.00 O ATOM 288 CB ILE A 18 1.954 10.164 -0.931 1.00 0.00 C ATOM 289 CG1 ILE A 18 1.443 8.851 -0.240 1.00 0.00 C ATOM 290 CG2 ILE A 18 3.342 10.597 -0.389 1.00 0.00 C ATOM 291 CD1 ILE A 18 2.337 7.642 -0.422 1.00 0.00 C ATOM 0 H ILE A 18 0.436 10.701 1.165 1.00 0.00 H new ATOM 0 HA ILE A 18 1.313 12.230 -1.207 1.00 0.00 H new ATOM 0 HB ILE A 18 2.079 9.953 -1.993 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.327 9.041 0.827 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.453 8.614 -0.631 1.00 0.00 H new ATOM 0 HG21 ILE A 18 4.050 9.777 -0.506 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.696 11.465 -0.946 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.256 10.854 0.667 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.900 6.786 0.091 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.434 7.418 -1.484 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.322 7.851 -0.004 1.00 0.00 H new ATOM 303 N THR A 19 -0.321 10.845 -2.865 1.00 0.00 N ATOM 304 CA THR A 19 -1.375 10.215 -3.672 1.00 0.00 C ATOM 305 C THR A 19 -1.102 8.708 -3.766 1.00 0.00 C ATOM 306 O THR A 19 -0.013 8.239 -3.381 1.00 0.00 O ATOM 307 CB THR A 19 -1.448 10.825 -5.111 1.00 0.00 C ATOM 308 OG1 THR A 19 -0.188 10.672 -5.794 1.00 0.00 O ATOM 309 CG2 THR A 19 -1.854 12.311 -5.088 1.00 0.00 C ATOM 0 H THR A 19 0.457 11.215 -3.412 1.00 0.00 H new ATOM 0 HA THR A 19 -2.332 10.400 -3.185 1.00 0.00 H new ATOM 0 HB THR A 19 -2.219 10.276 -5.651 1.00 0.00 H new ATOM 0 HG1 THR A 19 0.492 11.223 -5.353 1.00 0.00 H new ATOM 0 HG21 THR A 19 -1.892 12.694 -6.108 1.00 0.00 H new ATOM 0 HG22 THR A 19 -2.836 12.413 -4.625 1.00 0.00 H new ATOM 0 HG23 THR A 19 -1.122 12.879 -4.514 1.00 0.00 H new ATOM 317 N TRP A 20 -2.102 7.957 -4.270 1.00 0.00 N ATOM 318 CA TRP A 20 -1.930 6.547 -4.656 1.00 0.00 C ATOM 319 C TRP A 20 -0.771 6.418 -5.665 1.00 0.00 C ATOM 320 O TRP A 20 0.035 5.514 -5.544 1.00 0.00 O ATOM 321 CB TRP A 20 -3.242 5.968 -5.248 1.00 0.00 C ATOM 322 CG TRP A 20 -3.146 4.539 -5.758 1.00 0.00 C ATOM 323 CD1 TRP A 20 -2.981 4.140 -7.056 1.00 0.00 C ATOM 324 CD2 TRP A 20 -3.232 3.333 -4.986 1.00 0.00 C ATOM 325 NE1 TRP A 20 -2.963 2.777 -7.134 1.00 0.00 N ATOM 326 CE2 TRP A 20 -3.118 2.256 -5.879 1.00 0.00 C ATOM 327 CE3 TRP A 20 -3.398 3.061 -3.631 1.00 0.00 C ATOM 328 CZ2 TRP A 20 -3.169 0.928 -5.459 1.00 0.00 C ATOM 329 CZ3 TRP A 20 -3.441 1.747 -3.215 1.00 0.00 C ATOM 330 CH2 TRP A 20 -3.328 0.694 -4.125 1.00 0.00 C ATOM 0 H TRP A 20 -3.047 8.312 -4.419 1.00 0.00 H new ATOM 0 HA TRP A 20 -1.687 5.969 -3.764 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -4.018 6.013 -4.483 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -3.566 6.609 -6.068 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -2.879 4.808 -7.899 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -2.852 2.235 -7.991 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -3.492 3.866 -2.917 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -3.086 0.114 -6.164 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -3.565 1.528 -2.165 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -3.367 -0.324 -3.766 1.00 0.00 H new ATOM 341 N LYS A 21 -0.683 7.371 -6.622 1.00 0.00 N ATOM 342 CA LYS A 21 0.383 7.402 -7.652 1.00 0.00 C ATOM 343 C LYS A 21 1.792 7.412 -7.008 1.00 0.00 C ATOM 344 O LYS A 21 2.646 6.599 -7.383 1.00 0.00 O ATOM 345 CB LYS A 21 0.200 8.632 -8.589 1.00 0.00 C ATOM 346 CG LYS A 21 1.065 8.608 -9.882 1.00 0.00 C ATOM 347 CD LYS A 21 0.667 7.459 -10.847 1.00 0.00 C ATOM 348 CE LYS A 21 1.436 7.490 -12.183 1.00 0.00 C ATOM 349 NZ LYS A 21 1.179 8.733 -12.964 1.00 0.00 N ATOM 0 H LYS A 21 -1.348 8.140 -6.702 1.00 0.00 H new ATOM 0 HA LYS A 21 0.298 6.493 -8.248 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.850 8.700 -8.874 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.437 9.536 -8.028 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.965 9.562 -10.399 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.115 8.501 -9.610 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.846 6.503 -10.355 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.402 7.518 -11.050 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.504 7.404 -11.985 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.152 6.624 -12.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.594 8.639 -13.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.154 8.885 -13.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 1.610 9.544 -12.477 1.00 0.00 H new ATOM 363 N ASP A 22 2.014 8.293 -6.002 1.00 0.00 N ATOM 364 CA ASP A 22 3.310 8.357 -5.285 1.00 0.00 C ATOM 365 C ASP A 22 3.561 7.059 -4.509 1.00 0.00 C ATOM 366 O ASP A 22 4.696 6.563 -4.481 1.00 0.00 O ATOM 367 CB ASP A 22 3.377 9.550 -4.304 1.00 0.00 C ATOM 368 CG ASP A 22 3.406 10.919 -4.995 1.00 0.00 C ATOM 369 OD1 ASP A 22 4.411 11.230 -5.668 1.00 0.00 O ATOM 370 OD2 ASP A 22 2.425 11.687 -4.881 1.00 0.00 O ATOM 0 H ASP A 22 1.319 8.963 -5.672 1.00 0.00 H new ATOM 0 HA ASP A 22 4.080 8.494 -6.044 1.00 0.00 H new ATOM 0 HB2 ASP A 22 2.516 9.508 -3.637 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.267 9.448 -3.683 1.00 0.00 H new ATOM 375 N PHE A 23 2.480 6.517 -3.906 1.00 0.00 N ATOM 376 CA PHE A 23 2.516 5.235 -3.183 1.00 0.00 C ATOM 377 C PHE A 23 3.089 4.121 -4.073 1.00 0.00 C ATOM 378 O PHE A 23 3.977 3.392 -3.653 1.00 0.00 O ATOM 379 CB PHE A 23 1.108 4.838 -2.637 1.00 0.00 C ATOM 380 CG PHE A 23 0.992 3.367 -2.224 1.00 0.00 C ATOM 381 CD1 PHE A 23 1.789 2.849 -1.208 1.00 0.00 C ATOM 382 CD2 PHE A 23 0.122 2.508 -2.888 1.00 0.00 C ATOM 383 CE1 PHE A 23 1.716 1.521 -0.871 1.00 0.00 C ATOM 384 CE2 PHE A 23 0.045 1.181 -2.542 1.00 0.00 C ATOM 385 CZ PHE A 23 0.845 0.687 -1.538 1.00 0.00 C ATOM 0 H PHE A 23 1.561 6.959 -3.909 1.00 0.00 H new ATOM 0 HA PHE A 23 3.175 5.364 -2.325 1.00 0.00 H new ATOM 0 HB2 PHE A 23 0.873 5.466 -1.778 1.00 0.00 H new ATOM 0 HB3 PHE A 23 0.360 5.050 -3.401 1.00 0.00 H new ATOM 0 HD1 PHE A 23 2.471 3.498 -0.680 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -0.500 2.889 -3.685 1.00 0.00 H new ATOM 0 HE1 PHE A 23 2.341 1.129 -0.083 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -0.642 0.527 -3.057 1.00 0.00 H new ATOM 0 HZ PHE A 23 0.790 -0.358 -1.271 1.00 0.00 H new ATOM 395 N VAL A 24 2.570 4.020 -5.294 1.00 0.00 N ATOM 396 CA VAL A 24 2.947 2.971 -6.234 1.00 0.00 C ATOM 397 C VAL A 24 4.405 3.134 -6.695 1.00 0.00 C ATOM 398 O VAL A 24 5.268 2.332 -6.348 1.00 0.00 O ATOM 399 CB VAL A 24 1.995 2.975 -7.478 1.00 0.00 C ATOM 400 CG1 VAL A 24 2.357 1.848 -8.460 1.00 0.00 C ATOM 401 CG2 VAL A 24 0.521 2.878 -7.039 1.00 0.00 C ATOM 0 H VAL A 24 1.872 4.668 -5.660 1.00 0.00 H new ATOM 0 HA VAL A 24 2.853 2.017 -5.716 1.00 0.00 H new ATOM 0 HB VAL A 24 2.130 3.922 -8.001 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.679 1.877 -9.313 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.382 1.983 -8.807 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.267 0.885 -7.958 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.122 2.882 -7.919 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.367 1.954 -6.482 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.274 3.729 -6.405 1.00 0.00 H new ATOM 411 N ASN A 25 4.661 4.225 -7.424 1.00 0.00 N ATOM 412 CA ASN A 25 5.909 4.413 -8.190 1.00 0.00 C ATOM 413 C ASN A 25 7.120 4.574 -7.266 1.00 0.00 C ATOM 414 O ASN A 25 8.160 3.926 -7.470 1.00 0.00 O ATOM 415 CB ASN A 25 5.783 5.642 -9.133 1.00 0.00 C ATOM 416 CG ASN A 25 4.762 5.422 -10.255 1.00 0.00 C ATOM 417 OD1 ASN A 25 5.110 5.000 -11.350 1.00 0.00 O ATOM 418 ND2 ASN A 25 3.502 5.680 -9.985 1.00 0.00 N ATOM 0 H ASN A 25 4.011 5.007 -7.503 1.00 0.00 H new ATOM 0 HA ASN A 25 6.067 3.517 -8.791 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.493 6.515 -8.549 1.00 0.00 H new ATOM 0 HB3 ASN A 25 6.757 5.861 -9.571 1.00 0.00 H new ATOM 0 HD21 ASN A 25 2.787 5.529 -10.696 1.00 0.00 H new ATOM 0 HD22 ASN A 25 3.239 6.031 -9.064 1.00 0.00 H new ATOM 425 N ASN A 26 6.971 5.424 -6.240 1.00 0.00 N ATOM 426 CA ASN A 26 8.082 5.822 -5.363 1.00 0.00 C ATOM 427 C ASN A 26 8.296 4.823 -4.216 1.00 0.00 C ATOM 428 O ASN A 26 9.356 4.832 -3.596 1.00 0.00 O ATOM 429 CB ASN A 26 7.825 7.251 -4.785 1.00 0.00 C ATOM 430 CG ASN A 26 7.652 8.327 -5.862 1.00 0.00 C ATOM 431 OD1 ASN A 26 8.241 8.245 -6.939 1.00 0.00 O ATOM 432 ND2 ASN A 26 6.847 9.342 -5.580 1.00 0.00 N ATOM 0 H ASN A 26 6.079 5.854 -5.995 1.00 0.00 H new ATOM 0 HA ASN A 26 8.989 5.830 -5.967 1.00 0.00 H new ATOM 0 HB2 ASN A 26 6.931 7.226 -4.161 1.00 0.00 H new ATOM 0 HB3 ASN A 26 8.658 7.527 -4.138 1.00 0.00 H new ATOM 0 HD21 ASN A 26 6.702 10.083 -6.265 1.00 0.00 H new ATOM 0 HD22 ASN A 26 6.373 9.381 -4.678 1.00 0.00 H new ATOM 439 N TYR A 27 7.300 3.966 -3.890 1.00 0.00 N ATOM 440 CA TYR A 27 7.385 3.115 -2.676 1.00 0.00 C ATOM 441 C TYR A 27 7.144 1.617 -2.972 1.00 0.00 C ATOM 442 O TYR A 27 8.082 0.802 -2.856 1.00 0.00 O ATOM 443 CB TYR A 27 6.417 3.653 -1.578 1.00 0.00 C ATOM 444 CG TYR A 27 6.654 5.140 -1.251 1.00 0.00 C ATOM 445 CD1 TYR A 27 7.862 5.574 -0.711 1.00 0.00 C ATOM 446 CD2 TYR A 27 5.690 6.109 -1.515 1.00 0.00 C ATOM 447 CE1 TYR A 27 8.094 6.910 -0.449 1.00 0.00 C ATOM 448 CE2 TYR A 27 5.921 7.446 -1.259 1.00 0.00 C ATOM 449 CZ TYR A 27 7.120 7.840 -0.720 1.00 0.00 C ATOM 450 OH TYR A 27 7.349 9.168 -0.459 1.00 0.00 O ATOM 0 H TYR A 27 6.446 3.845 -4.435 1.00 0.00 H new ATOM 0 HA TYR A 27 8.407 3.177 -2.302 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.387 3.518 -1.910 1.00 0.00 H new ATOM 0 HB3 TYR A 27 6.540 3.062 -0.670 1.00 0.00 H new ATOM 0 HD1 TYR A 27 8.634 4.851 -0.493 1.00 0.00 H new ATOM 0 HD2 TYR A 27 4.739 5.808 -1.930 1.00 0.00 H new ATOM 0 HE1 TYR A 27 9.040 7.223 -0.032 1.00 0.00 H new ATOM 0 HE2 TYR A 27 5.160 8.180 -1.482 1.00 0.00 H new ATOM 0 HH TYR A 27 6.559 9.692 -0.709 1.00 0.00 H new ATOM 460 N LEU A 28 5.898 1.271 -3.349 1.00 0.00 N ATOM 461 CA LEU A 28 5.447 -0.127 -3.507 1.00 0.00 C ATOM 462 C LEU A 28 6.297 -0.881 -4.555 1.00 0.00 C ATOM 463 O LEU A 28 6.784 -1.990 -4.295 1.00 0.00 O ATOM 464 CB LEU A 28 3.943 -0.161 -3.902 1.00 0.00 C ATOM 465 CG LEU A 28 3.276 -1.577 -3.928 1.00 0.00 C ATOM 466 CD1 LEU A 28 3.222 -2.208 -2.520 1.00 0.00 C ATOM 467 CD2 LEU A 28 1.873 -1.521 -4.553 1.00 0.00 C ATOM 0 H LEU A 28 5.171 1.957 -3.554 1.00 0.00 H new ATOM 0 HA LEU A 28 5.577 -0.633 -2.550 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.390 0.468 -3.204 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.836 0.288 -4.889 1.00 0.00 H new ATOM 0 HG LEU A 28 3.901 -2.215 -4.553 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.752 -3.190 -2.579 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.234 -2.313 -2.129 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.641 -1.567 -1.856 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.436 -2.520 -4.557 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.241 -0.851 -3.970 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.945 -1.153 -5.576 1.00 0.00 H new ATOM 479 N SER A 29 6.491 -0.245 -5.719 1.00 0.00 N ATOM 480 CA SER A 29 7.272 -0.801 -6.838 1.00 0.00 C ATOM 481 C SER A 29 8.766 -1.010 -6.492 1.00 0.00 C ATOM 482 O SER A 29 9.436 -1.831 -7.124 1.00 0.00 O ATOM 483 CB SER A 29 7.144 0.130 -8.061 1.00 0.00 C ATOM 484 OG SER A 29 5.780 0.321 -8.420 1.00 0.00 O ATOM 0 H SER A 29 6.107 0.680 -5.914 1.00 0.00 H new ATOM 0 HA SER A 29 6.862 -1.786 -7.059 1.00 0.00 H new ATOM 0 HB2 SER A 29 7.603 1.093 -7.838 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.689 -0.295 -8.904 1.00 0.00 H new ATOM 0 HG SER A 29 5.368 0.965 -7.808 1.00 0.00 H new ATOM 490 N LYS A 30 9.287 -0.272 -5.492 1.00 0.00 N ATOM 491 CA LYS A 30 10.711 -0.363 -5.098 1.00 0.00 C ATOM 492 C LYS A 30 10.892 -1.208 -3.821 1.00 0.00 C ATOM 493 O LYS A 30 12.015 -1.331 -3.333 1.00 0.00 O ATOM 494 CB LYS A 30 11.338 1.052 -4.937 1.00 0.00 C ATOM 495 CG LYS A 30 11.346 1.886 -6.247 1.00 0.00 C ATOM 496 CD LYS A 30 12.294 3.111 -6.199 1.00 0.00 C ATOM 497 CE LYS A 30 11.949 4.097 -5.078 1.00 0.00 C ATOM 498 NZ LYS A 30 12.885 5.255 -5.017 1.00 0.00 N ATOM 0 H LYS A 30 8.745 0.394 -4.941 1.00 0.00 H new ATOM 0 HA LYS A 30 11.244 -0.873 -5.901 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.786 1.599 -4.172 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.362 0.947 -4.578 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.640 1.242 -7.076 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.333 2.230 -6.455 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.319 2.764 -6.067 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.254 3.631 -7.156 1.00 0.00 H new ATOM 0 HE2 LYS A 30 10.933 4.464 -5.224 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.964 3.573 -4.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.604 5.888 -4.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.852 4.911 -4.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.853 5.775 -5.917 1.00 0.00 H new ATOM 512 N GLY A 31 9.785 -1.800 -3.320 1.00 0.00 N ATOM 513 CA GLY A 31 9.808 -2.716 -2.162 1.00 0.00 C ATOM 514 C GLY A 31 10.417 -2.129 -0.885 1.00 0.00 C ATOM 515 O GLY A 31 10.958 -2.868 -0.048 1.00 0.00 O ATOM 0 H GLY A 31 8.853 -1.655 -3.708 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.787 -3.032 -1.948 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.368 -3.610 -2.436 1.00 0.00 H new ATOM 519 N VAL A 32 10.319 -0.795 -0.733 1.00 0.00 N ATOM 520 CA VAL A 32 10.829 -0.076 0.459 1.00 0.00 C ATOM 521 C VAL A 32 9.825 -0.162 1.629 1.00 0.00 C ATOM 522 O VAL A 32 10.124 0.248 2.757 1.00 0.00 O ATOM 523 CB VAL A 32 11.135 1.428 0.118 1.00 0.00 C ATOM 524 CG1 VAL A 32 12.190 1.543 -1.008 1.00 0.00 C ATOM 525 CG2 VAL A 32 9.849 2.194 -0.244 1.00 0.00 C ATOM 0 H VAL A 32 9.887 -0.184 -1.427 1.00 0.00 H new ATOM 0 HA VAL A 32 11.757 -0.559 0.765 1.00 0.00 H new ATOM 0 HB VAL A 32 11.552 1.890 1.013 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.381 2.595 -1.222 1.00 0.00 H new ATOM 0 HG12 VAL A 32 13.116 1.064 -0.690 1.00 0.00 H new ATOM 0 HG13 VAL A 32 11.818 1.052 -1.907 1.00 0.00 H new ATOM 0 HG21 VAL A 32 10.096 3.230 -0.474 1.00 0.00 H new ATOM 0 HG22 VAL A 32 9.382 1.730 -1.113 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.158 2.164 0.599 1.00 0.00 H new ATOM 535 N VAL A 33 8.648 -0.743 1.332 1.00 0.00 N ATOM 536 CA VAL A 33 7.507 -0.797 2.248 1.00 0.00 C ATOM 537 C VAL A 33 7.540 -2.131 3.006 1.00 0.00 C ATOM 538 O VAL A 33 7.788 -3.182 2.407 1.00 0.00 O ATOM 539 CB VAL A 33 6.139 -0.667 1.465 1.00 0.00 C ATOM 540 CG1 VAL A 33 4.937 -0.526 2.426 1.00 0.00 C ATOM 541 CG2 VAL A 33 6.183 0.502 0.463 1.00 0.00 C ATOM 0 H VAL A 33 8.466 -1.193 0.435 1.00 0.00 H new ATOM 0 HA VAL A 33 7.578 0.038 2.945 1.00 0.00 H new ATOM 0 HB VAL A 33 6.000 -1.591 0.904 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.017 -0.439 1.848 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.880 -1.404 3.069 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.065 0.365 3.040 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.230 0.568 -0.061 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.368 1.433 0.998 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.983 0.333 -0.258 1.00 0.00 H new ATOM 551 N ASP A 34 7.291 -2.072 4.315 1.00 0.00 N ATOM 552 CA ASP A 34 7.171 -3.252 5.187 1.00 0.00 C ATOM 553 C ASP A 34 5.721 -3.753 5.152 1.00 0.00 C ATOM 554 O ASP A 34 5.451 -4.887 4.759 1.00 0.00 O ATOM 555 CB ASP A 34 7.561 -2.859 6.640 1.00 0.00 C ATOM 556 CG ASP A 34 7.556 -4.021 7.647 1.00 0.00 C ATOM 557 OD1 ASP A 34 8.564 -4.747 7.733 1.00 0.00 O ATOM 558 OD2 ASP A 34 6.556 -4.206 8.371 1.00 0.00 O ATOM 0 H ASP A 34 7.164 -1.190 4.812 1.00 0.00 H new ATOM 0 HA ASP A 34 7.836 -4.043 4.840 1.00 0.00 H new ATOM 0 HB2 ASP A 34 8.556 -2.413 6.626 1.00 0.00 H new ATOM 0 HB3 ASP A 34 6.872 -2.090 6.991 1.00 0.00 H new ATOM 563 N ARG A 35 4.799 -2.858 5.520 1.00 0.00 N ATOM 564 CA ARG A 35 3.372 -3.185 5.673 1.00 0.00 C ATOM 565 C ARG A 35 2.504 -1.943 5.446 1.00 0.00 C ATOM 566 O ARG A 35 2.983 -0.805 5.526 1.00 0.00 O ATOM 567 CB ARG A 35 3.096 -3.808 7.069 1.00 0.00 C ATOM 568 CG ARG A 35 3.360 -2.873 8.267 1.00 0.00 C ATOM 569 CD ARG A 35 3.061 -3.555 9.612 1.00 0.00 C ATOM 570 NE ARG A 35 3.956 -4.694 9.871 1.00 0.00 N ATOM 571 CZ ARG A 35 3.663 -5.762 10.638 1.00 0.00 C ATOM 572 NH1 ARG A 35 2.477 -5.877 11.240 1.00 0.00 N ATOM 573 NH2 ARG A 35 4.585 -6.692 10.830 1.00 0.00 N ATOM 0 H ARG A 35 5.019 -1.883 5.721 1.00 0.00 H new ATOM 0 HA ARG A 35 3.108 -3.924 4.916 1.00 0.00 H new ATOM 0 HB2 ARG A 35 2.057 -4.134 7.105 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.714 -4.699 7.181 1.00 0.00 H new ATOM 0 HG2 ARG A 35 4.400 -2.548 8.250 1.00 0.00 H new ATOM 0 HG3 ARG A 35 2.745 -1.979 8.170 1.00 0.00 H new ATOM 0 HD2 ARG A 35 3.161 -2.827 10.417 1.00 0.00 H new ATOM 0 HD3 ARG A 35 2.027 -3.899 9.621 1.00 0.00 H new ATOM 0 HE ARG A 35 4.877 -4.673 9.432 1.00 0.00 H new ATOM 0 HH11 ARG A 35 1.773 -5.148 11.123 1.00 0.00 H new ATOM 0 HH12 ARG A 35 2.275 -6.694 11.817 1.00 0.00 H new ATOM 0 HH21 ARG A 35 5.505 -6.595 10.399 1.00 0.00 H new ATOM 0 HH22 ARG A 35 4.376 -7.506 11.409 1.00 0.00 H new ATOM 587 N LEU A 36 1.221 -2.182 5.146 1.00 0.00 N ATOM 588 CA LEU A 36 0.223 -1.131 4.940 1.00 0.00 C ATOM 589 C LEU A 36 -0.810 -1.218 6.056 1.00 0.00 C ATOM 590 O LEU A 36 -1.690 -2.076 6.037 1.00 0.00 O ATOM 591 CB LEU A 36 -0.433 -1.314 3.548 1.00 0.00 C ATOM 592 CG LEU A 36 0.549 -1.175 2.353 1.00 0.00 C ATOM 593 CD1 LEU A 36 -0.142 -1.513 1.021 1.00 0.00 C ATOM 594 CD2 LEU A 36 1.195 0.229 2.330 1.00 0.00 C ATOM 0 H LEU A 36 0.845 -3.124 5.039 1.00 0.00 H new ATOM 0 HA LEU A 36 0.686 -0.145 4.967 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.900 -2.298 3.506 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.229 -0.578 3.436 1.00 0.00 H new ATOM 0 HG LEU A 36 1.352 -1.900 2.488 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.571 -1.406 0.204 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.508 -2.539 1.051 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.979 -0.833 0.863 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.879 0.301 1.484 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.417 0.986 2.233 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.746 0.391 3.256 1.00 0.00 H new ATOM 606 N GLU A 37 -0.688 -0.318 7.034 1.00 0.00 N ATOM 607 CA GLU A 37 -1.549 -0.306 8.218 1.00 0.00 C ATOM 608 C GLU A 37 -2.709 0.656 7.992 1.00 0.00 C ATOM 609 O GLU A 37 -2.541 1.874 8.077 1.00 0.00 O ATOM 610 CB GLU A 37 -0.714 0.080 9.462 1.00 0.00 C ATOM 611 CG GLU A 37 0.434 -0.905 9.754 1.00 0.00 C ATOM 612 CD GLU A 37 1.266 -0.530 10.984 1.00 0.00 C ATOM 613 OE1 GLU A 37 0.809 -0.774 12.112 1.00 0.00 O ATOM 614 OE2 GLU A 37 2.372 0.027 10.828 1.00 0.00 O ATOM 0 H GLU A 37 0.012 0.424 7.027 1.00 0.00 H new ATOM 0 HA GLU A 37 -1.966 -1.298 8.392 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.300 1.078 9.318 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.371 0.130 10.331 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.018 -1.902 9.897 1.00 0.00 H new ATOM 0 HG3 GLU A 37 1.089 -0.955 8.884 1.00 0.00 H new ATOM 621 N VAL A 38 -3.893 0.096 7.711 1.00 0.00 N ATOM 622 CA VAL A 38 -5.064 0.890 7.359 1.00 0.00 C ATOM 623 C VAL A 38 -5.769 1.262 8.657 1.00 0.00 C ATOM 624 O VAL A 38 -6.433 0.422 9.259 1.00 0.00 O ATOM 625 CB VAL A 38 -6.060 0.124 6.406 1.00 0.00 C ATOM 626 CG1 VAL A 38 -7.150 1.086 5.886 1.00 0.00 C ATOM 627 CG2 VAL A 38 -5.314 -0.571 5.245 1.00 0.00 C ATOM 0 H VAL A 38 -4.059 -0.910 7.723 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.737 1.773 6.810 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.547 -0.662 6.983 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.831 0.544 5.229 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.707 1.494 6.729 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.683 1.900 5.332 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.032 -1.089 4.609 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.780 0.176 4.657 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.602 -1.291 5.649 1.00 0.00 H new ATOM 637 N VAL A 39 -5.577 2.498 9.111 1.00 0.00 N ATOM 638 CA VAL A 39 -6.182 2.968 10.349 1.00 0.00 C ATOM 639 C VAL A 39 -7.676 3.250 10.119 1.00 0.00 C ATOM 640 O VAL A 39 -8.029 4.085 9.280 1.00 0.00 O ATOM 641 CB VAL A 39 -5.435 4.227 10.903 1.00 0.00 C ATOM 642 CG1 VAL A 39 -6.121 4.779 12.175 1.00 0.00 C ATOM 643 CG2 VAL A 39 -3.942 3.890 11.170 1.00 0.00 C ATOM 0 H VAL A 39 -5.003 3.194 8.635 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.090 2.189 11.106 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.483 5.011 10.147 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.576 5.653 12.532 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.147 5.062 11.941 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.124 4.012 12.949 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.433 4.773 11.555 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.876 3.085 11.902 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.468 3.575 10.240 1.00 0.00 H new ATOM 653 N ASN A 40 -8.498 2.471 10.842 1.00 0.00 N ATOM 654 CA ASN A 40 -9.985 2.502 10.901 1.00 0.00 C ATOM 655 C ASN A 40 -10.705 2.786 9.571 1.00 0.00 C ATOM 656 O ASN A 40 -11.754 3.453 9.541 1.00 0.00 O ATOM 657 CB ASN A 40 -10.469 3.419 12.055 1.00 0.00 C ATOM 658 CG ASN A 40 -10.399 4.929 11.821 1.00 0.00 C ATOM 659 OD1 ASN A 40 -9.584 5.438 11.071 1.00 0.00 O ATOM 660 ND2 ASN A 40 -11.268 5.646 12.496 1.00 0.00 N ATOM 0 H ASN A 40 -8.120 1.745 11.450 1.00 0.00 H new ATOM 0 HA ASN A 40 -10.283 1.476 11.119 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -11.503 3.159 12.282 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -9.880 3.186 12.942 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -11.275 6.662 12.401 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -11.936 5.187 13.115 1.00 0.00 H new ATOM 667 N LYS A 41 -10.128 2.228 8.477 1.00 0.00 N ATOM 668 CA LYS A 41 -10.671 2.307 7.094 1.00 0.00 C ATOM 669 C LYS A 41 -10.634 3.746 6.515 1.00 0.00 C ATOM 670 O LYS A 41 -11.037 3.963 5.367 1.00 0.00 O ATOM 671 CB LYS A 41 -12.127 1.754 7.048 1.00 0.00 C ATOM 672 CG LYS A 41 -12.314 0.337 7.647 1.00 0.00 C ATOM 673 CD LYS A 41 -13.802 -0.066 7.796 1.00 0.00 C ATOM 674 CE LYS A 41 -14.579 0.032 6.476 1.00 0.00 C ATOM 675 NZ LYS A 41 -15.987 -0.430 6.609 1.00 0.00 N ATOM 0 H LYS A 41 -9.257 1.701 8.531 1.00 0.00 H new ATOM 0 HA LYS A 41 -10.024 1.691 6.469 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -12.778 2.446 7.582 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -12.460 1.739 6.010 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -11.808 -0.390 7.011 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -11.832 0.295 8.624 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -13.861 -1.087 8.172 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -14.275 0.576 8.539 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -14.570 1.065 6.129 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -14.074 -0.564 5.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -16.469 -0.344 5.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -15.999 -1.424 6.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -16.479 0.155 7.314 1.00 0.00 H new ATOM 689 N ARG A 42 -10.168 4.718 7.321 1.00 0.00 N ATOM 690 CA ARG A 42 -10.160 6.145 6.970 1.00 0.00 C ATOM 691 C ARG A 42 -8.968 6.466 6.074 1.00 0.00 C ATOM 692 O ARG A 42 -9.076 7.273 5.139 1.00 0.00 O ATOM 693 CB ARG A 42 -10.108 6.980 8.278 1.00 0.00 C ATOM 694 CG ARG A 42 -10.171 8.515 8.105 1.00 0.00 C ATOM 695 CD ARG A 42 -10.289 9.238 9.463 1.00 0.00 C ATOM 696 NE ARG A 42 -11.431 8.733 10.254 1.00 0.00 N ATOM 697 CZ ARG A 42 -11.715 9.060 11.525 1.00 0.00 C ATOM 698 NH1 ARG A 42 -10.957 9.925 12.203 1.00 0.00 N ATOM 699 NH2 ARG A 42 -12.752 8.485 12.129 1.00 0.00 N ATOM 0 H ARG A 42 -9.782 4.529 8.246 1.00 0.00 H new ATOM 0 HA ARG A 42 -11.066 6.394 6.417 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -10.937 6.672 8.916 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -9.189 6.731 8.808 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -9.277 8.860 7.586 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -11.024 8.776 7.478 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -9.367 9.103 10.028 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -10.407 10.309 9.296 1.00 0.00 H new ATOM 0 HE ARG A 42 -12.061 8.076 9.792 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -10.145 10.351 11.756 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -11.190 10.160 13.168 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -13.321 7.804 11.627 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -12.977 8.725 13.094 1.00 0.00 H new ATOM 713 N PHE A 43 -7.837 5.813 6.361 1.00 0.00 N ATOM 714 CA PHE A 43 -6.596 6.019 5.611 1.00 0.00 C ATOM 715 C PHE A 43 -5.650 4.838 5.781 1.00 0.00 C ATOM 716 O PHE A 43 -5.741 4.085 6.753 1.00 0.00 O ATOM 717 CB PHE A 43 -5.901 7.343 6.032 1.00 0.00 C ATOM 718 CG PHE A 43 -5.451 7.434 7.491 1.00 0.00 C ATOM 719 CD1 PHE A 43 -6.306 7.925 8.470 1.00 0.00 C ATOM 720 CD2 PHE A 43 -4.162 7.054 7.869 1.00 0.00 C ATOM 721 CE1 PHE A 43 -5.897 8.030 9.779 1.00 0.00 C ATOM 722 CE2 PHE A 43 -3.753 7.162 9.178 1.00 0.00 C ATOM 723 CZ PHE A 43 -4.619 7.650 10.135 1.00 0.00 C ATOM 0 H PHE A 43 -7.757 5.131 7.115 1.00 0.00 H new ATOM 0 HA PHE A 43 -6.857 6.094 4.555 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -5.029 7.490 5.395 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -6.585 8.168 5.832 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -7.306 8.229 8.199 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -3.478 6.671 7.126 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -6.576 8.410 10.528 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -2.753 6.864 9.457 1.00 0.00 H new ATOM 0 HZ PHE A 43 -4.297 7.735 11.162 1.00 0.00 H new ATOM 733 N VAL A 44 -4.724 4.717 4.829 1.00 0.00 N ATOM 734 CA VAL A 44 -3.701 3.671 4.810 1.00 0.00 C ATOM 735 C VAL A 44 -2.349 4.310 5.107 1.00 0.00 C ATOM 736 O VAL A 44 -1.983 5.287 4.452 1.00 0.00 O ATOM 737 CB VAL A 44 -3.628 2.965 3.409 1.00 0.00 C ATOM 738 CG1 VAL A 44 -2.569 1.834 3.402 1.00 0.00 C ATOM 739 CG2 VAL A 44 -5.016 2.447 2.982 1.00 0.00 C ATOM 0 H VAL A 44 -4.663 5.355 4.035 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.957 2.922 5.559 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.312 3.706 2.675 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.543 1.366 2.418 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.589 2.252 3.630 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.829 1.088 4.153 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.940 1.962 2.009 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.379 1.729 3.718 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.712 3.283 2.917 1.00 0.00 H new ATOM 749 N ARG A 45 -1.604 3.745 6.067 1.00 0.00 N ATOM 750 CA ARG A 45 -0.247 4.188 6.379 1.00 0.00 C ATOM 751 C ARG A 45 0.725 3.319 5.588 1.00 0.00 C ATOM 752 O ARG A 45 0.663 2.082 5.669 1.00 0.00 O ATOM 753 CB ARG A 45 0.066 4.055 7.890 1.00 0.00 C ATOM 754 CG ARG A 45 1.459 4.607 8.301 1.00 0.00 C ATOM 755 CD ARG A 45 1.870 4.191 9.726 1.00 0.00 C ATOM 756 NE ARG A 45 0.804 4.443 10.708 1.00 0.00 N ATOM 757 CZ ARG A 45 0.439 3.611 11.689 1.00 0.00 C ATOM 758 NH1 ARG A 45 1.053 2.441 11.861 1.00 0.00 N ATOM 759 NH2 ARG A 45 -0.565 3.946 12.480 1.00 0.00 N ATOM 0 H ARG A 45 -1.928 2.970 6.645 1.00 0.00 H new ATOM 0 HA ARG A 45 -0.149 5.240 6.112 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -0.703 4.580 8.457 1.00 0.00 H new ATOM 0 HB3 ARG A 45 0.007 3.004 8.171 1.00 0.00 H new ATOM 0 HG2 ARG A 45 2.208 4.252 7.594 1.00 0.00 H new ATOM 0 HG3 ARG A 45 1.448 5.695 8.234 1.00 0.00 H new ATOM 0 HD2 ARG A 45 2.126 3.131 9.734 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.767 4.737 10.018 1.00 0.00 H new ATOM 0 HE ARG A 45 0.301 5.327 10.634 1.00 0.00 H new ATOM 0 HH11 ARG A 45 1.814 2.168 11.239 1.00 0.00 H new ATOM 0 HH12 ARG A 45 0.762 1.818 12.615 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -1.052 4.831 12.339 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -0.853 3.320 13.232 1.00 0.00 H new ATOM 773 N VAL A 46 1.599 3.970 4.829 1.00 0.00 N ATOM 774 CA VAL A 46 2.721 3.297 4.184 1.00 0.00 C ATOM 775 C VAL A 46 3.839 3.228 5.234 1.00 0.00 C ATOM 776 O VAL A 46 4.472 4.245 5.554 1.00 0.00 O ATOM 777 CB VAL A 46 3.198 4.071 2.896 1.00 0.00 C ATOM 778 CG1 VAL A 46 4.287 3.289 2.128 1.00 0.00 C ATOM 779 CG2 VAL A 46 1.996 4.422 1.984 1.00 0.00 C ATOM 0 H VAL A 46 1.551 4.972 4.644 1.00 0.00 H new ATOM 0 HA VAL A 46 2.434 2.302 3.845 1.00 0.00 H new ATOM 0 HB VAL A 46 3.652 5.007 3.222 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.589 3.856 1.247 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.151 3.137 2.775 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.891 2.322 1.819 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.352 4.955 1.103 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.494 3.505 1.675 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.296 5.053 2.532 1.00 0.00 H new ATOM 789 N THR A 47 4.042 2.030 5.790 1.00 0.00 N ATOM 790 CA THR A 47 5.036 1.786 6.838 1.00 0.00 C ATOM 791 C THR A 47 6.222 1.078 6.191 1.00 0.00 C ATOM 792 O THR A 47 6.027 0.113 5.470 1.00 0.00 O ATOM 793 CB THR A 47 4.432 0.908 7.984 1.00 0.00 C ATOM 794 OG1 THR A 47 3.206 1.507 8.449 1.00 0.00 O ATOM 795 CG2 THR A 47 5.416 0.728 9.168 1.00 0.00 C ATOM 0 H THR A 47 3.517 1.197 5.523 1.00 0.00 H new ATOM 0 HA THR A 47 5.351 2.729 7.285 1.00 0.00 H new ATOM 0 HB THR A 47 4.236 -0.083 7.576 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.902 1.044 9.258 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.951 0.112 9.937 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.325 0.242 8.815 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.665 1.703 9.586 1.00 0.00 H new ATOM 803 N PHE A 48 7.424 1.580 6.458 1.00 0.00 N ATOM 804 CA PHE A 48 8.654 1.156 5.761 1.00 0.00 C ATOM 805 C PHE A 48 9.418 0.092 6.547 1.00 0.00 C ATOM 806 O PHE A 48 9.167 -0.112 7.738 1.00 0.00 O ATOM 807 CB PHE A 48 9.539 2.384 5.496 1.00 0.00 C ATOM 808 CG PHE A 48 8.850 3.422 4.621 1.00 0.00 C ATOM 809 CD1 PHE A 48 8.926 3.342 3.236 1.00 0.00 C ATOM 810 CD2 PHE A 48 8.102 4.454 5.185 1.00 0.00 C ATOM 811 CE1 PHE A 48 8.279 4.260 2.441 1.00 0.00 C ATOM 812 CE2 PHE A 48 7.459 5.374 4.388 1.00 0.00 C ATOM 813 CZ PHE A 48 7.550 5.277 3.014 1.00 0.00 C ATOM 0 H PHE A 48 7.583 2.297 7.166 1.00 0.00 H new ATOM 0 HA PHE A 48 8.371 0.701 4.812 1.00 0.00 H new ATOM 0 HB2 PHE A 48 9.815 2.841 6.446 1.00 0.00 H new ATOM 0 HB3 PHE A 48 10.464 2.064 5.015 1.00 0.00 H new ATOM 0 HD1 PHE A 48 9.500 2.550 2.778 1.00 0.00 H new ATOM 0 HD2 PHE A 48 8.026 4.533 6.259 1.00 0.00 H new ATOM 0 HE1 PHE A 48 8.343 4.182 1.366 1.00 0.00 H new ATOM 0 HE2 PHE A 48 6.884 6.170 4.837 1.00 0.00 H new ATOM 0 HZ PHE A 48 7.048 6.000 2.388 1.00 0.00 H new ATOM 823 N THR A 49 10.346 -0.588 5.850 1.00 0.00 N ATOM 824 CA THR A 49 11.167 -1.679 6.411 1.00 0.00 C ATOM 825 C THR A 49 12.085 -1.184 7.572 1.00 0.00 C ATOM 826 O THR A 49 12.426 0.001 7.623 1.00 0.00 O ATOM 827 CB THR A 49 12.009 -2.345 5.267 1.00 0.00 C ATOM 828 OG1 THR A 49 12.737 -1.339 4.546 1.00 0.00 O ATOM 829 CG2 THR A 49 11.115 -3.125 4.278 1.00 0.00 C ATOM 0 H THR A 49 10.550 -0.394 4.870 1.00 0.00 H new ATOM 0 HA THR A 49 10.497 -2.423 6.841 1.00 0.00 H new ATOM 0 HB THR A 49 12.698 -3.048 5.735 1.00 0.00 H new ATOM 0 HG1 THR A 49 13.262 -1.762 3.834 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.735 -3.571 3.501 1.00 0.00 H new ATOM 0 HG22 THR A 49 10.581 -3.911 4.812 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.397 -2.444 3.822 1.00 0.00 H new ATOM 960 N TYR A 59 7.670 8.546 7.047 1.00 0.00 N ATOM 961 CA TYR A 59 6.359 7.891 7.027 1.00 0.00 C ATOM 962 C TYR A 59 5.397 8.714 6.177 1.00 0.00 C ATOM 963 O TYR A 59 5.303 9.927 6.352 1.00 0.00 O ATOM 964 CB TYR A 59 5.803 7.701 8.461 1.00 0.00 C ATOM 965 CG TYR A 59 6.645 6.739 9.316 1.00 0.00 C ATOM 966 CD1 TYR A 59 6.643 5.365 9.053 1.00 0.00 C ATOM 967 CD2 TYR A 59 7.458 7.202 10.352 1.00 0.00 C ATOM 968 CE1 TYR A 59 7.418 4.496 9.796 1.00 0.00 C ATOM 969 CE2 TYR A 59 8.236 6.336 11.090 1.00 0.00 C ATOM 970 CZ TYR A 59 8.212 4.987 10.813 1.00 0.00 C ATOM 971 OH TYR A 59 8.993 4.123 11.551 1.00 0.00 O ATOM 0 HA TYR A 59 6.468 6.899 6.589 1.00 0.00 H new ATOM 0 HB2 TYR A 59 5.756 8.671 8.957 1.00 0.00 H new ATOM 0 HB3 TYR A 59 4.782 7.324 8.401 1.00 0.00 H new ATOM 0 HD1 TYR A 59 6.026 4.977 8.256 1.00 0.00 H new ATOM 0 HD2 TYR A 59 7.478 8.258 10.579 1.00 0.00 H new ATOM 0 HE1 TYR A 59 7.403 3.437 9.582 1.00 0.00 H new ATOM 0 HE2 TYR A 59 8.863 6.714 11.884 1.00 0.00 H new ATOM 0 HH TYR A 59 9.492 4.629 12.226 1.00 0.00 H new ATOM 981 N VAL A 60 4.761 8.048 5.221 1.00 0.00 N ATOM 982 CA VAL A 60 3.796 8.659 4.306 1.00 0.00 C ATOM 983 C VAL A 60 2.476 7.879 4.394 1.00 0.00 C ATOM 984 O VAL A 60 2.470 6.717 4.808 1.00 0.00 O ATOM 985 CB VAL A 60 4.347 8.693 2.828 1.00 0.00 C ATOM 986 CG1 VAL A 60 5.588 9.606 2.703 1.00 0.00 C ATOM 987 CG2 VAL A 60 4.673 7.279 2.321 1.00 0.00 C ATOM 0 H VAL A 60 4.901 7.052 5.054 1.00 0.00 H new ATOM 0 HA VAL A 60 3.625 9.695 4.598 1.00 0.00 H new ATOM 0 HB VAL A 60 3.557 9.109 2.203 1.00 0.00 H new ATOM 0 HG11 VAL A 60 5.939 9.604 1.671 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.323 10.622 2.994 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.379 9.236 3.356 1.00 0.00 H new ATOM 0 HG21 VAL A 60 5.050 7.337 1.300 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.430 6.828 2.963 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.770 6.668 2.340 1.00 0.00 H new ATOM 997 N TRP A 61 1.365 8.529 4.034 1.00 0.00 N ATOM 998 CA TRP A 61 0.029 7.906 4.056 1.00 0.00 C ATOM 999 C TRP A 61 -0.903 8.603 3.071 1.00 0.00 C ATOM 1000 O TRP A 61 -0.560 9.645 2.514 1.00 0.00 O ATOM 1001 CB TRP A 61 -0.587 7.919 5.489 1.00 0.00 C ATOM 1002 CG TRP A 61 -0.807 9.287 6.106 1.00 0.00 C ATOM 1003 CD1 TRP A 61 0.129 10.063 6.705 1.00 0.00 C ATOM 1004 CD2 TRP A 61 -2.042 10.021 6.206 1.00 0.00 C ATOM 1005 NE1 TRP A 61 -0.432 11.224 7.163 1.00 0.00 N ATOM 1006 CE2 TRP A 61 -1.762 11.214 6.884 1.00 0.00 C ATOM 1007 CE3 TRP A 61 -3.352 9.780 5.794 1.00 0.00 C ATOM 1008 CZ2 TRP A 61 -2.741 12.167 7.160 1.00 0.00 C ATOM 1009 CZ3 TRP A 61 -4.327 10.724 6.065 1.00 0.00 C ATOM 1010 CH2 TRP A 61 -4.018 11.903 6.751 1.00 0.00 C ATOM 0 H TRP A 61 1.361 9.499 3.719 1.00 0.00 H new ATOM 0 HA TRP A 61 0.146 6.865 3.754 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -1.544 7.399 5.456 1.00 0.00 H new ATOM 0 HB3 TRP A 61 0.065 7.346 6.148 1.00 0.00 H new ATOM 0 HD1 TRP A 61 1.172 9.802 6.807 1.00 0.00 H new ATOM 0 HE1 TRP A 61 0.068 11.976 7.638 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -3.602 8.869 5.271 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -2.499 13.083 7.679 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -5.342 10.548 5.742 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -4.801 12.616 6.961 1.00 0.00 H new ATOM 1021 N PHE A 62 -2.087 8.011 2.870 1.00 0.00 N ATOM 1022 CA PHE A 62 -3.116 8.562 1.980 1.00 0.00 C ATOM 1023 C PHE A 62 -4.508 8.153 2.478 1.00 0.00 C ATOM 1024 O PHE A 62 -4.691 7.034 2.966 1.00 0.00 O ATOM 1025 CB PHE A 62 -2.884 8.105 0.504 1.00 0.00 C ATOM 1026 CG PHE A 62 -2.718 6.589 0.301 1.00 0.00 C ATOM 1027 CD1 PHE A 62 -1.473 5.978 0.470 1.00 0.00 C ATOM 1028 CD2 PHE A 62 -3.798 5.782 -0.061 1.00 0.00 C ATOM 1029 CE1 PHE A 62 -1.317 4.617 0.288 1.00 0.00 C ATOM 1030 CE2 PHE A 62 -3.638 4.419 -0.241 1.00 0.00 C ATOM 1031 CZ PHE A 62 -2.398 3.838 -0.067 1.00 0.00 C ATOM 0 H PHE A 62 -2.358 7.137 3.320 1.00 0.00 H new ATOM 0 HA PHE A 62 -3.049 9.650 1.996 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.725 8.445 -0.100 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -1.994 8.605 0.122 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -0.619 6.579 0.747 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -4.772 6.227 -0.203 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.347 4.163 0.424 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -4.485 3.809 -0.518 1.00 0.00 H new ATOM 0 HZ PHE A 62 -2.275 2.774 -0.209 1.00 0.00 H new ATOM 1041 N ASN A 63 -5.482 9.065 2.332 1.00 0.00 N ATOM 1042 CA ASN A 63 -6.869 8.850 2.799 1.00 0.00 C ATOM 1043 C ASN A 63 -7.647 7.982 1.793 1.00 0.00 C ATOM 1044 O ASN A 63 -7.553 8.196 0.582 1.00 0.00 O ATOM 1045 CB ASN A 63 -7.601 10.206 3.058 1.00 0.00 C ATOM 1046 CG ASN A 63 -7.575 11.182 1.866 1.00 0.00 C ATOM 1047 OD1 ASN A 63 -6.719 12.058 1.782 1.00 0.00 O ATOM 1048 ND2 ASN A 63 -8.497 11.029 0.931 1.00 0.00 N ATOM 0 H ASN A 63 -5.335 9.972 1.888 1.00 0.00 H new ATOM 0 HA ASN A 63 -6.826 8.318 3.750 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.639 10.000 3.321 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -7.144 10.692 3.920 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -8.507 11.646 0.119 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -9.198 10.294 1.022 1.00 0.00 H new ATOM 1055 N ILE A 64 -8.390 6.977 2.293 1.00 0.00 N ATOM 1056 CA ILE A 64 -9.268 6.128 1.459 1.00 0.00 C ATOM 1057 C ILE A 64 -10.725 6.237 1.935 1.00 0.00 C ATOM 1058 O ILE A 64 -11.025 6.919 2.924 1.00 0.00 O ATOM 1059 CB ILE A 64 -8.816 4.610 1.442 1.00 0.00 C ATOM 1060 CG1 ILE A 64 -8.887 3.972 2.869 1.00 0.00 C ATOM 1061 CG2 ILE A 64 -7.399 4.455 0.824 1.00 0.00 C ATOM 1062 CD1 ILE A 64 -8.804 2.451 2.881 1.00 0.00 C ATOM 0 H ILE A 64 -8.400 6.730 3.282 1.00 0.00 H new ATOM 0 HA ILE A 64 -9.186 6.499 0.437 1.00 0.00 H new ATOM 0 HB ILE A 64 -9.517 4.066 0.809 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -8.074 4.373 3.474 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -9.819 4.277 3.345 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -7.115 3.403 0.825 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -7.406 4.828 -0.200 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -6.681 5.026 1.413 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -8.861 2.092 3.908 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -9.632 2.037 2.306 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -7.860 2.135 2.437 1.00 0.00 H new ATOM 1074 N GLY A 65 -11.620 5.581 1.196 1.00 0.00 N ATOM 1075 CA GLY A 65 -13.041 5.514 1.524 1.00 0.00 C ATOM 1076 C GLY A 65 -13.547 4.088 1.404 1.00 0.00 C ATOM 1077 O GLY A 65 -14.180 3.558 2.319 1.00 0.00 O ATOM 0 H GLY A 65 -11.374 5.076 0.344 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -13.204 5.880 2.538 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -13.606 6.164 0.856 1.00 0.00 H new ATOM 1081 N SER A 66 -13.258 3.459 0.258 1.00 0.00 N ATOM 1082 CA SER A 66 -13.605 2.063 -0.014 1.00 0.00 C ATOM 1083 C SER A 66 -12.367 1.174 0.189 1.00 0.00 C ATOM 1084 O SER A 66 -11.407 1.237 -0.596 1.00 0.00 O ATOM 1085 CB SER A 66 -14.148 1.927 -1.452 1.00 0.00 C ATOM 1086 OG SER A 66 -14.441 0.572 -1.785 1.00 0.00 O ATOM 0 H SER A 66 -12.771 3.913 -0.514 1.00 0.00 H new ATOM 0 HA SER A 66 -14.383 1.739 0.678 1.00 0.00 H new ATOM 0 HB2 SER A 66 -15.050 2.530 -1.558 1.00 0.00 H new ATOM 0 HB3 SER A 66 -13.416 2.323 -2.155 1.00 0.00 H new ATOM 0 HG SER A 66 -14.238 0.416 -2.731 1.00 0.00 H new ATOM 1092 N VAL A 67 -12.398 0.379 1.273 1.00 0.00 N ATOM 1093 CA VAL A 67 -11.416 -0.689 1.545 1.00 0.00 C ATOM 1094 C VAL A 67 -11.392 -1.702 0.389 1.00 0.00 C ATOM 1095 O VAL A 67 -10.326 -2.163 -0.004 1.00 0.00 O ATOM 1096 CB VAL A 67 -11.738 -1.418 2.898 1.00 0.00 C ATOM 1097 CG1 VAL A 67 -10.718 -2.549 3.208 1.00 0.00 C ATOM 1098 CG2 VAL A 67 -11.802 -0.395 4.050 1.00 0.00 C ATOM 0 H VAL A 67 -13.114 0.460 1.995 1.00 0.00 H new ATOM 0 HA VAL A 67 -10.432 -0.229 1.631 1.00 0.00 H new ATOM 0 HB VAL A 67 -12.713 -1.894 2.797 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -10.979 -3.026 4.153 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -10.742 -3.290 2.409 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.716 -2.126 3.280 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -12.026 -0.912 4.983 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -10.842 0.114 4.138 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -12.583 0.337 3.844 1.00 0.00 H new ATOM 1108 N ASP A 68 -12.590 -1.985 -0.177 1.00 0.00 N ATOM 1109 CA ASP A 68 -12.781 -2.856 -1.356 1.00 0.00 C ATOM 1110 C ASP A 68 -11.895 -2.388 -2.523 1.00 0.00 C ATOM 1111 O ASP A 68 -11.156 -3.183 -3.107 1.00 0.00 O ATOM 1112 CB ASP A 68 -14.289 -2.822 -1.771 1.00 0.00 C ATOM 1113 CG ASP A 68 -14.615 -3.563 -3.085 1.00 0.00 C ATOM 1114 OD1 ASP A 68 -14.485 -2.954 -4.178 1.00 0.00 O ATOM 1115 OD2 ASP A 68 -14.986 -4.754 -3.040 1.00 0.00 O ATOM 0 H ASP A 68 -13.466 -1.606 0.182 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.493 -3.876 -1.104 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -14.882 -3.258 -0.967 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -14.601 -1.782 -1.870 1.00 0.00 H new ATOM 1120 N THR A 69 -11.977 -1.080 -2.817 1.00 0.00 N ATOM 1121 CA THR A 69 -11.254 -0.452 -3.931 1.00 0.00 C ATOM 1122 C THR A 69 -9.731 -0.469 -3.690 1.00 0.00 C ATOM 1123 O THR A 69 -8.965 -0.798 -4.604 1.00 0.00 O ATOM 1124 CB THR A 69 -11.780 0.996 -4.182 1.00 0.00 C ATOM 1125 OG1 THR A 69 -13.189 0.937 -4.475 1.00 0.00 O ATOM 1126 CG2 THR A 69 -11.064 1.698 -5.345 1.00 0.00 C ATOM 0 H THR A 69 -12.551 -0.426 -2.284 1.00 0.00 H new ATOM 0 HA THR A 69 -11.443 -1.036 -4.831 1.00 0.00 H new ATOM 0 HB THR A 69 -11.582 1.573 -3.279 1.00 0.00 H new ATOM 0 HG1 THR A 69 -13.529 1.843 -4.632 1.00 0.00 H new ATOM 0 HG21 THR A 69 -11.472 2.701 -5.472 1.00 0.00 H new ATOM 0 HG22 THR A 69 -9.998 1.765 -5.129 1.00 0.00 H new ATOM 0 HG23 THR A 69 -11.213 1.127 -6.262 1.00 0.00 H new ATOM 1134 N PHE A 70 -9.311 -0.140 -2.451 1.00 0.00 N ATOM 1135 CA PHE A 70 -7.901 -0.256 -2.019 1.00 0.00 C ATOM 1136 C PHE A 70 -7.359 -1.679 -2.279 1.00 0.00 C ATOM 1137 O PHE A 70 -6.319 -1.838 -2.908 1.00 0.00 O ATOM 1138 CB PHE A 70 -7.752 0.121 -0.510 1.00 0.00 C ATOM 1139 CG PHE A 70 -6.354 -0.149 0.078 1.00 0.00 C ATOM 1140 CD1 PHE A 70 -5.243 0.571 -0.358 1.00 0.00 C ATOM 1141 CD2 PHE A 70 -6.159 -1.142 1.045 1.00 0.00 C ATOM 1142 CE1 PHE A 70 -3.984 0.312 0.157 1.00 0.00 C ATOM 1143 CE2 PHE A 70 -4.902 -1.394 1.558 1.00 0.00 C ATOM 1144 CZ PHE A 70 -3.815 -0.669 1.112 1.00 0.00 C ATOM 0 H PHE A 70 -9.935 0.212 -1.725 1.00 0.00 H new ATOM 0 HA PHE A 70 -7.310 0.445 -2.608 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -7.986 1.178 -0.387 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -8.489 -0.438 0.066 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.366 1.340 -1.106 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -7.003 -1.719 1.394 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -3.133 0.879 -0.190 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.769 -2.159 2.309 1.00 0.00 H new ATOM 0 HZ PHE A 70 -2.832 -0.870 1.511 1.00 0.00 H new ATOM 1154 N GLU A 71 -8.122 -2.682 -1.838 1.00 0.00 N ATOM 1155 CA GLU A 71 -7.718 -4.098 -1.850 1.00 0.00 C ATOM 1156 C GLU A 71 -7.546 -4.657 -3.270 1.00 0.00 C ATOM 1157 O GLU A 71 -6.505 -5.249 -3.580 1.00 0.00 O ATOM 1158 CB GLU A 71 -8.776 -4.938 -1.085 1.00 0.00 C ATOM 1159 CG GLU A 71 -8.704 -4.819 0.445 1.00 0.00 C ATOM 1160 CD GLU A 71 -7.461 -5.505 1.013 1.00 0.00 C ATOM 1161 OE1 GLU A 71 -7.419 -6.754 0.988 1.00 0.00 O ATOM 1162 OE2 GLU A 71 -6.513 -4.822 1.466 1.00 0.00 O ATOM 0 H GLU A 71 -9.056 -2.535 -1.455 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.746 -4.163 -1.362 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.770 -4.633 -1.413 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -8.657 -5.986 -1.361 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -8.698 -3.766 0.727 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.597 -5.262 0.886 1.00 0.00 H new ATOM 1169 N ARG A 72 -8.575 -4.469 -4.116 1.00 0.00 N ATOM 1170 CA ARG A 72 -8.600 -5.047 -5.471 1.00 0.00 C ATOM 1171 C ARG A 72 -7.545 -4.399 -6.370 1.00 0.00 C ATOM 1172 O ARG A 72 -6.882 -5.092 -7.144 1.00 0.00 O ATOM 1173 CB ARG A 72 -10.015 -4.957 -6.100 1.00 0.00 C ATOM 1174 CG ARG A 72 -10.592 -3.532 -6.233 1.00 0.00 C ATOM 1175 CD ARG A 72 -12.034 -3.518 -6.773 1.00 0.00 C ATOM 1176 NE ARG A 72 -12.686 -2.213 -6.538 1.00 0.00 N ATOM 1177 CZ ARG A 72 -13.079 -1.338 -7.475 1.00 0.00 C ATOM 1178 NH1 ARG A 72 -12.904 -1.590 -8.770 1.00 0.00 N ATOM 1179 NH2 ARG A 72 -13.648 -0.201 -7.110 1.00 0.00 N ATOM 0 H ARG A 72 -9.402 -3.919 -3.884 1.00 0.00 H new ATOM 0 HA ARG A 72 -8.351 -6.104 -5.382 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -9.983 -5.411 -7.090 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -10.700 -5.553 -5.497 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -10.569 -3.044 -5.259 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -9.955 -2.948 -6.897 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -12.026 -3.735 -7.841 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -12.612 -4.307 -6.292 1.00 0.00 H new ATOM 0 HE ARG A 72 -12.854 -1.952 -5.566 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -12.464 -2.462 -9.065 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -13.210 -0.912 -9.467 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -13.786 0.006 -6.121 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -13.949 0.469 -7.818 1.00 0.00 H new ATOM 1193 N ASN A 73 -7.349 -3.082 -6.225 1.00 0.00 N ATOM 1194 CA ASN A 73 -6.354 -2.348 -7.022 1.00 0.00 C ATOM 1195 C ASN A 73 -4.941 -2.696 -6.555 1.00 0.00 C ATOM 1196 O ASN A 73 -4.048 -2.828 -7.375 1.00 0.00 O ATOM 1197 CB ASN A 73 -6.592 -0.819 -6.949 1.00 0.00 C ATOM 1198 CG ASN A 73 -7.940 -0.384 -7.532 1.00 0.00 C ATOM 1199 OD1 ASN A 73 -8.498 -1.029 -8.419 1.00 0.00 O ATOM 1200 ND2 ASN A 73 -8.462 0.724 -7.039 1.00 0.00 N ATOM 0 H ASN A 73 -7.865 -2.502 -5.564 1.00 0.00 H new ATOM 0 HA ASN A 73 -6.464 -2.651 -8.063 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -6.534 -0.499 -5.909 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -5.791 -0.308 -7.484 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -9.354 1.069 -7.393 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -7.973 1.235 -6.304 1.00 0.00 H new ATOM 1207 N LEU A 74 -4.767 -2.834 -5.229 1.00 0.00 N ATOM 1208 CA LEU A 74 -3.486 -3.217 -4.604 1.00 0.00 C ATOM 1209 C LEU A 74 -2.999 -4.592 -5.089 1.00 0.00 C ATOM 1210 O LEU A 74 -1.880 -4.711 -5.578 1.00 0.00 O ATOM 1211 CB LEU A 74 -3.632 -3.227 -3.059 1.00 0.00 C ATOM 1212 CG LEU A 74 -2.328 -3.453 -2.244 1.00 0.00 C ATOM 1213 CD1 LEU A 74 -1.315 -2.320 -2.493 1.00 0.00 C ATOM 1214 CD2 LEU A 74 -2.639 -3.603 -0.741 1.00 0.00 C ATOM 0 H LEU A 74 -5.517 -2.682 -4.554 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.742 -2.477 -4.900 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.067 -2.276 -2.751 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.344 -4.007 -2.788 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.874 -4.383 -2.586 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.413 -2.504 -1.910 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.062 -2.285 -3.553 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.753 -1.368 -2.193 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.711 -3.760 -0.191 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.127 -2.698 -0.378 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.299 -4.457 -0.590 1.00 0.00 H new ATOM 1226 N GLU A 75 -3.865 -5.612 -4.952 1.00 0.00 N ATOM 1227 CA GLU A 75 -3.528 -7.013 -5.283 1.00 0.00 C ATOM 1228 C GLU A 75 -3.209 -7.178 -6.790 1.00 0.00 C ATOM 1229 O GLU A 75 -2.262 -7.894 -7.154 1.00 0.00 O ATOM 1230 CB GLU A 75 -4.669 -7.987 -4.865 1.00 0.00 C ATOM 1231 CG GLU A 75 -5.977 -7.836 -5.667 1.00 0.00 C ATOM 1232 CD GLU A 75 -7.003 -8.943 -5.398 1.00 0.00 C ATOM 1233 OE1 GLU A 75 -6.694 -10.123 -5.660 1.00 0.00 O ATOM 1234 OE2 GLU A 75 -8.131 -8.640 -4.980 1.00 0.00 O ATOM 0 H GLU A 75 -4.818 -5.491 -4.609 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.634 -7.268 -4.714 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -4.310 -9.011 -4.972 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -4.888 -7.835 -3.808 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -6.427 -6.872 -5.431 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.740 -7.825 -6.731 1.00 0.00 H new ATOM 1241 N THR A 76 -3.994 -6.480 -7.640 1.00 0.00 N ATOM 1242 CA THR A 76 -3.824 -6.491 -9.098 1.00 0.00 C ATOM 1243 C THR A 76 -2.496 -5.812 -9.471 1.00 0.00 C ATOM 1244 O THR A 76 -1.694 -6.363 -10.211 1.00 0.00 O ATOM 1245 CB THR A 76 -5.030 -5.774 -9.794 1.00 0.00 C ATOM 1246 OG1 THR A 76 -6.250 -6.459 -9.460 1.00 0.00 O ATOM 1247 CG2 THR A 76 -4.894 -5.719 -11.328 1.00 0.00 C ATOM 0 H THR A 76 -4.766 -5.892 -7.326 1.00 0.00 H new ATOM 0 HA THR A 76 -3.799 -7.523 -9.447 1.00 0.00 H new ATOM 0 HB THR A 76 -5.042 -4.747 -9.429 1.00 0.00 H new ATOM 0 HG1 THR A 76 -6.619 -6.085 -8.633 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.760 -5.211 -11.752 1.00 0.00 H new ATOM 0 HG22 THR A 76 -3.988 -5.175 -11.594 1.00 0.00 H new ATOM 0 HG23 THR A 76 -4.838 -6.733 -11.725 1.00 0.00 H new ATOM 1255 N LEU A 77 -2.290 -4.621 -8.903 1.00 0.00 N ATOM 1256 CA LEU A 77 -1.048 -3.839 -9.030 1.00 0.00 C ATOM 1257 C LEU A 77 0.195 -4.675 -8.693 1.00 0.00 C ATOM 1258 O LEU A 77 1.128 -4.738 -9.485 1.00 0.00 O ATOM 1259 CB LEU A 77 -1.135 -2.611 -8.107 1.00 0.00 C ATOM 1260 CG LEU A 77 0.033 -1.604 -8.162 1.00 0.00 C ATOM 1261 CD1 LEU A 77 0.249 -1.051 -9.591 1.00 0.00 C ATOM 1262 CD2 LEU A 77 -0.221 -0.479 -7.152 1.00 0.00 C ATOM 0 H LEU A 77 -2.995 -4.159 -8.328 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.945 -3.521 -10.068 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.054 -2.075 -8.343 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.227 -2.966 -7.080 1.00 0.00 H new ATOM 0 HG LEU A 77 0.954 -2.120 -7.892 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.080 -0.346 -9.586 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.475 -1.874 -10.269 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.656 -0.543 -9.925 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.602 0.235 -7.188 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.153 0.029 -7.400 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.293 -0.900 -6.149 1.00 0.00 H new ATOM 1274 N GLN A 78 0.141 -5.377 -7.547 1.00 0.00 N ATOM 1275 CA GLN A 78 1.251 -6.209 -7.059 1.00 0.00 C ATOM 1276 C GLN A 78 1.564 -7.360 -8.045 1.00 0.00 C ATOM 1277 O GLN A 78 2.724 -7.540 -8.423 1.00 0.00 O ATOM 1278 CB GLN A 78 0.933 -6.748 -5.634 1.00 0.00 C ATOM 1279 CG GLN A 78 0.966 -5.665 -4.521 1.00 0.00 C ATOM 1280 CD GLN A 78 0.543 -6.167 -3.129 1.00 0.00 C ATOM 1281 OE1 GLN A 78 1.057 -5.704 -2.109 1.00 0.00 O ATOM 1282 NE2 GLN A 78 -0.423 -7.078 -3.065 1.00 0.00 N ATOM 0 H GLN A 78 -0.674 -5.382 -6.934 1.00 0.00 H new ATOM 0 HA GLN A 78 2.146 -5.589 -6.996 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -0.053 -7.212 -5.645 1.00 0.00 H new ATOM 0 HB3 GLN A 78 1.650 -7.530 -5.385 1.00 0.00 H new ATOM 0 HG2 GLN A 78 1.976 -5.260 -4.456 1.00 0.00 H new ATOM 0 HG3 GLN A 78 0.311 -4.844 -4.811 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -0.834 -7.447 -3.923 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -0.754 -7.408 -2.158 1.00 0.00 H new ATOM 1291 N GLN A 79 0.518 -8.066 -8.520 1.00 0.00 N ATOM 1292 CA GLN A 79 0.700 -9.228 -9.427 1.00 0.00 C ATOM 1293 C GLN A 79 1.259 -8.774 -10.802 1.00 0.00 C ATOM 1294 O GLN A 79 1.996 -9.518 -11.455 1.00 0.00 O ATOM 1295 CB GLN A 79 -0.605 -10.052 -9.603 1.00 0.00 C ATOM 1296 CG GLN A 79 -1.683 -9.427 -10.499 1.00 0.00 C ATOM 1297 CD GLN A 79 -2.884 -10.340 -10.740 1.00 0.00 C ATOM 1298 OE1 GLN A 79 -3.852 -10.323 -9.992 1.00 0.00 O ATOM 1299 NE2 GLN A 79 -2.823 -11.152 -11.786 1.00 0.00 N ATOM 0 H GLN A 79 -0.455 -7.858 -8.296 1.00 0.00 H new ATOM 0 HA GLN A 79 1.430 -9.887 -8.957 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -0.342 -11.027 -10.012 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -1.037 -10.226 -8.617 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -2.029 -8.499 -10.044 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -1.238 -9.165 -11.459 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -2.002 -11.143 -12.391 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -3.597 -11.786 -11.985 1.00 0.00 H new ATOM 1308 N GLU A 80 0.913 -7.533 -11.207 1.00 0.00 N ATOM 1309 CA GLU A 80 1.423 -6.898 -12.442 1.00 0.00 C ATOM 1310 C GLU A 80 2.908 -6.536 -12.297 1.00 0.00 C ATOM 1311 O GLU A 80 3.706 -6.762 -13.217 1.00 0.00 O ATOM 1312 CB GLU A 80 0.586 -5.634 -12.777 1.00 0.00 C ATOM 1313 CG GLU A 80 -0.878 -5.934 -13.159 1.00 0.00 C ATOM 1314 CD GLU A 80 -1.741 -4.671 -13.324 1.00 0.00 C ATOM 1315 OE1 GLU A 80 -2.015 -3.999 -12.315 1.00 0.00 O ATOM 1316 OE2 GLU A 80 -2.153 -4.347 -14.459 1.00 0.00 O ATOM 0 H GLU A 80 0.269 -6.940 -10.684 1.00 0.00 H new ATOM 0 HA GLU A 80 1.327 -7.611 -13.261 1.00 0.00 H new ATOM 0 HB2 GLU A 80 0.596 -4.965 -11.916 1.00 0.00 H new ATOM 0 HB3 GLU A 80 1.064 -5.102 -13.600 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -0.893 -6.499 -14.091 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.322 -6.570 -12.393 1.00 0.00 H new ATOM 1323 N LEU A 81 3.267 -5.989 -11.120 1.00 0.00 N ATOM 1324 CA LEU A 81 4.653 -5.591 -10.790 1.00 0.00 C ATOM 1325 C LEU A 81 5.555 -6.822 -10.562 1.00 0.00 C ATOM 1326 O LEU A 81 6.780 -6.686 -10.514 1.00 0.00 O ATOM 1327 CB LEU A 81 4.662 -4.681 -9.522 1.00 0.00 C ATOM 1328 CG LEU A 81 3.896 -3.322 -9.629 1.00 0.00 C ATOM 1329 CD1 LEU A 81 3.951 -2.529 -8.300 1.00 0.00 C ATOM 1330 CD2 LEU A 81 4.419 -2.482 -10.804 1.00 0.00 C ATOM 0 H LEU A 81 2.603 -5.809 -10.367 1.00 0.00 H new ATOM 0 HA LEU A 81 5.052 -5.034 -11.638 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.237 -5.247 -8.693 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.699 -4.468 -9.263 1.00 0.00 H new ATOM 0 HG LEU A 81 2.849 -3.552 -9.825 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.408 -1.591 -8.413 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.494 -3.119 -7.505 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.990 -2.318 -8.045 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.868 -1.543 -10.854 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.479 -2.273 -10.659 1.00 0.00 H new ATOM 0 HD23 LEU A 81 4.282 -3.033 -11.735 1.00 0.00 H new ATOM 1342 N GLY A 82 4.936 -8.017 -10.439 1.00 0.00 N ATOM 1343 CA GLY A 82 5.655 -9.264 -10.160 1.00 0.00 C ATOM 1344 C GLY A 82 5.770 -9.557 -8.669 1.00 0.00 C ATOM 1345 O GLY A 82 6.339 -10.577 -8.268 1.00 0.00 O ATOM 0 H GLY A 82 3.927 -8.136 -10.531 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.142 -10.092 -10.650 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.654 -9.207 -10.593 1.00 0.00 H new ATOM 1349 N ILE A 83 5.219 -8.642 -7.861 1.00 0.00 N ATOM 1350 CA ILE A 83 5.153 -8.746 -6.405 1.00 0.00 C ATOM 1351 C ILE A 83 4.064 -9.791 -6.059 1.00 0.00 C ATOM 1352 O ILE A 83 2.868 -9.465 -5.989 1.00 0.00 O ATOM 1353 CB ILE A 83 4.805 -7.330 -5.784 1.00 0.00 C ATOM 1354 CG1 ILE A 83 5.853 -6.256 -6.211 1.00 0.00 C ATOM 1355 CG2 ILE A 83 4.675 -7.389 -4.255 1.00 0.00 C ATOM 1356 CD1 ILE A 83 5.566 -4.843 -5.713 1.00 0.00 C ATOM 0 H ILE A 83 4.795 -7.785 -8.217 1.00 0.00 H new ATOM 0 HA ILE A 83 6.110 -9.062 -5.989 1.00 0.00 H new ATOM 0 HB ILE A 83 3.833 -7.037 -6.182 1.00 0.00 H new ATOM 0 HG12 ILE A 83 6.834 -6.562 -5.846 1.00 0.00 H new ATOM 0 HG13 ILE A 83 5.909 -6.237 -7.299 1.00 0.00 H new ATOM 0 HG21 ILE A 83 4.436 -6.397 -3.872 1.00 0.00 H new ATOM 0 HG22 ILE A 83 3.880 -8.084 -3.984 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.616 -7.728 -3.823 1.00 0.00 H new ATOM 0 HD11 ILE A 83 6.349 -4.169 -6.060 1.00 0.00 H new ATOM 0 HD12 ILE A 83 4.603 -4.510 -6.099 1.00 0.00 H new ATOM 0 HD13 ILE A 83 5.541 -4.839 -4.623 1.00 0.00 H new ATOM 1368 N GLU A 84 4.482 -11.063 -5.903 1.00 0.00 N ATOM 1369 CA GLU A 84 3.547 -12.200 -5.723 1.00 0.00 C ATOM 1370 C GLU A 84 3.911 -13.028 -4.482 1.00 0.00 C ATOM 1371 O GLU A 84 5.078 -13.069 -4.077 1.00 0.00 O ATOM 1372 CB GLU A 84 3.516 -13.106 -6.994 1.00 0.00 C ATOM 1373 CG GLU A 84 4.842 -13.816 -7.349 1.00 0.00 C ATOM 1374 CD GLU A 84 4.661 -14.920 -8.416 1.00 0.00 C ATOM 1375 OE1 GLU A 84 4.274 -16.056 -8.056 1.00 0.00 O ATOM 1376 OE2 GLU A 84 4.894 -14.660 -9.615 1.00 0.00 O ATOM 0 H GLU A 84 5.466 -11.333 -5.898 1.00 0.00 H new ATOM 0 HA GLU A 84 2.550 -11.785 -5.573 1.00 0.00 H new ATOM 0 HB2 GLU A 84 2.745 -13.865 -6.857 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.214 -12.495 -7.845 1.00 0.00 H new ATOM 0 HG2 GLU A 84 5.558 -13.079 -7.713 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.267 -14.255 -6.446 1.00 0.00 H new ATOM 1383 N GLY A 85 2.878 -13.670 -3.899 1.00 0.00 N ATOM 1384 CA GLY A 85 3.025 -14.542 -2.739 1.00 0.00 C ATOM 1385 C GLY A 85 3.602 -13.826 -1.525 1.00 0.00 C ATOM 1386 O GLY A 85 3.001 -12.873 -1.019 1.00 0.00 O ATOM 0 H GLY A 85 1.916 -13.591 -4.230 1.00 0.00 H new ATOM 0 HA2 GLY A 85 2.052 -14.959 -2.479 1.00 0.00 H new ATOM 0 HA3 GLY A 85 3.671 -15.380 -3.001 1.00 0.00 H new ATOM 1390 N GLU A 86 4.806 -14.267 -1.108 1.00 0.00 N ATOM 1391 CA GLU A 86 5.531 -13.726 0.062 1.00 0.00 C ATOM 1392 C GLU A 86 5.944 -12.260 -0.156 1.00 0.00 C ATOM 1393 O GLU A 86 6.090 -11.505 0.802 1.00 0.00 O ATOM 1394 CB GLU A 86 6.788 -14.591 0.351 1.00 0.00 C ATOM 1395 CG GLU A 86 6.473 -16.060 0.703 1.00 0.00 C ATOM 1396 CD GLU A 86 7.731 -16.938 0.833 1.00 0.00 C ATOM 1397 OE1 GLU A 86 8.463 -16.799 1.837 1.00 0.00 O ATOM 1398 OE2 GLU A 86 8.004 -17.756 -0.075 1.00 0.00 O ATOM 0 H GLU A 86 5.309 -15.018 -1.580 1.00 0.00 H new ATOM 0 HA GLU A 86 4.857 -13.760 0.918 1.00 0.00 H new ATOM 0 HB2 GLU A 86 7.440 -14.569 -0.522 1.00 0.00 H new ATOM 0 HB3 GLU A 86 7.344 -14.142 1.174 1.00 0.00 H new ATOM 0 HG2 GLU A 86 5.918 -16.091 1.641 1.00 0.00 H new ATOM 0 HG3 GLU A 86 5.823 -16.479 -0.065 1.00 0.00 H new ATOM 1405 N ASN A 87 6.115 -11.874 -1.429 1.00 0.00 N ATOM 1406 CA ASN A 87 6.581 -10.529 -1.799 1.00 0.00 C ATOM 1407 C ASN A 87 5.492 -9.470 -1.592 1.00 0.00 C ATOM 1408 O ASN A 87 5.817 -8.290 -1.394 1.00 0.00 O ATOM 1409 CB ASN A 87 7.105 -10.512 -3.264 1.00 0.00 C ATOM 1410 CG ASN A 87 8.345 -11.396 -3.470 1.00 0.00 C ATOM 1411 OD1 ASN A 87 8.448 -12.481 -2.900 1.00 0.00 O ATOM 1412 ND2 ASN A 87 9.307 -10.921 -4.246 1.00 0.00 N ATOM 0 H ASN A 87 5.935 -12.482 -2.228 1.00 0.00 H new ATOM 0 HA ASN A 87 7.407 -10.274 -1.135 1.00 0.00 H new ATOM 0 HB2 ASN A 87 6.311 -10.848 -3.931 1.00 0.00 H new ATOM 0 HB3 ASN A 87 7.346 -9.487 -3.546 1.00 0.00 H new ATOM 0 HD21 ASN A 87 10.163 -11.459 -4.384 1.00 0.00 H new ATOM 0 HD22 ASN A 87 9.192 -10.018 -4.705 1.00 0.00 H new ATOM 1419 N ARG A 88 4.205 -9.896 -1.618 1.00 0.00 N ATOM 1420 CA ARG A 88 3.059 -8.980 -1.433 1.00 0.00 C ATOM 1421 C ARG A 88 3.089 -8.345 -0.037 1.00 0.00 C ATOM 1422 O ARG A 88 3.340 -9.033 0.952 1.00 0.00 O ATOM 1423 CB ARG A 88 1.707 -9.702 -1.672 1.00 0.00 C ATOM 1424 CG ARG A 88 1.495 -10.197 -3.118 1.00 0.00 C ATOM 1425 CD ARG A 88 0.082 -10.760 -3.349 1.00 0.00 C ATOM 1426 NE ARG A 88 -0.145 -11.173 -4.746 1.00 0.00 N ATOM 1427 CZ ARG A 88 -1.277 -10.971 -5.445 1.00 0.00 C ATOM 1428 NH1 ARG A 88 -2.315 -10.343 -4.893 1.00 0.00 N ATOM 1429 NH2 ARG A 88 -1.392 -11.446 -6.673 1.00 0.00 N ATOM 0 H ARG A 88 3.938 -10.869 -1.766 1.00 0.00 H new ATOM 0 HA ARG A 88 3.150 -8.189 -2.177 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.640 -10.554 -0.996 1.00 0.00 H new ATOM 0 HB3 ARG A 88 0.895 -9.023 -1.411 1.00 0.00 H new ATOM 0 HG2 ARG A 88 1.672 -9.373 -3.810 1.00 0.00 H new ATOM 0 HG3 ARG A 88 2.231 -10.968 -3.346 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -0.076 -11.615 -2.692 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -0.655 -10.006 -3.073 1.00 0.00 H new ATOM 0 HE ARG A 88 0.620 -11.652 -5.222 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -2.257 -10.010 -3.931 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -3.168 -10.196 -5.433 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -0.622 -11.967 -7.093 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -2.251 -11.292 -7.201 1.00 0.00 H new ATOM 1443 N VAL A 89 2.851 -7.028 0.019 1.00 0.00 N ATOM 1444 CA VAL A 89 2.991 -6.225 1.241 1.00 0.00 C ATOM 1445 C VAL A 89 1.772 -6.444 2.176 1.00 0.00 C ATOM 1446 O VAL A 89 0.639 -6.163 1.764 1.00 0.00 O ATOM 1447 CB VAL A 89 3.168 -4.705 0.865 1.00 0.00 C ATOM 1448 CG1 VAL A 89 3.248 -3.807 2.114 1.00 0.00 C ATOM 1449 CG2 VAL A 89 4.417 -4.517 -0.033 1.00 0.00 C ATOM 0 H VAL A 89 2.553 -6.485 -0.791 1.00 0.00 H new ATOM 0 HA VAL A 89 3.881 -6.545 1.783 1.00 0.00 H new ATOM 0 HB VAL A 89 2.284 -4.396 0.308 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.370 -2.768 1.808 1.00 0.00 H new ATOM 0 HG12 VAL A 89 2.331 -3.909 2.695 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.100 -4.108 2.724 1.00 0.00 H new ATOM 0 HG21 VAL A 89 4.528 -3.463 -0.286 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.304 -4.857 0.501 1.00 0.00 H new ATOM 0 HG23 VAL A 89 4.299 -5.099 -0.947 1.00 0.00 H new ATOM 1459 N PRO A 90 1.991 -6.972 3.437 1.00 0.00 N ATOM 1460 CA PRO A 90 0.898 -7.314 4.388 1.00 0.00 C ATOM 1461 C PRO A 90 0.069 -6.094 4.825 1.00 0.00 C ATOM 1462 O PRO A 90 0.620 -5.045 5.157 1.00 0.00 O ATOM 1463 CB PRO A 90 1.644 -7.956 5.596 1.00 0.00 C ATOM 1464 CG PRO A 90 3.048 -7.453 5.503 1.00 0.00 C ATOM 1465 CD PRO A 90 3.325 -7.296 4.023 1.00 0.00 C ATOM 0 HA PRO A 90 0.165 -7.978 3.931 1.00 0.00 H new ATOM 0 HB2 PRO A 90 1.184 -7.667 6.541 1.00 0.00 H new ATOM 0 HB3 PRO A 90 1.612 -9.044 5.545 1.00 0.00 H new ATOM 0 HG2 PRO A 90 3.160 -6.503 6.026 1.00 0.00 H new ATOM 0 HG3 PRO A 90 3.747 -8.153 5.961 1.00 0.00 H new ATOM 0 HD2 PRO A 90 4.047 -6.502 3.834 1.00 0.00 H new ATOM 0 HD3 PRO A 90 3.737 -8.210 3.595 1.00 0.00 H new ATOM 1473 N VAL A 91 -1.256 -6.261 4.830 1.00 0.00 N ATOM 1474 CA VAL A 91 -2.208 -5.186 5.138 1.00 0.00 C ATOM 1475 C VAL A 91 -2.817 -5.424 6.526 1.00 0.00 C ATOM 1476 O VAL A 91 -3.512 -6.418 6.746 1.00 0.00 O ATOM 1477 CB VAL A 91 -3.333 -5.096 4.043 1.00 0.00 C ATOM 1478 CG1 VAL A 91 -4.294 -3.925 4.323 1.00 0.00 C ATOM 1479 CG2 VAL A 91 -2.708 -4.978 2.636 1.00 0.00 C ATOM 0 H VAL A 91 -1.704 -7.153 4.619 1.00 0.00 H new ATOM 0 HA VAL A 91 -1.676 -4.235 5.140 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.918 -6.015 4.082 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -5.060 -3.890 3.548 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.767 -4.067 5.295 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.736 -2.989 4.324 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -3.500 -4.917 1.890 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.092 -4.080 2.586 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.090 -5.854 2.438 1.00 0.00 H new ATOM 1489 N VAL A 92 -2.550 -4.495 7.458 1.00 0.00 N ATOM 1490 CA VAL A 92 -2.953 -4.615 8.861 1.00 0.00 C ATOM 1491 C VAL A 92 -4.133 -3.660 9.107 1.00 0.00 C ATOM 1492 O VAL A 92 -3.938 -2.445 9.252 1.00 0.00 O ATOM 1493 CB VAL A 92 -1.749 -4.293 9.829 1.00 0.00 C ATOM 1494 CG1 VAL A 92 -2.132 -4.535 11.309 1.00 0.00 C ATOM 1495 CG2 VAL A 92 -0.492 -5.106 9.430 1.00 0.00 C ATOM 0 H VAL A 92 -2.044 -3.634 7.253 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.259 -5.640 9.070 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.511 -3.234 9.727 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.280 -4.303 11.948 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.971 -3.893 11.577 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -2.415 -5.579 11.446 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.326 -4.869 10.110 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.714 -6.172 9.488 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.202 -4.851 8.411 1.00 0.00 H new ATOM 1505 N TYR A 93 -5.356 -4.217 9.090 1.00 0.00 N ATOM 1506 CA TYR A 93 -6.593 -3.447 9.267 1.00 0.00 C ATOM 1507 C TYR A 93 -6.737 -3.072 10.743 1.00 0.00 C ATOM 1508 O TYR A 93 -7.126 -3.898 11.573 1.00 0.00 O ATOM 1509 CB TYR A 93 -7.835 -4.255 8.791 1.00 0.00 C ATOM 1510 CG TYR A 93 -7.647 -4.941 7.429 1.00 0.00 C ATOM 1511 CD1 TYR A 93 -7.898 -4.276 6.231 1.00 0.00 C ATOM 1512 CD2 TYR A 93 -7.190 -6.258 7.359 1.00 0.00 C ATOM 1513 CE1 TYR A 93 -7.704 -4.904 5.017 1.00 0.00 C ATOM 1514 CE2 TYR A 93 -6.988 -6.881 6.153 1.00 0.00 C ATOM 1515 CZ TYR A 93 -7.246 -6.203 4.988 1.00 0.00 C ATOM 1516 OH TYR A 93 -7.038 -6.833 3.796 1.00 0.00 O ATOM 0 H TYR A 93 -5.512 -5.216 8.953 1.00 0.00 H new ATOM 0 HA TYR A 93 -6.537 -2.544 8.658 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -8.072 -5.012 9.538 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -8.692 -3.584 8.734 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -8.249 -3.255 6.252 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -6.991 -6.798 8.273 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -7.910 -4.380 4.095 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -6.628 -7.899 6.121 1.00 0.00 H new ATOM 0 HH TYR A 93 -6.714 -7.743 3.959 1.00 0.00 H new ATOM 1526 N ILE A 94 -6.371 -1.840 11.058 1.00 0.00 N ATOM 1527 CA ILE A 94 -6.450 -1.286 12.402 1.00 0.00 C ATOM 1528 C ILE A 94 -7.876 -0.750 12.612 1.00 0.00 C ATOM 1529 O ILE A 94 -8.438 -0.140 11.711 1.00 0.00 O ATOM 1530 CB ILE A 94 -5.360 -0.158 12.554 1.00 0.00 C ATOM 1531 CG1 ILE A 94 -3.922 -0.756 12.419 1.00 0.00 C ATOM 1532 CG2 ILE A 94 -5.510 0.628 13.866 1.00 0.00 C ATOM 1533 CD1 ILE A 94 -3.542 -1.780 13.493 1.00 0.00 C ATOM 0 H ILE A 94 -6.002 -1.182 10.372 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.250 -2.040 13.163 1.00 0.00 H new ATOM 0 HB ILE A 94 -5.518 0.552 11.742 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.832 -1.228 11.441 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.201 0.061 12.447 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.736 1.393 13.922 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -6.491 1.102 13.896 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.410 -0.053 14.711 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -2.528 -2.136 13.313 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -3.594 -1.312 14.476 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -4.234 -2.621 13.455 1.00 0.00 H new