USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=12 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 Single : A 19 THR OG1 : rot -63:sc= 0.557 USER MOD Single : A 21 LYS NZ :NH3+ -167:sc=-0.00976 (180deg=-0.189) USER MOD Single : A 25 ASN : amide:sc= 0.611 K(o=0.61,f=0) USER MOD Single : A 26 ASN : amide:sc= -0.117 K(o=-0.12,f=-0.85!) USER MOD Single : A 27 TYR OH : rot 180:sc= -0.298 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0286) USER MOD Single : A 40 ASN : amide:sc= -0.0542 K(o=-0.054,f=-2!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot -142:sc= 0.563 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= 0.214 K(o=0.21,f=-4.2!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= -1.13 USER MOD Single : A 73 ASN : amide:sc= -0.319 X(o=-0.32,f=-0.52) USER MOD Single : A 76 THR OG1 : rot 83:sc= 0.988 USER MOD Single : A 78 GLN : amide:sc= -1.82 K(o=-1.8,f=-3.9!) USER MOD Single : A 79 GLN : amide:sc= -0.0444 K(o=-0.044,f=-1.8!) USER MOD Single : A 87 ASN : amide:sc= -2.24! K(o=-2.2!,f=-0.25) USER MOD Single : A 93 TYR OH : rot -92:sc= 0.319 USER MOD ----------------------------------------------------------------- ATOM 245 N ARG A 16 3.281 12.401 6.064 1.00 0.00 N ATOM 246 CA ARG A 16 3.152 13.188 4.826 1.00 0.00 C ATOM 247 C ARG A 16 2.023 12.542 4.002 1.00 0.00 C ATOM 248 O ARG A 16 2.118 11.358 3.651 1.00 0.00 O ATOM 249 CB ARG A 16 4.524 13.183 4.059 1.00 0.00 C ATOM 250 CG ARG A 16 4.754 14.294 2.983 1.00 0.00 C ATOM 251 CD ARG A 16 3.889 14.152 1.715 1.00 0.00 C ATOM 252 NE ARG A 16 4.230 15.166 0.688 1.00 0.00 N ATOM 253 CZ ARG A 16 3.345 15.910 -0.008 1.00 0.00 C ATOM 254 NH1 ARG A 16 2.041 15.781 0.185 1.00 0.00 N ATOM 255 NH2 ARG A 16 3.779 16.775 -0.911 1.00 0.00 N ATOM 0 HA ARG A 16 2.904 14.231 5.025 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.322 13.259 4.797 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.633 12.214 3.571 1.00 0.00 H new ATOM 0 HG2 ARG A 16 4.555 15.265 3.435 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.804 14.287 2.692 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.022 13.154 1.296 1.00 0.00 H new ATOM 0 HD3 ARG A 16 2.837 14.248 1.982 1.00 0.00 H new ATOM 0 HE ARG A 16 5.220 15.314 0.490 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.691 15.111 0.869 1.00 0.00 H new ATOM 0 HH12 ARG A 16 1.387 16.352 -0.351 1.00 0.00 H new ATOM 0 HH21 ARG A 16 4.780 16.878 -1.079 1.00 0.00 H new ATOM 0 HH22 ARG A 16 3.113 17.339 -1.439 1.00 0.00 H new ATOM 269 N GLU A 17 0.955 13.311 3.714 1.00 0.00 N ATOM 270 CA GLU A 17 -0.168 12.811 2.913 1.00 0.00 C ATOM 271 C GLU A 17 0.263 12.726 1.435 1.00 0.00 C ATOM 272 O GLU A 17 0.413 13.749 0.754 1.00 0.00 O ATOM 273 CB GLU A 17 -1.398 13.746 3.061 1.00 0.00 C ATOM 274 CG GLU A 17 -2.662 13.265 2.321 1.00 0.00 C ATOM 275 CD GLU A 17 -3.788 14.314 2.321 1.00 0.00 C ATOM 276 OE1 GLU A 17 -4.487 14.467 3.344 1.00 0.00 O ATOM 277 OE2 GLU A 17 -3.966 15.012 1.300 1.00 0.00 O ATOM 0 H GLU A 17 0.851 14.277 4.025 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.450 11.819 3.267 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.632 13.853 4.120 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.132 14.736 2.692 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.403 13.017 1.292 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.025 12.349 2.788 1.00 0.00 H new ATOM 284 N ILE A 18 0.461 11.496 0.966 1.00 0.00 N ATOM 285 CA ILE A 18 0.729 11.192 -0.435 1.00 0.00 C ATOM 286 C ILE A 18 -0.556 10.712 -1.122 1.00 0.00 C ATOM 287 O ILE A 18 -1.613 10.578 -0.486 1.00 0.00 O ATOM 288 CB ILE A 18 1.843 10.091 -0.586 1.00 0.00 C ATOM 289 CG1 ILE A 18 1.391 8.729 0.053 1.00 0.00 C ATOM 290 CG2 ILE A 18 3.188 10.593 0.000 1.00 0.00 C ATOM 291 CD1 ILE A 18 2.298 7.551 -0.245 1.00 0.00 C ATOM 0 H ILE A 18 0.439 10.668 1.561 1.00 0.00 H new ATOM 0 HA ILE A 18 1.085 12.107 -0.909 1.00 0.00 H new ATOM 0 HB ILE A 18 1.998 9.902 -1.648 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.327 8.855 1.134 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.387 8.494 -0.300 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.946 9.818 -0.113 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.504 11.491 -0.532 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.061 10.824 1.058 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.904 6.657 0.238 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.344 7.391 -1.322 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.299 7.757 0.134 1.00 0.00 H new ATOM 303 N THR A 19 -0.444 10.471 -2.427 1.00 0.00 N ATOM 304 CA THR A 19 -1.492 9.835 -3.228 1.00 0.00 C ATOM 305 C THR A 19 -1.092 8.377 -3.529 1.00 0.00 C ATOM 306 O THR A 19 0.028 7.954 -3.200 1.00 0.00 O ATOM 307 CB THR A 19 -1.705 10.630 -4.557 1.00 0.00 C ATOM 308 OG1 THR A 19 -0.521 10.553 -5.382 1.00 0.00 O ATOM 309 CG2 THR A 19 -2.042 12.106 -4.276 1.00 0.00 C ATOM 0 H THR A 19 0.387 10.714 -2.966 1.00 0.00 H new ATOM 0 HA THR A 19 -2.429 9.838 -2.671 1.00 0.00 H new ATOM 0 HB THR A 19 -2.545 10.178 -5.084 1.00 0.00 H new ATOM 0 HG1 THR A 19 0.228 10.983 -4.920 1.00 0.00 H new ATOM 0 HG21 THR A 19 -2.184 12.633 -5.220 1.00 0.00 H new ATOM 0 HG22 THR A 19 -2.957 12.164 -3.686 1.00 0.00 H new ATOM 0 HG23 THR A 19 -1.224 12.567 -3.723 1.00 0.00 H new ATOM 317 N TRP A 20 -2.035 7.614 -4.107 1.00 0.00 N ATOM 318 CA TRP A 20 -1.779 6.254 -4.626 1.00 0.00 C ATOM 319 C TRP A 20 -0.657 6.286 -5.691 1.00 0.00 C ATOM 320 O TRP A 20 0.176 5.375 -5.754 1.00 0.00 O ATOM 321 CB TRP A 20 -3.081 5.647 -5.215 1.00 0.00 C ATOM 322 CG TRP A 20 -2.935 4.235 -5.747 1.00 0.00 C ATOM 323 CD1 TRP A 20 -2.657 3.855 -7.032 1.00 0.00 C ATOM 324 CD2 TRP A 20 -3.064 3.025 -4.998 1.00 0.00 C ATOM 325 NE1 TRP A 20 -2.612 2.491 -7.121 1.00 0.00 N ATOM 326 CE2 TRP A 20 -2.856 1.958 -5.884 1.00 0.00 C ATOM 327 CE3 TRP A 20 -3.334 2.750 -3.664 1.00 0.00 C ATOM 328 CZ2 TRP A 20 -2.922 0.637 -5.474 1.00 0.00 C ATOM 329 CZ3 TRP A 20 -3.391 1.438 -3.254 1.00 0.00 C ATOM 330 CH2 TRP A 20 -3.182 0.393 -4.154 1.00 0.00 C ATOM 0 H TRP A 20 -3.000 7.921 -4.229 1.00 0.00 H new ATOM 0 HA TRP A 20 -1.449 5.621 -3.802 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -3.850 5.652 -4.443 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -3.434 6.290 -6.021 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -2.496 4.534 -7.856 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -2.427 1.958 -7.971 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -3.497 3.553 -2.960 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -2.773 -0.173 -6.173 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -3.601 1.214 -2.219 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -3.226 -0.627 -3.802 1.00 0.00 H new ATOM 341 N LYS A 21 -0.671 7.342 -6.528 1.00 0.00 N ATOM 342 CA LYS A 21 0.363 7.591 -7.551 1.00 0.00 C ATOM 343 C LYS A 21 1.779 7.639 -6.918 1.00 0.00 C ATOM 344 O LYS A 21 2.691 6.951 -7.394 1.00 0.00 O ATOM 345 CB LYS A 21 0.032 8.903 -8.331 1.00 0.00 C ATOM 346 CG LYS A 21 0.960 9.201 -9.524 1.00 0.00 C ATOM 347 CD LYS A 21 0.602 10.520 -10.255 1.00 0.00 C ATOM 348 CE LYS A 21 1.558 10.826 -11.414 1.00 0.00 C ATOM 349 NZ LYS A 21 2.953 10.989 -10.938 1.00 0.00 N ATOM 0 H LYS A 21 -1.405 8.050 -6.513 1.00 0.00 H new ATOM 0 HA LYS A 21 0.363 6.763 -8.260 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.994 8.843 -8.694 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.076 9.742 -7.637 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.990 9.256 -9.171 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.909 8.374 -10.232 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.417 10.456 -10.636 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.624 11.344 -9.542 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.514 10.020 -12.146 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.237 11.735 -11.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.531 11.407 -11.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.965 11.615 -10.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 3.342 10.060 -10.678 1.00 0.00 H new ATOM 363 N ASP A 22 1.937 8.418 -5.821 1.00 0.00 N ATOM 364 CA ASP A 22 3.214 8.495 -5.067 1.00 0.00 C ATOM 365 C ASP A 22 3.576 7.157 -4.418 1.00 0.00 C ATOM 366 O ASP A 22 4.738 6.736 -4.469 1.00 0.00 O ATOM 367 CB ASP A 22 3.153 9.572 -3.960 1.00 0.00 C ATOM 368 CG ASP A 22 2.974 10.987 -4.504 1.00 0.00 C ATOM 369 OD1 ASP A 22 3.878 11.474 -5.211 1.00 0.00 O ATOM 370 OD2 ASP A 22 1.943 11.633 -4.217 1.00 0.00 O ATOM 0 H ASP A 22 1.195 9.003 -5.437 1.00 0.00 H new ATOM 0 HA ASP A 22 3.979 8.760 -5.797 1.00 0.00 H new ATOM 0 HB2 ASP A 22 2.329 9.343 -3.285 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.069 9.530 -3.371 1.00 0.00 H new ATOM 375 N PHE A 23 2.567 6.522 -3.782 1.00 0.00 N ATOM 376 CA PHE A 23 2.716 5.215 -3.108 1.00 0.00 C ATOM 377 C PHE A 23 3.407 4.215 -4.039 1.00 0.00 C ATOM 378 O PHE A 23 4.465 3.698 -3.709 1.00 0.00 O ATOM 379 CB PHE A 23 1.331 4.656 -2.615 1.00 0.00 C ATOM 380 CG PHE A 23 1.327 3.142 -2.295 1.00 0.00 C ATOM 381 CD1 PHE A 23 2.213 2.604 -1.362 1.00 0.00 C ATOM 382 CD2 PHE A 23 0.464 2.271 -2.958 1.00 0.00 C ATOM 383 CE1 PHE A 23 2.246 1.250 -1.117 1.00 0.00 C ATOM 384 CE2 PHE A 23 0.490 0.916 -2.703 1.00 0.00 C ATOM 385 CZ PHE A 23 1.383 0.407 -1.784 1.00 0.00 C ATOM 0 H PHE A 23 1.623 6.904 -3.722 1.00 0.00 H new ATOM 0 HA PHE A 23 3.339 5.361 -2.226 1.00 0.00 H new ATOM 0 HB2 PHE A 23 1.029 5.204 -1.722 1.00 0.00 H new ATOM 0 HB3 PHE A 23 0.580 4.855 -3.380 1.00 0.00 H new ATOM 0 HD1 PHE A 23 2.883 3.259 -0.824 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -0.235 2.663 -3.682 1.00 0.00 H new ATOM 0 HE1 PHE A 23 2.948 0.848 -0.402 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -0.188 0.255 -3.222 1.00 0.00 H new ATOM 0 HZ PHE A 23 1.406 -0.654 -1.586 1.00 0.00 H new ATOM 395 N VAL A 24 2.811 4.002 -5.207 1.00 0.00 N ATOM 396 CA VAL A 24 3.261 2.993 -6.164 1.00 0.00 C ATOM 397 C VAL A 24 4.647 3.328 -6.740 1.00 0.00 C ATOM 398 O VAL A 24 5.582 2.538 -6.614 1.00 0.00 O ATOM 399 CB VAL A 24 2.211 2.836 -7.317 1.00 0.00 C ATOM 400 CG1 VAL A 24 2.683 1.849 -8.410 1.00 0.00 C ATOM 401 CG2 VAL A 24 0.843 2.424 -6.729 1.00 0.00 C ATOM 0 H VAL A 24 1.995 4.528 -5.520 1.00 0.00 H new ATOM 0 HA VAL A 24 3.351 2.047 -5.631 1.00 0.00 H new ATOM 0 HB VAL A 24 2.103 3.803 -7.809 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.921 1.774 -9.186 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.614 2.209 -8.848 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.847 0.867 -7.967 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.118 2.317 -7.536 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.944 1.475 -6.203 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.501 3.190 -6.033 1.00 0.00 H new ATOM 411 N ASN A 25 4.771 4.515 -7.334 1.00 0.00 N ATOM 412 CA ASN A 25 5.950 4.877 -8.144 1.00 0.00 C ATOM 413 C ASN A 25 7.184 5.221 -7.287 1.00 0.00 C ATOM 414 O ASN A 25 8.278 4.710 -7.558 1.00 0.00 O ATOM 415 CB ASN A 25 5.590 6.028 -9.108 1.00 0.00 C ATOM 416 CG ASN A 25 4.642 5.571 -10.226 1.00 0.00 C ATOM 417 OD1 ASN A 25 5.085 5.133 -11.287 1.00 0.00 O ATOM 418 ND2 ASN A 25 3.340 5.661 -9.994 1.00 0.00 N ATOM 0 H ASN A 25 4.068 5.251 -7.273 1.00 0.00 H new ATOM 0 HA ASN A 25 6.231 4.000 -8.727 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.124 6.838 -8.547 1.00 0.00 H new ATOM 0 HB3 ASN A 25 6.502 6.430 -9.549 1.00 0.00 H new ATOM 0 HD21 ASN A 25 2.673 5.362 -10.706 1.00 0.00 H new ATOM 0 HD22 ASN A 25 3.005 6.029 -9.104 1.00 0.00 H new ATOM 425 N ASN A 26 7.018 6.087 -6.270 1.00 0.00 N ATOM 426 CA ASN A 26 8.136 6.569 -5.420 1.00 0.00 C ATOM 427 C ASN A 26 8.574 5.494 -4.393 1.00 0.00 C ATOM 428 O ASN A 26 9.771 5.317 -4.152 1.00 0.00 O ATOM 429 CB ASN A 26 7.692 7.884 -4.691 1.00 0.00 C ATOM 430 CG ASN A 26 8.794 8.635 -3.897 1.00 0.00 C ATOM 431 OD1 ASN A 26 9.754 8.057 -3.389 1.00 0.00 O ATOM 432 ND2 ASN A 26 8.643 9.947 -3.761 1.00 0.00 N ATOM 0 H ASN A 26 6.111 6.474 -6.011 1.00 0.00 H new ATOM 0 HA ASN A 26 8.998 6.774 -6.055 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.282 8.566 -5.436 1.00 0.00 H new ATOM 0 HB3 ASN A 26 6.883 7.638 -4.004 1.00 0.00 H new ATOM 0 HD21 ASN A 26 9.327 10.487 -3.231 1.00 0.00 H new ATOM 0 HD22 ASN A 26 7.843 10.415 -4.187 1.00 0.00 H new ATOM 439 N TYR A 27 7.607 4.766 -3.804 1.00 0.00 N ATOM 440 CA TYR A 27 7.868 3.943 -2.602 1.00 0.00 C ATOM 441 C TYR A 27 7.838 2.432 -2.922 1.00 0.00 C ATOM 442 O TYR A 27 8.865 1.742 -2.818 1.00 0.00 O ATOM 443 CB TYR A 27 6.849 4.313 -1.484 1.00 0.00 C ATOM 444 CG TYR A 27 6.875 5.817 -1.121 1.00 0.00 C ATOM 445 CD1 TYR A 27 7.970 6.373 -0.459 1.00 0.00 C ATOM 446 CD2 TYR A 27 5.835 6.679 -1.481 1.00 0.00 C ATOM 447 CE1 TYR A 27 8.021 7.718 -0.163 1.00 0.00 C ATOM 448 CE2 TYR A 27 5.891 8.028 -1.193 1.00 0.00 C ATOM 449 CZ TYR A 27 6.983 8.537 -0.533 1.00 0.00 C ATOM 450 OH TYR A 27 7.038 9.875 -0.248 1.00 0.00 O ATOM 0 H TYR A 27 6.643 4.729 -4.136 1.00 0.00 H new ATOM 0 HA TYR A 27 8.875 4.161 -2.245 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.845 4.040 -1.809 1.00 0.00 H new ATOM 0 HB3 TYR A 27 7.066 3.725 -0.592 1.00 0.00 H new ATOM 0 HD1 TYR A 27 8.794 5.737 -0.173 1.00 0.00 H new ATOM 0 HD2 TYR A 27 4.971 6.282 -1.994 1.00 0.00 H new ATOM 0 HE1 TYR A 27 8.874 8.126 0.358 1.00 0.00 H new ATOM 0 HE2 TYR A 27 5.081 8.680 -1.485 1.00 0.00 H new ATOM 0 HH TYR A 27 6.226 10.313 -0.578 1.00 0.00 H new ATOM 460 N LEU A 28 6.649 1.941 -3.305 1.00 0.00 N ATOM 461 CA LEU A 28 6.381 0.510 -3.511 1.00 0.00 C ATOM 462 C LEU A 28 7.319 -0.102 -4.562 1.00 0.00 C ATOM 463 O LEU A 28 7.858 -1.183 -4.345 1.00 0.00 O ATOM 464 CB LEU A 28 4.899 0.261 -3.903 1.00 0.00 C ATOM 465 CG LEU A 28 4.507 -1.243 -4.083 1.00 0.00 C ATOM 466 CD1 LEU A 28 4.736 -2.054 -2.785 1.00 0.00 C ATOM 467 CD2 LEU A 28 3.063 -1.397 -4.598 1.00 0.00 C ATOM 0 H LEU A 28 5.838 2.534 -3.482 1.00 0.00 H new ATOM 0 HA LEU A 28 6.574 0.015 -2.559 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.258 0.699 -3.138 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.691 0.789 -4.834 1.00 0.00 H new ATOM 0 HG LEU A 28 5.169 -1.657 -4.844 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.452 -3.093 -2.950 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.789 -2.005 -2.506 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.129 -1.635 -1.982 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.828 -2.455 -4.710 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.373 -0.945 -3.886 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.966 -0.899 -5.563 1.00 0.00 H new ATOM 479 N SER A 29 7.508 0.612 -5.678 1.00 0.00 N ATOM 480 CA SER A 29 8.359 0.182 -6.803 1.00 0.00 C ATOM 481 C SER A 29 9.816 -0.094 -6.369 1.00 0.00 C ATOM 482 O SER A 29 10.485 -0.962 -6.934 1.00 0.00 O ATOM 483 CB SER A 29 8.315 1.273 -7.899 1.00 0.00 C ATOM 484 OG SER A 29 9.086 0.920 -9.029 1.00 0.00 O ATOM 0 H SER A 29 7.069 1.520 -5.831 1.00 0.00 H new ATOM 0 HA SER A 29 7.970 -0.760 -7.189 1.00 0.00 H new ATOM 0 HB2 SER A 29 7.282 1.440 -8.203 1.00 0.00 H new ATOM 0 HB3 SER A 29 8.682 2.214 -7.489 1.00 0.00 H new ATOM 0 HG SER A 29 9.031 1.634 -9.698 1.00 0.00 H new ATOM 490 N LYS A 30 10.272 0.634 -5.332 1.00 0.00 N ATOM 491 CA LYS A 30 11.665 0.572 -4.824 1.00 0.00 C ATOM 492 C LYS A 30 11.794 -0.477 -3.695 1.00 0.00 C ATOM 493 O LYS A 30 12.890 -0.677 -3.157 1.00 0.00 O ATOM 494 CB LYS A 30 12.120 1.977 -4.309 1.00 0.00 C ATOM 495 CG LYS A 30 12.418 3.041 -5.401 1.00 0.00 C ATOM 496 CD LYS A 30 11.195 3.411 -6.266 1.00 0.00 C ATOM 497 CE LYS A 30 11.491 4.524 -7.278 1.00 0.00 C ATOM 498 NZ LYS A 30 12.538 4.134 -8.248 1.00 0.00 N ATOM 0 H LYS A 30 9.683 1.288 -4.816 1.00 0.00 H new ATOM 0 HA LYS A 30 12.313 0.271 -5.647 1.00 0.00 H new ATOM 0 HB2 LYS A 30 11.345 2.369 -3.651 1.00 0.00 H new ATOM 0 HB3 LYS A 30 13.017 1.847 -3.703 1.00 0.00 H new ATOM 0 HG2 LYS A 30 12.797 3.943 -4.921 1.00 0.00 H new ATOM 0 HG3 LYS A 30 13.210 2.668 -6.050 1.00 0.00 H new ATOM 0 HD2 LYS A 30 10.853 2.524 -6.799 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.379 3.727 -5.616 1.00 0.00 H new ATOM 0 HE2 LYS A 30 10.577 4.777 -7.815 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.807 5.421 -6.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.657 4.889 -8.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.437 3.983 -7.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.257 3.255 -8.727 1.00 0.00 H new ATOM 512 N GLY A 31 10.673 -1.160 -3.374 1.00 0.00 N ATOM 513 CA GLY A 31 10.615 -2.154 -2.293 1.00 0.00 C ATOM 514 C GLY A 31 10.949 -1.599 -0.901 1.00 0.00 C ATOM 515 O GLY A 31 11.373 -2.357 -0.017 1.00 0.00 O ATOM 0 H GLY A 31 9.786 -1.034 -3.861 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.615 -2.587 -2.268 1.00 0.00 H new ATOM 0 HA3 GLY A 31 11.307 -2.964 -2.523 1.00 0.00 H new ATOM 519 N VAL A 32 10.740 -0.279 -0.694 1.00 0.00 N ATOM 520 CA VAL A 32 11.034 0.383 0.602 1.00 0.00 C ATOM 521 C VAL A 32 9.834 0.253 1.563 1.00 0.00 C ATOM 522 O VAL A 32 9.904 0.707 2.701 1.00 0.00 O ATOM 523 CB VAL A 32 11.436 1.905 0.429 1.00 0.00 C ATOM 524 CG1 VAL A 32 12.637 2.057 -0.534 1.00 0.00 C ATOM 525 CG2 VAL A 32 10.237 2.775 -0.020 1.00 0.00 C ATOM 0 H VAL A 32 10.369 0.350 -1.406 1.00 0.00 H new ATOM 0 HA VAL A 32 11.895 -0.131 1.030 1.00 0.00 H new ATOM 0 HB VAL A 32 11.743 2.272 1.408 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.892 3.112 -0.634 1.00 0.00 H new ATOM 0 HG12 VAL A 32 13.494 1.513 -0.136 1.00 0.00 H new ATOM 0 HG13 VAL A 32 12.373 1.653 -1.511 1.00 0.00 H new ATOM 0 HG21 VAL A 32 10.559 3.811 -0.126 1.00 0.00 H new ATOM 0 HG22 VAL A 32 9.862 2.412 -0.977 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.445 2.716 0.726 1.00 0.00 H new ATOM 535 N VAL A 33 8.738 -0.375 1.082 1.00 0.00 N ATOM 536 CA VAL A 33 7.500 -0.582 1.859 1.00 0.00 C ATOM 537 C VAL A 33 7.545 -1.963 2.535 1.00 0.00 C ATOM 538 O VAL A 33 7.681 -2.991 1.859 1.00 0.00 O ATOM 539 CB VAL A 33 6.210 -0.482 0.949 1.00 0.00 C ATOM 540 CG1 VAL A 33 4.897 -0.598 1.772 1.00 0.00 C ATOM 541 CG2 VAL A 33 6.235 0.814 0.112 1.00 0.00 C ATOM 0 H VAL A 33 8.690 -0.754 0.136 1.00 0.00 H new ATOM 0 HA VAL A 33 7.441 0.206 2.610 1.00 0.00 H new ATOM 0 HB VAL A 33 6.226 -1.333 0.268 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.040 -0.523 1.102 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.873 -1.559 2.286 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.855 0.207 2.506 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.339 0.864 -0.507 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.265 1.677 0.778 1.00 0.00 H new ATOM 0 HG23 VAL A 33 7.118 0.818 -0.527 1.00 0.00 H new ATOM 551 N ASP A 34 7.428 -1.960 3.870 1.00 0.00 N ATOM 552 CA ASP A 34 7.351 -3.173 4.695 1.00 0.00 C ATOM 553 C ASP A 34 5.911 -3.703 4.699 1.00 0.00 C ATOM 554 O ASP A 34 5.671 -4.861 4.380 1.00 0.00 O ATOM 555 CB ASP A 34 7.809 -2.833 6.138 1.00 0.00 C ATOM 556 CG ASP A 34 7.592 -3.954 7.162 1.00 0.00 C ATOM 557 OD1 ASP A 34 8.390 -4.912 7.198 1.00 0.00 O ATOM 558 OD2 ASP A 34 6.620 -3.888 7.933 1.00 0.00 O ATOM 0 H ASP A 34 7.383 -1.100 4.416 1.00 0.00 H new ATOM 0 HA ASP A 34 8.003 -3.945 4.286 1.00 0.00 H new ATOM 0 HB2 ASP A 34 8.869 -2.579 6.117 1.00 0.00 H new ATOM 0 HB3 ASP A 34 7.275 -1.944 6.474 1.00 0.00 H new ATOM 563 N ARG A 35 4.958 -2.807 5.034 1.00 0.00 N ATOM 564 CA ARG A 35 3.536 -3.161 5.231 1.00 0.00 C ATOM 565 C ARG A 35 2.632 -1.937 4.990 1.00 0.00 C ATOM 566 O ARG A 35 3.116 -0.803 4.890 1.00 0.00 O ATOM 567 CB ARG A 35 3.302 -3.745 6.666 1.00 0.00 C ATOM 568 CG ARG A 35 3.476 -2.731 7.817 1.00 0.00 C ATOM 569 CD ARG A 35 3.382 -3.343 9.232 1.00 0.00 C ATOM 570 NE ARG A 35 3.585 -2.298 10.257 1.00 0.00 N ATOM 571 CZ ARG A 35 3.940 -2.496 11.532 1.00 0.00 C ATOM 572 NH1 ARG A 35 4.171 -3.713 12.012 1.00 0.00 N ATOM 573 NH2 ARG A 35 4.050 -1.448 12.329 1.00 0.00 N ATOM 0 H ARG A 35 5.154 -1.816 5.176 1.00 0.00 H new ATOM 0 HA ARG A 35 3.274 -3.929 4.503 1.00 0.00 H new ATOM 0 HB2 ARG A 35 2.294 -4.158 6.714 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.994 -4.573 6.823 1.00 0.00 H new ATOM 0 HG2 ARG A 35 4.445 -2.243 7.710 1.00 0.00 H new ATOM 0 HG3 ARG A 35 2.716 -1.956 7.719 1.00 0.00 H new ATOM 0 HD2 ARG A 35 2.408 -3.812 9.369 1.00 0.00 H new ATOM 0 HD3 ARG A 35 4.132 -4.126 9.348 1.00 0.00 H new ATOM 0 HE ARG A 35 3.440 -1.332 9.964 1.00 0.00 H new ATOM 0 HH11 ARG A 35 4.079 -4.527 11.404 1.00 0.00 H new ATOM 0 HH12 ARG A 35 4.440 -3.833 12.988 1.00 0.00 H new ATOM 0 HH21 ARG A 35 3.866 -0.512 11.969 1.00 0.00 H new ATOM 0 HH22 ARG A 35 4.319 -1.575 13.305 1.00 0.00 H new ATOM 587 N LEU A 36 1.315 -2.193 4.855 1.00 0.00 N ATOM 588 CA LEU A 36 0.281 -1.147 4.720 1.00 0.00 C ATOM 589 C LEU A 36 -0.724 -1.233 5.880 1.00 0.00 C ATOM 590 O LEU A 36 -1.539 -2.152 5.930 1.00 0.00 O ATOM 591 CB LEU A 36 -0.438 -1.293 3.355 1.00 0.00 C ATOM 592 CG LEU A 36 0.423 -0.945 2.107 1.00 0.00 C ATOM 593 CD1 LEU A 36 -0.357 -1.212 0.806 1.00 0.00 C ATOM 594 CD2 LEU A 36 0.950 0.511 2.181 1.00 0.00 C ATOM 0 H LEU A 36 0.936 -3.140 4.836 1.00 0.00 H new ATOM 0 HA LEU A 36 0.758 -0.168 4.760 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.791 -2.320 3.257 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.320 -0.652 3.357 1.00 0.00 H new ATOM 0 HG LEU A 36 1.294 -1.601 2.101 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.268 -0.960 -0.051 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.633 -2.265 0.757 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.258 -0.599 0.790 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.548 0.727 1.296 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.107 1.201 2.226 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.565 0.630 3.073 1.00 0.00 H new ATOM 606 N GLU A 37 -0.648 -0.270 6.813 1.00 0.00 N ATOM 607 CA GLU A 37 -1.518 -0.224 8.003 1.00 0.00 C ATOM 608 C GLU A 37 -2.749 0.672 7.732 1.00 0.00 C ATOM 609 O GLU A 37 -2.657 1.897 7.800 1.00 0.00 O ATOM 610 CB GLU A 37 -0.707 0.300 9.217 1.00 0.00 C ATOM 611 CG GLU A 37 0.543 -0.529 9.565 1.00 0.00 C ATOM 612 CD GLU A 37 1.238 -0.039 10.846 1.00 0.00 C ATOM 613 OE1 GLU A 37 0.682 -0.234 11.940 1.00 0.00 O ATOM 614 OE2 GLU A 37 2.356 0.519 10.771 1.00 0.00 O ATOM 0 H GLU A 37 0.019 0.500 6.765 1.00 0.00 H new ATOM 0 HA GLU A 37 -1.877 -1.228 8.229 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.400 1.326 9.015 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.361 0.328 10.088 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.259 -1.574 9.687 1.00 0.00 H new ATOM 0 HG3 GLU A 37 1.247 -0.485 8.734 1.00 0.00 H new ATOM 621 N VAL A 38 -3.909 0.040 7.454 1.00 0.00 N ATOM 622 CA VAL A 38 -5.144 0.746 7.078 1.00 0.00 C ATOM 623 C VAL A 38 -5.837 1.224 8.378 1.00 0.00 C ATOM 624 O VAL A 38 -6.647 0.505 8.963 1.00 0.00 O ATOM 625 CB VAL A 38 -6.100 -0.194 6.241 1.00 0.00 C ATOM 626 CG1 VAL A 38 -7.315 0.582 5.688 1.00 0.00 C ATOM 627 CG2 VAL A 38 -5.325 -0.919 5.115 1.00 0.00 C ATOM 0 H VAL A 38 -4.012 -0.974 7.485 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.906 1.602 6.446 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.487 -0.957 6.916 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.951 -0.096 5.118 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.885 1.004 6.516 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.968 1.386 5.039 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.008 -1.558 4.556 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.886 -0.182 4.443 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.534 -1.528 5.552 1.00 0.00 H new ATOM 637 N VAL A 39 -5.484 2.443 8.811 1.00 0.00 N ATOM 638 CA VAL A 39 -5.842 2.989 10.124 1.00 0.00 C ATOM 639 C VAL A 39 -7.325 3.382 10.169 1.00 0.00 C ATOM 640 O VAL A 39 -7.752 4.274 9.427 1.00 0.00 O ATOM 641 CB VAL A 39 -4.951 4.241 10.445 1.00 0.00 C ATOM 642 CG1 VAL A 39 -5.317 4.884 11.801 1.00 0.00 C ATOM 643 CG2 VAL A 39 -3.441 3.887 10.355 1.00 0.00 C ATOM 0 H VAL A 39 -4.931 3.088 8.246 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.667 2.217 10.874 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.158 4.994 9.684 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.674 5.746 11.980 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.358 5.205 11.782 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.177 4.155 12.599 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.846 4.772 10.582 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.209 3.100 11.072 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.208 3.541 9.348 1.00 0.00 H new ATOM 653 N ASN A 40 -8.089 2.699 11.052 1.00 0.00 N ATOM 654 CA ASN A 40 -9.537 2.946 11.284 1.00 0.00 C ATOM 655 C ASN A 40 -10.363 2.843 9.992 1.00 0.00 C ATOM 656 O ASN A 40 -11.506 3.314 9.935 1.00 0.00 O ATOM 657 CB ASN A 40 -9.764 4.301 12.024 1.00 0.00 C ATOM 658 CG ASN A 40 -9.216 4.305 13.462 1.00 0.00 C ATOM 659 OD1 ASN A 40 -8.238 3.620 13.771 1.00 0.00 O ATOM 660 ND2 ASN A 40 -9.845 5.064 14.360 1.00 0.00 N ATOM 0 H ASN A 40 -7.715 1.949 11.633 1.00 0.00 H new ATOM 0 HA ASN A 40 -9.900 2.152 11.937 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -9.287 5.101 11.458 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -10.831 4.520 12.048 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -9.519 5.087 15.326 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -10.652 5.622 14.081 1.00 0.00 H new ATOM 667 N LYS A 41 -9.782 2.132 9.001 1.00 0.00 N ATOM 668 CA LYS A 41 -10.297 1.985 7.628 1.00 0.00 C ATOM 669 C LYS A 41 -10.397 3.326 6.837 1.00 0.00 C ATOM 670 O LYS A 41 -10.798 3.315 5.666 1.00 0.00 O ATOM 671 CB LYS A 41 -11.650 1.228 7.642 1.00 0.00 C ATOM 672 CG LYS A 41 -11.624 -0.147 8.346 1.00 0.00 C ATOM 673 CD LYS A 41 -13.033 -0.763 8.440 1.00 0.00 C ATOM 674 CE LYS A 41 -13.054 -2.047 9.264 1.00 0.00 C ATOM 675 NZ LYS A 41 -14.425 -2.605 9.369 1.00 0.00 N ATOM 0 H LYS A 41 -8.908 1.626 9.144 1.00 0.00 H new ATOM 0 HA LYS A 41 -9.560 1.394 7.084 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -12.395 1.856 8.132 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -11.980 1.086 6.613 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -10.966 -0.823 7.800 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -11.207 -0.036 9.347 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -13.714 -0.038 8.885 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -13.402 -0.973 7.436 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -12.394 -2.784 8.807 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.665 -1.846 10.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -14.402 -3.477 9.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -15.048 -1.910 9.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -14.786 -2.819 8.418 1.00 0.00 H new ATOM 689 N ARG A 42 -9.969 4.454 7.457 1.00 0.00 N ATOM 690 CA ARG A 42 -10.120 5.814 6.892 1.00 0.00 C ATOM 691 C ARG A 42 -9.035 6.092 5.850 1.00 0.00 C ATOM 692 O ARG A 42 -9.294 6.684 4.790 1.00 0.00 O ATOM 693 CB ARG A 42 -10.046 6.888 8.016 1.00 0.00 C ATOM 694 CG ARG A 42 -11.063 6.727 9.166 1.00 0.00 C ATOM 695 CD ARG A 42 -12.490 6.431 8.675 1.00 0.00 C ATOM 696 NE ARG A 42 -12.982 7.413 7.691 1.00 0.00 N ATOM 697 CZ ARG A 42 -13.956 7.181 6.788 1.00 0.00 C ATOM 698 NH1 ARG A 42 -14.584 6.006 6.744 1.00 0.00 N ATOM 699 NH2 ARG A 42 -14.291 8.134 5.928 1.00 0.00 N ATOM 0 H ARG A 42 -9.508 4.443 8.367 1.00 0.00 H new ATOM 0 HA ARG A 42 -11.097 5.867 6.411 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -9.042 6.875 8.440 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -10.189 7.870 7.565 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -10.736 5.919 9.821 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -11.073 7.638 9.764 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -12.515 5.436 8.230 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -13.165 6.414 9.530 1.00 0.00 H new ATOM 0 HE ARG A 42 -12.553 8.338 7.694 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -14.330 5.267 7.399 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -15.319 5.846 6.055 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -13.813 9.035 5.953 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -15.027 7.966 5.242 1.00 0.00 H new ATOM 713 N PHE A 43 -7.833 5.631 6.165 1.00 0.00 N ATOM 714 CA PHE A 43 -6.633 5.875 5.372 1.00 0.00 C ATOM 715 C PHE A 43 -5.644 4.740 5.605 1.00 0.00 C ATOM 716 O PHE A 43 -5.794 3.959 6.541 1.00 0.00 O ATOM 717 CB PHE A 43 -5.996 7.258 5.710 1.00 0.00 C ATOM 718 CG PHE A 43 -5.524 7.451 7.162 1.00 0.00 C ATOM 719 CD1 PHE A 43 -6.431 7.767 8.170 1.00 0.00 C ATOM 720 CD2 PHE A 43 -4.174 7.337 7.505 1.00 0.00 C ATOM 721 CE1 PHE A 43 -6.009 7.959 9.471 1.00 0.00 C ATOM 722 CE2 PHE A 43 -3.753 7.533 8.805 1.00 0.00 C ATOM 723 CZ PHE A 43 -4.669 7.844 9.789 1.00 0.00 C ATOM 0 H PHE A 43 -7.659 5.065 6.996 1.00 0.00 H new ATOM 0 HA PHE A 43 -6.905 5.905 4.317 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -5.143 7.413 5.049 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -6.724 8.036 5.480 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -7.480 7.863 7.931 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -3.450 7.092 6.742 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -6.727 8.199 10.241 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -2.706 7.443 9.052 1.00 0.00 H new ATOM 0 HZ PHE A 43 -4.339 7.997 10.806 1.00 0.00 H new ATOM 733 N VAL A 44 -4.629 4.675 4.749 1.00 0.00 N ATOM 734 CA VAL A 44 -3.631 3.607 4.755 1.00 0.00 C ATOM 735 C VAL A 44 -2.258 4.233 4.981 1.00 0.00 C ATOM 736 O VAL A 44 -1.904 5.197 4.294 1.00 0.00 O ATOM 737 CB VAL A 44 -3.630 2.816 3.393 1.00 0.00 C ATOM 738 CG1 VAL A 44 -2.612 1.653 3.423 1.00 0.00 C ATOM 739 CG2 VAL A 44 -5.050 2.321 3.029 1.00 0.00 C ATOM 0 H VAL A 44 -4.473 5.372 4.021 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.871 2.902 5.551 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.316 3.505 2.609 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.634 1.125 2.469 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.611 2.050 3.595 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.872 0.963 4.226 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.015 1.779 2.084 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.417 1.659 3.814 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.720 3.176 2.933 1.00 0.00 H new ATOM 749 N ARG A 45 -1.494 3.676 5.928 1.00 0.00 N ATOM 750 CA ARG A 45 -0.119 4.094 6.199 1.00 0.00 C ATOM 751 C ARG A 45 0.806 3.238 5.341 1.00 0.00 C ATOM 752 O ARG A 45 0.709 2.009 5.360 1.00 0.00 O ATOM 753 CB ARG A 45 0.257 3.911 7.700 1.00 0.00 C ATOM 754 CG ARG A 45 1.764 4.152 8.006 1.00 0.00 C ATOM 755 CD ARG A 45 2.183 3.730 9.426 1.00 0.00 C ATOM 756 NE ARG A 45 1.678 4.639 10.464 1.00 0.00 N ATOM 757 CZ ARG A 45 1.523 4.319 11.755 1.00 0.00 C ATOM 758 NH1 ARG A 45 1.831 3.100 12.194 1.00 0.00 N ATOM 759 NH2 ARG A 45 1.112 5.250 12.610 1.00 0.00 N ATOM 0 H ARG A 45 -1.817 2.918 6.530 1.00 0.00 H new ATOM 0 HA ARG A 45 -0.018 5.153 5.963 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -0.340 4.598 8.300 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.010 2.901 8.011 1.00 0.00 H new ATOM 0 HG2 ARG A 45 2.365 3.603 7.281 1.00 0.00 H new ATOM 0 HG3 ARG A 45 1.988 5.210 7.870 1.00 0.00 H new ATOM 0 HD2 ARG A 45 1.817 2.722 9.623 1.00 0.00 H new ATOM 0 HD3 ARG A 45 3.271 3.691 9.482 1.00 0.00 H new ATOM 0 HE ARG A 45 1.426 5.586 10.180 1.00 0.00 H new ATOM 0 HH11 ARG A 45 2.189 2.399 11.545 1.00 0.00 H new ATOM 0 HH12 ARG A 45 1.709 2.867 13.180 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.919 6.196 12.280 1.00 0.00 H new ATOM 0 HH22 ARG A 45 0.990 5.019 13.596 1.00 0.00 H new ATOM 773 N VAL A 46 1.682 3.906 4.598 1.00 0.00 N ATOM 774 CA VAL A 46 2.821 3.258 3.963 1.00 0.00 C ATOM 775 C VAL A 46 3.915 3.181 5.032 1.00 0.00 C ATOM 776 O VAL A 46 4.518 4.199 5.408 1.00 0.00 O ATOM 777 CB VAL A 46 3.321 4.055 2.702 1.00 0.00 C ATOM 778 CG1 VAL A 46 4.470 3.323 1.970 1.00 0.00 C ATOM 779 CG2 VAL A 46 2.145 4.374 1.747 1.00 0.00 C ATOM 0 H VAL A 46 1.622 4.909 4.420 1.00 0.00 H new ATOM 0 HA VAL A 46 2.547 2.268 3.598 1.00 0.00 H new ATOM 0 HB VAL A 46 3.730 5.002 3.055 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.783 3.910 1.106 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.313 3.199 2.649 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.124 2.344 1.638 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.517 4.925 0.883 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.685 3.444 1.413 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.404 4.978 2.271 1.00 0.00 H new ATOM 789 N THR A 47 4.115 1.971 5.556 1.00 0.00 N ATOM 790 CA THR A 47 5.128 1.694 6.571 1.00 0.00 C ATOM 791 C THR A 47 6.372 1.205 5.844 1.00 0.00 C ATOM 792 O THR A 47 6.273 0.330 4.984 1.00 0.00 O ATOM 793 CB THR A 47 4.624 0.604 7.568 1.00 0.00 C ATOM 794 OG1 THR A 47 3.324 0.968 8.064 1.00 0.00 O ATOM 795 CG2 THR A 47 5.585 0.369 8.755 1.00 0.00 C ATOM 0 H THR A 47 3.573 1.150 5.285 1.00 0.00 H new ATOM 0 HA THR A 47 5.343 2.593 7.149 1.00 0.00 H new ATOM 0 HB THR A 47 4.576 -0.333 7.012 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.254 0.721 9.010 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.174 -0.400 9.409 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.556 0.045 8.379 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.704 1.296 9.316 1.00 0.00 H new ATOM 803 N PHE A 48 7.512 1.797 6.172 1.00 0.00 N ATOM 804 CA PHE A 48 8.784 1.506 5.506 1.00 0.00 C ATOM 805 C PHE A 48 9.497 0.331 6.172 1.00 0.00 C ATOM 806 O PHE A 48 9.245 0.027 7.340 1.00 0.00 O ATOM 807 CB PHE A 48 9.680 2.757 5.528 1.00 0.00 C ATOM 808 CG PHE A 48 9.085 3.960 4.795 1.00 0.00 C ATOM 809 CD1 PHE A 48 8.168 4.802 5.428 1.00 0.00 C ATOM 810 CD2 PHE A 48 9.431 4.245 3.480 1.00 0.00 C ATOM 811 CE1 PHE A 48 7.625 5.885 4.771 1.00 0.00 C ATOM 812 CE2 PHE A 48 8.883 5.328 2.820 1.00 0.00 C ATOM 813 CZ PHE A 48 7.984 6.150 3.466 1.00 0.00 C ATOM 0 H PHE A 48 7.586 2.497 6.910 1.00 0.00 H new ATOM 0 HA PHE A 48 8.577 1.229 4.472 1.00 0.00 H new ATOM 0 HB2 PHE A 48 9.873 3.035 6.564 1.00 0.00 H new ATOM 0 HB3 PHE A 48 10.642 2.510 5.079 1.00 0.00 H new ATOM 0 HD1 PHE A 48 7.880 4.601 6.449 1.00 0.00 H new ATOM 0 HD2 PHE A 48 10.138 3.611 2.966 1.00 0.00 H new ATOM 0 HE1 PHE A 48 6.919 6.526 5.278 1.00 0.00 H new ATOM 0 HE2 PHE A 48 9.159 5.531 1.796 1.00 0.00 H new ATOM 0 HZ PHE A 48 7.562 7.000 2.951 1.00 0.00 H new ATOM 823 N THR A 49 10.383 -0.327 5.406 1.00 0.00 N ATOM 824 CA THR A 49 11.256 -1.402 5.904 1.00 0.00 C ATOM 825 C THR A 49 12.213 -0.829 6.985 1.00 0.00 C ATOM 826 O THR A 49 12.676 0.293 6.816 1.00 0.00 O ATOM 827 CB THR A 49 12.048 -2.041 4.713 1.00 0.00 C ATOM 828 OG1 THR A 49 12.799 -1.032 4.029 1.00 0.00 O ATOM 829 CG2 THR A 49 11.111 -2.717 3.702 1.00 0.00 C ATOM 0 H THR A 49 10.514 -0.125 4.415 1.00 0.00 H new ATOM 0 HA THR A 49 10.655 -2.188 6.362 1.00 0.00 H new ATOM 0 HB THR A 49 12.712 -2.796 5.135 1.00 0.00 H new ATOM 0 HG1 THR A 49 13.293 -1.439 3.287 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.700 -3.148 2.892 1.00 0.00 H new ATOM 0 HG22 THR A 49 10.547 -3.506 4.200 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.420 -1.978 3.296 1.00 0.00 H new ATOM 960 N TYR A 59 6.088 8.800 8.622 1.00 0.00 N ATOM 961 CA TYR A 59 5.743 7.910 7.503 1.00 0.00 C ATOM 962 C TYR A 59 4.962 8.705 6.447 1.00 0.00 C ATOM 963 O TYR A 59 4.662 9.885 6.635 1.00 0.00 O ATOM 964 CB TYR A 59 4.888 6.712 7.995 1.00 0.00 C ATOM 965 CG TYR A 59 5.594 5.801 9.019 1.00 0.00 C ATOM 966 CD1 TYR A 59 5.593 6.107 10.380 1.00 0.00 C ATOM 967 CD2 TYR A 59 6.247 4.633 8.623 1.00 0.00 C ATOM 968 CE1 TYR A 59 6.213 5.290 11.300 1.00 0.00 C ATOM 969 CE2 TYR A 59 6.866 3.811 9.545 1.00 0.00 C ATOM 970 CZ TYR A 59 6.843 4.144 10.880 1.00 0.00 C ATOM 971 OH TYR A 59 7.447 3.331 11.807 1.00 0.00 O ATOM 0 HA TYR A 59 6.663 7.519 7.068 1.00 0.00 H new ATOM 0 HB2 TYR A 59 3.970 7.096 8.441 1.00 0.00 H new ATOM 0 HB3 TYR A 59 4.597 6.111 7.133 1.00 0.00 H new ATOM 0 HD1 TYR A 59 5.096 7.003 10.720 1.00 0.00 H new ATOM 0 HD2 TYR A 59 6.269 4.367 7.577 1.00 0.00 H new ATOM 0 HE1 TYR A 59 6.204 5.550 12.348 1.00 0.00 H new ATOM 0 HE2 TYR A 59 7.366 2.911 9.219 1.00 0.00 H new ATOM 0 HH TYR A 59 7.848 2.560 11.354 1.00 0.00 H new ATOM 981 N VAL A 60 4.658 8.064 5.331 1.00 0.00 N ATOM 982 CA VAL A 60 3.762 8.622 4.321 1.00 0.00 C ATOM 983 C VAL A 60 2.460 7.795 4.319 1.00 0.00 C ATOM 984 O VAL A 60 2.468 6.629 4.720 1.00 0.00 O ATOM 985 CB VAL A 60 4.454 8.679 2.912 1.00 0.00 C ATOM 986 CG1 VAL A 60 5.696 9.609 2.938 1.00 0.00 C ATOM 987 CG2 VAL A 60 4.821 7.272 2.408 1.00 0.00 C ATOM 0 H VAL A 60 5.023 7.141 5.096 1.00 0.00 H new ATOM 0 HA VAL A 60 3.516 9.656 4.564 1.00 0.00 H new ATOM 0 HB VAL A 60 3.736 9.101 2.208 1.00 0.00 H new ATOM 0 HG11 VAL A 60 6.156 9.630 1.950 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.390 10.617 3.217 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.416 9.234 3.665 1.00 0.00 H new ATOM 0 HG21 VAL A 60 5.298 7.348 1.431 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.508 6.801 3.111 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.917 6.668 2.325 1.00 0.00 H new ATOM 997 N TRP A 61 1.340 8.421 3.921 1.00 0.00 N ATOM 998 CA TRP A 61 0.005 7.792 3.984 1.00 0.00 C ATOM 999 C TRP A 61 -0.931 8.399 2.928 1.00 0.00 C ATOM 1000 O TRP A 61 -0.758 9.549 2.530 1.00 0.00 O ATOM 1001 CB TRP A 61 -0.623 7.946 5.404 1.00 0.00 C ATOM 1002 CG TRP A 61 -0.911 9.375 5.824 1.00 0.00 C ATOM 1003 CD1 TRP A 61 -0.051 10.241 6.439 1.00 0.00 C ATOM 1004 CD2 TRP A 61 -2.149 10.096 5.656 1.00 0.00 C ATOM 1005 NE1 TRP A 61 -0.670 11.447 6.648 1.00 0.00 N ATOM 1006 CE2 TRP A 61 -1.956 11.380 6.178 1.00 0.00 C ATOM 1007 CE3 TRP A 61 -3.393 9.774 5.103 1.00 0.00 C ATOM 1008 CZ2 TRP A 61 -2.963 12.345 6.170 1.00 0.00 C ATOM 1009 CZ3 TRP A 61 -4.394 10.726 5.097 1.00 0.00 C ATOM 1010 CH2 TRP A 61 -4.173 12.000 5.628 1.00 0.00 C ATOM 0 H TRP A 61 1.331 9.371 3.549 1.00 0.00 H new ATOM 0 HA TRP A 61 0.130 6.729 3.776 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -1.553 7.379 5.437 1.00 0.00 H new ATOM 0 HB3 TRP A 61 0.051 7.497 6.134 1.00 0.00 H new ATOM 0 HD1 TRP A 61 0.966 10.010 6.719 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -0.242 12.264 7.084 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -3.569 8.793 4.686 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -2.795 13.331 6.577 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -5.359 10.483 4.677 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -4.972 12.727 5.611 1.00 0.00 H new ATOM 1021 N PHE A 62 -1.963 7.636 2.542 1.00 0.00 N ATOM 1022 CA PHE A 62 -2.935 8.050 1.524 1.00 0.00 C ATOM 1023 C PHE A 62 -4.346 7.617 1.962 1.00 0.00 C ATOM 1024 O PHE A 62 -4.528 6.527 2.505 1.00 0.00 O ATOM 1025 CB PHE A 62 -2.551 7.463 0.130 1.00 0.00 C ATOM 1026 CG PHE A 62 -2.428 5.930 0.069 1.00 0.00 C ATOM 1027 CD1 PHE A 62 -1.238 5.292 0.414 1.00 0.00 C ATOM 1028 CD2 PHE A 62 -3.504 5.136 -0.323 1.00 0.00 C ATOM 1029 CE1 PHE A 62 -1.129 3.916 0.365 1.00 0.00 C ATOM 1030 CE2 PHE A 62 -3.392 3.762 -0.366 1.00 0.00 C ATOM 1031 CZ PHE A 62 -2.204 3.150 -0.023 1.00 0.00 C ATOM 0 H PHE A 62 -2.147 6.711 2.930 1.00 0.00 H new ATOM 0 HA PHE A 62 -2.926 9.136 1.426 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.299 7.779 -0.597 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -1.601 7.899 -0.180 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -0.388 5.882 0.724 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -4.439 5.603 -0.597 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.197 3.440 0.632 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -4.238 3.163 -0.669 1.00 0.00 H new ATOM 0 HZ PHE A 62 -2.118 2.074 -0.059 1.00 0.00 H new ATOM 1041 N ASN A 63 -5.339 8.492 1.728 1.00 0.00 N ATOM 1042 CA ASN A 63 -6.751 8.236 2.085 1.00 0.00 C ATOM 1043 C ASN A 63 -7.421 7.353 1.002 1.00 0.00 C ATOM 1044 O ASN A 63 -7.101 7.469 -0.186 1.00 0.00 O ATOM 1045 CB ASN A 63 -7.530 9.575 2.270 1.00 0.00 C ATOM 1046 CG ASN A 63 -7.572 10.465 1.009 1.00 0.00 C ATOM 1047 OD1 ASN A 63 -6.640 10.479 0.211 1.00 0.00 O ATOM 1048 ND2 ASN A 63 -8.651 11.218 0.828 1.00 0.00 N ATOM 0 H ASN A 63 -5.188 9.399 1.286 1.00 0.00 H new ATOM 0 HA ASN A 63 -6.778 7.702 3.035 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.552 9.348 2.575 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -7.073 10.139 3.083 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -8.718 11.825 0.011 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -9.413 11.189 1.506 1.00 0.00 H new ATOM 1055 N ILE A 64 -8.324 6.450 1.426 1.00 0.00 N ATOM 1056 CA ILE A 64 -9.068 5.549 0.517 1.00 0.00 C ATOM 1057 C ILE A 64 -10.584 5.797 0.672 1.00 0.00 C ATOM 1058 O ILE A 64 -11.065 6.036 1.789 1.00 0.00 O ATOM 1059 CB ILE A 64 -8.719 4.023 0.774 1.00 0.00 C ATOM 1060 CG1 ILE A 64 -8.998 3.618 2.269 1.00 0.00 C ATOM 1061 CG2 ILE A 64 -7.252 3.714 0.355 1.00 0.00 C ATOM 1062 CD1 ILE A 64 -8.806 2.142 2.590 1.00 0.00 C ATOM 0 H ILE A 64 -8.561 6.322 2.410 1.00 0.00 H new ATOM 0 HA ILE A 64 -8.765 5.774 -0.506 1.00 0.00 H new ATOM 0 HB ILE A 64 -9.374 3.415 0.151 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -8.342 4.202 2.915 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -10.022 3.897 2.519 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -7.035 2.662 0.540 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -7.123 3.930 -0.706 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -6.569 4.333 0.937 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -9.023 1.968 3.644 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -9.482 1.545 1.977 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -7.776 1.855 2.379 1.00 0.00 H new ATOM 1074 N GLY A 65 -11.314 5.778 -0.458 1.00 0.00 N ATOM 1075 CA GLY A 65 -12.767 5.940 -0.452 1.00 0.00 C ATOM 1076 C GLY A 65 -13.465 4.693 0.070 1.00 0.00 C ATOM 1077 O GLY A 65 -14.369 4.779 0.915 1.00 0.00 O ATOM 0 H GLY A 65 -10.913 5.651 -1.387 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -13.036 6.795 0.168 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -13.114 6.157 -1.462 1.00 0.00 H new ATOM 1081 N SER A 66 -13.029 3.526 -0.430 1.00 0.00 N ATOM 1082 CA SER A 66 -13.516 2.215 0.018 1.00 0.00 C ATOM 1083 C SER A 66 -12.315 1.287 0.290 1.00 0.00 C ATOM 1084 O SER A 66 -11.331 1.297 -0.468 1.00 0.00 O ATOM 1085 CB SER A 66 -14.445 1.603 -1.054 1.00 0.00 C ATOM 1086 OG SER A 66 -15.514 2.477 -1.382 1.00 0.00 O ATOM 0 H SER A 66 -12.322 3.467 -1.163 1.00 0.00 H new ATOM 0 HA SER A 66 -14.086 2.333 0.939 1.00 0.00 H new ATOM 0 HB2 SER A 66 -13.868 1.381 -1.952 1.00 0.00 H new ATOM 0 HB3 SER A 66 -14.847 0.657 -0.691 1.00 0.00 H new ATOM 0 HG SER A 66 -16.081 2.059 -2.064 1.00 0.00 H new ATOM 1092 N VAL A 67 -12.398 0.518 1.392 1.00 0.00 N ATOM 1093 CA VAL A 67 -11.388 -0.509 1.746 1.00 0.00 C ATOM 1094 C VAL A 67 -11.333 -1.620 0.678 1.00 0.00 C ATOM 1095 O VAL A 67 -10.245 -2.036 0.289 1.00 0.00 O ATOM 1096 CB VAL A 67 -11.644 -1.135 3.174 1.00 0.00 C ATOM 1097 CG1 VAL A 67 -10.495 -2.101 3.586 1.00 0.00 C ATOM 1098 CG2 VAL A 67 -11.848 -0.026 4.237 1.00 0.00 C ATOM 0 H VAL A 67 -13.163 0.587 2.063 1.00 0.00 H new ATOM 0 HA VAL A 67 -10.424 -0.002 1.779 1.00 0.00 H new ATOM 0 HB VAL A 67 -12.561 -1.721 3.118 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -10.703 -2.514 4.573 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -10.424 -2.912 2.861 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.552 -1.555 3.613 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -12.022 -0.483 5.211 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -10.957 0.601 4.285 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -12.708 0.586 3.964 1.00 0.00 H new ATOM 1108 N ASP A 68 -12.511 -2.052 0.179 1.00 0.00 N ATOM 1109 CA ASP A 68 -12.608 -3.090 -0.882 1.00 0.00 C ATOM 1110 C ASP A 68 -11.926 -2.623 -2.175 1.00 0.00 C ATOM 1111 O ASP A 68 -11.248 -3.401 -2.844 1.00 0.00 O ATOM 1112 CB ASP A 68 -14.091 -3.447 -1.174 1.00 0.00 C ATOM 1113 CG ASP A 68 -14.786 -4.173 -0.011 1.00 0.00 C ATOM 1114 OD1 ASP A 68 -15.365 -3.504 0.867 1.00 0.00 O ATOM 1115 OD2 ASP A 68 -14.753 -5.423 0.035 1.00 0.00 O ATOM 0 H ASP A 68 -13.415 -1.699 0.493 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.095 -3.980 -0.517 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -14.639 -2.532 -1.401 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -14.137 -4.075 -2.064 1.00 0.00 H new ATOM 1120 N THR A 69 -12.111 -1.334 -2.493 1.00 0.00 N ATOM 1121 CA THR A 69 -11.486 -0.689 -3.659 1.00 0.00 C ATOM 1122 C THR A 69 -9.954 -0.689 -3.529 1.00 0.00 C ATOM 1123 O THR A 69 -9.247 -1.035 -4.482 1.00 0.00 O ATOM 1124 CB THR A 69 -12.030 0.763 -3.818 1.00 0.00 C ATOM 1125 OG1 THR A 69 -13.449 0.714 -4.006 1.00 0.00 O ATOM 1126 CG2 THR A 69 -11.395 1.533 -4.982 1.00 0.00 C ATOM 0 H THR A 69 -12.701 -0.706 -1.947 1.00 0.00 H new ATOM 0 HA THR A 69 -11.743 -1.258 -4.553 1.00 0.00 H new ATOM 0 HB THR A 69 -11.767 1.299 -2.906 1.00 0.00 H new ATOM 0 HG1 THR A 69 -13.798 1.625 -4.105 1.00 0.00 H new ATOM 0 HG21 THR A 69 -11.822 2.535 -5.031 1.00 0.00 H new ATOM 0 HG22 THR A 69 -10.318 1.605 -4.827 1.00 0.00 H new ATOM 0 HG23 THR A 69 -11.593 1.008 -5.916 1.00 0.00 H new ATOM 1134 N PHE A 70 -9.469 -0.315 -2.325 1.00 0.00 N ATOM 1135 CA PHE A 70 -8.037 -0.366 -1.964 1.00 0.00 C ATOM 1136 C PHE A 70 -7.448 -1.763 -2.214 1.00 0.00 C ATOM 1137 O PHE A 70 -6.377 -1.885 -2.812 1.00 0.00 O ATOM 1138 CB PHE A 70 -7.839 0.051 -0.471 1.00 0.00 C ATOM 1139 CG PHE A 70 -6.461 -0.305 0.121 1.00 0.00 C ATOM 1140 CD1 PHE A 70 -5.302 0.336 -0.317 1.00 0.00 C ATOM 1141 CD2 PHE A 70 -6.333 -1.306 1.084 1.00 0.00 C ATOM 1142 CE1 PHE A 70 -4.067 -0.011 0.190 1.00 0.00 C ATOM 1143 CE2 PHE A 70 -5.096 -1.653 1.583 1.00 0.00 C ATOM 1144 CZ PHE A 70 -3.964 -1.004 1.140 1.00 0.00 C ATOM 0 H PHE A 70 -10.064 0.032 -1.573 1.00 0.00 H new ATOM 0 HA PHE A 70 -7.504 0.340 -2.601 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -7.989 1.127 -0.386 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -8.612 -0.427 0.131 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.373 1.114 -1.063 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -7.215 -1.816 1.443 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -3.179 0.496 -0.158 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -5.014 -2.435 2.323 1.00 0.00 H new ATOM 0 HZ PHE A 70 -2.996 -1.273 1.537 1.00 0.00 H new ATOM 1154 N GLU A 71 -8.162 -2.799 -1.744 1.00 0.00 N ATOM 1155 CA GLU A 71 -7.724 -4.199 -1.861 1.00 0.00 C ATOM 1156 C GLU A 71 -7.631 -4.622 -3.332 1.00 0.00 C ATOM 1157 O GLU A 71 -6.630 -5.187 -3.738 1.00 0.00 O ATOM 1158 CB GLU A 71 -8.700 -5.148 -1.121 1.00 0.00 C ATOM 1159 CG GLU A 71 -8.863 -4.881 0.383 1.00 0.00 C ATOM 1160 CD GLU A 71 -9.849 -5.860 1.039 1.00 0.00 C ATOM 1161 OE1 GLU A 71 -11.054 -5.809 0.722 1.00 0.00 O ATOM 1162 OE2 GLU A 71 -9.421 -6.723 1.836 1.00 0.00 O ATOM 0 H GLU A 71 -9.060 -2.689 -1.272 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.737 -4.271 -1.403 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.679 -5.076 -1.594 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -8.356 -6.173 -1.256 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -7.892 -4.962 0.873 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.212 -3.860 0.534 1.00 0.00 H new ATOM 1169 N ARG A 72 -8.680 -4.318 -4.120 1.00 0.00 N ATOM 1170 CA ARG A 72 -8.759 -4.699 -5.547 1.00 0.00 C ATOM 1171 C ARG A 72 -7.617 -4.062 -6.353 1.00 0.00 C ATOM 1172 O ARG A 72 -6.972 -4.737 -7.164 1.00 0.00 O ATOM 1173 CB ARG A 72 -10.126 -4.283 -6.154 1.00 0.00 C ATOM 1174 CG ARG A 72 -11.340 -5.034 -5.588 1.00 0.00 C ATOM 1175 CD ARG A 72 -12.641 -4.666 -6.320 1.00 0.00 C ATOM 1176 NE ARG A 72 -12.585 -5.008 -7.761 1.00 0.00 N ATOM 1177 CZ ARG A 72 -12.665 -4.130 -8.780 1.00 0.00 C ATOM 1178 NH1 ARG A 72 -12.815 -2.830 -8.553 1.00 0.00 N ATOM 1179 NH2 ARG A 72 -12.600 -4.566 -10.032 1.00 0.00 N ATOM 0 H ARG A 72 -9.495 -3.803 -3.788 1.00 0.00 H new ATOM 0 HA ARG A 72 -8.663 -5.783 -5.604 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -10.270 -3.215 -5.991 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -10.091 -4.439 -7.232 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -11.171 -6.108 -5.668 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -11.444 -4.806 -4.527 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -13.478 -5.188 -5.856 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -12.830 -3.598 -6.208 1.00 0.00 H new ATOM 0 HE ARG A 72 -12.477 -5.993 -8.002 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -12.871 -2.483 -7.596 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -12.874 -2.179 -9.336 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -12.490 -5.562 -10.220 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -12.660 -3.905 -10.806 1.00 0.00 H new ATOM 1193 N ASN A 73 -7.371 -2.764 -6.100 1.00 0.00 N ATOM 1194 CA ASN A 73 -6.291 -2.000 -6.745 1.00 0.00 C ATOM 1195 C ASN A 73 -4.923 -2.571 -6.367 1.00 0.00 C ATOM 1196 O ASN A 73 -4.080 -2.771 -7.231 1.00 0.00 O ATOM 1197 CB ASN A 73 -6.367 -0.502 -6.334 1.00 0.00 C ATOM 1198 CG ASN A 73 -7.610 0.213 -6.873 1.00 0.00 C ATOM 1199 OD1 ASN A 73 -8.071 -0.066 -7.973 1.00 0.00 O ATOM 1200 ND2 ASN A 73 -8.160 1.142 -6.102 1.00 0.00 N ATOM 0 H ASN A 73 -7.919 -2.214 -5.439 1.00 0.00 H new ATOM 0 HA ASN A 73 -6.418 -2.081 -7.825 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -6.358 -0.430 -5.246 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -5.476 0.012 -6.695 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -8.988 1.645 -6.421 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -7.755 1.354 -5.190 1.00 0.00 H new ATOM 1207 N LEU A 74 -4.741 -2.824 -5.061 1.00 0.00 N ATOM 1208 CA LEU A 74 -3.492 -3.344 -4.488 1.00 0.00 C ATOM 1209 C LEU A 74 -3.135 -4.727 -5.064 1.00 0.00 C ATOM 1210 O LEU A 74 -2.002 -4.945 -5.484 1.00 0.00 O ATOM 1211 CB LEU A 74 -3.596 -3.413 -2.937 1.00 0.00 C ATOM 1212 CG LEU A 74 -2.295 -3.824 -2.189 1.00 0.00 C ATOM 1213 CD1 LEU A 74 -1.143 -2.823 -2.439 1.00 0.00 C ATOM 1214 CD2 LEU A 74 -2.556 -4.022 -0.681 1.00 0.00 C ATOM 0 H LEU A 74 -5.470 -2.670 -4.364 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.691 -2.656 -4.760 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.911 -2.437 -2.569 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.382 -4.121 -2.676 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.976 -4.782 -2.599 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.254 -3.148 -1.898 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.923 -2.780 -3.506 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.438 -1.834 -2.090 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.628 -4.309 -0.186 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.925 -3.091 -0.250 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.300 -4.806 -0.540 1.00 0.00 H new ATOM 1226 N GLU A 75 -4.112 -5.645 -5.074 1.00 0.00 N ATOM 1227 CA GLU A 75 -3.922 -7.017 -5.575 1.00 0.00 C ATOM 1228 C GLU A 75 -3.548 -7.011 -7.070 1.00 0.00 C ATOM 1229 O GLU A 75 -2.563 -7.633 -7.453 1.00 0.00 O ATOM 1230 CB GLU A 75 -5.189 -7.883 -5.325 1.00 0.00 C ATOM 1231 CG GLU A 75 -5.520 -8.129 -3.840 1.00 0.00 C ATOM 1232 CD GLU A 75 -4.405 -8.875 -3.100 1.00 0.00 C ATOM 1233 OE1 GLU A 75 -4.355 -10.121 -3.179 1.00 0.00 O ATOM 1234 OE2 GLU A 75 -3.559 -8.230 -2.452 1.00 0.00 O ATOM 0 H GLU A 75 -5.056 -5.459 -4.736 1.00 0.00 H new ATOM 0 HA GLU A 75 -3.095 -7.463 -5.022 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.043 -7.398 -5.798 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.057 -8.846 -5.818 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -5.699 -7.173 -3.349 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.444 -8.702 -3.768 1.00 0.00 H new ATOM 1241 N THR A 76 -4.313 -6.248 -7.881 1.00 0.00 N ATOM 1242 CA THR A 76 -4.071 -6.103 -9.332 1.00 0.00 C ATOM 1243 C THR A 76 -2.643 -5.575 -9.588 1.00 0.00 C ATOM 1244 O THR A 76 -1.857 -6.197 -10.298 1.00 0.00 O ATOM 1245 CB THR A 76 -5.124 -5.122 -9.965 1.00 0.00 C ATOM 1246 OG1 THR A 76 -6.444 -5.635 -9.774 1.00 0.00 O ATOM 1247 CG2 THR A 76 -4.904 -4.900 -11.464 1.00 0.00 C ATOM 0 H THR A 76 -5.116 -5.715 -7.547 1.00 0.00 H new ATOM 0 HA THR A 76 -4.174 -7.083 -9.798 1.00 0.00 H new ATOM 0 HB THR A 76 -4.998 -4.165 -9.459 1.00 0.00 H new ATOM 0 HG1 THR A 76 -6.763 -5.392 -8.880 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.661 -4.214 -11.845 1.00 0.00 H new ATOM 0 HG22 THR A 76 -3.914 -4.475 -11.627 1.00 0.00 H new ATOM 0 HG23 THR A 76 -4.981 -5.853 -11.988 1.00 0.00 H new ATOM 1255 N LEU A 77 -2.371 -4.423 -8.952 1.00 0.00 N ATOM 1256 CA LEU A 77 -1.061 -3.736 -8.911 1.00 0.00 C ATOM 1257 C LEU A 77 0.107 -4.701 -8.643 1.00 0.00 C ATOM 1258 O LEU A 77 1.109 -4.712 -9.375 1.00 0.00 O ATOM 1259 CB LEU A 77 -1.101 -2.662 -7.796 1.00 0.00 C ATOM 1260 CG LEU A 77 0.198 -1.859 -7.556 1.00 0.00 C ATOM 1261 CD1 LEU A 77 0.578 -1.018 -8.789 1.00 0.00 C ATOM 1262 CD2 LEU A 77 0.064 -1.003 -6.284 1.00 0.00 C ATOM 0 H LEU A 77 -3.087 -3.920 -8.428 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.889 -3.287 -9.889 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.898 -1.957 -8.032 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.375 -3.152 -6.862 1.00 0.00 H new ATOM 0 HG LEU A 77 1.017 -2.561 -7.400 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.496 -0.467 -8.585 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.733 -1.676 -9.644 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.225 -0.316 -9.012 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.985 -0.442 -6.125 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.769 -0.309 -6.398 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.119 -1.651 -5.427 1.00 0.00 H new ATOM 1274 N GLN A 78 -0.049 -5.502 -7.582 1.00 0.00 N ATOM 1275 CA GLN A 78 0.957 -6.466 -7.140 1.00 0.00 C ATOM 1276 C GLN A 78 1.171 -7.567 -8.199 1.00 0.00 C ATOM 1277 O GLN A 78 2.309 -7.911 -8.490 1.00 0.00 O ATOM 1278 CB GLN A 78 0.551 -7.043 -5.749 1.00 0.00 C ATOM 1279 CG GLN A 78 0.846 -6.095 -4.551 1.00 0.00 C ATOM 1280 CD GLN A 78 0.175 -6.520 -3.236 1.00 0.00 C ATOM 1281 OE1 GLN A 78 0.748 -6.380 -2.159 1.00 0.00 O ATOM 1282 NE2 GLN A 78 -1.075 -6.955 -3.303 1.00 0.00 N ATOM 0 H GLN A 78 -0.888 -5.496 -7.002 1.00 0.00 H new ATOM 0 HA GLN A 78 1.917 -5.963 -7.025 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -0.514 -7.273 -5.761 1.00 0.00 H new ATOM 0 HB3 GLN A 78 1.078 -7.984 -5.591 1.00 0.00 H new ATOM 0 HG2 GLN A 78 1.924 -6.046 -4.397 1.00 0.00 H new ATOM 0 HG3 GLN A 78 0.514 -5.089 -4.807 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -1.529 -7.063 -4.210 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -1.583 -7.182 -2.448 1.00 0.00 H new ATOM 1291 N GLN A 79 0.077 -8.061 -8.811 1.00 0.00 N ATOM 1292 CA GLN A 79 0.155 -9.106 -9.861 1.00 0.00 C ATOM 1293 C GLN A 79 0.905 -8.576 -11.097 1.00 0.00 C ATOM 1294 O GLN A 79 1.716 -9.294 -11.700 1.00 0.00 O ATOM 1295 CB GLN A 79 -1.260 -9.620 -10.251 1.00 0.00 C ATOM 1296 CG GLN A 79 -2.056 -10.239 -9.088 1.00 0.00 C ATOM 1297 CD GLN A 79 -1.360 -11.422 -8.408 1.00 0.00 C ATOM 1298 OE1 GLN A 79 -0.599 -11.254 -7.453 1.00 0.00 O ATOM 1299 NE2 GLN A 79 -1.636 -12.628 -8.884 1.00 0.00 N ATOM 0 H GLN A 79 -0.873 -7.756 -8.599 1.00 0.00 H new ATOM 0 HA GLN A 79 0.713 -9.949 -9.455 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -1.833 -8.791 -10.666 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -1.158 -10.364 -11.041 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -2.247 -9.467 -8.342 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -3.026 -10.568 -9.461 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -2.271 -12.731 -9.676 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -1.214 -13.453 -8.458 1.00 0.00 H new ATOM 1308 N GLU A 80 0.658 -7.296 -11.431 1.00 0.00 N ATOM 1309 CA GLU A 80 1.351 -6.582 -12.526 1.00 0.00 C ATOM 1310 C GLU A 80 2.871 -6.517 -12.271 1.00 0.00 C ATOM 1311 O GLU A 80 3.674 -6.664 -13.198 1.00 0.00 O ATOM 1312 CB GLU A 80 0.787 -5.140 -12.666 1.00 0.00 C ATOM 1313 CG GLU A 80 -0.717 -5.038 -12.998 1.00 0.00 C ATOM 1314 CD GLU A 80 -1.094 -5.672 -14.340 1.00 0.00 C ATOM 1315 OE1 GLU A 80 -0.931 -5.009 -15.390 1.00 0.00 O ATOM 1316 OE2 GLU A 80 -1.551 -6.835 -14.365 1.00 0.00 O ATOM 0 H GLU A 80 -0.032 -6.722 -10.947 1.00 0.00 H new ATOM 0 HA GLU A 80 1.176 -7.134 -13.450 1.00 0.00 H new ATOM 0 HB2 GLU A 80 0.971 -4.606 -11.734 1.00 0.00 H new ATOM 0 HB3 GLU A 80 1.348 -4.624 -13.445 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -1.289 -5.520 -12.205 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.008 -3.988 -13.008 1.00 0.00 H new ATOM 1323 N LEU A 81 3.242 -6.288 -10.998 1.00 0.00 N ATOM 1324 CA LEU A 81 4.649 -6.195 -10.558 1.00 0.00 C ATOM 1325 C LEU A 81 5.265 -7.590 -10.274 1.00 0.00 C ATOM 1326 O LEU A 81 6.477 -7.694 -10.068 1.00 0.00 O ATOM 1327 CB LEU A 81 4.744 -5.284 -9.295 1.00 0.00 C ATOM 1328 CG LEU A 81 4.334 -3.786 -9.489 1.00 0.00 C ATOM 1329 CD1 LEU A 81 4.438 -2.987 -8.161 1.00 0.00 C ATOM 1330 CD2 LEU A 81 5.170 -3.131 -10.616 1.00 0.00 C ATOM 0 H LEU A 81 2.571 -6.161 -10.240 1.00 0.00 H new ATOM 0 HA LEU A 81 5.227 -5.753 -11.370 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.114 -5.713 -8.515 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.770 -5.313 -8.928 1.00 0.00 H new ATOM 0 HG LEU A 81 3.287 -3.762 -9.792 1.00 0.00 H new ATOM 0 HD11 LEU A 81 4.146 -1.952 -8.335 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.776 -3.430 -7.417 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.465 -3.018 -7.797 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.869 -2.090 -10.734 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.228 -3.176 -10.357 1.00 0.00 H new ATOM 0 HD23 LEU A 81 5.002 -3.666 -11.551 1.00 0.00 H new ATOM 1342 N GLY A 82 4.425 -8.650 -10.286 1.00 0.00 N ATOM 1343 CA GLY A 82 4.864 -10.022 -9.979 1.00 0.00 C ATOM 1344 C GLY A 82 4.956 -10.309 -8.479 1.00 0.00 C ATOM 1345 O GLY A 82 5.417 -11.379 -8.076 1.00 0.00 O ATOM 0 H GLY A 82 3.432 -8.575 -10.507 1.00 0.00 H new ATOM 0 HA2 GLY A 82 4.170 -10.728 -10.435 1.00 0.00 H new ATOM 0 HA3 GLY A 82 5.839 -10.194 -10.435 1.00 0.00 H new ATOM 1349 N ILE A 83 4.506 -9.335 -7.661 1.00 0.00 N ATOM 1350 CA ILE A 83 4.457 -9.422 -6.190 1.00 0.00 C ATOM 1351 C ILE A 83 3.265 -10.313 -5.763 1.00 0.00 C ATOM 1352 O ILE A 83 2.100 -9.916 -5.900 1.00 0.00 O ATOM 1353 CB ILE A 83 4.298 -7.975 -5.558 1.00 0.00 C ATOM 1354 CG1 ILE A 83 5.445 -7.010 -6.001 1.00 0.00 C ATOM 1355 CG2 ILE A 83 4.199 -8.033 -4.018 1.00 0.00 C ATOM 1356 CD1 ILE A 83 5.270 -5.572 -5.515 1.00 0.00 C ATOM 0 H ILE A 83 4.158 -8.444 -8.016 1.00 0.00 H new ATOM 0 HA ILE A 83 5.387 -9.861 -5.830 1.00 0.00 H new ATOM 0 HB ILE A 83 3.361 -7.571 -5.942 1.00 0.00 H new ATOM 0 HG12 ILE A 83 6.394 -7.395 -5.629 1.00 0.00 H new ATOM 0 HG13 ILE A 83 5.506 -7.010 -7.089 1.00 0.00 H new ATOM 0 HG21 ILE A 83 4.091 -7.023 -3.622 1.00 0.00 H new ATOM 0 HG22 ILE A 83 3.333 -8.630 -3.731 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.103 -8.487 -3.612 1.00 0.00 H new ATOM 0 HD11 ILE A 83 6.106 -4.966 -5.864 1.00 0.00 H new ATOM 0 HD12 ILE A 83 4.338 -5.166 -5.909 1.00 0.00 H new ATOM 0 HD13 ILE A 83 5.241 -5.557 -4.425 1.00 0.00 H new ATOM 1368 N GLU A 84 3.572 -11.521 -5.260 1.00 0.00 N ATOM 1369 CA GLU A 84 2.563 -12.516 -4.852 1.00 0.00 C ATOM 1370 C GLU A 84 3.109 -13.413 -3.727 1.00 0.00 C ATOM 1371 O GLU A 84 4.262 -13.256 -3.311 1.00 0.00 O ATOM 1372 CB GLU A 84 2.074 -13.332 -6.104 1.00 0.00 C ATOM 1373 CG GLU A 84 3.159 -13.764 -7.111 1.00 0.00 C ATOM 1374 CD GLU A 84 4.174 -14.773 -6.560 1.00 0.00 C ATOM 1375 OE1 GLU A 84 3.814 -15.956 -6.402 1.00 0.00 O ATOM 1376 OE2 GLU A 84 5.328 -14.388 -6.263 1.00 0.00 O ATOM 0 H GLU A 84 4.532 -11.837 -5.124 1.00 0.00 H new ATOM 0 HA GLU A 84 1.692 -12.005 -4.443 1.00 0.00 H new ATOM 0 HB2 GLU A 84 1.562 -14.227 -5.749 1.00 0.00 H new ATOM 0 HB3 GLU A 84 1.335 -12.732 -6.635 1.00 0.00 H new ATOM 0 HG2 GLU A 84 2.673 -14.197 -7.985 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.695 -12.878 -7.451 1.00 0.00 H new ATOM 1383 N GLY A 85 2.252 -14.330 -3.229 1.00 0.00 N ATOM 1384 CA GLY A 85 2.633 -15.306 -2.202 1.00 0.00 C ATOM 1385 C GLY A 85 2.990 -14.674 -0.861 1.00 0.00 C ATOM 1386 O GLY A 85 2.198 -13.923 -0.303 1.00 0.00 O ATOM 0 H GLY A 85 1.281 -14.409 -3.531 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.811 -16.007 -2.056 1.00 0.00 H new ATOM 0 HA3 GLY A 85 3.485 -15.884 -2.560 1.00 0.00 H new ATOM 1390 N GLU A 86 4.196 -14.984 -0.352 1.00 0.00 N ATOM 1391 CA GLU A 86 4.711 -14.426 0.919 1.00 0.00 C ATOM 1392 C GLU A 86 5.400 -13.063 0.689 1.00 0.00 C ATOM 1393 O GLU A 86 5.777 -12.385 1.651 1.00 0.00 O ATOM 1394 CB GLU A 86 5.711 -15.413 1.575 1.00 0.00 C ATOM 1395 CG GLU A 86 7.006 -15.628 0.769 1.00 0.00 C ATOM 1396 CD GLU A 86 8.089 -16.373 1.560 1.00 0.00 C ATOM 1397 OE1 GLU A 86 8.703 -15.752 2.456 1.00 0.00 O ATOM 1398 OE2 GLU A 86 8.341 -17.561 1.292 1.00 0.00 O ATOM 0 H GLU A 86 4.843 -15.628 -0.807 1.00 0.00 H new ATOM 0 HA GLU A 86 3.862 -14.277 1.586 1.00 0.00 H new ATOM 0 HB2 GLU A 86 5.971 -15.044 2.567 1.00 0.00 H new ATOM 0 HB3 GLU A 86 5.218 -16.375 1.712 1.00 0.00 H new ATOM 0 HG2 GLU A 86 6.775 -16.189 -0.136 1.00 0.00 H new ATOM 0 HG3 GLU A 86 7.396 -14.660 0.453 1.00 0.00 H new ATOM 1405 N ASN A 87 5.576 -12.690 -0.592 1.00 0.00 N ATOM 1406 CA ASN A 87 6.254 -11.440 -0.987 1.00 0.00 C ATOM 1407 C ASN A 87 5.249 -10.271 -1.067 1.00 0.00 C ATOM 1408 O ASN A 87 5.664 -9.105 -1.147 1.00 0.00 O ATOM 1409 CB ASN A 87 6.986 -11.626 -2.345 1.00 0.00 C ATOM 1410 CG ASN A 87 7.858 -10.424 -2.753 1.00 0.00 C ATOM 1411 OD1 ASN A 87 9.031 -10.344 -2.390 1.00 0.00 O ATOM 1412 ND2 ASN A 87 7.296 -9.489 -3.509 1.00 0.00 N ATOM 0 H ASN A 87 5.252 -13.246 -1.383 1.00 0.00 H new ATOM 0 HA ASN A 87 6.994 -11.198 -0.225 1.00 0.00 H new ATOM 0 HB2 ASN A 87 7.614 -12.516 -2.290 1.00 0.00 H new ATOM 0 HB3 ASN A 87 6.245 -11.806 -3.124 1.00 0.00 H new ATOM 0 HD21 ASN A 87 7.839 -8.677 -3.804 1.00 0.00 H new ATOM 0 HD22 ASN A 87 6.321 -9.582 -3.795 1.00 0.00 H new ATOM 1419 N ARG A 88 3.928 -10.578 -1.046 1.00 0.00 N ATOM 1420 CA ARG A 88 2.882 -9.533 -1.091 1.00 0.00 C ATOM 1421 C ARG A 88 2.955 -8.638 0.156 1.00 0.00 C ATOM 1422 O ARG A 88 3.333 -9.105 1.240 1.00 0.00 O ATOM 1423 CB ARG A 88 1.459 -10.132 -1.264 1.00 0.00 C ATOM 1424 CG ARG A 88 0.947 -10.954 -0.071 1.00 0.00 C ATOM 1425 CD ARG A 88 -0.512 -11.389 -0.250 1.00 0.00 C ATOM 1426 NE ARG A 88 -0.701 -12.243 -1.445 1.00 0.00 N ATOM 1427 CZ ARG A 88 -0.848 -13.576 -1.434 1.00 0.00 C ATOM 1428 NH1 ARG A 88 -0.815 -14.261 -0.297 1.00 0.00 N ATOM 1429 NH2 ARG A 88 -1.018 -14.226 -2.568 1.00 0.00 N ATOM 0 H ARG A 88 3.567 -11.531 -0.999 1.00 0.00 H new ATOM 0 HA ARG A 88 3.076 -8.919 -1.971 1.00 0.00 H new ATOM 0 HB2 ARG A 88 0.759 -9.317 -1.451 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.454 -10.766 -2.151 1.00 0.00 H new ATOM 0 HG2 ARG A 88 1.574 -11.836 0.056 1.00 0.00 H new ATOM 0 HG3 ARG A 88 1.039 -10.364 0.841 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -0.838 -11.932 0.637 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -1.145 -10.505 -0.334 1.00 0.00 H new ATOM 0 HE ARG A 88 -0.721 -11.778 -2.353 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -0.676 -13.774 0.588 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -0.929 -15.275 -0.309 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -1.037 -13.715 -3.451 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -1.130 -15.240 -2.563 1.00 0.00 H new ATOM 1443 N VAL A 89 2.605 -7.353 -0.017 1.00 0.00 N ATOM 1444 CA VAL A 89 2.704 -6.351 1.054 1.00 0.00 C ATOM 1445 C VAL A 89 1.692 -6.702 2.179 1.00 0.00 C ATOM 1446 O VAL A 89 0.488 -6.740 1.908 1.00 0.00 O ATOM 1447 CB VAL A 89 2.441 -4.890 0.516 1.00 0.00 C ATOM 1448 CG1 VAL A 89 2.668 -3.840 1.627 1.00 0.00 C ATOM 1449 CG2 VAL A 89 3.315 -4.596 -0.728 1.00 0.00 C ATOM 0 H VAL A 89 2.248 -6.982 -0.898 1.00 0.00 H new ATOM 0 HA VAL A 89 3.719 -6.371 1.450 1.00 0.00 H new ATOM 0 HB VAL A 89 1.397 -4.823 0.211 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.480 -2.843 1.229 1.00 0.00 H new ATOM 0 HG12 VAL A 89 1.987 -4.034 2.456 1.00 0.00 H new ATOM 0 HG13 VAL A 89 3.697 -3.901 1.981 1.00 0.00 H new ATOM 0 HG21 VAL A 89 3.117 -3.584 -1.081 1.00 0.00 H new ATOM 0 HG22 VAL A 89 4.368 -4.688 -0.463 1.00 0.00 H new ATOM 0 HG23 VAL A 89 3.076 -5.309 -1.517 1.00 0.00 H new ATOM 1459 N PRO A 90 2.173 -7.020 3.432 1.00 0.00 N ATOM 1460 CA PRO A 90 1.298 -7.357 4.589 1.00 0.00 C ATOM 1461 C PRO A 90 0.346 -6.200 4.922 1.00 0.00 C ATOM 1462 O PRO A 90 0.794 -5.104 5.261 1.00 0.00 O ATOM 1463 CB PRO A 90 2.305 -7.621 5.749 1.00 0.00 C ATOM 1464 CG PRO A 90 3.602 -7.912 5.068 1.00 0.00 C ATOM 1465 CD PRO A 90 3.601 -7.073 3.818 1.00 0.00 C ATOM 0 HA PRO A 90 0.651 -8.212 4.395 1.00 0.00 H new ATOM 0 HB2 PRO A 90 2.388 -6.755 6.406 1.00 0.00 H new ATOM 0 HB3 PRO A 90 1.986 -8.460 6.367 1.00 0.00 H new ATOM 0 HG2 PRO A 90 4.447 -7.659 5.709 1.00 0.00 H new ATOM 0 HG3 PRO A 90 3.690 -8.972 4.829 1.00 0.00 H new ATOM 0 HD2 PRO A 90 4.003 -6.077 4.004 1.00 0.00 H new ATOM 0 HD3 PRO A 90 4.211 -7.522 3.034 1.00 0.00 H new ATOM 1473 N VAL A 91 -0.965 -6.436 4.802 1.00 0.00 N ATOM 1474 CA VAL A 91 -1.964 -5.384 5.025 1.00 0.00 C ATOM 1475 C VAL A 91 -2.593 -5.587 6.405 1.00 0.00 C ATOM 1476 O VAL A 91 -3.090 -6.676 6.704 1.00 0.00 O ATOM 1477 CB VAL A 91 -3.075 -5.363 3.917 1.00 0.00 C ATOM 1478 CG1 VAL A 91 -3.930 -4.087 4.029 1.00 0.00 C ATOM 1479 CG2 VAL A 91 -2.464 -5.500 2.509 1.00 0.00 C ATOM 0 H VAL A 91 -1.359 -7.343 4.552 1.00 0.00 H new ATOM 0 HA VAL A 91 -1.458 -4.420 4.974 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.725 -6.223 4.077 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.694 -4.092 3.252 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.408 -4.054 5.008 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.294 -3.211 3.906 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -3.259 -5.482 1.764 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.778 -4.672 2.328 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.922 -6.443 2.438 1.00 0.00 H new ATOM 1489 N VAL A 92 -2.551 -4.535 7.237 1.00 0.00 N ATOM 1490 CA VAL A 92 -3.048 -4.561 8.611 1.00 0.00 C ATOM 1491 C VAL A 92 -4.289 -3.656 8.665 1.00 0.00 C ATOM 1492 O VAL A 92 -4.160 -2.435 8.786 1.00 0.00 O ATOM 1493 CB VAL A 92 -1.949 -4.038 9.627 1.00 0.00 C ATOM 1494 CG1 VAL A 92 -2.421 -4.179 11.092 1.00 0.00 C ATOM 1495 CG2 VAL A 92 -0.575 -4.724 9.392 1.00 0.00 C ATOM 0 H VAL A 92 -2.164 -3.631 6.965 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.294 -5.583 8.899 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.808 -2.974 9.435 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.644 -3.811 11.762 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.331 -3.597 11.239 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -2.622 -5.228 11.310 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.151 -4.339 10.108 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.679 -5.801 9.524 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.232 -4.514 8.379 1.00 0.00 H new ATOM 1505 N TYR A 93 -5.483 -4.254 8.535 1.00 0.00 N ATOM 1506 CA TYR A 93 -6.748 -3.514 8.586 1.00 0.00 C ATOM 1507 C TYR A 93 -7.042 -3.188 10.047 1.00 0.00 C ATOM 1508 O TYR A 93 -7.447 -4.062 10.819 1.00 0.00 O ATOM 1509 CB TYR A 93 -7.902 -4.334 7.948 1.00 0.00 C ATOM 1510 CG TYR A 93 -7.618 -4.804 6.516 1.00 0.00 C ATOM 1511 CD1 TYR A 93 -7.782 -3.945 5.432 1.00 0.00 C ATOM 1512 CD2 TYR A 93 -7.160 -6.098 6.256 1.00 0.00 C ATOM 1513 CE1 TYR A 93 -7.504 -4.359 4.150 1.00 0.00 C ATOM 1514 CE2 TYR A 93 -6.875 -6.510 4.977 1.00 0.00 C ATOM 1515 CZ TYR A 93 -7.050 -5.639 3.930 1.00 0.00 C ATOM 1516 OH TYR A 93 -6.751 -6.044 2.657 1.00 0.00 O ATOM 0 H TYR A 93 -5.596 -5.258 8.393 1.00 0.00 H new ATOM 0 HA TYR A 93 -6.666 -2.592 8.010 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -8.103 -5.205 8.572 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -8.807 -3.727 7.947 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -8.133 -2.938 5.601 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -7.027 -6.788 7.076 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -7.642 -3.682 3.320 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -6.516 -7.512 4.796 1.00 0.00 H new ATOM 0 HH TYR A 93 -7.541 -6.458 2.251 1.00 0.00 H new ATOM 1526 N ILE A 94 -6.745 -1.946 10.428 1.00 0.00 N ATOM 1527 CA ILE A 94 -6.903 -1.454 11.797 1.00 0.00 C ATOM 1528 C ILE A 94 -8.271 -0.747 11.937 1.00 0.00 C ATOM 1529 O ILE A 94 -8.715 -0.062 11.006 1.00 0.00 O ATOM 1530 CB ILE A 94 -5.740 -0.450 12.163 1.00 0.00 C ATOM 1531 CG1 ILE A 94 -4.334 -1.091 11.897 1.00 0.00 C ATOM 1532 CG2 ILE A 94 -5.863 0.018 13.627 1.00 0.00 C ATOM 1533 CD1 ILE A 94 -3.140 -0.169 12.104 1.00 0.00 C ATOM 0 H ILE A 94 -6.382 -1.242 9.785 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.858 -2.300 12.483 1.00 0.00 H new ATOM 0 HB ILE A 94 -5.835 0.423 11.517 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -4.220 -1.956 12.550 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -4.311 -1.461 10.872 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -5.052 0.709 13.858 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -6.819 0.521 13.769 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.805 -0.845 14.291 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -2.219 -0.713 11.893 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -3.219 0.685 11.431 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -3.126 0.182 13.136 1.00 0.00 H new