USER MOD reduce.3.24.130724 H: found=0, std=0, add=540, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 542 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 31 THR OG1 : rot 180:sc= -0.0842 USER MOD Single : A 37 THR OG1 : rot -23:sc= 0.149 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.875 K(o=-0.87,f=-5.1!) USER MOD Single : A 52 THR OG1 : rot -160:sc= 0.0251 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.013) USER MOD Single : A 65 ASN : amide:sc= -1.3 K(o=-1.3,f=-1.8) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.011 K(o=-0.011,f=-1.5) USER MOD Single : A 74 TYR OH : rot 180:sc= -0.122 USER MOD Single : A 77 CYS SG : rot 140:sc= -0.16 USER MOD Single : A 78 ASN : amide:sc= -0.341 X(o=-0.34,f=-0.027) USER MOD Single : A 81 TYR OH : rot 158:sc= -0.534 USER MOD Single : A 88 SER OG : rot 180:sc= 0.0236 USER MOD ----------------------------------------------------------------- ATOM 210 N GLU A 19 5.377 -10.251 -3.097 1.00 0.00 N ATOM 211 CA GLU A 19 6.481 -10.073 -2.160 1.00 0.00 C ATOM 212 C GLU A 19 6.208 -8.909 -1.213 1.00 0.00 C ATOM 213 O GLU A 19 6.475 -7.754 -1.542 1.00 0.00 O ATOM 214 CB GLU A 19 7.788 -9.836 -2.922 1.00 0.00 C ATOM 215 CG GLU A 19 8.833 -10.916 -2.686 1.00 0.00 C ATOM 216 CD GLU A 19 10.177 -10.347 -2.273 1.00 0.00 C ATOM 217 OE1 GLU A 19 10.379 -10.119 -1.062 1.00 0.00 O ATOM 218 OE2 GLU A 19 11.028 -10.131 -3.161 1.00 0.00 O ATOM 0 HA GLU A 19 6.575 -10.983 -1.567 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.572 -9.778 -3.989 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.201 -8.871 -2.627 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.478 -11.597 -1.913 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.955 -11.503 -3.596 1.00 0.00 H new ATOM 225 N VAL A 20 5.674 -9.223 -0.037 1.00 0.00 N ATOM 226 CA VAL A 20 5.365 -8.204 0.960 1.00 0.00 C ATOM 227 C VAL A 20 6.548 -7.978 1.900 1.00 0.00 C ATOM 228 O VAL A 20 6.884 -8.850 2.702 1.00 0.00 O ATOM 229 CB VAL A 20 4.131 -8.593 1.794 1.00 0.00 C ATOM 230 CG1 VAL A 20 3.711 -7.442 2.697 1.00 0.00 C ATOM 231 CG2 VAL A 20 2.984 -9.015 0.888 1.00 0.00 C ATOM 0 H VAL A 20 5.446 -10.175 0.249 1.00 0.00 H new ATOM 0 HA VAL A 20 5.153 -7.283 0.417 1.00 0.00 H new ATOM 0 HB VAL A 20 4.396 -9.441 2.425 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.837 -7.736 3.279 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.529 -7.192 3.372 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.465 -6.572 2.088 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.121 -9.286 1.496 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.718 -8.189 0.229 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.290 -9.873 0.289 1.00 0.00 H new ATOM 241 N PRO A 21 7.200 -6.803 1.819 1.00 0.00 N ATOM 242 CA PRO A 21 8.349 -6.479 2.672 1.00 0.00 C ATOM 243 C PRO A 21 7.996 -6.519 4.155 1.00 0.00 C ATOM 244 O PRO A 21 6.854 -6.792 4.524 1.00 0.00 O ATOM 245 CB PRO A 21 8.726 -5.052 2.253 1.00 0.00 C ATOM 246 CG PRO A 21 8.126 -4.874 0.901 1.00 0.00 C ATOM 247 CD PRO A 21 6.874 -5.703 0.895 1.00 0.00 C ATOM 0 HA PRO A 21 9.159 -7.198 2.548 1.00 0.00 H new ATOM 0 HB2 PRO A 21 8.335 -4.318 2.958 1.00 0.00 H new ATOM 0 HB3 PRO A 21 9.808 -4.922 2.225 1.00 0.00 H new ATOM 0 HG2 PRO A 21 7.901 -3.825 0.708 1.00 0.00 H new ATOM 0 HG3 PRO A 21 8.815 -5.201 0.122 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.010 -5.132 1.236 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.639 -6.071 -0.104 1.00 0.00 H new ATOM 255 N GLU A 22 8.984 -6.244 5.000 1.00 0.00 N ATOM 256 CA GLU A 22 8.778 -6.247 6.443 1.00 0.00 C ATOM 257 C GLU A 22 8.404 -4.855 6.942 1.00 0.00 C ATOM 258 O GLU A 22 7.648 -4.709 7.902 1.00 0.00 O ATOM 259 CB GLU A 22 10.038 -6.738 7.159 1.00 0.00 C ATOM 260 CG GLU A 22 9.753 -7.705 8.298 1.00 0.00 C ATOM 261 CD GLU A 22 10.154 -9.130 7.969 1.00 0.00 C ATOM 262 OE1 GLU A 22 9.663 -9.666 6.952 1.00 0.00 O ATOM 263 OE2 GLU A 22 10.961 -9.709 8.725 1.00 0.00 O ATOM 0 H GLU A 22 9.935 -6.016 4.710 1.00 0.00 H new ATOM 0 HA GLU A 22 7.955 -6.926 6.666 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.691 -7.225 6.435 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.582 -5.878 7.551 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.288 -7.378 9.190 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.690 -7.677 8.536 1.00 0.00 H new ATOM 270 N TRP A 23 8.939 -3.834 6.279 1.00 0.00 N ATOM 271 CA TRP A 23 8.663 -2.451 6.652 1.00 0.00 C ATOM 272 C TRP A 23 7.232 -2.064 6.294 1.00 0.00 C ATOM 273 O TRP A 23 6.643 -1.179 6.916 1.00 0.00 O ATOM 274 CB TRP A 23 9.647 -1.508 5.958 1.00 0.00 C ATOM 275 CG TRP A 23 9.719 -1.711 4.476 1.00 0.00 C ATOM 276 CD1 TRP A 23 10.717 -2.332 3.781 1.00 0.00 C ATOM 277 CD2 TRP A 23 8.753 -1.291 3.505 1.00 0.00 C ATOM 278 NE1 TRP A 23 10.432 -2.324 2.437 1.00 0.00 N ATOM 279 CE2 TRP A 23 9.231 -1.691 2.242 1.00 0.00 C ATOM 280 CE3 TRP A 23 7.532 -0.617 3.579 1.00 0.00 C ATOM 281 CZ2 TRP A 23 8.530 -1.438 1.066 1.00 0.00 C ATOM 282 CZ3 TRP A 23 6.836 -0.367 2.411 1.00 0.00 C ATOM 283 CH2 TRP A 23 7.336 -0.777 1.169 1.00 0.00 C ATOM 0 H TRP A 23 9.566 -3.938 5.481 1.00 0.00 H new ATOM 0 HA TRP A 23 8.784 -2.362 7.732 1.00 0.00 H new ATOM 0 HB2 TRP A 23 9.357 -0.477 6.163 1.00 0.00 H new ATOM 0 HB3 TRP A 23 10.639 -1.651 6.386 1.00 0.00 H new ATOM 0 HD1 TRP A 23 11.601 -2.766 4.223 1.00 0.00 H new ATOM 0 HE1 TRP A 23 11.018 -2.724 1.704 1.00 0.00 H new ATOM 0 HE3 TRP A 23 7.138 -0.297 4.532 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 8.915 -1.752 0.107 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 5.891 0.153 2.457 1.00 0.00 H new ATOM 0 HH2 TRP A 23 6.768 -0.567 0.275 1.00 0.00 H new ATOM 294 N LEU A 24 6.675 -2.731 5.287 1.00 0.00 N ATOM 295 CA LEU A 24 5.312 -2.455 4.847 1.00 0.00 C ATOM 296 C LEU A 24 4.302 -2.866 5.913 1.00 0.00 C ATOM 297 O LEU A 24 4.099 -4.055 6.164 1.00 0.00 O ATOM 298 CB LEU A 24 5.018 -3.188 3.537 1.00 0.00 C ATOM 299 CG LEU A 24 3.627 -2.937 2.953 1.00 0.00 C ATOM 300 CD1 LEU A 24 3.495 -1.496 2.489 1.00 0.00 C ATOM 301 CD2 LEU A 24 3.351 -3.896 1.804 1.00 0.00 C ATOM 0 H LEU A 24 7.147 -3.466 4.761 1.00 0.00 H new ATOM 0 HA LEU A 24 5.221 -1.381 4.682 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.764 -2.894 2.799 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.138 -4.259 3.703 1.00 0.00 H new ATOM 0 HG LEU A 24 2.888 -3.114 3.735 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.499 -1.336 2.077 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.649 -0.826 3.335 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.242 -1.291 1.722 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.357 -3.704 1.400 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.095 -3.750 1.021 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.403 -4.923 2.167 1.00 0.00 H new ATOM 313 N ARG A 25 3.670 -1.877 6.536 1.00 0.00 N ATOM 314 CA ARG A 25 2.679 -2.137 7.574 1.00 0.00 C ATOM 315 C ARG A 25 1.877 -0.878 7.887 1.00 0.00 C ATOM 316 O ARG A 25 2.162 0.198 7.363 1.00 0.00 O ATOM 317 CB ARG A 25 3.362 -2.650 8.844 1.00 0.00 C ATOM 318 CG ARG A 25 4.540 -1.799 9.287 1.00 0.00 C ATOM 319 CD ARG A 25 5.034 -2.206 10.666 1.00 0.00 C ATOM 320 NE ARG A 25 5.384 -1.050 11.487 1.00 0.00 N ATOM 321 CZ ARG A 25 5.539 -1.098 12.808 1.00 0.00 C ATOM 322 NH1 ARG A 25 5.379 -2.242 13.461 1.00 0.00 N ATOM 323 NH2 ARG A 25 5.858 0.001 13.478 1.00 0.00 N ATOM 0 H ARG A 25 3.826 -0.888 6.340 1.00 0.00 H new ATOM 0 HA ARG A 25 1.994 -2.900 7.205 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.629 -2.689 9.650 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.705 -3.671 8.675 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.351 -1.895 8.566 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.247 -0.749 9.299 1.00 0.00 H new ATOM 0 HD2 ARG A 25 4.262 -2.788 11.170 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.905 -2.854 10.562 1.00 0.00 H new ATOM 0 HE ARG A 25 5.518 -0.153 11.020 1.00 0.00 H new ATOM 0 HH11 ARG A 25 5.136 -3.091 12.951 1.00 0.00 H new ATOM 0 HH12 ARG A 25 5.499 -2.272 14.473 1.00 0.00 H new ATOM 0 HH21 ARG A 25 5.984 0.883 12.981 1.00 0.00 H new ATOM 0 HH22 ARG A 25 5.977 -0.035 14.490 1.00 0.00 H new ATOM 337 N GLU A 26 0.870 -1.022 8.743 1.00 0.00 N ATOM 338 CA GLU A 26 0.026 0.104 9.126 1.00 0.00 C ATOM 339 C GLU A 26 0.854 1.211 9.773 1.00 0.00 C ATOM 340 O GLU A 26 1.715 0.946 10.612 1.00 0.00 O ATOM 341 CB GLU A 26 -1.070 -0.357 10.088 1.00 0.00 C ATOM 342 CG GLU A 26 -2.061 -1.324 9.461 1.00 0.00 C ATOM 343 CD GLU A 26 -1.999 -2.707 10.080 1.00 0.00 C ATOM 344 OE1 GLU A 26 -1.646 -2.808 11.273 1.00 0.00 O ATOM 345 OE2 GLU A 26 -2.305 -3.689 9.371 1.00 0.00 O ATOM 0 H GLU A 26 0.619 -1.907 9.184 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.436 0.502 8.223 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.607 -0.833 10.952 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.610 0.516 10.456 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.070 -0.926 9.570 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.862 -1.399 8.392 1.00 0.00 H new ATOM 352 N GLY A 27 0.586 2.451 9.378 1.00 0.00 N ATOM 353 CA GLY A 27 1.313 3.579 9.929 1.00 0.00 C ATOM 354 C GLY A 27 2.675 3.760 9.289 1.00 0.00 C ATOM 355 O GLY A 27 3.605 4.256 9.924 1.00 0.00 O ATOM 0 H GLY A 27 -0.122 2.695 8.686 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.727 4.487 9.791 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.435 3.439 11.003 1.00 0.00 H new ATOM 359 N GLU A 28 2.792 3.358 8.028 1.00 0.00 N ATOM 360 CA GLU A 28 4.050 3.477 7.300 1.00 0.00 C ATOM 361 C GLU A 28 3.852 4.239 5.993 1.00 0.00 C ATOM 362 O GLU A 28 2.945 3.934 5.218 1.00 0.00 O ATOM 363 CB GLU A 28 4.633 2.090 7.017 1.00 0.00 C ATOM 364 CG GLU A 28 6.096 1.954 7.408 1.00 0.00 C ATOM 365 CD GLU A 28 6.292 1.862 8.908 1.00 0.00 C ATOM 366 OE1 GLU A 28 5.519 2.505 9.649 1.00 0.00 O ATOM 367 OE2 GLU A 28 7.219 1.146 9.343 1.00 0.00 O ATOM 0 H GLU A 28 2.030 2.947 7.489 1.00 0.00 H new ATOM 0 HA GLU A 28 4.750 4.036 7.921 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.050 1.343 7.556 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.527 1.870 5.955 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.513 1.065 6.936 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.652 2.810 7.024 1.00 0.00 H new ATOM 374 N PHE A 29 4.705 5.228 5.755 1.00 0.00 N ATOM 375 CA PHE A 29 4.623 6.033 4.542 1.00 0.00 C ATOM 376 C PHE A 29 5.142 5.255 3.336 1.00 0.00 C ATOM 377 O PHE A 29 6.163 4.573 3.418 1.00 0.00 O ATOM 378 CB PHE A 29 5.421 7.328 4.708 1.00 0.00 C ATOM 379 CG PHE A 29 4.625 8.450 5.311 1.00 0.00 C ATOM 380 CD1 PHE A 29 3.595 9.047 4.601 1.00 0.00 C ATOM 381 CD2 PHE A 29 4.907 8.908 6.588 1.00 0.00 C ATOM 382 CE1 PHE A 29 2.861 10.079 5.154 1.00 0.00 C ATOM 383 CE2 PHE A 29 4.177 9.940 7.145 1.00 0.00 C ATOM 384 CZ PHE A 29 3.152 10.527 6.427 1.00 0.00 C ATOM 0 H PHE A 29 5.462 5.492 6.386 1.00 0.00 H new ATOM 0 HA PHE A 29 3.575 6.279 4.371 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.290 7.132 5.336 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.796 7.642 3.734 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.363 8.702 3.604 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.706 8.453 7.154 1.00 0.00 H new ATOM 0 HE1 PHE A 29 2.060 10.535 4.591 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.407 10.288 8.141 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.580 11.334 6.861 1.00 0.00 H new ATOM 394 N VAL A 30 4.430 5.361 2.219 1.00 0.00 N ATOM 395 CA VAL A 30 4.819 4.668 0.998 1.00 0.00 C ATOM 396 C VAL A 30 4.411 5.462 -0.239 1.00 0.00 C ATOM 397 O VAL A 30 3.743 6.492 -0.134 1.00 0.00 O ATOM 398 CB VAL A 30 4.189 3.265 0.923 1.00 0.00 C ATOM 399 CG1 VAL A 30 4.798 2.349 1.974 1.00 0.00 C ATOM 400 CG2 VAL A 30 2.679 3.348 1.088 1.00 0.00 C ATOM 0 H VAL A 30 3.581 5.920 2.135 1.00 0.00 H new ATOM 0 HA VAL A 30 5.904 4.570 1.023 1.00 0.00 H new ATOM 0 HB VAL A 30 4.401 2.844 -0.060 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.340 1.362 1.906 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.871 2.264 1.804 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.619 2.764 2.966 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.251 2.347 1.032 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.443 3.790 2.056 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.260 3.966 0.294 1.00 0.00 H new ATOM 410 N THR A 31 4.817 4.978 -1.408 1.00 0.00 N ATOM 411 CA THR A 31 4.495 5.644 -2.664 1.00 0.00 C ATOM 412 C THR A 31 4.041 4.635 -3.714 1.00 0.00 C ATOM 413 O THR A 31 4.356 3.449 -3.626 1.00 0.00 O ATOM 414 CB THR A 31 5.707 6.422 -3.177 1.00 0.00 C ATOM 415 OG1 THR A 31 5.450 6.961 -4.462 1.00 0.00 O ATOM 416 CG2 THR A 31 6.960 5.580 -3.275 1.00 0.00 C ATOM 0 H THR A 31 5.370 4.127 -1.511 1.00 0.00 H new ATOM 0 HA THR A 31 3.677 6.340 -2.479 1.00 0.00 H new ATOM 0 HB THR A 31 5.875 7.211 -2.444 1.00 0.00 H new ATOM 0 HG1 THR A 31 6.237 7.457 -4.772 1.00 0.00 H new ATOM 0 HG21 THR A 31 7.782 6.193 -3.645 1.00 0.00 H new ATOM 0 HG22 THR A 31 7.214 5.189 -2.290 1.00 0.00 H new ATOM 0 HG23 THR A 31 6.788 4.750 -3.961 1.00 0.00 H new ATOM 424 N VAL A 32 3.300 5.115 -4.707 1.00 0.00 N ATOM 425 CA VAL A 32 2.802 4.256 -5.775 1.00 0.00 C ATOM 426 C VAL A 32 3.451 4.608 -7.110 1.00 0.00 C ATOM 427 O VAL A 32 3.906 3.729 -7.841 1.00 0.00 O ATOM 428 CB VAL A 32 1.273 4.364 -5.918 1.00 0.00 C ATOM 429 CG1 VAL A 32 0.752 3.320 -6.893 1.00 0.00 C ATOM 430 CG2 VAL A 32 0.598 4.223 -4.562 1.00 0.00 C ATOM 0 H VAL A 32 3.031 6.095 -4.794 1.00 0.00 H new ATOM 0 HA VAL A 32 3.062 3.233 -5.504 1.00 0.00 H new ATOM 0 HB VAL A 32 1.033 5.350 -6.316 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.331 3.412 -6.981 1.00 0.00 H new ATOM 0 HG12 VAL A 32 1.210 3.474 -7.870 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.003 2.324 -6.528 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.482 4.302 -4.683 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.845 3.252 -4.132 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.947 5.014 -3.898 1.00 0.00 H new ATOM 496 N THR A 37 1.733 9.595 -3.527 1.00 0.00 N ATOM 497 CA THR A 37 2.141 8.932 -2.294 1.00 0.00 C ATOM 498 C THR A 37 0.945 8.704 -1.377 1.00 0.00 C ATOM 499 O THR A 37 -0.083 9.370 -1.502 1.00 0.00 O ATOM 500 CB THR A 37 3.203 9.759 -1.569 1.00 0.00 C ATOM 501 OG1 THR A 37 2.771 11.099 -1.401 1.00 0.00 O ATOM 502 CG2 THR A 37 4.533 9.790 -2.290 1.00 0.00 C ATOM 0 HA THR A 37 2.565 7.963 -2.558 1.00 0.00 H new ATOM 0 HB THR A 37 3.342 9.268 -0.606 1.00 0.00 H new ATOM 0 HG1 THR A 37 2.090 11.310 -2.074 1.00 0.00 H new ATOM 0 HG21 THR A 37 5.241 10.394 -1.722 1.00 0.00 H new ATOM 0 HG22 THR A 37 4.918 8.775 -2.387 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.400 10.224 -3.281 1.00 0.00 H new ATOM 510 N GLY A 38 1.085 7.757 -0.454 1.00 0.00 N ATOM 511 CA GLY A 38 0.009 7.457 0.472 1.00 0.00 C ATOM 512 C GLY A 38 0.471 6.607 1.639 1.00 0.00 C ATOM 513 O GLY A 38 1.427 5.841 1.519 1.00 0.00 O ATOM 0 H GLY A 38 1.925 7.192 -0.331 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.412 8.389 0.849 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.789 6.938 -0.059 1.00 0.00 H new ATOM 517 N VAL A 39 -0.210 6.742 2.773 1.00 0.00 N ATOM 518 CA VAL A 39 0.136 5.980 3.967 1.00 0.00 C ATOM 519 C VAL A 39 -0.611 4.651 4.006 1.00 0.00 C ATOM 520 O VAL A 39 -1.704 4.525 3.455 1.00 0.00 O ATOM 521 CB VAL A 39 -0.182 6.772 5.249 1.00 0.00 C ATOM 522 CG1 VAL A 39 0.365 6.050 6.472 1.00 0.00 C ATOM 523 CG2 VAL A 39 0.378 8.183 5.159 1.00 0.00 C ATOM 0 H VAL A 39 -1.004 7.372 2.890 1.00 0.00 H new ATOM 0 HA VAL A 39 1.208 5.790 3.922 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.265 6.842 5.351 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.131 6.624 7.368 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.090 5.062 6.545 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.446 5.946 6.380 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.143 8.727 6.074 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.460 8.138 5.031 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.067 8.697 4.307 1.00 0.00 H new ATOM 533 N VAL A 40 -0.012 3.662 4.660 1.00 0.00 N ATOM 534 CA VAL A 40 -0.618 2.341 4.772 1.00 0.00 C ATOM 535 C VAL A 40 -1.634 2.297 5.908 1.00 0.00 C ATOM 536 O VAL A 40 -1.312 2.612 7.054 1.00 0.00 O ATOM 537 CB VAL A 40 0.445 1.251 5.007 1.00 0.00 C ATOM 538 CG1 VAL A 40 -0.184 -0.134 4.954 1.00 0.00 C ATOM 539 CG2 VAL A 40 1.569 1.376 3.989 1.00 0.00 C ATOM 0 H VAL A 40 0.894 3.751 5.121 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.124 2.145 3.827 1.00 0.00 H new ATOM 0 HB VAL A 40 0.868 1.391 6.002 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.584 -0.889 5.122 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.949 -0.216 5.726 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.638 -0.290 3.975 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.311 0.598 4.169 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.163 1.264 2.984 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.039 2.355 4.084 1.00 0.00 H new ATOM 549 N ARG A 41 -2.862 1.905 5.583 1.00 0.00 N ATOM 550 CA ARG A 41 -3.926 1.820 6.578 1.00 0.00 C ATOM 551 C ARG A 41 -4.316 0.367 6.834 1.00 0.00 C ATOM 552 O ARG A 41 -4.694 0.003 7.947 1.00 0.00 O ATOM 553 CB ARG A 41 -5.149 2.614 6.117 1.00 0.00 C ATOM 554 CG ARG A 41 -4.907 4.113 6.040 1.00 0.00 C ATOM 555 CD ARG A 41 -4.539 4.688 7.399 1.00 0.00 C ATOM 556 NE ARG A 41 -4.357 6.136 7.350 1.00 0.00 N ATOM 557 CZ ARG A 41 -3.706 6.833 8.279 1.00 0.00 C ATOM 558 NH1 ARG A 41 -3.176 6.220 9.329 1.00 0.00 N ATOM 559 NH2 ARG A 41 -3.586 8.148 8.156 1.00 0.00 N ATOM 0 H ARG A 41 -3.145 1.641 4.639 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.554 2.248 7.509 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.457 2.253 5.136 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.975 2.422 6.801 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -4.107 4.318 5.328 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.802 4.608 5.664 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.321 4.445 8.119 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -3.621 4.219 7.754 1.00 0.00 H new ATOM 0 HE ARG A 41 -4.752 6.643 6.558 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.266 5.209 9.428 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -2.678 6.760 10.037 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -3.992 8.624 7.351 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -3.088 8.683 8.867 1.00 0.00 H new ATOM 573 N TYR A 42 -4.221 -0.458 5.797 1.00 0.00 N ATOM 574 CA TYR A 42 -4.563 -1.870 5.910 1.00 0.00 C ATOM 575 C TYR A 42 -3.577 -2.734 5.131 1.00 0.00 C ATOM 576 O TYR A 42 -3.043 -2.313 4.104 1.00 0.00 O ATOM 577 CB TYR A 42 -5.985 -2.114 5.399 1.00 0.00 C ATOM 578 CG TYR A 42 -6.627 -3.361 5.964 1.00 0.00 C ATOM 579 CD1 TYR A 42 -6.889 -3.475 7.324 1.00 0.00 C ATOM 580 CD2 TYR A 42 -6.970 -4.423 5.137 1.00 0.00 C ATOM 581 CE1 TYR A 42 -7.476 -4.614 7.843 1.00 0.00 C ATOM 582 CE2 TYR A 42 -7.557 -5.564 5.649 1.00 0.00 C ATOM 583 CZ TYR A 42 -7.808 -5.655 7.002 1.00 0.00 C ATOM 584 OH TYR A 42 -8.393 -6.790 7.516 1.00 0.00 O ATOM 0 H TYR A 42 -3.910 -0.173 4.869 1.00 0.00 H new ATOM 0 HA TYR A 42 -4.508 -2.147 6.963 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -6.604 -1.252 5.648 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -5.964 -2.188 4.312 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -6.630 -2.661 7.985 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -6.775 -4.356 4.077 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -7.674 -4.688 8.902 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -7.818 -6.381 4.993 1.00 0.00 H new ATOM 0 HH TYR A 42 -8.565 -7.427 6.791 1.00 0.00 H new ATOM 594 N VAL A 43 -3.337 -3.944 5.627 1.00 0.00 N ATOM 595 CA VAL A 43 -2.415 -4.868 4.977 1.00 0.00 C ATOM 596 C VAL A 43 -2.815 -6.316 5.235 1.00 0.00 C ATOM 597 O VAL A 43 -2.615 -6.840 6.331 1.00 0.00 O ATOM 598 CB VAL A 43 -0.970 -4.653 5.464 1.00 0.00 C ATOM 599 CG1 VAL A 43 0.002 -5.480 4.636 1.00 0.00 C ATOM 600 CG2 VAL A 43 -0.602 -3.178 5.412 1.00 0.00 C ATOM 0 H VAL A 43 -3.768 -4.307 6.477 1.00 0.00 H new ATOM 0 HA VAL A 43 -2.465 -4.665 3.907 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.903 -4.985 6.500 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.018 -5.315 4.995 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.248 -6.537 4.729 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.066 -5.182 3.590 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.423 -3.046 5.760 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.686 -2.818 4.387 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.278 -2.611 6.052 1.00 0.00 H new ATOM 610 N GLY A 44 -3.382 -6.958 4.218 1.00 0.00 N ATOM 611 CA GLY A 44 -3.801 -8.341 4.356 1.00 0.00 C ATOM 612 C GLY A 44 -4.435 -8.883 3.089 1.00 0.00 C ATOM 613 O GLY A 44 -4.701 -8.129 2.153 1.00 0.00 O ATOM 0 H GLY A 44 -3.559 -6.546 3.302 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -2.939 -8.954 4.619 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -4.512 -8.422 5.178 1.00 0.00 H new ATOM 617 N PRO A 45 -4.692 -10.202 3.028 1.00 0.00 N ATOM 618 CA PRO A 45 -5.302 -10.834 1.854 1.00 0.00 C ATOM 619 C PRO A 45 -6.766 -10.443 1.681 1.00 0.00 C ATOM 620 O PRO A 45 -7.354 -9.800 2.552 1.00 0.00 O ATOM 621 CB PRO A 45 -5.181 -12.330 2.151 1.00 0.00 C ATOM 622 CG PRO A 45 -5.123 -12.417 3.637 1.00 0.00 C ATOM 623 CD PRO A 45 -4.408 -11.177 4.098 1.00 0.00 C ATOM 0 HA PRO A 45 -4.814 -10.529 0.928 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -6.033 -12.883 1.755 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.286 -12.753 1.694 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -6.124 -12.471 4.064 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -4.592 -13.314 3.955 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.780 -10.834 5.063 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -3.338 -11.349 4.212 1.00 0.00 H new ATOM 631 N ALA A 46 -7.348 -10.834 0.552 1.00 0.00 N ATOM 632 CA ALA A 46 -8.744 -10.524 0.265 1.00 0.00 C ATOM 633 C ALA A 46 -9.551 -11.796 0.030 1.00 0.00 C ATOM 634 O ALA A 46 -9.000 -12.897 0.006 1.00 0.00 O ATOM 635 CB ALA A 46 -8.842 -9.604 -0.943 1.00 0.00 C ATOM 0 H ALA A 46 -6.875 -11.366 -0.179 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.163 -10.014 1.132 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.889 -9.381 -1.146 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.306 -8.677 -0.739 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.401 -10.094 -1.811 1.00 0.00 H new ATOM 641 N ASP A 47 -10.859 -11.638 -0.143 1.00 0.00 N ATOM 642 CA ASP A 47 -11.742 -12.775 -0.376 1.00 0.00 C ATOM 643 C ASP A 47 -12.282 -12.761 -1.803 1.00 0.00 C ATOM 644 O ASP A 47 -12.456 -13.811 -2.421 1.00 0.00 O ATOM 645 CB ASP A 47 -12.903 -12.758 0.621 1.00 0.00 C ATOM 646 CG ASP A 47 -13.393 -14.152 0.960 1.00 0.00 C ATOM 647 OD1 ASP A 47 -12.852 -14.757 1.909 1.00 0.00 O ATOM 648 OD2 ASP A 47 -14.318 -14.639 0.276 1.00 0.00 O ATOM 0 H ASP A 47 -11.331 -10.734 -0.126 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.163 -13.688 -0.234 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -12.587 -12.255 1.535 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -13.727 -12.177 0.206 1.00 0.00 H new ATOM 653 N PHE A 48 -12.544 -11.565 -2.319 1.00 0.00 N ATOM 654 CA PHE A 48 -13.065 -11.415 -3.672 1.00 0.00 C ATOM 655 C PHE A 48 -11.980 -11.701 -4.706 1.00 0.00 C ATOM 656 O PHE A 48 -12.247 -12.295 -5.752 1.00 0.00 O ATOM 657 CB PHE A 48 -13.618 -10.004 -3.874 1.00 0.00 C ATOM 658 CG PHE A 48 -12.582 -8.926 -3.731 1.00 0.00 C ATOM 659 CD1 PHE A 48 -12.307 -8.372 -2.490 1.00 0.00 C ATOM 660 CD2 PHE A 48 -11.883 -8.466 -4.835 1.00 0.00 C ATOM 661 CE1 PHE A 48 -11.355 -7.380 -2.355 1.00 0.00 C ATOM 662 CE2 PHE A 48 -10.930 -7.475 -4.706 1.00 0.00 C ATOM 663 CZ PHE A 48 -10.665 -6.930 -3.464 1.00 0.00 C ATOM 0 H PHE A 48 -12.404 -10.686 -1.821 1.00 0.00 H new ATOM 0 HA PHE A 48 -13.871 -12.136 -3.807 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -14.066 -9.937 -4.866 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -14.415 -9.828 -3.152 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -12.843 -8.720 -1.619 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -12.086 -8.888 -5.808 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -11.150 -6.956 -1.383 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -10.392 -7.126 -5.575 1.00 0.00 H new ATOM 0 HZ PHE A 48 -9.921 -6.154 -3.361 1.00 0.00 H new ATOM 673 N GLN A 49 -10.758 -11.276 -4.407 1.00 0.00 N ATOM 674 CA GLN A 49 -9.632 -11.487 -5.311 1.00 0.00 C ATOM 675 C GLN A 49 -8.491 -12.208 -4.600 1.00 0.00 C ATOM 676 O GLN A 49 -8.591 -12.533 -3.416 1.00 0.00 O ATOM 677 CB GLN A 49 -9.138 -10.148 -5.865 1.00 0.00 C ATOM 678 CG GLN A 49 -9.796 -9.754 -7.177 1.00 0.00 C ATOM 679 CD GLN A 49 -9.350 -10.624 -8.337 1.00 0.00 C ATOM 680 OE1 GLN A 49 -8.976 -11.781 -8.151 1.00 0.00 O ATOM 681 NE2 GLN A 49 -9.387 -10.067 -9.542 1.00 0.00 N ATOM 0 H GLN A 49 -10.521 -10.783 -3.546 1.00 0.00 H new ATOM 0 HA GLN A 49 -9.973 -12.111 -6.137 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -9.323 -9.368 -5.126 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -8.059 -10.200 -6.010 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -10.879 -9.823 -7.071 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -9.563 -8.712 -7.398 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -9.705 -9.104 -9.649 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -9.098 -10.603 -10.361 1.00 0.00 H new ATOM 690 N GLU A 50 -7.408 -12.456 -5.329 1.00 0.00 N ATOM 691 CA GLU A 50 -6.249 -13.139 -4.768 1.00 0.00 C ATOM 692 C GLU A 50 -5.074 -12.177 -4.610 1.00 0.00 C ATOM 693 O GLU A 50 -5.107 -11.055 -5.116 1.00 0.00 O ATOM 694 CB GLU A 50 -5.845 -14.316 -5.658 1.00 0.00 C ATOM 695 CG GLU A 50 -6.318 -15.663 -5.135 1.00 0.00 C ATOM 696 CD GLU A 50 -7.766 -15.946 -5.482 1.00 0.00 C ATOM 697 OE1 GLU A 50 -8.658 -15.387 -4.809 1.00 0.00 O ATOM 698 OE2 GLU A 50 -8.010 -16.726 -6.427 1.00 0.00 O ATOM 0 H GLU A 50 -7.309 -12.194 -6.310 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.521 -13.515 -3.782 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.250 -14.161 -6.658 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.759 -14.333 -5.753 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.688 -16.451 -5.548 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.195 -15.692 -4.052 1.00 0.00 H new ATOM 705 N GLY A 51 -4.040 -12.623 -3.906 1.00 0.00 N ATOM 706 CA GLY A 51 -2.872 -11.790 -3.694 1.00 0.00 C ATOM 707 C GLY A 51 -3.034 -10.851 -2.514 1.00 0.00 C ATOM 708 O GLY A 51 -4.152 -10.590 -2.071 1.00 0.00 O ATOM 0 H GLY A 51 -3.990 -13.548 -3.478 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.001 -12.425 -3.532 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.678 -11.207 -4.594 1.00 0.00 H new ATOM 712 N THR A 52 -1.916 -10.345 -2.006 1.00 0.00 N ATOM 713 CA THR A 52 -1.938 -9.430 -0.871 1.00 0.00 C ATOM 714 C THR A 52 -2.365 -8.032 -1.307 1.00 0.00 C ATOM 715 O THR A 52 -2.069 -7.601 -2.422 1.00 0.00 O ATOM 716 CB THR A 52 -0.561 -9.372 -0.209 1.00 0.00 C ATOM 717 OG1 THR A 52 0.172 -10.555 -0.472 1.00 0.00 O ATOM 718 CG2 THR A 52 -0.626 -9.197 1.292 1.00 0.00 C ATOM 0 H THR A 52 -0.983 -10.553 -2.362 1.00 0.00 H new ATOM 0 HA THR A 52 -2.665 -9.804 -0.150 1.00 0.00 H new ATOM 0 HB THR A 52 -0.070 -8.499 -0.640 1.00 0.00 H new ATOM 0 HG1 THR A 52 0.888 -10.650 0.190 1.00 0.00 H new ATOM 0 HG21 THR A 52 0.385 -9.164 1.699 1.00 0.00 H new ATOM 0 HG22 THR A 52 -1.143 -8.267 1.528 1.00 0.00 H new ATOM 0 HG23 THR A 52 -1.167 -10.034 1.733 1.00 0.00 H new ATOM 726 N TRP A 53 -3.061 -7.328 -0.421 1.00 0.00 N ATOM 727 CA TRP A 53 -3.528 -5.978 -0.715 1.00 0.00 C ATOM 728 C TRP A 53 -3.073 -4.998 0.361 1.00 0.00 C ATOM 729 O TRP A 53 -2.857 -5.380 1.512 1.00 0.00 O ATOM 730 CB TRP A 53 -5.053 -5.957 -0.828 1.00 0.00 C ATOM 731 CG TRP A 53 -5.570 -6.678 -2.035 1.00 0.00 C ATOM 732 CD1 TRP A 53 -6.140 -7.918 -2.068 1.00 0.00 C ATOM 733 CD2 TRP A 53 -5.564 -6.202 -3.386 1.00 0.00 C ATOM 734 NE1 TRP A 53 -6.489 -8.243 -3.356 1.00 0.00 N ATOM 735 CE2 TRP A 53 -6.145 -7.206 -4.184 1.00 0.00 C ATOM 736 CE3 TRP A 53 -5.123 -5.025 -3.999 1.00 0.00 C ATOM 737 CZ2 TRP A 53 -6.296 -7.068 -5.562 1.00 0.00 C ATOM 738 CZ3 TRP A 53 -5.275 -4.890 -5.366 1.00 0.00 C ATOM 739 CH2 TRP A 53 -5.858 -5.906 -6.134 1.00 0.00 C ATOM 0 H TRP A 53 -3.314 -7.669 0.506 1.00 0.00 H new ATOM 0 HA TRP A 53 -3.095 -5.670 -1.667 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -5.482 -6.407 0.067 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -5.393 -4.922 -0.859 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -6.294 -8.551 -1.207 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -6.932 -9.114 -3.649 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -4.672 -4.236 -3.415 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -6.743 -7.851 -6.157 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -4.938 -3.985 -5.851 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -5.964 -5.769 -7.200 1.00 0.00 H new ATOM 750 N VAL A 54 -2.928 -3.734 -0.021 1.00 0.00 N ATOM 751 CA VAL A 54 -2.498 -2.698 0.911 1.00 0.00 C ATOM 752 C VAL A 54 -3.377 -1.458 0.798 1.00 0.00 C ATOM 753 O VAL A 54 -3.295 -0.713 -0.179 1.00 0.00 O ATOM 754 CB VAL A 54 -1.031 -2.297 0.665 1.00 0.00 C ATOM 755 CG1 VAL A 54 -0.540 -1.361 1.758 1.00 0.00 C ATOM 756 CG2 VAL A 54 -0.147 -3.532 0.574 1.00 0.00 C ATOM 0 H VAL A 54 -3.102 -3.402 -0.970 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.591 -3.115 1.914 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.975 -1.767 -0.286 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.498 -1.090 1.566 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.154 -0.461 1.769 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.611 -1.861 2.724 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.885 -3.228 0.400 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.208 -4.093 1.507 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.484 -4.161 -0.250 1.00 0.00 H new ATOM 766 N GLY A 55 -4.220 -1.242 1.803 1.00 0.00 N ATOM 767 CA GLY A 55 -5.103 -0.092 1.796 1.00 0.00 C ATOM 768 C GLY A 55 -4.357 1.214 1.990 1.00 0.00 C ATOM 769 O GLY A 55 -4.200 1.685 3.117 1.00 0.00 O ATOM 0 H GLY A 55 -4.307 -1.844 2.622 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.645 -0.060 0.851 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.846 -0.203 2.586 1.00 0.00 H new ATOM 773 N VAL A 56 -3.895 1.798 0.889 1.00 0.00 N ATOM 774 CA VAL A 56 -3.161 3.057 0.943 1.00 0.00 C ATOM 775 C VAL A 56 -4.113 4.244 1.051 1.00 0.00 C ATOM 776 O VAL A 56 -5.120 4.311 0.347 1.00 0.00 O ATOM 777 CB VAL A 56 -2.270 3.241 -0.299 1.00 0.00 C ATOM 778 CG1 VAL A 56 -1.365 4.453 -0.135 1.00 0.00 C ATOM 779 CG2 VAL A 56 -1.450 1.986 -0.560 1.00 0.00 C ATOM 0 H VAL A 56 -4.016 1.420 -0.051 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.530 3.018 1.831 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.914 3.412 -1.161 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.743 4.566 -1.023 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.974 5.347 -0.003 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.728 4.316 0.739 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.827 2.135 -1.442 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.816 1.780 0.302 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.119 1.142 -0.728 1.00 0.00 H new ATOM 789 N GLU A 57 -3.786 5.178 1.938 1.00 0.00 N ATOM 790 CA GLU A 57 -4.612 6.363 2.138 1.00 0.00 C ATOM 791 C GLU A 57 -4.054 7.552 1.362 1.00 0.00 C ATOM 792 O GLU A 57 -3.037 8.132 1.742 1.00 0.00 O ATOM 793 CB GLU A 57 -4.698 6.705 3.627 1.00 0.00 C ATOM 794 CG GLU A 57 -5.885 7.587 3.981 1.00 0.00 C ATOM 795 CD GLU A 57 -5.478 9.011 4.303 1.00 0.00 C ATOM 796 OE1 GLU A 57 -4.580 9.194 5.150 1.00 0.00 O ATOM 797 OE2 GLU A 57 -6.058 9.943 3.707 1.00 0.00 O ATOM 0 H GLU A 57 -2.956 5.137 2.529 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.613 6.146 1.764 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.759 5.780 4.201 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.779 7.208 3.930 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.589 7.594 3.149 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.408 7.160 4.837 1.00 0.00 H new ATOM 804 N LEU A 58 -4.727 7.909 0.273 1.00 0.00 N ATOM 805 CA LEU A 58 -4.298 9.029 -0.557 1.00 0.00 C ATOM 806 C LEU A 58 -4.637 10.359 0.107 1.00 0.00 C ATOM 807 O LEU A 58 -5.671 10.493 0.762 1.00 0.00 O ATOM 808 CB LEU A 58 -4.959 8.951 -1.935 1.00 0.00 C ATOM 809 CG LEU A 58 -4.613 7.704 -2.750 1.00 0.00 C ATOM 810 CD1 LEU A 58 -5.507 7.603 -3.976 1.00 0.00 C ATOM 811 CD2 LEU A 58 -3.147 7.724 -3.157 1.00 0.00 C ATOM 0 H LEU A 58 -5.571 7.439 -0.055 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.216 8.968 -0.676 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.040 8.993 -1.805 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.673 9.832 -2.509 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.785 6.826 -2.127 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.246 6.710 -4.544 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.549 7.542 -3.662 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -5.367 8.484 -4.602 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.918 6.829 -3.736 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.949 8.609 -3.762 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.522 7.748 -2.264 1.00 0.00 H new ATOM 823 N ASP A 59 -3.757 11.341 -0.065 1.00 0.00 N ATOM 824 CA ASP A 59 -3.961 12.662 0.517 1.00 0.00 C ATOM 825 C ASP A 59 -5.113 13.388 -0.170 1.00 0.00 C ATOM 826 O ASP A 59 -5.825 14.175 0.454 1.00 0.00 O ATOM 827 CB ASP A 59 -2.682 13.494 0.409 1.00 0.00 C ATOM 828 CG ASP A 59 -1.542 12.908 1.219 1.00 0.00 C ATOM 829 OD1 ASP A 59 -1.095 11.788 0.892 1.00 0.00 O ATOM 830 OD2 ASP A 59 -1.095 13.570 2.181 1.00 0.00 O ATOM 0 H ASP A 59 -2.896 11.246 -0.603 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.213 12.532 1.569 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.383 13.562 -0.637 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.882 14.510 0.750 1.00 0.00 H new ATOM 835 N LEU A 60 -5.289 13.119 -1.460 1.00 0.00 N ATOM 836 CA LEU A 60 -6.354 13.747 -2.233 1.00 0.00 C ATOM 837 C LEU A 60 -7.406 12.720 -2.647 1.00 0.00 C ATOM 838 O LEU A 60 -7.114 11.529 -2.753 1.00 0.00 O ATOM 839 CB LEU A 60 -5.777 14.429 -3.475 1.00 0.00 C ATOM 840 CG LEU A 60 -5.166 15.809 -3.233 1.00 0.00 C ATOM 841 CD1 LEU A 60 -4.360 16.256 -4.442 1.00 0.00 C ATOM 842 CD2 LEU A 60 -6.255 16.824 -2.912 1.00 0.00 C ATOM 0 H LEU A 60 -4.708 12.471 -1.991 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.832 14.497 -1.602 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.013 13.781 -3.904 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.568 14.525 -4.218 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.493 15.743 -2.378 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.933 17.240 -4.251 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.558 15.542 -4.628 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.011 16.306 -5.315 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.803 17.801 -2.742 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.952 16.887 -3.748 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.791 16.512 -2.016 1.00 0.00 H new ATOM 854 N PRO A 61 -8.648 13.172 -2.888 1.00 0.00 N ATOM 855 CA PRO A 61 -9.745 12.286 -3.293 1.00 0.00 C ATOM 856 C PRO A 61 -9.572 11.769 -4.717 1.00 0.00 C ATOM 857 O PRO A 61 -10.197 12.272 -5.652 1.00 0.00 O ATOM 858 CB PRO A 61 -10.979 13.183 -3.195 1.00 0.00 C ATOM 859 CG PRO A 61 -10.458 14.565 -3.391 1.00 0.00 C ATOM 860 CD PRO A 61 -9.082 14.579 -2.787 1.00 0.00 C ATOM 0 HA PRO A 61 -9.802 11.393 -2.670 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -11.717 12.926 -3.955 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -11.469 13.078 -2.227 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -10.422 14.822 -4.450 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -11.104 15.298 -2.907 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -8.412 15.246 -3.330 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.101 14.920 -1.752 1.00 0.00 H new ATOM 868 N SER A 62 -8.719 10.761 -4.877 1.00 0.00 N ATOM 869 CA SER A 62 -8.464 10.177 -6.188 1.00 0.00 C ATOM 870 C SER A 62 -8.550 8.655 -6.132 1.00 0.00 C ATOM 871 O SER A 62 -7.851 7.957 -6.867 1.00 0.00 O ATOM 872 CB SER A 62 -7.085 10.602 -6.699 1.00 0.00 C ATOM 873 OG SER A 62 -7.115 11.924 -7.208 1.00 0.00 O ATOM 0 H SER A 62 -8.194 10.333 -4.115 1.00 0.00 H new ATOM 0 HA SER A 62 -9.228 10.541 -6.875 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.358 10.537 -5.890 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.756 9.916 -7.479 1.00 0.00 H new ATOM 0 HG SER A 62 -6.222 12.172 -7.526 1.00 0.00 H new ATOM 879 N GLY A 63 -9.412 8.148 -5.258 1.00 0.00 N ATOM 880 CA GLY A 63 -9.573 6.712 -5.124 1.00 0.00 C ATOM 881 C GLY A 63 -10.875 6.217 -5.721 1.00 0.00 C ATOM 882 O GLY A 63 -11.494 6.904 -6.534 1.00 0.00 O ATOM 0 H GLY A 63 -10.002 8.705 -4.640 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -8.738 6.209 -5.612 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.535 6.442 -4.069 1.00 0.00 H new ATOM 886 N LYS A 64 -11.293 5.022 -5.317 1.00 0.00 N ATOM 887 CA LYS A 64 -12.532 4.435 -5.817 1.00 0.00 C ATOM 888 C LYS A 64 -13.370 3.878 -4.671 1.00 0.00 C ATOM 889 O LYS A 64 -14.573 4.125 -4.592 1.00 0.00 O ATOM 890 CB LYS A 64 -12.224 3.327 -6.826 1.00 0.00 C ATOM 891 CG LYS A 64 -12.193 3.808 -8.268 1.00 0.00 C ATOM 892 CD LYS A 64 -11.433 2.841 -9.162 1.00 0.00 C ATOM 893 CE LYS A 64 -12.378 1.927 -9.924 1.00 0.00 C ATOM 894 NZ LYS A 64 -12.797 0.753 -9.107 1.00 0.00 N ATOM 0 H LYS A 64 -10.792 4.441 -4.645 1.00 0.00 H new ATOM 0 HA LYS A 64 -13.104 5.219 -6.313 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -11.261 2.881 -6.580 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -12.973 2.541 -6.730 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -13.212 3.921 -8.637 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -11.726 4.792 -8.315 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -10.820 3.402 -9.867 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -10.754 2.241 -8.556 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -13.260 2.490 -10.229 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -11.891 1.580 -10.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -13.386 0.120 -9.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -11.954 0.239 -8.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -13.344 1.080 -8.285 1.00 0.00 H new ATOM 908 N ASN A 65 -12.725 3.126 -3.784 1.00 0.00 N ATOM 909 CA ASN A 65 -13.412 2.536 -2.641 1.00 0.00 C ATOM 910 C ASN A 65 -13.335 3.454 -1.427 1.00 0.00 C ATOM 911 O ASN A 65 -12.267 3.961 -1.085 1.00 0.00 O ATOM 912 CB ASN A 65 -12.803 1.173 -2.303 1.00 0.00 C ATOM 913 CG ASN A 65 -12.809 0.226 -3.487 1.00 0.00 C ATOM 914 OD1 ASN A 65 -13.843 -0.350 -3.830 1.00 0.00 O ATOM 915 ND2 ASN A 65 -11.654 0.059 -4.117 1.00 0.00 N ATOM 0 H ASN A 65 -11.729 2.911 -3.835 1.00 0.00 H new ATOM 0 HA ASN A 65 -14.461 2.403 -2.907 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -11.778 1.312 -1.958 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -13.359 0.724 -1.480 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -11.597 -0.567 -4.920 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -10.823 0.557 -3.798 1.00 0.00 H new ATOM 922 N ASP A 66 -14.476 3.664 -0.777 1.00 0.00 N ATOM 923 CA ASP A 66 -14.537 4.522 0.401 1.00 0.00 C ATOM 924 C ASP A 66 -14.199 3.736 1.665 1.00 0.00 C ATOM 925 O ASP A 66 -14.983 3.697 2.614 1.00 0.00 O ATOM 926 CB ASP A 66 -15.928 5.147 0.528 1.00 0.00 C ATOM 927 CG ASP A 66 -16.368 5.843 -0.746 1.00 0.00 C ATOM 928 OD1 ASP A 66 -15.492 6.198 -1.561 1.00 0.00 O ATOM 929 OD2 ASP A 66 -17.590 6.034 -0.926 1.00 0.00 O ATOM 0 H ASP A 66 -15.370 3.252 -1.046 1.00 0.00 H new ATOM 0 HA ASP A 66 -13.799 5.316 0.283 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -16.650 4.371 0.783 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -15.928 5.864 1.349 1.00 0.00 H new ATOM 934 N GLY A 67 -13.026 3.110 1.669 1.00 0.00 N ATOM 935 CA GLY A 67 -12.605 2.334 2.820 1.00 0.00 C ATOM 936 C GLY A 67 -13.006 0.876 2.714 1.00 0.00 C ATOM 937 O GLY A 67 -12.185 -0.017 2.924 1.00 0.00 O ATOM 0 H GLY A 67 -12.361 3.127 0.896 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -11.522 2.403 2.925 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -13.041 2.763 3.723 1.00 0.00 H new ATOM 941 N SER A 68 -14.271 0.634 2.386 1.00 0.00 N ATOM 942 CA SER A 68 -14.780 -0.725 2.253 1.00 0.00 C ATOM 943 C SER A 68 -15.041 -1.067 0.789 1.00 0.00 C ATOM 944 O SER A 68 -15.087 -0.182 -0.066 1.00 0.00 O ATOM 945 CB SER A 68 -16.064 -0.894 3.066 1.00 0.00 C ATOM 946 OG SER A 68 -17.128 -0.147 2.501 1.00 0.00 O ATOM 0 H SER A 68 -14.962 1.362 2.207 1.00 0.00 H new ATOM 0 HA SER A 68 -14.023 -1.409 2.638 1.00 0.00 H new ATOM 0 HB2 SER A 68 -16.337 -1.949 3.106 1.00 0.00 H new ATOM 0 HB3 SER A 68 -15.893 -0.570 4.093 1.00 0.00 H new ATOM 0 HG SER A 68 -17.938 -0.273 3.038 1.00 0.00 H new ATOM 952 N ILE A 69 -15.213 -2.354 0.509 1.00 0.00 N ATOM 953 CA ILE A 69 -15.469 -2.812 -0.852 1.00 0.00 C ATOM 954 C ILE A 69 -16.591 -3.844 -0.881 1.00 0.00 C ATOM 955 O ILE A 69 -16.504 -4.888 -0.235 1.00 0.00 O ATOM 956 CB ILE A 69 -14.207 -3.424 -1.487 1.00 0.00 C ATOM 957 CG1 ILE A 69 -13.005 -2.503 -1.279 1.00 0.00 C ATOM 958 CG2 ILE A 69 -14.432 -3.683 -2.969 1.00 0.00 C ATOM 959 CD1 ILE A 69 -11.704 -3.080 -1.796 1.00 0.00 C ATOM 0 H ILE A 69 -15.180 -3.098 1.206 1.00 0.00 H new ATOM 0 HA ILE A 69 -15.767 -1.937 -1.429 1.00 0.00 H new ATOM 0 HB ILE A 69 -13.999 -4.376 -0.999 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -13.195 -1.553 -1.778 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -12.901 -2.289 -0.215 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -13.531 -4.116 -3.404 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -15.264 -4.376 -3.095 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -14.662 -2.744 -3.472 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -10.895 -2.373 -1.615 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -11.490 -4.016 -1.280 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -11.789 -3.268 -2.866 1.00 0.00 H new ATOM 971 N GLY A 70 -17.644 -3.545 -1.636 1.00 0.00 N ATOM 972 CA GLY A 70 -18.768 -4.458 -1.735 1.00 0.00 C ATOM 973 C GLY A 70 -19.506 -4.615 -0.419 1.00 0.00 C ATOM 974 O GLY A 70 -20.571 -4.030 -0.224 1.00 0.00 O ATOM 0 H GLY A 70 -17.739 -2.688 -2.180 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -19.460 -4.096 -2.495 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -18.412 -5.433 -2.067 1.00 0.00 H new ATOM 978 N GLY A 71 -18.938 -5.407 0.484 1.00 0.00 N ATOM 979 CA GLY A 71 -19.562 -5.625 1.776 1.00 0.00 C ATOM 980 C GLY A 71 -18.557 -5.989 2.851 1.00 0.00 C ATOM 981 O GLY A 71 -18.795 -6.893 3.651 1.00 0.00 O ATOM 0 H GLY A 71 -18.057 -5.902 0.344 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -20.098 -4.724 2.074 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -20.301 -6.421 1.689 1.00 0.00 H new ATOM 985 N LYS A 72 -17.432 -5.283 2.869 1.00 0.00 N ATOM 986 CA LYS A 72 -16.387 -5.536 3.855 1.00 0.00 C ATOM 987 C LYS A 72 -15.526 -4.296 4.067 1.00 0.00 C ATOM 988 O LYS A 72 -14.990 -3.730 3.114 1.00 0.00 O ATOM 989 CB LYS A 72 -15.512 -6.710 3.410 1.00 0.00 C ATOM 990 CG LYS A 72 -14.501 -7.145 4.459 1.00 0.00 C ATOM 991 CD LYS A 72 -14.286 -8.650 4.434 1.00 0.00 C ATOM 992 CE LYS A 72 -15.283 -9.370 5.327 1.00 0.00 C ATOM 993 NZ LYS A 72 -14.985 -10.826 5.434 1.00 0.00 N ATOM 0 H LYS A 72 -17.220 -4.531 2.213 1.00 0.00 H new ATOM 0 HA LYS A 72 -16.867 -5.787 4.801 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -16.152 -7.556 3.161 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -14.982 -6.433 2.499 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -13.552 -6.638 4.284 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -14.847 -6.842 5.447 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -14.382 -9.015 3.412 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -13.272 -8.879 4.761 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -15.269 -8.923 6.321 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -16.289 -9.234 4.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -15.688 -11.280 6.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -15.024 -11.259 4.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -14.035 -10.957 5.836 1.00 0.00 H new ATOM 1007 N GLN A 73 -15.397 -3.879 5.323 1.00 0.00 N ATOM 1008 CA GLN A 73 -14.601 -2.705 5.660 1.00 0.00 C ATOM 1009 C GLN A 73 -13.155 -3.094 5.954 1.00 0.00 C ATOM 1010 O GLN A 73 -12.896 -4.050 6.685 1.00 0.00 O ATOM 1011 CB GLN A 73 -15.203 -1.984 6.867 1.00 0.00 C ATOM 1012 CG GLN A 73 -14.965 -0.483 6.859 1.00 0.00 C ATOM 1013 CD GLN A 73 -15.933 0.264 7.756 1.00 0.00 C ATOM 1014 OE1 GLN A 73 -16.751 -0.341 8.447 1.00 0.00 O ATOM 1015 NE2 GLN A 73 -15.844 1.590 7.748 1.00 0.00 N ATOM 0 H GLN A 73 -15.833 -4.337 6.123 1.00 0.00 H new ATOM 0 HA GLN A 73 -14.610 -2.032 4.802 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -16.276 -2.173 6.895 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -14.781 -2.406 7.779 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -13.944 -0.279 7.182 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -15.058 -0.109 5.839 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -15.150 2.051 7.159 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -16.469 2.147 8.331 1.00 0.00 H new ATOM 1024 N TYR A 74 -12.218 -2.348 5.380 1.00 0.00 N ATOM 1025 CA TYR A 74 -10.799 -2.614 5.580 1.00 0.00 C ATOM 1026 C TYR A 74 -10.170 -1.562 6.486 1.00 0.00 C ATOM 1027 O TYR A 74 -9.358 -1.880 7.355 1.00 0.00 O ATOM 1028 CB TYR A 74 -10.070 -2.648 4.235 1.00 0.00 C ATOM 1029 CG TYR A 74 -10.556 -3.740 3.309 1.00 0.00 C ATOM 1030 CD1 TYR A 74 -11.841 -3.711 2.784 1.00 0.00 C ATOM 1031 CD2 TYR A 74 -9.728 -4.799 2.959 1.00 0.00 C ATOM 1032 CE1 TYR A 74 -12.289 -4.706 1.938 1.00 0.00 C ATOM 1033 CE2 TYR A 74 -10.168 -5.798 2.112 1.00 0.00 C ATOM 1034 CZ TYR A 74 -11.450 -5.747 1.604 1.00 0.00 C ATOM 1035 OH TYR A 74 -11.892 -6.741 0.762 1.00 0.00 O ATOM 0 H TYR A 74 -12.416 -1.553 4.772 1.00 0.00 H new ATOM 0 HA TYR A 74 -10.702 -3.587 6.062 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -10.192 -1.684 3.741 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -9.003 -2.783 4.413 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -12.501 -2.896 3.042 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -8.724 -4.842 3.355 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -13.292 -4.669 1.540 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -9.512 -6.615 1.849 1.00 0.00 H new ATOM 0 HH TYR A 74 -11.177 -7.398 0.628 1.00 0.00 H new ATOM 1045 N PHE A 75 -10.550 -0.305 6.277 1.00 0.00 N ATOM 1046 CA PHE A 75 -10.023 0.796 7.075 1.00 0.00 C ATOM 1047 C PHE A 75 -11.034 1.932 7.168 1.00 0.00 C ATOM 1048 O PHE A 75 -11.615 2.344 6.164 1.00 0.00 O ATOM 1049 CB PHE A 75 -8.714 1.310 6.471 1.00 0.00 C ATOM 1050 CG PHE A 75 -8.795 1.561 4.991 1.00 0.00 C ATOM 1051 CD1 PHE A 75 -8.638 0.520 4.090 1.00 0.00 C ATOM 1052 CD2 PHE A 75 -9.028 2.836 4.503 1.00 0.00 C ATOM 1053 CE1 PHE A 75 -8.713 0.748 2.728 1.00 0.00 C ATOM 1054 CE2 PHE A 75 -9.104 3.070 3.144 1.00 0.00 C ATOM 1055 CZ PHE A 75 -8.946 2.024 2.255 1.00 0.00 C ATOM 0 H PHE A 75 -11.221 -0.024 5.562 1.00 0.00 H new ATOM 0 HA PHE A 75 -9.829 0.423 8.081 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.430 2.235 6.973 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -7.924 0.585 6.666 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -8.455 -0.480 4.455 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -9.152 3.657 5.193 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -8.589 -0.071 2.035 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -9.287 4.069 2.777 1.00 0.00 H new ATOM 0 HZ PHE A 75 -9.005 2.204 1.192 1.00 0.00 H new ATOM 1065 N ARG A 76 -11.242 2.436 8.380 1.00 0.00 N ATOM 1066 CA ARG A 76 -12.185 3.525 8.604 1.00 0.00 C ATOM 1067 C ARG A 76 -11.600 4.855 8.139 1.00 0.00 C ATOM 1068 O ARG A 76 -10.897 5.532 8.889 1.00 0.00 O ATOM 1069 CB ARG A 76 -12.556 3.608 10.086 1.00 0.00 C ATOM 1070 CG ARG A 76 -13.847 4.369 10.348 1.00 0.00 C ATOM 1071 CD ARG A 76 -14.008 4.708 11.822 1.00 0.00 C ATOM 1072 NE ARG A 76 -15.147 4.018 12.422 1.00 0.00 N ATOM 1073 CZ ARG A 76 -15.109 2.758 12.853 1.00 0.00 C ATOM 1074 NH1 ARG A 76 -13.991 2.049 12.760 1.00 0.00 N ATOM 1075 NH2 ARG A 76 -16.192 2.206 13.381 1.00 0.00 N ATOM 0 H ARG A 76 -10.770 2.107 9.222 1.00 0.00 H new ATOM 0 HA ARG A 76 -13.084 3.321 8.022 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -12.652 2.598 10.485 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -11.743 4.090 10.629 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -13.855 5.287 9.760 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -14.696 3.771 10.017 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -13.098 4.438 12.357 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -14.136 5.785 11.934 1.00 0.00 H new ATOM 0 HE ARG A 76 -16.023 4.531 12.517 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -13.153 2.468 12.356 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -13.969 1.085 13.092 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -17.054 2.746 13.457 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -16.163 1.241 13.711 1.00 0.00 H new ATOM 1089 N CYS A 77 -11.897 5.223 6.897 1.00 0.00 N ATOM 1090 CA CYS A 77 -11.402 6.472 6.330 1.00 0.00 C ATOM 1091 C CYS A 77 -12.497 7.182 5.540 1.00 0.00 C ATOM 1092 O CYS A 77 -13.627 6.700 5.456 1.00 0.00 O ATOM 1093 CB CYS A 77 -10.198 6.204 5.426 1.00 0.00 C ATOM 1094 SG CYS A 77 -8.627 6.068 6.311 1.00 0.00 S ATOM 0 H CYS A 77 -12.478 4.674 6.264 1.00 0.00 H new ATOM 0 HA CYS A 77 -11.094 7.118 7.152 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -10.372 5.282 4.872 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -10.122 7.007 4.693 1.00 0.00 H new ATOM 0 HG CYS A 77 -7.918 5.110 5.792 1.00 0.00 H new ATOM 1100 N ASN A 78 -12.154 8.329 4.963 1.00 0.00 N ATOM 1101 CA ASN A 78 -13.108 9.105 4.180 1.00 0.00 C ATOM 1102 C ASN A 78 -13.264 8.521 2.779 1.00 0.00 C ATOM 1103 O ASN A 78 -12.375 7.828 2.283 1.00 0.00 O ATOM 1104 CB ASN A 78 -12.659 10.565 4.090 1.00 0.00 C ATOM 1105 CG ASN A 78 -13.021 11.358 5.330 1.00 0.00 C ATOM 1106 OD1 ASN A 78 -12.164 11.987 5.951 1.00 0.00 O ATOM 1107 ND2 ASN A 78 -14.297 11.333 5.696 1.00 0.00 N ATOM 0 H ASN A 78 -11.223 8.741 5.023 1.00 0.00 H new ATOM 0 HA ASN A 78 -14.074 9.060 4.683 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -11.580 10.602 3.941 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -13.118 11.030 3.218 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -14.601 11.849 6.522 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -14.973 10.798 5.151 1.00 0.00 H new ATOM 1114 N PRO A 79 -14.402 8.795 2.117 1.00 0.00 N ATOM 1115 CA PRO A 79 -14.670 8.293 0.765 1.00 0.00 C ATOM 1116 C PRO A 79 -13.787 8.959 -0.284 1.00 0.00 C ATOM 1117 O PRO A 79 -13.693 10.185 -0.343 1.00 0.00 O ATOM 1118 CB PRO A 79 -16.139 8.654 0.536 1.00 0.00 C ATOM 1119 CG PRO A 79 -16.385 9.822 1.426 1.00 0.00 C ATOM 1120 CD PRO A 79 -15.515 9.614 2.634 1.00 0.00 C ATOM 0 HA PRO A 79 -14.462 7.227 0.677 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -16.327 8.905 -0.508 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -16.795 7.820 0.786 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -16.136 10.756 0.922 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -17.436 9.883 1.708 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -15.161 10.561 3.042 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -16.052 9.103 3.433 1.00 0.00 H new ATOM 1128 N GLY A 80 -13.142 8.144 -1.112 1.00 0.00 N ATOM 1129 CA GLY A 80 -12.275 8.673 -2.148 1.00 0.00 C ATOM 1130 C GLY A 80 -10.818 8.695 -1.732 1.00 0.00 C ATOM 1131 O GLY A 80 -9.924 8.642 -2.577 1.00 0.00 O ATOM 0 H GLY A 80 -13.204 7.126 -1.084 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -12.383 8.070 -3.050 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -12.592 9.685 -2.401 1.00 0.00 H new ATOM 1135 N TYR A 81 -10.577 8.774 -0.427 1.00 0.00 N ATOM 1136 CA TYR A 81 -9.217 8.803 0.099 1.00 0.00 C ATOM 1137 C TYR A 81 -8.765 7.407 0.518 1.00 0.00 C ATOM 1138 O TYR A 81 -8.122 7.236 1.554 1.00 0.00 O ATOM 1139 CB TYR A 81 -9.131 9.759 1.290 1.00 0.00 C ATOM 1140 CG TYR A 81 -9.512 11.184 0.953 1.00 0.00 C ATOM 1141 CD1 TYR A 81 -10.832 11.608 1.041 1.00 0.00 C ATOM 1142 CD2 TYR A 81 -8.552 12.101 0.545 1.00 0.00 C ATOM 1143 CE1 TYR A 81 -11.184 12.909 0.732 1.00 0.00 C ATOM 1144 CE2 TYR A 81 -8.897 13.403 0.235 1.00 0.00 C ATOM 1145 CZ TYR A 81 -10.214 13.801 0.330 1.00 0.00 C ATOM 1146 OH TYR A 81 -10.560 15.097 0.022 1.00 0.00 O ATOM 0 H TYR A 81 -11.306 8.819 0.285 1.00 0.00 H new ATOM 0 HA TYR A 81 -8.555 9.156 -0.691 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -9.783 9.396 2.084 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -8.114 9.747 1.682 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -11.595 10.911 1.355 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -7.520 11.792 0.469 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -12.214 13.224 0.805 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -8.139 14.105 -0.080 1.00 0.00 H new ATOM 0 HH TYR A 81 -9.772 15.674 0.101 1.00 0.00 H new ATOM 1156 N GLY A 82 -9.104 6.412 -0.296 1.00 0.00 N ATOM 1157 CA GLY A 82 -8.724 5.044 0.008 1.00 0.00 C ATOM 1158 C GLY A 82 -8.683 4.167 -1.228 1.00 0.00 C ATOM 1159 O GLY A 82 -9.644 4.120 -1.997 1.00 0.00 O ATOM 0 H GLY A 82 -9.634 6.528 -1.160 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.744 5.040 0.486 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.430 4.624 0.725 1.00 0.00 H new ATOM 1163 N LEU A 83 -7.568 3.470 -1.420 1.00 0.00 N ATOM 1164 CA LEU A 83 -7.404 2.589 -2.571 1.00 0.00 C ATOM 1165 C LEU A 83 -6.520 1.396 -2.221 1.00 0.00 C ATOM 1166 O LEU A 83 -5.364 1.561 -1.832 1.00 0.00 O ATOM 1167 CB LEU A 83 -6.802 3.359 -3.748 1.00 0.00 C ATOM 1168 CG LEU A 83 -6.748 2.589 -5.067 1.00 0.00 C ATOM 1169 CD1 LEU A 83 -8.149 2.208 -5.520 1.00 0.00 C ATOM 1170 CD2 LEU A 83 -6.047 3.413 -6.136 1.00 0.00 C ATOM 0 H LEU A 83 -6.764 3.498 -0.793 1.00 0.00 H new ATOM 0 HA LEU A 83 -8.388 2.217 -2.856 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -7.381 4.270 -3.900 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -5.790 3.665 -3.482 1.00 0.00 H new ATOM 0 HG LEU A 83 -6.178 1.674 -4.909 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -8.091 1.660 -6.461 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -8.618 1.580 -4.763 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -8.744 3.110 -5.662 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -6.017 2.850 -7.069 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -6.591 4.345 -6.292 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -5.030 3.636 -5.815 1.00 0.00 H new ATOM 1182 N LEU A 84 -7.072 0.195 -2.362 1.00 0.00 N ATOM 1183 CA LEU A 84 -6.332 -1.025 -2.061 1.00 0.00 C ATOM 1184 C LEU A 84 -5.536 -1.494 -3.275 1.00 0.00 C ATOM 1185 O LEU A 84 -6.095 -1.713 -4.349 1.00 0.00 O ATOM 1186 CB LEU A 84 -7.291 -2.128 -1.606 1.00 0.00 C ATOM 1187 CG LEU A 84 -7.571 -2.163 -0.101 1.00 0.00 C ATOM 1188 CD1 LEU A 84 -9.066 -2.244 0.165 1.00 0.00 C ATOM 1189 CD2 LEU A 84 -6.849 -3.334 0.550 1.00 0.00 C ATOM 0 H LEU A 84 -8.028 0.041 -2.682 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.632 -0.806 -1.255 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -8.237 -2.006 -2.133 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -6.880 -3.092 -1.906 1.00 0.00 H new ATOM 0 HG LEU A 84 -7.195 -1.239 0.338 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -9.243 -2.268 1.240 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -9.560 -1.373 -0.265 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -9.468 -3.150 -0.289 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -7.060 -3.342 1.619 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -7.194 -4.267 0.105 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.775 -3.232 0.393 1.00 0.00 H new ATOM 1201 N VAL A 85 -4.228 -1.647 -3.095 1.00 0.00 N ATOM 1202 CA VAL A 85 -3.355 -2.091 -4.174 1.00 0.00 C ATOM 1203 C VAL A 85 -2.416 -3.194 -3.701 1.00 0.00 C ATOM 1204 O VAL A 85 -2.264 -3.419 -2.500 1.00 0.00 O ATOM 1205 CB VAL A 85 -2.519 -0.927 -4.736 1.00 0.00 C ATOM 1206 CG1 VAL A 85 -3.402 0.043 -5.507 1.00 0.00 C ATOM 1207 CG2 VAL A 85 -1.779 -0.211 -3.616 1.00 0.00 C ATOM 0 H VAL A 85 -3.750 -1.470 -2.212 1.00 0.00 H new ATOM 0 HA VAL A 85 -3.999 -2.479 -4.963 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.780 -1.335 -5.426 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -2.793 0.859 -5.896 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.880 -0.480 -6.335 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -4.166 0.446 -4.843 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.194 0.609 -4.033 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.499 0.185 -2.899 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.114 -0.913 -3.113 1.00 0.00 H new ATOM 1217 N ARG A 86 -1.787 -3.878 -4.650 1.00 0.00 N ATOM 1218 CA ARG A 86 -0.860 -4.957 -4.326 1.00 0.00 C ATOM 1219 C ARG A 86 0.485 -4.400 -3.871 1.00 0.00 C ATOM 1220 O ARG A 86 0.861 -3.286 -4.238 1.00 0.00 O ATOM 1221 CB ARG A 86 -0.664 -5.870 -5.539 1.00 0.00 C ATOM 1222 CG ARG A 86 -1.965 -6.276 -6.211 1.00 0.00 C ATOM 1223 CD ARG A 86 -2.638 -7.423 -5.473 1.00 0.00 C ATOM 1224 NE ARG A 86 -3.309 -8.343 -6.388 1.00 0.00 N ATOM 1225 CZ ARG A 86 -2.677 -9.276 -7.096 1.00 0.00 C ATOM 1226 NH1 ARG A 86 -1.361 -9.417 -6.997 1.00 0.00 N ATOM 1227 NH2 ARG A 86 -3.363 -10.074 -7.904 1.00 0.00 N ATOM 0 H ARG A 86 -1.902 -3.705 -5.649 1.00 0.00 H new ATOM 0 HA ARG A 86 -1.288 -5.537 -3.508 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -0.032 -5.362 -6.267 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.131 -6.768 -5.225 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.639 -5.420 -6.248 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -1.767 -6.571 -7.241 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.893 -7.968 -4.893 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.363 -7.023 -4.765 1.00 0.00 H new ATOM 0 HE ARG A 86 -4.321 -8.266 -6.490 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.828 -8.808 -6.376 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -0.882 -10.134 -7.542 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -4.375 -9.972 -7.983 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.878 -10.789 -8.447 1.00 0.00 H new ATOM 1241 N PRO A 87 1.233 -5.170 -3.061 1.00 0.00 N ATOM 1242 CA PRO A 87 2.543 -4.746 -2.556 1.00 0.00 C ATOM 1243 C PRO A 87 3.456 -4.245 -3.668 1.00 0.00 C ATOM 1244 O PRO A 87 4.287 -3.361 -3.454 1.00 0.00 O ATOM 1245 CB PRO A 87 3.110 -6.021 -1.930 1.00 0.00 C ATOM 1246 CG PRO A 87 1.911 -6.816 -1.542 1.00 0.00 C ATOM 1247 CD PRO A 87 0.860 -6.512 -2.575 1.00 0.00 C ATOM 0 HA PRO A 87 2.462 -3.913 -1.858 1.00 0.00 H new ATOM 0 HB2 PRO A 87 3.735 -6.566 -2.638 1.00 0.00 H new ATOM 0 HB3 PRO A 87 3.732 -5.794 -1.064 1.00 0.00 H new ATOM 0 HG2 PRO A 87 2.140 -7.882 -1.520 1.00 0.00 H new ATOM 0 HG3 PRO A 87 1.568 -6.543 -0.544 1.00 0.00 H new ATOM 0 HD2 PRO A 87 0.865 -7.246 -3.381 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -0.141 -6.519 -2.143 1.00 0.00 H new ATOM 1255 N SER A 88 3.294 -4.813 -4.858 1.00 0.00 N ATOM 1256 CA SER A 88 4.101 -4.424 -6.008 1.00 0.00 C ATOM 1257 C SER A 88 3.872 -2.958 -6.362 1.00 0.00 C ATOM 1258 O SER A 88 4.741 -2.307 -6.942 1.00 0.00 O ATOM 1259 CB SER A 88 3.772 -5.309 -7.211 1.00 0.00 C ATOM 1260 OG SER A 88 2.377 -5.530 -7.316 1.00 0.00 O ATOM 0 H SER A 88 2.610 -5.545 -5.051 1.00 0.00 H new ATOM 0 HA SER A 88 5.151 -4.556 -5.745 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.138 -4.838 -8.123 1.00 0.00 H new ATOM 0 HB3 SER A 88 4.288 -6.264 -7.116 1.00 0.00 H new ATOM 0 HG SER A 88 2.193 -6.097 -8.094 1.00 0.00 H new ATOM 1266 N ARG A 89 2.696 -2.444 -6.010 1.00 0.00 N ATOM 1267 CA ARG A 89 2.354 -1.055 -6.292 1.00 0.00 C ATOM 1268 C ARG A 89 2.618 -0.169 -5.078 1.00 0.00 C ATOM 1269 O ARG A 89 1.971 0.862 -4.898 1.00 0.00 O ATOM 1270 CB ARG A 89 0.886 -0.946 -6.707 1.00 0.00 C ATOM 1271 CG ARG A 89 0.599 -1.536 -8.077 1.00 0.00 C ATOM 1272 CD ARG A 89 1.237 -0.714 -9.184 1.00 0.00 C ATOM 1273 NE ARG A 89 0.906 -1.229 -10.510 1.00 0.00 N ATOM 1274 CZ ARG A 89 1.464 -2.314 -11.044 1.00 0.00 C ATOM 1275 NH1 ARG A 89 2.379 -2.999 -10.370 1.00 0.00 N ATOM 1276 NH2 ARG A 89 1.104 -2.715 -12.256 1.00 0.00 N ATOM 0 H ARG A 89 1.965 -2.969 -5.529 1.00 0.00 H new ATOM 0 HA ARG A 89 2.985 -0.711 -7.112 1.00 0.00 H new ATOM 0 HB2 ARG A 89 0.268 -1.452 -5.965 1.00 0.00 H new ATOM 0 HB3 ARG A 89 0.592 0.104 -6.703 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.974 -2.558 -8.120 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.478 -1.585 -8.234 1.00 0.00 H new ATOM 0 HD2 ARG A 89 0.905 0.321 -9.104 1.00 0.00 H new ATOM 0 HD3 ARG A 89 2.319 -0.712 -9.056 1.00 0.00 H new ATOM 0 HE ARG A 89 0.207 -0.729 -11.059 1.00 0.00 H new ATOM 0 HH11 ARG A 89 2.659 -2.695 -9.437 1.00 0.00 H new ATOM 0 HH12 ARG A 89 2.803 -3.829 -10.785 1.00 0.00 H new ATOM 0 HH21 ARG A 89 0.401 -2.193 -12.778 1.00 0.00 H new ATOM 0 HH22 ARG A 89 1.531 -3.546 -12.666 1.00 0.00 H new ATOM 1290 N VAL A 90 3.573 -0.577 -4.246 1.00 0.00 N ATOM 1291 CA VAL A 90 3.919 0.182 -3.051 1.00 0.00 C ATOM 1292 C VAL A 90 5.432 0.294 -2.891 1.00 0.00 C ATOM 1293 O VAL A 90 6.143 -0.711 -2.902 1.00 0.00 O ATOM 1294 CB VAL A 90 3.328 -0.464 -1.784 1.00 0.00 C ATOM 1295 CG1 VAL A 90 3.529 0.441 -0.579 1.00 0.00 C ATOM 1296 CG2 VAL A 90 1.854 -0.781 -1.984 1.00 0.00 C ATOM 0 H VAL A 90 4.119 -1.428 -4.379 1.00 0.00 H new ATOM 0 HA VAL A 90 3.493 1.178 -3.175 1.00 0.00 H new ATOM 0 HB VAL A 90 3.854 -1.400 -1.596 1.00 0.00 H new ATOM 0 HG11 VAL A 90 3.105 -0.033 0.306 1.00 0.00 H new ATOM 0 HG12 VAL A 90 4.595 0.610 -0.425 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.032 1.395 -0.754 1.00 0.00 H new ATOM 0 HG21 VAL A 90 1.454 -1.237 -1.078 1.00 0.00 H new ATOM 0 HG22 VAL A 90 1.310 0.139 -2.198 1.00 0.00 H new ATOM 0 HG23 VAL A 90 1.741 -1.473 -2.819 1.00 0.00 H new ATOM 1306 N ARG A 91 5.917 1.522 -2.744 1.00 0.00 N ATOM 1307 CA ARG A 91 7.345 1.766 -2.582 1.00 0.00 C ATOM 1308 C ARG A 91 7.618 2.595 -1.331 1.00 0.00 C ATOM 1309 O ARG A 91 6.752 3.335 -0.864 1.00 0.00 O ATOM 1310 CB ARG A 91 7.905 2.482 -3.812 1.00 0.00 C ATOM 1311 CG ARG A 91 8.318 1.537 -4.931 1.00 0.00 C ATOM 1312 CD ARG A 91 8.767 2.301 -6.166 1.00 0.00 C ATOM 1313 NE ARG A 91 7.697 2.427 -7.151 1.00 0.00 N ATOM 1314 CZ ARG A 91 7.898 2.722 -8.433 1.00 0.00 C ATOM 1315 NH1 ARG A 91 9.129 2.922 -8.889 1.00 0.00 N ATOM 1316 NH2 ARG A 91 6.868 2.817 -9.262 1.00 0.00 N ATOM 0 H ARG A 91 5.342 2.364 -2.734 1.00 0.00 H new ATOM 0 HA ARG A 91 7.841 0.802 -2.473 1.00 0.00 H new ATOM 0 HB2 ARG A 91 7.154 3.175 -4.192 1.00 0.00 H new ATOM 0 HB3 ARG A 91 8.768 3.078 -3.514 1.00 0.00 H new ATOM 0 HG2 ARG A 91 9.127 0.893 -4.586 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.481 0.887 -5.188 1.00 0.00 H new ATOM 0 HD2 ARG A 91 9.109 3.294 -5.874 1.00 0.00 H new ATOM 0 HD3 ARG A 91 9.618 1.791 -6.618 1.00 0.00 H new ATOM 0 HE ARG A 91 6.737 2.280 -6.838 1.00 0.00 H new ATOM 0 HH11 ARG A 91 9.925 2.850 -8.256 1.00 0.00 H new ATOM 0 HH12 ARG A 91 9.278 3.148 -9.872 1.00 0.00 H new ATOM 0 HH21 ARG A 91 5.920 2.664 -8.917 1.00 0.00 H new ATOM 0 HH22 ARG A 91 7.023 3.043 -10.244 1.00 0.00 H new ATOM 1330 N ARG A 92 8.826 2.465 -0.793 1.00 0.00 N ATOM 1331 CA ARG A 92 9.212 3.202 0.405 1.00 0.00 C ATOM 1332 C ARG A 92 9.338 4.693 0.108 1.00 0.00 C ATOM 1333 O ARG A 92 10.105 5.100 -0.765 1.00 0.00 O ATOM 1334 CB ARG A 92 10.534 2.663 0.956 1.00 0.00 C ATOM 1335 CG ARG A 92 10.535 2.484 2.466 1.00 0.00 C ATOM 1336 CD ARG A 92 11.694 1.614 2.926 1.00 0.00 C ATOM 1337 NE ARG A 92 12.587 2.328 3.836 1.00 0.00 N ATOM 1338 CZ ARG A 92 13.535 3.172 3.434 1.00 0.00 C ATOM 1339 NH1 ARG A 92 13.717 3.412 2.142 1.00 0.00 N ATOM 1340 NH2 ARG A 92 14.303 3.779 4.328 1.00 0.00 N ATOM 0 H ARG A 92 9.554 1.857 -1.167 1.00 0.00 H new ATOM 0 HA ARG A 92 8.433 3.065 1.155 1.00 0.00 H new ATOM 0 HB2 ARG A 92 10.751 1.704 0.485 1.00 0.00 H new ATOM 0 HB3 ARG A 92 11.339 3.344 0.678 1.00 0.00 H new ATOM 0 HG2 ARG A 92 10.598 3.459 2.948 1.00 0.00 H new ATOM 0 HG3 ARG A 92 9.594 2.033 2.780 1.00 0.00 H new ATOM 0 HD2 ARG A 92 11.305 0.725 3.423 1.00 0.00 H new ATOM 0 HD3 ARG A 92 12.258 1.273 2.058 1.00 0.00 H new ATOM 0 HE ARG A 92 12.478 2.171 4.838 1.00 0.00 H new ATOM 0 HH11 ARG A 92 13.129 2.949 1.449 1.00 0.00 H new ATOM 0 HH12 ARG A 92 14.445 4.060 1.841 1.00 0.00 H new ATOM 0 HH21 ARG A 92 14.167 3.599 5.323 1.00 0.00 H new ATOM 0 HH22 ARG A 92 15.030 4.426 4.021 1.00 0.00 H new ATOM 1354 N ALA A 93 8.581 5.503 0.841 1.00 0.00 N ATOM 1355 CA ALA A 93 8.609 6.949 0.658 1.00 0.00 C ATOM 1356 C ALA A 93 9.367 7.632 1.790 1.00 0.00 C ATOM 1357 O ALA A 93 8.919 7.634 2.937 1.00 0.00 O ATOM 1358 CB ALA A 93 7.193 7.495 0.562 1.00 0.00 C ATOM 0 H ALA A 93 7.941 5.182 1.567 1.00 0.00 H new ATOM 0 HA ALA A 93 9.133 7.163 -0.274 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.228 8.576 0.426 1.00 0.00 H new ATOM 0 HB2 ALA A 93 6.684 7.038 -0.287 1.00 0.00 H new ATOM 0 HB3 ALA A 93 6.651 7.263 1.478 1.00 0.00 H new