USER MOD reduce.3.24.130724 H: found=0, std=0, add=729, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 731 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 72 GLN : amide:sc= 0.397 K(o=1.5,f=-0.28) USER MOD Set 1.2: A 73 GLN : amide:sc= 1.08 K(o=1.5,f=-0.28) USER MOD Set 2.1: A 29 GLN : amide:sc= -0.0581 K(o=0.67,f=-0.65) USER MOD Set 2.2: A 48 LYS NZ :NH3+ 161:sc= 0.732 (180deg=0.564) USER MOD Single : A 31 SER OG : rot 101:sc= 1.12 USER MOD Single : A 32 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -148:sc= 1.24 (180deg=0.476) USER MOD Single : A 41 GLN : amide:sc= -0.126 K(o=-0.13,f=-4.1!) USER MOD Single : A 45 ASN : amide:sc= 0.403 K(o=0.4,f=-0.71) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 1.17 K(o=1.2,f=0) USER MOD Single : A 56 CYS SG : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HD1:sc= 0.355 K(o=1.3,f=-9.4!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 65:sc= 0.438 USER MOD Single : A 63 GLN : amide:sc= -0.815 K(o=-0.81,f=-3.4!) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN : amide:sc= -0.118 K(o=-0.12,f=-2.4!) USER MOD Single : A 68 ASN : amide:sc= -0.655 X(o=-0.66,f=-1) USER MOD Single : A 74 LYS NZ :NH3+ -143:sc= 0.0118 (180deg=-0.826) USER MOD Single : A 80 SER OG : rot 79:sc= 1.22 USER MOD Single : A 81 MET CE :methyl -145:sc= -0.212 (180deg=-0.732) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 30:sc= 0.00252 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.00421 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.287 USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 243 N LEU A 16 -1.220 10.906 -4.485 1.00 0.00 N ATOM 244 CA LEU A 16 -0.155 10.494 -3.591 1.00 0.00 C ATOM 245 C LEU A 16 0.271 9.058 -3.889 1.00 0.00 C ATOM 246 O LEU A 16 1.448 8.719 -3.775 1.00 0.00 O ATOM 247 CB LEU A 16 -0.700 10.638 -2.165 1.00 0.00 C ATOM 248 CG LEU A 16 0.269 10.284 -1.037 1.00 0.00 C ATOM 249 CD1 LEU A 16 1.524 11.151 -1.140 1.00 0.00 C ATOM 250 CD2 LEU A 16 -0.473 10.530 0.284 1.00 0.00 C ATOM 0 HA LEU A 16 0.734 11.111 -3.721 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.028 11.668 -2.025 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.583 10.006 -2.070 1.00 0.00 H new ATOM 0 HG LEU A 16 0.590 9.244 -1.097 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.211 10.894 -0.334 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.010 10.976 -2.100 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.247 12.202 -1.060 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.183 10.289 1.120 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.770 11.577 0.345 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.360 9.898 0.326 1.00 0.00 H new ATOM 262 N ALA A 17 -0.679 8.217 -4.315 1.00 0.00 N ATOM 263 CA ALA A 17 -0.391 6.862 -4.739 1.00 0.00 C ATOM 264 C ALA A 17 0.615 6.844 -5.881 1.00 0.00 C ATOM 265 O ALA A 17 1.458 5.960 -5.896 1.00 0.00 O ATOM 266 CB ALA A 17 -1.659 6.151 -5.197 1.00 0.00 C ATOM 0 H ALA A 17 -1.666 8.467 -4.372 1.00 0.00 H new ATOM 0 HA ALA A 17 0.029 6.343 -3.878 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.414 5.136 -5.510 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.373 6.115 -4.374 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.098 6.693 -6.035 1.00 0.00 H new ATOM 272 N ALA A 18 0.527 7.787 -6.824 1.00 0.00 N ATOM 273 CA ALA A 18 1.388 7.814 -7.997 1.00 0.00 C ATOM 274 C ALA A 18 2.861 7.866 -7.582 1.00 0.00 C ATOM 275 O ALA A 18 3.685 7.117 -8.103 1.00 0.00 O ATOM 276 CB ALA A 18 1.012 9.008 -8.874 1.00 0.00 C ATOM 0 H ALA A 18 -0.147 8.552 -6.790 1.00 0.00 H new ATOM 0 HA ALA A 18 1.245 6.900 -8.574 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.656 9.030 -9.753 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.028 8.916 -9.188 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.140 9.930 -8.307 1.00 0.00 H new ATOM 282 N GLU A 19 3.171 8.718 -6.607 1.00 0.00 N ATOM 283 CA GLU A 19 4.506 8.842 -6.044 1.00 0.00 C ATOM 284 C GLU A 19 4.894 7.544 -5.322 1.00 0.00 C ATOM 285 O GLU A 19 5.985 7.012 -5.519 1.00 0.00 O ATOM 286 CB GLU A 19 4.534 10.055 -5.098 1.00 0.00 C ATOM 287 CG GLU A 19 4.125 11.392 -5.746 1.00 0.00 C ATOM 288 CD GLU A 19 4.948 11.766 -6.982 1.00 0.00 C ATOM 289 OE1 GLU A 19 6.178 11.518 -6.994 1.00 0.00 O ATOM 290 OE2 GLU A 19 4.367 12.328 -7.943 1.00 0.00 O ATOM 0 H GLU A 19 2.490 9.348 -6.183 1.00 0.00 H new ATOM 0 HA GLU A 19 5.239 9.003 -6.835 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.869 9.857 -4.257 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.540 10.158 -4.692 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.073 11.341 -6.025 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.220 12.186 -5.006 1.00 0.00 H new ATOM 297 N ALA A 20 3.990 6.992 -4.508 1.00 0.00 N ATOM 298 CA ALA A 20 4.237 5.779 -3.742 1.00 0.00 C ATOM 299 C ALA A 20 4.429 4.548 -4.626 1.00 0.00 C ATOM 300 O ALA A 20 5.136 3.628 -4.237 1.00 0.00 O ATOM 301 CB ALA A 20 3.089 5.565 -2.755 1.00 0.00 C ATOM 0 H ALA A 20 3.059 7.383 -4.365 1.00 0.00 H new ATOM 0 HA ALA A 20 5.174 5.912 -3.201 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.269 4.658 -2.179 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.027 6.418 -2.079 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.152 5.467 -3.303 1.00 0.00 H new ATOM 307 N ILE A 21 3.832 4.524 -5.809 1.00 0.00 N ATOM 308 CA ILE A 21 3.974 3.466 -6.801 1.00 0.00 C ATOM 309 C ILE A 21 5.405 3.460 -7.353 1.00 0.00 C ATOM 310 O ILE A 21 5.969 2.392 -7.600 1.00 0.00 O ATOM 311 CB ILE A 21 2.883 3.716 -7.878 1.00 0.00 C ATOM 312 CG1 ILE A 21 1.525 3.187 -7.366 1.00 0.00 C ATOM 313 CG2 ILE A 21 3.209 3.159 -9.270 1.00 0.00 C ATOM 314 CD1 ILE A 21 0.318 3.754 -8.124 1.00 0.00 C ATOM 0 H ILE A 21 3.210 5.271 -6.117 1.00 0.00 H new ATOM 0 HA ILE A 21 3.824 2.471 -6.381 1.00 0.00 H new ATOM 0 HB ILE A 21 2.839 4.795 -8.024 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.515 2.100 -7.446 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.426 3.430 -6.308 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.389 3.383 -9.953 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.125 3.619 -9.640 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.345 2.079 -9.207 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.600 3.338 -7.709 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.302 4.839 -8.023 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.393 3.488 -9.178 1.00 0.00 H new ATOM 326 N GLU A 22 6.029 4.630 -7.507 1.00 0.00 N ATOM 327 CA GLU A 22 7.416 4.710 -7.954 1.00 0.00 C ATOM 328 C GLU A 22 8.350 4.205 -6.835 1.00 0.00 C ATOM 329 O GLU A 22 9.471 3.774 -7.107 1.00 0.00 O ATOM 330 CB GLU A 22 7.698 6.159 -8.390 1.00 0.00 C ATOM 331 CG GLU A 22 9.115 6.414 -8.929 1.00 0.00 C ATOM 332 CD GLU A 22 9.938 7.385 -8.079 1.00 0.00 C ATOM 333 OE1 GLU A 22 9.555 8.574 -8.001 1.00 0.00 O ATOM 334 OE2 GLU A 22 11.010 6.977 -7.571 1.00 0.00 O ATOM 0 H GLU A 22 5.593 5.534 -7.328 1.00 0.00 H new ATOM 0 HA GLU A 22 7.602 4.067 -8.814 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.978 6.437 -9.160 1.00 0.00 H new ATOM 0 HB3 GLU A 22 7.526 6.818 -7.539 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.645 5.464 -8.993 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.042 6.807 -9.943 1.00 0.00 H new ATOM 341 N ARG A 23 7.893 4.201 -5.577 1.00 0.00 N ATOM 342 CA ARG A 23 8.606 3.653 -4.422 1.00 0.00 C ATOM 343 C ARG A 23 8.240 2.189 -4.153 1.00 0.00 C ATOM 344 O ARG A 23 9.011 1.494 -3.487 1.00 0.00 O ATOM 345 CB ARG A 23 8.276 4.550 -3.215 1.00 0.00 C ATOM 346 CG ARG A 23 9.070 4.289 -1.928 1.00 0.00 C ATOM 347 CD ARG A 23 10.566 4.585 -2.072 1.00 0.00 C ATOM 348 NE ARG A 23 11.198 4.930 -0.784 1.00 0.00 N ATOM 349 CZ ARG A 23 11.332 6.158 -0.264 1.00 0.00 C ATOM 350 NH1 ARG A 23 10.971 7.244 -0.933 1.00 0.00 N ATOM 351 NH2 ARG A 23 11.829 6.340 0.955 1.00 0.00 N ATOM 0 H ARG A 23 6.985 4.593 -5.329 1.00 0.00 H new ATOM 0 HA ARG A 23 9.679 3.651 -4.616 1.00 0.00 H new ATOM 0 HB2 ARG A 23 8.434 5.588 -3.508 1.00 0.00 H new ATOM 0 HB3 ARG A 23 7.215 4.441 -2.989 1.00 0.00 H new ATOM 0 HG2 ARG A 23 8.660 4.902 -1.125 1.00 0.00 H new ATOM 0 HG3 ARG A 23 8.939 3.248 -1.633 1.00 0.00 H new ATOM 0 HD2 ARG A 23 11.066 3.715 -2.498 1.00 0.00 H new ATOM 0 HD3 ARG A 23 10.705 5.408 -2.774 1.00 0.00 H new ATOM 0 HE ARG A 23 11.570 4.156 -0.234 1.00 0.00 H new ATOM 0 HH11 ARG A 23 10.579 7.159 -1.871 1.00 0.00 H new ATOM 0 HH12 ARG A 23 11.085 8.165 -0.510 1.00 0.00 H new ATOM 0 HH21 ARG A 23 12.117 5.537 1.514 1.00 0.00 H new ATOM 0 HH22 ARG A 23 11.923 7.283 1.332 1.00 0.00 H new ATOM 365 N ASP A 24 7.111 1.693 -4.663 1.00 0.00 N ATOM 366 CA ASP A 24 6.610 0.358 -4.358 1.00 0.00 C ATOM 367 C ASP A 24 6.031 -0.342 -5.583 1.00 0.00 C ATOM 368 O ASP A 24 4.900 -0.045 -5.985 1.00 0.00 O ATOM 369 CB ASP A 24 5.544 0.406 -3.263 1.00 0.00 C ATOM 370 CG ASP A 24 5.311 -0.987 -2.661 1.00 0.00 C ATOM 371 OD1 ASP A 24 6.274 -1.784 -2.536 1.00 0.00 O ATOM 372 OD2 ASP A 24 4.156 -1.297 -2.303 1.00 0.00 O ATOM 0 H ASP A 24 6.515 2.215 -5.306 1.00 0.00 H new ATOM 0 HA ASP A 24 7.470 -0.214 -4.011 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.853 1.098 -2.479 1.00 0.00 H new ATOM 0 HB3 ASP A 24 4.611 0.789 -3.676 1.00 0.00 H new ATOM 377 N PRO A 25 6.740 -1.314 -6.173 1.00 0.00 N ATOM 378 CA PRO A 25 6.201 -2.071 -7.282 1.00 0.00 C ATOM 379 C PRO A 25 4.985 -2.899 -6.853 1.00 0.00 C ATOM 380 O PRO A 25 4.166 -3.213 -7.707 1.00 0.00 O ATOM 381 CB PRO A 25 7.354 -2.904 -7.830 1.00 0.00 C ATOM 382 CG PRO A 25 8.260 -3.077 -6.618 1.00 0.00 C ATOM 383 CD PRO A 25 8.073 -1.775 -5.842 1.00 0.00 C ATOM 0 HA PRO A 25 5.816 -1.424 -8.070 1.00 0.00 H new ATOM 0 HB2 PRO A 25 7.010 -3.863 -8.217 1.00 0.00 H new ATOM 0 HB3 PRO A 25 7.866 -2.396 -8.647 1.00 0.00 H new ATOM 0 HG2 PRO A 25 7.972 -3.944 -6.023 1.00 0.00 H new ATOM 0 HG3 PRO A 25 9.299 -3.223 -6.912 1.00 0.00 H new ATOM 0 HD2 PRO A 25 8.176 -1.939 -4.769 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.825 -1.038 -6.125 1.00 0.00 H new ATOM 391 N TRP A 26 4.799 -3.241 -5.568 1.00 0.00 N ATOM 392 CA TRP A 26 3.561 -3.902 -5.168 1.00 0.00 C ATOM 393 C TRP A 26 2.406 -2.907 -5.291 1.00 0.00 C ATOM 394 O TRP A 26 1.383 -3.254 -5.875 1.00 0.00 O ATOM 395 CB TRP A 26 3.632 -4.503 -3.764 1.00 0.00 C ATOM 396 CG TRP A 26 2.317 -5.075 -3.315 1.00 0.00 C ATOM 397 CD1 TRP A 26 1.673 -4.745 -2.178 1.00 0.00 C ATOM 398 CD2 TRP A 26 1.448 -6.036 -3.988 1.00 0.00 C ATOM 399 NE1 TRP A 26 0.433 -5.354 -2.136 1.00 0.00 N ATOM 400 CE2 TRP A 26 0.249 -6.185 -3.227 1.00 0.00 C ATOM 401 CE3 TRP A 26 1.579 -6.843 -5.137 1.00 0.00 C ATOM 402 CZ2 TRP A 26 -0.767 -7.081 -3.615 1.00 0.00 C ATOM 403 CZ3 TRP A 26 0.600 -7.786 -5.492 1.00 0.00 C ATOM 404 CH2 TRP A 26 -0.574 -7.901 -4.734 1.00 0.00 C ATOM 0 H TRP A 26 5.468 -3.075 -4.816 1.00 0.00 H new ATOM 0 HA TRP A 26 3.395 -4.746 -5.838 1.00 0.00 H new ATOM 0 HB2 TRP A 26 4.390 -5.286 -3.745 1.00 0.00 H new ATOM 0 HB3 TRP A 26 3.950 -3.735 -3.059 1.00 0.00 H new ATOM 0 HD1 TRP A 26 2.069 -4.097 -1.410 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -0.256 -5.210 -1.398 1.00 0.00 H new ATOM 0 HE3 TRP A 26 2.454 -6.733 -5.760 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -1.688 -7.135 -3.054 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 0.752 -8.424 -6.350 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -1.329 -8.621 -5.013 1.00 0.00 H new ATOM 415 N ALA A 27 2.543 -1.661 -4.824 1.00 0.00 N ATOM 416 CA ALA A 27 1.507 -0.658 -5.049 1.00 0.00 C ATOM 417 C ALA A 27 1.261 -0.482 -6.556 1.00 0.00 C ATOM 418 O ALA A 27 0.109 -0.322 -6.970 1.00 0.00 O ATOM 419 CB ALA A 27 1.884 0.676 -4.396 1.00 0.00 C ATOM 0 H ALA A 27 3.350 -1.330 -4.296 1.00 0.00 H new ATOM 0 HA ALA A 27 0.583 -1.004 -4.585 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.095 1.406 -4.578 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.006 0.534 -3.322 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.820 1.038 -4.822 1.00 0.00 H new ATOM 425 N ALA A 28 2.315 -0.551 -7.381 1.00 0.00 N ATOM 426 CA ALA A 28 2.209 -0.500 -8.836 1.00 0.00 C ATOM 427 C ALA A 28 1.368 -1.671 -9.342 1.00 0.00 C ATOM 428 O ALA A 28 0.463 -1.466 -10.151 1.00 0.00 O ATOM 429 CB ALA A 28 3.596 -0.521 -9.497 1.00 0.00 C ATOM 0 H ALA A 28 3.274 -0.645 -7.047 1.00 0.00 H new ATOM 0 HA ALA A 28 1.721 0.436 -9.106 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.483 -0.482 -10.580 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.172 0.341 -9.161 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.118 -1.437 -9.219 1.00 0.00 H new ATOM 435 N GLN A 29 1.640 -2.877 -8.839 1.00 0.00 N ATOM 436 CA GLN A 29 0.928 -4.099 -9.168 1.00 0.00 C ATOM 437 C GLN A 29 -0.536 -3.954 -8.786 1.00 0.00 C ATOM 438 O GLN A 29 -1.386 -4.185 -9.632 1.00 0.00 O ATOM 439 CB GLN A 29 1.549 -5.320 -8.476 1.00 0.00 C ATOM 440 CG GLN A 29 2.768 -5.850 -9.236 1.00 0.00 C ATOM 441 CD GLN A 29 3.310 -7.154 -8.646 1.00 0.00 C ATOM 442 OE1 GLN A 29 2.602 -7.945 -8.033 1.00 0.00 O ATOM 443 NE2 GLN A 29 4.591 -7.405 -8.801 1.00 0.00 N ATOM 0 H GLN A 29 2.392 -3.028 -8.166 1.00 0.00 H new ATOM 0 HA GLN A 29 1.007 -4.263 -10.243 1.00 0.00 H new ATOM 0 HB2 GLN A 29 1.843 -5.051 -7.461 1.00 0.00 H new ATOM 0 HB3 GLN A 29 0.802 -6.109 -8.393 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.498 -6.013 -10.279 1.00 0.00 H new ATOM 0 HG3 GLN A 29 3.555 -5.096 -9.224 1.00 0.00 H new ATOM 0 HE21 GLN A 29 5.181 -6.748 -9.311 1.00 0.00 H new ATOM 0 HE22 GLN A 29 4.995 -8.257 -8.411 1.00 0.00 H new ATOM 452 N VAL A 30 -0.874 -3.523 -7.570 1.00 0.00 N ATOM 453 CA VAL A 30 -2.274 -3.389 -7.151 1.00 0.00 C ATOM 454 C VAL A 30 -3.028 -2.484 -8.122 1.00 0.00 C ATOM 455 O VAL A 30 -4.132 -2.807 -8.566 1.00 0.00 O ATOM 456 CB VAL A 30 -2.347 -2.856 -5.703 1.00 0.00 C ATOM 457 CG1 VAL A 30 -3.782 -2.552 -5.241 1.00 0.00 C ATOM 458 CG2 VAL A 30 -1.754 -3.881 -4.738 1.00 0.00 C ATOM 0 H VAL A 30 -0.197 -3.259 -6.854 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.752 -4.369 -7.169 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.781 -1.925 -5.697 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.763 -2.181 -4.216 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.222 -1.796 -5.892 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.380 -3.462 -5.287 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.810 -3.497 -3.720 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.316 -4.812 -4.806 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.712 -4.066 -4.999 1.00 0.00 H new ATOM 468 N SER A 31 -2.391 -1.382 -8.497 1.00 0.00 N ATOM 469 CA SER A 31 -2.924 -0.407 -9.422 1.00 0.00 C ATOM 470 C SER A 31 -3.118 -1.004 -10.823 1.00 0.00 C ATOM 471 O SER A 31 -4.021 -0.600 -11.561 1.00 0.00 O ATOM 472 CB SER A 31 -1.943 0.769 -9.432 1.00 0.00 C ATOM 473 OG SER A 31 -1.694 1.218 -8.108 1.00 0.00 O ATOM 0 H SER A 31 -1.462 -1.141 -8.152 1.00 0.00 H new ATOM 0 HA SER A 31 -3.914 -0.076 -9.109 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.007 0.466 -9.902 1.00 0.00 H new ATOM 0 HB3 SER A 31 -2.350 1.585 -10.029 1.00 0.00 H new ATOM 0 HG SER A 31 -0.831 0.870 -7.802 1.00 0.00 H new ATOM 479 N GLN A 32 -2.284 -1.968 -11.198 1.00 0.00 N ATOM 480 CA GLN A 32 -2.278 -2.663 -12.480 1.00 0.00 C ATOM 481 C GLN A 32 -3.304 -3.807 -12.472 1.00 0.00 C ATOM 482 O GLN A 32 -3.884 -4.117 -13.511 1.00 0.00 O ATOM 483 CB GLN A 32 -0.830 -3.132 -12.691 1.00 0.00 C ATOM 484 CG GLN A 32 -0.492 -3.888 -13.976 1.00 0.00 C ATOM 485 CD GLN A 32 1.009 -4.206 -14.038 1.00 0.00 C ATOM 486 OE1 GLN A 32 1.820 -3.753 -13.229 1.00 0.00 O ATOM 487 NE2 GLN A 32 1.437 -4.961 -15.027 1.00 0.00 N ATOM 0 H GLN A 32 -1.549 -2.306 -10.577 1.00 0.00 H new ATOM 0 HA GLN A 32 -2.579 -2.025 -13.311 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -0.186 -2.254 -12.643 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -0.562 -3.771 -11.849 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -1.067 -4.813 -14.022 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -0.779 -3.291 -14.842 1.00 0.00 H new ATOM 0 HE21 GLN A 32 0.774 -5.341 -15.702 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.432 -5.166 -15.118 1.00 0.00 H new ATOM 496 N LEU A 33 -3.566 -4.407 -11.308 1.00 0.00 N ATOM 497 CA LEU A 33 -4.551 -5.468 -11.120 1.00 0.00 C ATOM 498 C LEU A 33 -5.960 -4.888 -11.169 1.00 0.00 C ATOM 499 O LEU A 33 -6.820 -5.447 -11.845 1.00 0.00 O ATOM 500 CB LEU A 33 -4.354 -6.179 -9.766 1.00 0.00 C ATOM 501 CG LEU A 33 -3.078 -7.017 -9.579 1.00 0.00 C ATOM 502 CD1 LEU A 33 -3.152 -7.830 -8.283 1.00 0.00 C ATOM 503 CD2 LEU A 33 -2.824 -7.921 -10.780 1.00 0.00 C ATOM 0 H LEU A 33 -3.082 -4.158 -10.445 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.415 -6.192 -11.923 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.376 -5.421 -8.983 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.211 -6.832 -9.602 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.235 -6.331 -9.504 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.240 -8.416 -8.169 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.257 -7.154 -7.435 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.011 -8.500 -8.322 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.915 -8.499 -10.615 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.667 -8.600 -10.909 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.708 -7.311 -11.676 1.00 0.00 H new ATOM 515 N SER A 34 -6.165 -3.766 -10.474 1.00 0.00 N ATOM 516 CA SER A 34 -7.443 -3.087 -10.262 1.00 0.00 C ATOM 517 C SER A 34 -8.328 -3.965 -9.374 1.00 0.00 C ATOM 518 O SER A 34 -8.932 -4.941 -9.830 1.00 0.00 O ATOM 519 CB SER A 34 -8.104 -2.718 -11.600 1.00 0.00 C ATOM 520 OG SER A 34 -9.202 -1.839 -11.436 1.00 0.00 O ATOM 0 H SER A 34 -5.394 -3.279 -10.017 1.00 0.00 H new ATOM 0 HA SER A 34 -7.284 -2.140 -9.746 1.00 0.00 H new ATOM 0 HB2 SER A 34 -7.364 -2.253 -12.251 1.00 0.00 H new ATOM 0 HB3 SER A 34 -8.441 -3.627 -12.098 1.00 0.00 H new ATOM 0 HG SER A 34 -9.589 -1.631 -12.312 1.00 0.00 H new ATOM 526 N LEU A 35 -8.372 -3.669 -8.074 1.00 0.00 N ATOM 527 CA LEU A 35 -9.121 -4.452 -7.088 1.00 0.00 C ATOM 528 C LEU A 35 -10.413 -3.705 -6.721 1.00 0.00 C ATOM 529 O LEU A 35 -10.453 -2.480 -6.868 1.00 0.00 O ATOM 530 CB LEU A 35 -8.232 -4.707 -5.854 1.00 0.00 C ATOM 531 CG LEU A 35 -7.330 -5.953 -5.968 1.00 0.00 C ATOM 532 CD1 LEU A 35 -6.451 -5.982 -7.215 1.00 0.00 C ATOM 533 CD2 LEU A 35 -6.388 -6.020 -4.767 1.00 0.00 C ATOM 0 H LEU A 35 -7.883 -2.870 -7.671 1.00 0.00 H new ATOM 0 HA LEU A 35 -9.401 -5.421 -7.502 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.604 -3.832 -5.686 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -8.870 -4.814 -4.977 1.00 0.00 H new ATOM 0 HG LEU A 35 -8.018 -6.797 -6.016 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.850 -6.891 -7.215 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -7.081 -5.963 -8.105 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.794 -5.113 -7.217 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.753 -6.902 -4.852 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.766 -5.125 -4.742 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.973 -6.081 -3.849 1.00 0.00 H new ATOM 545 N PRO A 36 -11.452 -4.403 -6.219 1.00 0.00 N ATOM 546 CA PRO A 36 -12.737 -3.814 -5.845 1.00 0.00 C ATOM 547 C PRO A 36 -12.587 -2.904 -4.616 1.00 0.00 C ATOM 548 O PRO A 36 -12.177 -1.754 -4.775 1.00 0.00 O ATOM 549 CB PRO A 36 -13.701 -4.996 -5.709 1.00 0.00 C ATOM 550 CG PRO A 36 -12.784 -6.150 -5.313 1.00 0.00 C ATOM 551 CD PRO A 36 -11.534 -5.854 -6.136 1.00 0.00 C ATOM 0 HA PRO A 36 -13.145 -3.129 -6.589 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.463 -4.809 -4.952 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -14.223 -5.199 -6.644 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -12.576 -6.158 -4.243 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -13.217 -7.119 -5.561 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -10.645 -6.270 -5.662 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -11.604 -6.300 -7.128 1.00 0.00 H new ATOM 559 N LYS A 37 -12.888 -3.350 -3.388 1.00 0.00 N ATOM 560 CA LYS A 37 -12.620 -2.529 -2.206 1.00 0.00 C ATOM 561 C LYS A 37 -12.192 -3.343 -1.010 1.00 0.00 C ATOM 562 O LYS A 37 -11.174 -3.021 -0.418 1.00 0.00 O ATOM 563 CB LYS A 37 -13.809 -1.632 -1.848 1.00 0.00 C ATOM 564 CG LYS A 37 -13.414 -0.479 -0.902 1.00 0.00 C ATOM 565 CD LYS A 37 -12.196 0.341 -1.353 1.00 0.00 C ATOM 566 CE LYS A 37 -11.994 1.595 -0.499 1.00 0.00 C ATOM 567 NZ LYS A 37 -10.811 2.355 -0.949 1.00 0.00 N ATOM 0 H LYS A 37 -13.309 -4.258 -3.192 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.780 -1.889 -2.478 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -14.236 -1.218 -2.762 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -14.586 -2.234 -1.377 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -14.266 0.192 -0.796 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -13.209 -0.893 0.085 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -11.302 -0.280 -1.300 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -12.321 0.630 -2.396 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -12.881 2.226 -0.558 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.873 1.312 0.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -10.372 2.828 -0.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.125 1.705 -1.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -11.102 3.068 -1.648 1.00 0.00 H new ATOM 581 N LEU A 38 -12.910 -4.406 -0.681 1.00 0.00 N ATOM 582 CA LEU A 38 -12.508 -5.324 0.379 1.00 0.00 C ATOM 583 C LEU A 38 -11.153 -5.925 0.018 1.00 0.00 C ATOM 584 O LEU A 38 -10.206 -5.871 0.797 1.00 0.00 O ATOM 585 CB LEU A 38 -13.575 -6.417 0.552 1.00 0.00 C ATOM 586 CG LEU A 38 -13.141 -7.591 1.455 1.00 0.00 C ATOM 587 CD1 LEU A 38 -12.718 -7.117 2.847 1.00 0.00 C ATOM 588 CD2 LEU A 38 -14.303 -8.581 1.568 1.00 0.00 C ATOM 0 H LEU A 38 -13.786 -4.658 -1.139 1.00 0.00 H new ATOM 0 HA LEU A 38 -12.417 -4.794 1.327 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -14.475 -5.966 0.969 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -13.840 -6.808 -0.430 1.00 0.00 H new ATOM 0 HG LEU A 38 -12.274 -8.072 1.003 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -12.421 -7.976 3.449 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -11.878 -6.428 2.757 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -13.554 -6.609 3.328 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -14.009 -9.416 2.204 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -15.167 -8.080 2.004 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -14.561 -8.953 0.577 1.00 0.00 H new ATOM 600 N VAL A 39 -11.052 -6.471 -1.194 1.00 0.00 N ATOM 601 CA VAL A 39 -9.828 -7.094 -1.676 1.00 0.00 C ATOM 602 C VAL A 39 -8.734 -6.026 -1.798 1.00 0.00 C ATOM 603 O VAL A 39 -7.579 -6.297 -1.482 1.00 0.00 O ATOM 604 CB VAL A 39 -10.095 -7.826 -3.010 1.00 0.00 C ATOM 605 CG1 VAL A 39 -8.933 -8.754 -3.380 1.00 0.00 C ATOM 606 CG2 VAL A 39 -11.400 -8.642 -2.985 1.00 0.00 C ATOM 0 H VAL A 39 -11.819 -6.492 -1.866 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.480 -7.847 -0.968 1.00 0.00 H new ATOM 0 HB VAL A 39 -10.193 -7.045 -3.764 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -9.153 -9.254 -4.323 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.019 -8.169 -3.483 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -8.800 -9.500 -2.597 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -11.539 -9.136 -3.947 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -11.345 -9.392 -2.196 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -12.242 -7.976 -2.794 1.00 0.00 H new ATOM 616 N GLU A 40 -9.095 -4.801 -2.209 1.00 0.00 N ATOM 617 CA GLU A 40 -8.156 -3.682 -2.262 1.00 0.00 C ATOM 618 C GLU A 40 -7.618 -3.445 -0.850 1.00 0.00 C ATOM 619 O GLU A 40 -6.411 -3.371 -0.668 1.00 0.00 O ATOM 620 CB GLU A 40 -8.830 -2.423 -2.842 1.00 0.00 C ATOM 621 CG GLU A 40 -7.876 -1.226 -2.948 1.00 0.00 C ATOM 622 CD GLU A 40 -8.622 0.082 -3.219 1.00 0.00 C ATOM 623 OE1 GLU A 40 -8.870 0.422 -4.400 1.00 0.00 O ATOM 624 OE2 GLU A 40 -8.958 0.805 -2.253 1.00 0.00 O ATOM 0 H GLU A 40 -10.040 -4.564 -2.511 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.325 -3.917 -2.927 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.226 -2.653 -3.831 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.678 -2.150 -2.214 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.307 -1.133 -2.023 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.157 -1.405 -3.748 1.00 0.00 H new ATOM 631 N GLN A 41 -8.488 -3.385 0.161 1.00 0.00 N ATOM 632 CA GLN A 41 -8.121 -3.156 1.548 1.00 0.00 C ATOM 633 C GLN A 41 -7.179 -4.244 2.066 1.00 0.00 C ATOM 634 O GLN A 41 -6.334 -3.947 2.904 1.00 0.00 O ATOM 635 CB GLN A 41 -9.391 -3.018 2.400 1.00 0.00 C ATOM 636 CG GLN A 41 -9.103 -2.355 3.748 1.00 0.00 C ATOM 637 CD GLN A 41 -10.370 -1.761 4.350 1.00 0.00 C ATOM 638 OE1 GLN A 41 -10.951 -2.273 5.299 1.00 0.00 O ATOM 639 NE2 GLN A 41 -10.835 -0.636 3.858 1.00 0.00 N ATOM 0 H GLN A 41 -9.493 -3.498 0.027 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.565 -2.222 1.621 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -10.131 -2.430 1.857 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.826 -4.004 2.566 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.680 -3.089 4.434 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.356 -1.572 3.619 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -10.366 -0.193 3.068 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -11.665 -0.205 4.266 1.00 0.00 H new ATOM 648 N VAL A 42 -7.297 -5.484 1.590 1.00 0.00 N ATOM 649 CA VAL A 42 -6.361 -6.553 1.922 1.00 0.00 C ATOM 650 C VAL A 42 -5.012 -6.222 1.285 1.00 0.00 C ATOM 651 O VAL A 42 -4.009 -6.157 1.991 1.00 0.00 O ATOM 652 CB VAL A 42 -6.951 -7.911 1.487 1.00 0.00 C ATOM 653 CG1 VAL A 42 -5.925 -9.050 1.406 1.00 0.00 C ATOM 654 CG2 VAL A 42 -8.058 -8.290 2.480 1.00 0.00 C ATOM 0 H VAL A 42 -8.047 -5.774 0.962 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.197 -6.633 2.997 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.332 -7.785 0.474 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.424 -9.967 1.093 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.152 -8.793 0.682 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.470 -9.200 2.385 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -8.491 -9.248 2.193 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -7.637 -8.368 3.482 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.833 -7.524 2.471 1.00 0.00 H new ATOM 664 N ALA A 43 -4.974 -5.971 -0.027 1.00 0.00 N ATOM 665 CA ALA A 43 -3.741 -5.663 -0.740 1.00 0.00 C ATOM 666 C ALA A 43 -3.055 -4.393 -0.216 1.00 0.00 C ATOM 667 O ALA A 43 -1.835 -4.290 -0.299 1.00 0.00 O ATOM 668 CB ALA A 43 -4.044 -5.530 -2.231 1.00 0.00 C ATOM 0 H ALA A 43 -5.803 -5.977 -0.622 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.043 -6.483 -0.570 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.125 -5.299 -2.770 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.458 -6.467 -2.603 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.766 -4.728 -2.385 1.00 0.00 H new ATOM 674 N LEU A 44 -3.828 -3.439 0.310 1.00 0.00 N ATOM 675 CA LEU A 44 -3.365 -2.214 0.950 1.00 0.00 C ATOM 676 C LEU A 44 -2.795 -2.511 2.338 1.00 0.00 C ATOM 677 O LEU A 44 -1.810 -1.885 2.722 1.00 0.00 O ATOM 678 CB LEU A 44 -4.532 -1.216 1.097 1.00 0.00 C ATOM 679 CG LEU A 44 -4.977 -0.486 -0.186 1.00 0.00 C ATOM 680 CD1 LEU A 44 -6.223 0.355 0.115 1.00 0.00 C ATOM 681 CD2 LEU A 44 -3.890 0.429 -0.754 1.00 0.00 C ATOM 0 H LEU A 44 -4.846 -3.508 0.298 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.585 -1.783 0.323 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.391 -1.752 1.500 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.249 -0.466 1.836 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.189 -1.251 -0.933 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.540 0.872 -0.790 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.026 -0.296 0.461 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.990 1.087 0.888 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.259 0.916 -1.656 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.628 1.186 -0.014 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.007 -0.162 -0.997 1.00 0.00 H new ATOM 693 N ASN A 45 -3.406 -3.422 3.108 1.00 0.00 N ATOM 694 CA ASN A 45 -2.988 -3.735 4.480 1.00 0.00 C ATOM 695 C ASN A 45 -1.851 -4.758 4.526 1.00 0.00 C ATOM 696 O ASN A 45 -1.503 -5.230 5.614 1.00 0.00 O ATOM 697 CB ASN A 45 -4.183 -4.219 5.321 1.00 0.00 C ATOM 698 CG ASN A 45 -4.958 -3.052 5.909 1.00 0.00 C ATOM 699 OD1 ASN A 45 -4.439 -2.314 6.731 1.00 0.00 O ATOM 700 ND2 ASN A 45 -6.207 -2.874 5.524 1.00 0.00 N ATOM 0 H ASN A 45 -4.210 -3.966 2.793 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.606 -2.810 4.911 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.846 -4.822 4.700 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.827 -4.863 6.125 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -6.757 -2.109 5.914 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -6.623 -3.502 4.836 1.00 0.00 H new ATOM 707 N ALA A 46 -1.267 -5.125 3.383 1.00 0.00 N ATOM 708 CA ALA A 46 -0.192 -6.088 3.304 1.00 0.00 C ATOM 709 C ALA A 46 0.877 -5.637 2.331 1.00 0.00 C ATOM 710 O ALA A 46 0.588 -4.924 1.377 1.00 0.00 O ATOM 711 CB ALA A 46 -0.746 -7.429 2.816 1.00 0.00 C ATOM 0 H ALA A 46 -1.541 -4.748 2.476 1.00 0.00 H new ATOM 0 HA ALA A 46 0.246 -6.184 4.297 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.063 -8.157 2.756 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.503 -7.786 3.514 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.193 -7.301 1.830 1.00 0.00 H new ATOM 717 N TRP A 47 2.104 -6.088 2.566 1.00 0.00 N ATOM 718 CA TRP A 47 3.228 -5.881 1.669 1.00 0.00 C ATOM 719 C TRP A 47 3.470 -7.243 1.033 1.00 0.00 C ATOM 720 O TRP A 47 3.268 -8.289 1.658 1.00 0.00 O ATOM 721 CB TRP A 47 4.455 -5.330 2.390 1.00 0.00 C ATOM 722 CG TRP A 47 4.965 -6.122 3.545 1.00 0.00 C ATOM 723 CD1 TRP A 47 4.558 -5.976 4.825 1.00 0.00 C ATOM 724 CD2 TRP A 47 5.985 -7.168 3.561 1.00 0.00 C ATOM 725 NE1 TRP A 47 5.322 -6.777 5.639 1.00 0.00 N ATOM 726 CE2 TRP A 47 6.228 -7.521 4.919 1.00 0.00 C ATOM 727 CE3 TRP A 47 6.729 -7.861 2.576 1.00 0.00 C ATOM 728 CZ2 TRP A 47 7.184 -8.472 5.282 1.00 0.00 C ATOM 729 CZ3 TRP A 47 7.667 -8.849 2.936 1.00 0.00 C ATOM 730 CH2 TRP A 47 7.904 -9.148 4.286 1.00 0.00 C ATOM 0 H TRP A 47 2.347 -6.618 3.403 1.00 0.00 H new ATOM 0 HA TRP A 47 3.016 -5.123 0.915 1.00 0.00 H new ATOM 0 HB2 TRP A 47 5.261 -5.231 1.663 1.00 0.00 H new ATOM 0 HB3 TRP A 47 4.220 -4.326 2.743 1.00 0.00 H new ATOM 0 HD1 TRP A 47 3.758 -5.331 5.156 1.00 0.00 H new ATOM 0 HE1 TRP A 47 5.229 -6.815 6.654 1.00 0.00 H new ATOM 0 HE3 TRP A 47 6.575 -7.629 1.532 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 7.368 -8.686 6.324 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 8.208 -9.380 2.167 1.00 0.00 H new ATOM 0 HH2 TRP A 47 8.636 -9.894 4.557 1.00 0.00 H new ATOM 741 N LYS A 48 3.868 -7.242 -0.232 1.00 0.00 N ATOM 742 CA LYS A 48 4.001 -8.459 -1.009 1.00 0.00 C ATOM 743 C LYS A 48 5.395 -9.046 -0.977 1.00 0.00 C ATOM 744 O LYS A 48 6.338 -8.404 -1.435 1.00 0.00 O ATOM 745 CB LYS A 48 3.510 -8.145 -2.432 1.00 0.00 C ATOM 746 CG LYS A 48 3.594 -9.298 -3.432 1.00 0.00 C ATOM 747 CD LYS A 48 4.852 -9.298 -4.325 1.00 0.00 C ATOM 748 CE LYS A 48 4.869 -8.173 -5.368 1.00 0.00 C ATOM 749 NZ LYS A 48 6.233 -7.928 -5.882 1.00 0.00 N ATOM 0 H LYS A 48 4.107 -6.394 -0.746 1.00 0.00 H new ATOM 0 HA LYS A 48 3.389 -9.245 -0.567 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.473 -7.814 -2.374 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.091 -7.308 -2.821 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.557 -10.239 -2.883 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.712 -9.268 -4.072 1.00 0.00 H new ATOM 0 HD2 LYS A 48 5.735 -9.208 -3.693 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.923 -10.257 -4.837 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.209 -8.433 -6.196 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.477 -7.258 -4.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.177 -7.414 -6.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 6.767 -7.360 -5.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 6.716 -8.837 -6.030 1.00 0.00 H new ATOM 763 N GLU A 49 5.548 -10.212 -0.365 1.00 0.00 N ATOM 764 CA GLU A 49 6.791 -10.960 -0.394 1.00 0.00 C ATOM 765 C GLU A 49 6.661 -11.748 -1.697 1.00 0.00 C ATOM 766 O GLU A 49 5.567 -12.184 -2.064 1.00 0.00 O ATOM 767 CB GLU A 49 6.901 -11.917 0.796 1.00 0.00 C ATOM 768 CG GLU A 49 8.128 -12.843 0.704 1.00 0.00 C ATOM 769 CD GLU A 49 8.210 -13.809 1.883 1.00 0.00 C ATOM 770 OE1 GLU A 49 7.155 -14.182 2.441 1.00 0.00 O ATOM 771 OE2 GLU A 49 9.339 -14.173 2.287 1.00 0.00 O ATOM 0 H GLU A 49 4.807 -10.666 0.168 1.00 0.00 H new ATOM 0 HA GLU A 49 7.675 -10.325 -0.338 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.956 -11.338 1.718 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.997 -12.523 0.854 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.084 -13.410 -0.226 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.035 -12.239 0.667 1.00 0.00 H new ATOM 778 N GLU A 50 7.762 -11.951 -2.398 1.00 0.00 N ATOM 779 CA GLU A 50 7.808 -12.618 -3.684 1.00 0.00 C ATOM 780 C GLU A 50 8.984 -13.572 -3.597 1.00 0.00 C ATOM 781 O GLU A 50 10.068 -13.178 -3.153 1.00 0.00 O ATOM 782 CB GLU A 50 7.930 -11.530 -4.758 1.00 0.00 C ATOM 783 CG GLU A 50 8.689 -11.894 -6.039 1.00 0.00 C ATOM 784 CD GLU A 50 8.907 -10.676 -6.947 1.00 0.00 C ATOM 785 OE1 GLU A 50 8.394 -9.567 -6.648 1.00 0.00 O ATOM 786 OE2 GLU A 50 9.569 -10.851 -7.993 1.00 0.00 O ATOM 0 H GLU A 50 8.680 -11.645 -2.075 1.00 0.00 H new ATOM 0 HA GLU A 50 6.924 -13.199 -3.946 1.00 0.00 H new ATOM 0 HB2 GLU A 50 6.924 -11.217 -5.038 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.419 -10.665 -4.309 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.654 -12.328 -5.777 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.134 -12.657 -6.584 1.00 0.00 H new ATOM 793 N SER A 51 8.754 -14.817 -3.984 1.00 0.00 N ATOM 794 CA SER A 51 9.668 -15.932 -3.884 1.00 0.00 C ATOM 795 C SER A 51 9.697 -16.636 -5.236 1.00 0.00 C ATOM 796 O SER A 51 8.972 -16.251 -6.157 1.00 0.00 O ATOM 797 CB SER A 51 9.199 -16.858 -2.753 1.00 0.00 C ATOM 798 OG SER A 51 9.251 -16.193 -1.504 1.00 0.00 O ATOM 0 H SER A 51 7.864 -15.087 -4.403 1.00 0.00 H new ATOM 0 HA SER A 51 10.681 -15.609 -3.642 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.180 -17.193 -2.950 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.827 -17.749 -2.722 1.00 0.00 H new ATOM 0 HG SER A 51 8.947 -16.800 -0.797 1.00 0.00 H new ATOM 804 N ASP A 52 10.523 -17.677 -5.334 1.00 0.00 N ATOM 805 CA ASP A 52 10.832 -18.448 -6.536 1.00 0.00 C ATOM 806 C ASP A 52 9.651 -18.585 -7.498 1.00 0.00 C ATOM 807 O ASP A 52 9.780 -18.243 -8.675 1.00 0.00 O ATOM 808 CB ASP A 52 11.309 -19.836 -6.104 1.00 0.00 C ATOM 809 CG ASP A 52 11.450 -20.766 -7.305 1.00 0.00 C ATOM 810 OD1 ASP A 52 12.452 -20.644 -8.046 1.00 0.00 O ATOM 811 OD2 ASP A 52 10.541 -21.600 -7.508 1.00 0.00 O ATOM 0 H ASP A 52 11.028 -18.027 -4.520 1.00 0.00 H new ATOM 0 HA ASP A 52 11.605 -17.908 -7.084 1.00 0.00 H new ATOM 0 HB2 ASP A 52 12.267 -19.751 -5.591 1.00 0.00 H new ATOM 0 HB3 ASP A 52 10.602 -20.261 -5.391 1.00 0.00 H new ATOM 816 N ASN A 53 8.512 -19.059 -6.998 1.00 0.00 N ATOM 817 CA ASN A 53 7.268 -19.214 -7.752 1.00 0.00 C ATOM 818 C ASN A 53 6.037 -18.878 -6.885 1.00 0.00 C ATOM 819 O ASN A 53 4.922 -19.279 -7.230 1.00 0.00 O ATOM 820 CB ASN A 53 7.209 -20.647 -8.333 1.00 0.00 C ATOM 821 CG ASN A 53 7.820 -20.753 -9.721 1.00 0.00 C ATOM 822 OD1 ASN A 53 7.168 -20.444 -10.714 1.00 0.00 O ATOM 823 ND2 ASN A 53 9.043 -21.243 -9.854 1.00 0.00 N ATOM 0 H ASN A 53 8.426 -19.356 -6.026 1.00 0.00 H new ATOM 0 HA ASN A 53 7.251 -18.504 -8.579 1.00 0.00 H new ATOM 0 HB2 ASN A 53 7.731 -21.327 -7.660 1.00 0.00 H new ATOM 0 HB3 ASN A 53 6.170 -20.974 -8.374 1.00 0.00 H new ATOM 0 HD21 ASN A 53 9.445 -21.364 -10.783 1.00 0.00 H new ATOM 0 HD22 ASN A 53 9.583 -21.499 -9.027 1.00 0.00 H new ATOM 830 N ALA A 54 6.184 -18.161 -5.758 1.00 0.00 N ATOM 831 CA ALA A 54 5.078 -17.921 -4.830 1.00 0.00 C ATOM 832 C ALA A 54 5.113 -16.479 -4.348 1.00 0.00 C ATOM 833 O ALA A 54 6.162 -15.835 -4.411 1.00 0.00 O ATOM 834 CB ALA A 54 5.169 -18.892 -3.650 1.00 0.00 C ATOM 0 H ALA A 54 7.066 -17.737 -5.471 1.00 0.00 H new ATOM 0 HA ALA A 54 4.131 -18.090 -5.343 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.343 -18.708 -2.963 1.00 0.00 H new ATOM 0 HB2 ALA A 54 5.114 -19.917 -4.017 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.115 -18.743 -3.129 1.00 0.00 H new ATOM 840 N VAL A 55 3.977 -15.980 -3.862 1.00 0.00 N ATOM 841 CA VAL A 55 3.820 -14.582 -3.477 1.00 0.00 C ATOM 842 C VAL A 55 2.998 -14.506 -2.182 1.00 0.00 C ATOM 843 O VAL A 55 1.797 -14.753 -2.180 1.00 0.00 O ATOM 844 CB VAL A 55 3.224 -13.799 -4.675 1.00 0.00 C ATOM 845 CG1 VAL A 55 2.955 -12.345 -4.318 1.00 0.00 C ATOM 846 CG2 VAL A 55 4.196 -13.738 -5.872 1.00 0.00 C ATOM 0 H VAL A 55 3.136 -16.540 -3.724 1.00 0.00 H new ATOM 0 HA VAL A 55 4.774 -14.107 -3.250 1.00 0.00 H new ATOM 0 HB VAL A 55 2.309 -14.335 -4.928 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.538 -11.829 -5.183 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.246 -12.298 -3.491 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.888 -11.864 -4.024 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.735 -13.180 -6.687 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.117 -13.241 -5.568 1.00 0.00 H new ATOM 0 HG23 VAL A 55 4.423 -14.750 -6.208 1.00 0.00 H new ATOM 856 N CYS A 56 3.624 -14.185 -1.050 1.00 0.00 N ATOM 857 CA CYS A 56 2.953 -14.144 0.248 1.00 0.00 C ATOM 858 C CYS A 56 2.689 -12.691 0.640 1.00 0.00 C ATOM 859 O CYS A 56 3.622 -11.923 0.849 1.00 0.00 O ATOM 860 CB CYS A 56 3.803 -14.864 1.301 1.00 0.00 C ATOM 861 SG CYS A 56 3.881 -16.642 0.938 1.00 0.00 S ATOM 0 H CYS A 56 4.615 -13.945 -1.008 1.00 0.00 H new ATOM 0 HA CYS A 56 1.995 -14.660 0.185 1.00 0.00 H new ATOM 0 HB2 CYS A 56 4.809 -14.444 1.316 1.00 0.00 H new ATOM 0 HB3 CYS A 56 3.377 -14.706 2.292 1.00 0.00 H new ATOM 0 HG CYS A 56 4.606 -17.237 1.838 1.00 0.00 H new ATOM 867 N LEU A 57 1.428 -12.279 0.745 1.00 0.00 N ATOM 868 CA LEU A 57 1.066 -10.954 1.238 1.00 0.00 C ATOM 869 C LEU A 57 1.164 -10.953 2.758 1.00 0.00 C ATOM 870 O LEU A 57 0.330 -11.554 3.433 1.00 0.00 O ATOM 871 CB LEU A 57 -0.336 -10.551 0.753 1.00 0.00 C ATOM 872 CG LEU A 57 -0.266 -9.888 -0.631 1.00 0.00 C ATOM 873 CD1 LEU A 57 -1.650 -9.724 -1.243 1.00 0.00 C ATOM 874 CD2 LEU A 57 0.334 -8.484 -0.593 1.00 0.00 C ATOM 0 H LEU A 57 0.627 -12.857 0.490 1.00 0.00 H new ATOM 0 HA LEU A 57 1.757 -10.210 0.841 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.977 -11.432 0.707 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.789 -9.864 1.468 1.00 0.00 H new ATOM 0 HG LEU A 57 0.364 -10.556 -1.218 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.562 -9.252 -2.221 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.117 -10.703 -1.353 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.264 -9.100 -0.593 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.356 -8.070 -1.601 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.274 -7.846 0.048 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.349 -8.533 -0.199 1.00 0.00 H new ATOM 886 N HIS A 58 2.197 -10.312 3.301 1.00 0.00 N ATOM 887 CA HIS A 58 2.388 -10.108 4.732 1.00 0.00 C ATOM 888 C HIS A 58 1.421 -9.031 5.182 1.00 0.00 C ATOM 889 O HIS A 58 1.708 -7.844 5.023 1.00 0.00 O ATOM 890 CB HIS A 58 3.830 -9.678 5.017 1.00 0.00 C ATOM 891 CG HIS A 58 4.835 -10.797 4.958 1.00 0.00 C ATOM 892 ND1 HIS A 58 5.744 -11.145 5.945 1.00 0.00 N ATOM 893 CD2 HIS A 58 5.069 -11.580 3.863 1.00 0.00 C ATOM 894 CE1 HIS A 58 6.497 -12.143 5.445 1.00 0.00 C ATOM 895 NE2 HIS A 58 6.087 -12.440 4.204 1.00 0.00 N ATOM 0 H HIS A 58 2.946 -9.909 2.738 1.00 0.00 H new ATOM 0 HA HIS A 58 2.200 -11.035 5.274 1.00 0.00 H new ATOM 0 HB2 HIS A 58 4.116 -8.910 4.298 1.00 0.00 H new ATOM 0 HB3 HIS A 58 3.871 -9.220 6.005 1.00 0.00 H new ATOM 0 HD2 HIS A 58 4.555 -11.533 2.914 1.00 0.00 H new ATOM 0 HE1 HIS A 58 7.308 -12.630 5.965 1.00 0.00 H new ATOM 0 HE2 HIS A 58 6.466 -13.179 3.612 1.00 0.00 H new ATOM 904 N LEU A 59 0.253 -9.437 5.666 1.00 0.00 N ATOM 905 CA LEU A 59 -0.778 -8.534 6.150 1.00 0.00 C ATOM 906 C LEU A 59 -0.531 -8.270 7.627 1.00 0.00 C ATOM 907 O LEU A 59 -0.209 -9.196 8.377 1.00 0.00 O ATOM 908 CB LEU A 59 -2.136 -9.213 5.937 1.00 0.00 C ATOM 909 CG LEU A 59 -3.380 -8.310 6.105 1.00 0.00 C ATOM 910 CD1 LEU A 59 -4.108 -8.038 4.784 1.00 0.00 C ATOM 911 CD2 LEU A 59 -4.392 -9.059 6.965 1.00 0.00 C ATOM 0 H LEU A 59 -0.006 -10.421 5.733 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.763 -7.583 5.617 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.154 -9.639 4.934 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.218 -10.044 6.637 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.030 -7.370 6.531 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.971 -7.399 4.969 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.430 -7.540 4.091 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.441 -8.981 4.351 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.281 -8.443 7.100 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.668 -9.992 6.473 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.952 -9.278 7.938 1.00 0.00 H new ATOM 923 N ARG A 60 -0.724 -7.028 8.059 1.00 0.00 N ATOM 924 CA ARG A 60 -0.558 -6.648 9.458 1.00 0.00 C ATOM 925 C ARG A 60 -1.589 -7.401 10.301 1.00 0.00 C ATOM 926 O ARG A 60 -2.785 -7.326 10.000 1.00 0.00 O ATOM 927 CB ARG A 60 -0.745 -5.127 9.604 1.00 0.00 C ATOM 928 CG ARG A 60 0.208 -4.270 8.749 1.00 0.00 C ATOM 929 CD ARG A 60 1.647 -4.207 9.293 1.00 0.00 C ATOM 930 NE ARG A 60 1.985 -2.838 9.719 1.00 0.00 N ATOM 931 CZ ARG A 60 1.692 -2.286 10.899 1.00 0.00 C ATOM 932 NH1 ARG A 60 1.226 -3.021 11.907 1.00 0.00 N ATOM 933 NH2 ARG A 60 1.840 -0.978 11.063 1.00 0.00 N ATOM 0 H ARG A 60 -1.000 -6.257 7.450 1.00 0.00 H new ATOM 0 HA ARG A 60 0.443 -6.907 9.803 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -1.772 -4.875 9.340 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -0.610 -4.858 10.652 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.230 -4.670 7.735 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.190 -3.257 8.683 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.753 -4.891 10.135 1.00 0.00 H new ATOM 0 HD3 ARG A 60 2.346 -4.537 8.524 1.00 0.00 H new ATOM 0 HE ARG A 60 2.490 -2.257 9.050 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.087 -4.024 11.785 1.00 0.00 H new ATOM 0 HH12 ARG A 60 1.008 -2.581 12.801 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.175 -0.402 10.291 1.00 0.00 H new ATOM 0 HH22 ARG A 60 1.618 -0.548 11.961 1.00 0.00 H new ATOM 947 N SER A 61 -1.178 -8.084 11.375 1.00 0.00 N ATOM 948 CA SER A 61 -2.105 -8.731 12.298 1.00 0.00 C ATOM 949 C SER A 61 -3.129 -7.744 12.853 1.00 0.00 C ATOM 950 O SER A 61 -4.292 -8.102 13.049 1.00 0.00 O ATOM 951 CB SER A 61 -1.349 -9.360 13.465 1.00 0.00 C ATOM 952 OG SER A 61 -0.448 -10.332 12.972 1.00 0.00 O ATOM 0 H SER A 61 -0.196 -8.201 11.625 1.00 0.00 H new ATOM 0 HA SER A 61 -2.629 -9.503 11.734 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.807 -8.592 14.017 1.00 0.00 H new ATOM 0 HB3 SER A 61 -2.050 -9.819 14.162 1.00 0.00 H new ATOM 0 HG SER A 61 0.039 -10.736 13.720 1.00 0.00 H new ATOM 958 N SER A 62 -2.721 -6.491 13.054 1.00 0.00 N ATOM 959 CA SER A 62 -3.571 -5.462 13.644 1.00 0.00 C ATOM 960 C SER A 62 -4.761 -5.102 12.742 1.00 0.00 C ATOM 961 O SER A 62 -5.756 -4.546 13.216 1.00 0.00 O ATOM 962 CB SER A 62 -2.715 -4.242 13.978 1.00 0.00 C ATOM 963 OG SER A 62 -1.617 -4.637 14.782 1.00 0.00 O ATOM 0 H SER A 62 -1.787 -6.162 12.810 1.00 0.00 H new ATOM 0 HA SER A 62 -4.009 -5.852 14.563 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.357 -3.774 13.061 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.314 -3.498 14.503 1.00 0.00 H new ATOM 0 HG SER A 62 -1.034 -5.234 14.269 1.00 0.00 H new ATOM 969 N GLN A 63 -4.695 -5.478 11.463 1.00 0.00 N ATOM 970 CA GLN A 63 -5.729 -5.288 10.455 1.00 0.00 C ATOM 971 C GLN A 63 -6.176 -6.646 9.868 1.00 0.00 C ATOM 972 O GLN A 63 -6.890 -6.691 8.862 1.00 0.00 O ATOM 973 CB GLN A 63 -5.243 -4.264 9.407 1.00 0.00 C ATOM 974 CG GLN A 63 -5.174 -2.817 9.948 1.00 0.00 C ATOM 975 CD GLN A 63 -4.035 -2.529 10.933 1.00 0.00 C ATOM 976 OE1 GLN A 63 -2.911 -3.001 10.797 1.00 0.00 O ATOM 977 NE2 GLN A 63 -4.299 -1.748 11.966 1.00 0.00 N ATOM 0 H GLN A 63 -3.872 -5.948 11.087 1.00 0.00 H new ATOM 0 HA GLN A 63 -6.628 -4.865 10.903 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -4.255 -4.559 9.053 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.912 -4.291 8.547 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -5.079 -2.137 9.102 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -6.120 -2.586 10.438 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -5.233 -1.354 12.082 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -3.569 -1.539 12.647 1.00 0.00 H new ATOM 986 N ARG A 64 -5.848 -7.772 10.528 1.00 0.00 N ATOM 987 CA ARG A 64 -6.222 -9.125 10.092 1.00 0.00 C ATOM 988 C ARG A 64 -7.728 -9.299 9.975 1.00 0.00 C ATOM 989 O ARG A 64 -8.171 -10.140 9.202 1.00 0.00 O ATOM 990 CB ARG A 64 -5.610 -10.188 11.027 1.00 0.00 C ATOM 991 CG ARG A 64 -5.591 -11.630 10.486 1.00 0.00 C ATOM 992 CD ARG A 64 -4.802 -11.699 9.177 1.00 0.00 C ATOM 993 NE ARG A 64 -4.512 -13.068 8.731 1.00 0.00 N ATOM 994 CZ ARG A 64 -3.667 -13.370 7.737 1.00 0.00 C ATOM 995 NH1 ARG A 64 -3.135 -12.410 6.990 1.00 0.00 N ATOM 996 NH2 ARG A 64 -3.333 -14.624 7.508 1.00 0.00 N ATOM 0 H ARG A 64 -5.307 -7.764 11.393 1.00 0.00 H new ATOM 0 HA ARG A 64 -5.811 -9.266 9.092 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -4.586 -9.894 11.258 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.164 -10.180 11.966 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -5.143 -12.296 11.224 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -6.611 -11.977 10.322 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -5.364 -11.184 8.398 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -3.862 -11.161 9.301 1.00 0.00 H new ATOM 0 HE ARG A 64 -4.984 -13.836 9.208 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -3.369 -11.434 7.171 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -2.492 -12.649 6.235 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -3.718 -15.369 8.089 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -2.689 -14.850 6.750 1.00 0.00 H new ATOM 1010 N HIS A 65 -8.496 -8.452 10.661 1.00 0.00 N ATOM 1011 CA HIS A 65 -9.944 -8.356 10.596 1.00 0.00 C ATOM 1012 C HIS A 65 -10.495 -8.461 9.171 1.00 0.00 C ATOM 1013 O HIS A 65 -11.528 -9.102 8.984 1.00 0.00 O ATOM 1014 CB HIS A 65 -10.316 -7.016 11.246 1.00 0.00 C ATOM 1015 CG HIS A 65 -11.784 -6.709 11.328 1.00 0.00 C ATOM 1016 ND1 HIS A 65 -12.733 -7.498 11.945 1.00 0.00 N ATOM 1017 CD2 HIS A 65 -12.374 -5.531 10.962 1.00 0.00 C ATOM 1018 CE1 HIS A 65 -13.884 -6.804 11.965 1.00 0.00 C ATOM 1019 NE2 HIS A 65 -13.691 -5.609 11.369 1.00 0.00 N ATOM 0 H HIS A 65 -8.095 -7.778 11.313 1.00 0.00 H new ATOM 0 HA HIS A 65 -10.394 -9.197 11.123 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -9.904 -6.998 12.255 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -9.828 -6.216 10.688 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -11.903 -4.702 10.454 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -14.815 -7.148 12.390 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -14.398 -4.886 11.241 1.00 0.00 H new ATOM 1028 N LEU A 66 -9.840 -7.848 8.176 1.00 0.00 N ATOM 1029 CA LEU A 66 -10.363 -7.820 6.810 1.00 0.00 C ATOM 1030 C LEU A 66 -10.006 -9.082 6.029 1.00 0.00 C ATOM 1031 O LEU A 66 -10.672 -9.361 5.037 1.00 0.00 O ATOM 1032 CB LEU A 66 -9.830 -6.601 6.019 1.00 0.00 C ATOM 1033 CG LEU A 66 -10.498 -5.239 6.292 1.00 0.00 C ATOM 1034 CD1 LEU A 66 -12.025 -5.303 6.178 1.00 0.00 C ATOM 1035 CD2 LEU A 66 -10.116 -4.670 7.662 1.00 0.00 C ATOM 0 H LEU A 66 -8.949 -7.366 8.294 1.00 0.00 H new ATOM 0 HA LEU A 66 -11.446 -7.752 6.913 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -8.765 -6.503 6.227 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.928 -6.819 4.956 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.120 -4.572 5.517 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -12.446 -4.318 6.379 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -12.302 -5.617 5.172 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -12.414 -6.019 6.902 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.611 -3.710 7.808 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -10.429 -5.362 8.444 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -9.036 -4.532 7.710 1.00 0.00 H new ATOM 1047 N ASN A 67 -8.983 -9.834 6.439 1.00 0.00 N ATOM 1048 CA ASN A 67 -8.488 -10.977 5.685 1.00 0.00 C ATOM 1049 C ASN A 67 -9.505 -12.093 5.614 1.00 0.00 C ATOM 1050 O ASN A 67 -9.838 -12.702 6.632 1.00 0.00 O ATOM 1051 CB ASN A 67 -7.203 -11.554 6.271 1.00 0.00 C ATOM 1052 CG ASN A 67 -6.609 -12.550 5.280 1.00 0.00 C ATOM 1053 OD1 ASN A 67 -6.387 -12.199 4.130 1.00 0.00 O ATOM 1054 ND2 ASN A 67 -6.357 -13.786 5.659 1.00 0.00 N ATOM 0 H ASN A 67 -8.476 -9.663 7.307 1.00 0.00 H new ATOM 0 HA ASN A 67 -8.289 -10.590 4.686 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -6.490 -10.755 6.475 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -7.410 -12.046 7.221 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -5.975 -14.456 4.992 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -6.544 -14.073 6.620 1.00 0.00 H new ATOM 1061 N ASN A 68 -9.991 -12.351 4.411 1.00 0.00 N ATOM 1062 CA ASN A 68 -10.881 -13.471 4.129 1.00 0.00 C ATOM 1063 C ASN A 68 -10.378 -14.224 2.907 1.00 0.00 C ATOM 1064 O ASN A 68 -9.783 -13.620 2.010 1.00 0.00 O ATOM 1065 CB ASN A 68 -12.331 -12.999 3.987 1.00 0.00 C ATOM 1066 CG ASN A 68 -12.572 -12.142 2.754 1.00 0.00 C ATOM 1067 OD1 ASN A 68 -12.123 -11.010 2.677 1.00 0.00 O ATOM 1068 ND2 ASN A 68 -13.312 -12.627 1.779 1.00 0.00 N ATOM 0 H ASN A 68 -9.777 -11.783 3.591 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.874 -14.166 4.969 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -12.986 -13.869 3.948 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -12.608 -12.431 4.875 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -13.511 -12.056 0.957 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -13.686 -13.573 1.845 1.00 0.00 H new ATOM 1075 N ARG A 69 -10.627 -15.532 2.827 1.00 0.00 N ATOM 1076 CA ARG A 69 -10.161 -16.317 1.683 1.00 0.00 C ATOM 1077 C ARG A 69 -10.886 -15.921 0.405 1.00 0.00 C ATOM 1078 O ARG A 69 -10.278 -15.960 -0.658 1.00 0.00 O ATOM 1079 CB ARG A 69 -10.248 -17.824 1.949 1.00 0.00 C ATOM 1080 CG ARG A 69 -9.165 -18.230 2.956 1.00 0.00 C ATOM 1081 CD ARG A 69 -8.979 -19.743 3.049 1.00 0.00 C ATOM 1082 NE ARG A 69 -7.924 -20.067 4.019 1.00 0.00 N ATOM 1083 CZ ARG A 69 -7.745 -21.246 4.617 1.00 0.00 C ATOM 1084 NH1 ARG A 69 -8.433 -22.309 4.218 1.00 0.00 N ATOM 1085 NH2 ARG A 69 -6.884 -21.357 5.619 1.00 0.00 N ATOM 0 H ARG A 69 -11.141 -16.064 3.529 1.00 0.00 H new ATOM 0 HA ARG A 69 -9.105 -16.086 1.540 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -11.234 -18.079 2.337 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -10.119 -18.376 1.018 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -8.219 -17.769 2.671 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -9.426 -17.840 3.940 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -9.915 -20.214 3.349 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -8.719 -20.145 2.070 1.00 0.00 H new ATOM 0 HE ARG A 69 -7.269 -19.322 4.257 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -9.101 -22.226 3.452 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -8.293 -23.209 4.678 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -6.359 -20.541 5.933 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -6.747 -22.258 6.076 1.00 0.00 H new ATOM 1099 N GLY A 70 -12.134 -15.462 0.491 1.00 0.00 N ATOM 1100 CA GLY A 70 -12.836 -14.943 -0.673 1.00 0.00 C ATOM 1101 C GLY A 70 -12.058 -13.796 -1.322 1.00 0.00 C ATOM 1102 O GLY A 70 -12.014 -13.714 -2.550 1.00 0.00 O ATOM 0 H GLY A 70 -12.676 -15.441 1.355 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -12.983 -15.743 -1.399 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -13.826 -14.594 -0.378 1.00 0.00 H new ATOM 1106 N ALA A 71 -11.411 -12.926 -0.530 1.00 0.00 N ATOM 1107 CA ALA A 71 -10.573 -11.879 -1.089 1.00 0.00 C ATOM 1108 C ALA A 71 -9.328 -12.491 -1.729 1.00 0.00 C ATOM 1109 O ALA A 71 -9.006 -12.132 -2.860 1.00 0.00 O ATOM 1110 CB ALA A 71 -10.229 -10.833 -0.021 1.00 0.00 C ATOM 0 H ALA A 71 -11.458 -12.934 0.489 1.00 0.00 H new ATOM 0 HA ALA A 71 -11.121 -11.358 -1.874 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -9.601 -10.058 -0.460 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -11.147 -10.385 0.358 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.694 -11.312 0.799 1.00 0.00 H new ATOM 1116 N GLN A 72 -8.668 -13.438 -1.052 1.00 0.00 N ATOM 1117 CA GLN A 72 -7.461 -14.099 -1.535 1.00 0.00 C ATOM 1118 C GLN A 72 -7.700 -14.718 -2.908 1.00 0.00 C ATOM 1119 O GLN A 72 -6.857 -14.547 -3.779 1.00 0.00 O ATOM 1120 CB GLN A 72 -6.963 -15.133 -0.505 1.00 0.00 C ATOM 1121 CG GLN A 72 -5.723 -15.952 -0.930 1.00 0.00 C ATOM 1122 CD GLN A 72 -6.045 -17.096 -1.901 1.00 0.00 C ATOM 1123 OE1 GLN A 72 -7.102 -17.719 -1.826 1.00 0.00 O ATOM 1124 NE2 GLN A 72 -5.159 -17.423 -2.819 1.00 0.00 N ATOM 0 H GLN A 72 -8.968 -13.769 -0.135 1.00 0.00 H new ATOM 0 HA GLN A 72 -6.672 -13.356 -1.653 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -6.732 -14.612 0.424 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -7.777 -15.825 -0.288 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -4.999 -15.284 -1.396 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -5.248 -16.365 -0.040 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -4.280 -16.909 -2.886 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -5.352 -18.190 -3.463 1.00 0.00 H new ATOM 1133 N GLN A 73 -8.821 -15.410 -3.122 1.00 0.00 N ATOM 1134 CA GLN A 73 -9.117 -16.099 -4.368 1.00 0.00 C ATOM 1135 C GLN A 73 -9.196 -15.091 -5.522 1.00 0.00 C ATOM 1136 O GLN A 73 -8.583 -15.292 -6.572 1.00 0.00 O ATOM 1137 CB GLN A 73 -10.436 -16.867 -4.192 1.00 0.00 C ATOM 1138 CG GLN A 73 -10.373 -18.055 -3.214 1.00 0.00 C ATOM 1139 CD GLN A 73 -9.721 -19.310 -3.794 1.00 0.00 C ATOM 1140 OE1 GLN A 73 -10.378 -20.151 -4.405 1.00 0.00 O ATOM 1141 NE2 GLN A 73 -8.436 -19.512 -3.558 1.00 0.00 N ATOM 0 H GLN A 73 -9.556 -15.505 -2.421 1.00 0.00 H new ATOM 0 HA GLN A 73 -8.325 -16.806 -4.614 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -11.200 -16.171 -3.846 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -10.757 -17.235 -5.166 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -9.821 -17.750 -2.325 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -11.385 -18.300 -2.892 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -7.894 -18.812 -3.051 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -7.986 -20.368 -3.883 1.00 0.00 H new ATOM 1150 N LYS A 74 -9.897 -13.970 -5.323 1.00 0.00 N ATOM 1151 CA LYS A 74 -10.008 -12.925 -6.344 1.00 0.00 C ATOM 1152 C LYS A 74 -8.638 -12.301 -6.593 1.00 0.00 C ATOM 1153 O LYS A 74 -8.253 -12.085 -7.746 1.00 0.00 O ATOM 1154 CB LYS A 74 -11.050 -11.877 -5.898 1.00 0.00 C ATOM 1155 CG LYS A 74 -11.809 -11.131 -7.014 1.00 0.00 C ATOM 1156 CD LYS A 74 -10.948 -10.382 -8.044 1.00 0.00 C ATOM 1157 CE LYS A 74 -10.676 -11.274 -9.262 1.00 0.00 C ATOM 1158 NZ LYS A 74 -9.546 -10.797 -10.080 1.00 0.00 N ATOM 0 H LYS A 74 -10.398 -13.763 -4.459 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.350 -13.354 -7.286 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.783 -12.376 -5.264 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -10.543 -11.137 -5.279 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -12.429 -11.852 -7.547 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -12.484 -10.414 -6.547 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -11.456 -9.471 -8.359 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -10.005 -10.080 -7.588 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -10.470 -12.290 -8.924 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.572 -11.319 -9.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -9.753 -10.959 -11.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -9.403 -9.780 -9.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -8.684 -11.315 -9.817 1.00 0.00 H new ATOM 1172 N LEU A 75 -7.898 -12.006 -5.521 1.00 0.00 N ATOM 1173 CA LEU A 75 -6.547 -11.468 -5.608 1.00 0.00 C ATOM 1174 C LEU A 75 -5.664 -12.437 -6.405 1.00 0.00 C ATOM 1175 O LEU A 75 -4.845 -11.998 -7.203 1.00 0.00 O ATOM 1176 CB LEU A 75 -5.975 -11.222 -4.194 1.00 0.00 C ATOM 1177 CG LEU A 75 -5.257 -9.877 -3.992 1.00 0.00 C ATOM 1178 CD1 LEU A 75 -4.783 -9.794 -2.537 1.00 0.00 C ATOM 1179 CD2 LEU A 75 -4.106 -9.573 -4.960 1.00 0.00 C ATOM 0 H LEU A 75 -8.226 -12.136 -4.564 1.00 0.00 H new ATOM 0 HA LEU A 75 -6.568 -10.510 -6.127 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.791 -11.289 -3.475 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.276 -12.025 -3.959 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.991 -9.106 -4.224 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.271 -8.846 -2.375 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.642 -9.861 -1.870 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.098 -10.616 -2.330 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.677 -8.600 -4.721 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.338 -10.341 -4.865 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.484 -9.562 -5.982 1.00 0.00 H new ATOM 1191 N ALA A 76 -5.840 -13.747 -6.215 1.00 0.00 N ATOM 1192 CA ALA A 76 -5.004 -14.781 -6.803 1.00 0.00 C ATOM 1193 C ALA A 76 -5.277 -14.905 -8.283 1.00 0.00 C ATOM 1194 O ALA A 76 -4.327 -15.017 -9.048 1.00 0.00 O ATOM 1195 CB ALA A 76 -5.224 -16.119 -6.101 1.00 0.00 C ATOM 0 H ALA A 76 -6.589 -14.121 -5.632 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.961 -14.494 -6.669 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -4.589 -16.878 -6.557 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -4.972 -16.022 -5.045 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.269 -16.414 -6.199 1.00 0.00 H new ATOM 1201 N GLU A 77 -6.539 -14.846 -8.707 1.00 0.00 N ATOM 1202 CA GLU A 77 -6.857 -14.856 -10.128 1.00 0.00 C ATOM 1203 C GLU A 77 -6.307 -13.599 -10.811 1.00 0.00 C ATOM 1204 O GLU A 77 -5.953 -13.640 -11.989 1.00 0.00 O ATOM 1205 CB GLU A 77 -8.377 -14.978 -10.316 1.00 0.00 C ATOM 1206 CG GLU A 77 -8.706 -15.416 -11.756 1.00 0.00 C ATOM 1207 CD GLU A 77 -9.953 -16.293 -11.847 1.00 0.00 C ATOM 1208 OE1 GLU A 77 -11.072 -15.762 -12.039 1.00 0.00 O ATOM 1209 OE2 GLU A 77 -9.800 -17.535 -11.800 1.00 0.00 O ATOM 0 H GLU A 77 -7.349 -14.791 -8.090 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.382 -15.717 -10.598 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -8.781 -15.702 -9.608 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.854 -14.022 -10.102 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.847 -14.530 -12.375 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.856 -15.961 -12.167 1.00 0.00 H new ATOM 1216 N ALA A 78 -6.215 -12.480 -10.084 1.00 0.00 N ATOM 1217 CA ALA A 78 -5.610 -11.252 -10.589 1.00 0.00 C ATOM 1218 C ALA A 78 -4.093 -11.426 -10.728 1.00 0.00 C ATOM 1219 O ALA A 78 -3.551 -11.224 -11.813 1.00 0.00 O ATOM 1220 CB ALA A 78 -5.986 -10.063 -9.695 1.00 0.00 C ATOM 0 H ALA A 78 -6.560 -12.405 -9.127 1.00 0.00 H new ATOM 0 HA ALA A 78 -6.001 -11.038 -11.584 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -5.527 -9.155 -10.085 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.070 -9.945 -9.683 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -5.629 -10.243 -8.681 1.00 0.00 H new ATOM 1226 N LEU A 79 -3.398 -11.818 -9.656 1.00 0.00 N ATOM 1227 CA LEU A 79 -1.949 -11.999 -9.648 1.00 0.00 C ATOM 1228 C LEU A 79 -1.519 -13.094 -10.626 1.00 0.00 C ATOM 1229 O LEU A 79 -0.508 -12.938 -11.304 1.00 0.00 O ATOM 1230 CB LEU A 79 -1.463 -12.303 -8.219 1.00 0.00 C ATOM 1231 CG LEU A 79 -0.434 -11.276 -7.719 1.00 0.00 C ATOM 1232 CD1 LEU A 79 -0.248 -11.466 -6.217 1.00 0.00 C ATOM 1233 CD2 LEU A 79 0.920 -11.430 -8.425 1.00 0.00 C ATOM 0 H LEU A 79 -3.836 -12.021 -8.757 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.484 -11.071 -9.981 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.318 -12.316 -7.543 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.021 -13.299 -8.193 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.809 -10.277 -7.942 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.480 -10.744 -5.846 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.201 -11.313 -5.710 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.110 -12.476 -6.020 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.617 -10.685 -8.042 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.316 -12.428 -8.238 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.789 -11.287 -9.498 1.00 0.00 H new ATOM 1245 N SER A 80 -2.299 -14.170 -10.745 1.00 0.00 N ATOM 1246 CA SER A 80 -2.075 -15.226 -11.723 1.00 0.00 C ATOM 1247 C SER A 80 -2.104 -14.633 -13.134 1.00 0.00 C ATOM 1248 O SER A 80 -1.249 -14.939 -13.964 1.00 0.00 O ATOM 1249 CB SER A 80 -3.157 -16.307 -11.610 1.00 0.00 C ATOM 1250 OG SER A 80 -3.093 -16.996 -10.374 1.00 0.00 O ATOM 0 H SER A 80 -3.115 -14.331 -10.154 1.00 0.00 H new ATOM 0 HA SER A 80 -1.102 -15.677 -11.527 1.00 0.00 H new ATOM 0 HB2 SER A 80 -4.140 -15.849 -11.719 1.00 0.00 H new ATOM 0 HB3 SER A 80 -3.045 -17.019 -12.428 1.00 0.00 H new ATOM 0 HG SER A 80 -3.504 -16.449 -9.673 1.00 0.00 H new ATOM 1256 N MET A 81 -3.085 -13.769 -13.417 1.00 0.00 N ATOM 1257 CA MET A 81 -3.220 -13.183 -14.741 1.00 0.00 C ATOM 1258 C MET A 81 -2.047 -12.245 -15.019 1.00 0.00 C ATOM 1259 O MET A 81 -1.479 -12.265 -16.113 1.00 0.00 O ATOM 1260 CB MET A 81 -4.566 -12.458 -14.872 1.00 0.00 C ATOM 1261 CG MET A 81 -4.887 -12.139 -16.333 1.00 0.00 C ATOM 1262 SD MET A 81 -5.142 -13.601 -17.373 1.00 0.00 S ATOM 1263 CE MET A 81 -3.547 -13.738 -18.228 1.00 0.00 C ATOM 0 H MET A 81 -3.791 -13.466 -12.746 1.00 0.00 H new ATOM 0 HA MET A 81 -3.201 -13.977 -15.488 1.00 0.00 H new ATOM 0 HB2 MET A 81 -5.358 -13.078 -14.451 1.00 0.00 H new ATOM 0 HB3 MET A 81 -4.542 -11.535 -14.293 1.00 0.00 H new ATOM 0 HG2 MET A 81 -5.783 -11.520 -16.370 1.00 0.00 H new ATOM 0 HG3 MET A 81 -4.073 -11.547 -16.751 1.00 0.00 H new ATOM 0 HE1 MET A 81 -3.708 -14.102 -19.243 1.00 0.00 H new ATOM 0 HE2 MET A 81 -3.069 -12.759 -18.265 1.00 0.00 H new ATOM 0 HE3 MET A 81 -2.905 -14.435 -17.690 1.00 0.00 H new ATOM 1273 N LEU A 82 -1.646 -11.457 -14.019 1.00 0.00 N ATOM 1274 CA LEU A 82 -0.498 -10.568 -14.096 1.00 0.00 C ATOM 1275 C LEU A 82 0.760 -11.369 -14.423 1.00 0.00 C ATOM 1276 O LEU A 82 1.456 -11.048 -15.386 1.00 0.00 O ATOM 1277 CB LEU A 82 -0.391 -9.799 -12.772 1.00 0.00 C ATOM 1278 CG LEU A 82 0.912 -9.010 -12.573 1.00 0.00 C ATOM 1279 CD1 LEU A 82 1.073 -7.907 -13.622 1.00 0.00 C ATOM 1280 CD2 LEU A 82 0.900 -8.392 -11.174 1.00 0.00 C ATOM 0 H LEU A 82 -2.123 -11.423 -13.118 1.00 0.00 H new ATOM 0 HA LEU A 82 -0.617 -9.841 -14.899 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -1.230 -9.106 -12.705 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.496 -10.507 -11.950 1.00 0.00 H new ATOM 0 HG LEU A 82 1.753 -9.694 -12.685 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.006 -7.372 -13.447 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.090 -8.351 -14.617 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.237 -7.211 -13.550 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.820 -7.828 -11.017 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.044 -7.724 -11.079 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.828 -9.183 -10.427 1.00 0.00 H new ATOM 1292 N LYS A 83 1.045 -12.422 -13.655 1.00 0.00 N ATOM 1293 CA LYS A 83 2.220 -13.272 -13.849 1.00 0.00 C ATOM 1294 C LYS A 83 2.119 -14.099 -15.140 1.00 0.00 C ATOM 1295 O LYS A 83 3.133 -14.607 -15.627 1.00 0.00 O ATOM 1296 CB LYS A 83 2.397 -14.131 -12.579 1.00 0.00 C ATOM 1297 CG LYS A 83 3.823 -14.672 -12.376 1.00 0.00 C ATOM 1298 CD LYS A 83 4.045 -16.097 -12.900 1.00 0.00 C ATOM 1299 CE LYS A 83 5.554 -16.326 -13.017 1.00 0.00 C ATOM 1300 NZ LYS A 83 5.897 -17.529 -13.793 1.00 0.00 N ATOM 0 H LYS A 83 0.459 -12.712 -12.872 1.00 0.00 H new ATOM 0 HA LYS A 83 3.114 -12.663 -13.986 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.120 -13.535 -11.710 1.00 0.00 H new ATOM 0 HB3 LYS A 83 1.705 -14.972 -12.623 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.526 -14.003 -12.872 1.00 0.00 H new ATOM 0 HG3 LYS A 83 4.058 -14.649 -11.312 1.00 0.00 H new ATOM 0 HD2 LYS A 83 3.600 -16.826 -12.223 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.563 -16.226 -13.869 1.00 0.00 H new ATOM 0 HE2 LYS A 83 6.012 -15.455 -13.486 1.00 0.00 H new ATOM 0 HE3 LYS A 83 5.981 -16.411 -12.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 6.931 -17.631 -13.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 5.486 -18.367 -13.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 5.516 -17.441 -14.757 1.00 0.00 H new ATOM 1314 N GLY A 84 0.919 -14.255 -15.700 1.00 0.00 N ATOM 1315 CA GLY A 84 0.636 -15.079 -16.867 1.00 0.00 C ATOM 1316 C GLY A 84 0.586 -16.571 -16.534 1.00 0.00 C ATOM 1317 O GLY A 84 0.300 -17.388 -17.408 1.00 0.00 O ATOM 0 H GLY A 84 0.087 -13.791 -15.336 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -0.317 -14.775 -17.300 1.00 0.00 H new ATOM 0 HA3 GLY A 84 1.400 -14.905 -17.624 1.00 0.00 H new ATOM 1321 N SER A 85 0.896 -16.958 -15.301 1.00 0.00 N ATOM 1322 CA SER A 85 0.772 -18.308 -14.793 1.00 0.00 C ATOM 1323 C SER A 85 0.288 -18.242 -13.356 1.00 0.00 C ATOM 1324 O SER A 85 0.324 -17.183 -12.733 1.00 0.00 O ATOM 1325 CB SER A 85 2.111 -19.038 -14.890 1.00 0.00 C ATOM 1326 OG SER A 85 2.188 -19.719 -16.128 1.00 0.00 O ATOM 0 H SER A 85 1.255 -16.307 -14.603 1.00 0.00 H new ATOM 0 HA SER A 85 0.051 -18.867 -15.390 1.00 0.00 H new ATOM 0 HB2 SER A 85 2.932 -18.327 -14.802 1.00 0.00 H new ATOM 0 HB3 SER A 85 2.212 -19.745 -14.067 1.00 0.00 H new ATOM 0 HG SER A 85 1.671 -19.231 -16.802 1.00 0.00 H new ATOM 1332 N THR A 86 -0.120 -19.390 -12.830 1.00 0.00 N ATOM 1333 CA THR A 86 -0.495 -19.557 -11.444 1.00 0.00 C ATOM 1334 C THR A 86 0.641 -19.112 -10.523 1.00 0.00 C ATOM 1335 O THR A 86 1.820 -19.248 -10.855 1.00 0.00 O ATOM 1336 CB THR A 86 -0.841 -21.038 -11.261 1.00 0.00 C ATOM 1337 OG1 THR A 86 -1.853 -21.396 -12.185 1.00 0.00 O ATOM 1338 CG2 THR A 86 -1.339 -21.377 -9.865 1.00 0.00 C ATOM 0 H THR A 86 -0.199 -20.249 -13.375 1.00 0.00 H new ATOM 0 HA THR A 86 -1.353 -18.938 -11.182 1.00 0.00 H new ATOM 0 HB THR A 86 0.082 -21.593 -11.426 1.00 0.00 H new ATOM 0 HG1 THR A 86 -2.077 -22.343 -12.074 1.00 0.00 H new ATOM 0 HG21 THR A 86 -1.565 -22.442 -9.808 1.00 0.00 H new ATOM 0 HG22 THR A 86 -0.569 -21.130 -9.134 1.00 0.00 H new ATOM 0 HG23 THR A 86 -2.241 -20.803 -9.651 1.00 0.00 H new ATOM 1346 N VAL A 87 0.278 -18.617 -9.348 1.00 0.00 N ATOM 1347 CA VAL A 87 1.178 -18.220 -8.284 1.00 0.00 C ATOM 1348 C VAL A 87 0.515 -18.661 -6.980 1.00 0.00 C ATOM 1349 O VAL A 87 -0.714 -18.582 -6.873 1.00 0.00 O ATOM 1350 CB VAL A 87 1.332 -16.682 -8.342 1.00 0.00 C ATOM 1351 CG1 VAL A 87 2.151 -16.131 -7.173 1.00 0.00 C ATOM 1352 CG2 VAL A 87 2.000 -16.199 -9.638 1.00 0.00 C ATOM 0 H VAL A 87 -0.702 -18.476 -9.103 1.00 0.00 H new ATOM 0 HA VAL A 87 2.168 -18.667 -8.369 1.00 0.00 H new ATOM 0 HB VAL A 87 0.310 -16.307 -8.292 1.00 0.00 H new ATOM 0 HG11 VAL A 87 2.229 -15.047 -7.262 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.660 -16.384 -6.233 1.00 0.00 H new ATOM 0 HG13 VAL A 87 3.149 -16.569 -7.190 1.00 0.00 H new ATOM 0 HG21 VAL A 87 2.081 -15.112 -9.622 1.00 0.00 H new ATOM 0 HG22 VAL A 87 2.995 -16.636 -9.719 1.00 0.00 H new ATOM 0 HG23 VAL A 87 1.398 -16.505 -10.494 1.00 0.00 H new ATOM 1362 N GLU A 88 1.288 -19.136 -5.997 1.00 0.00 N ATOM 1363 CA GLU A 88 0.731 -19.428 -4.684 1.00 0.00 C ATOM 1364 C GLU A 88 0.651 -18.066 -4.015 1.00 0.00 C ATOM 1365 O GLU A 88 1.611 -17.619 -3.385 1.00 0.00 O ATOM 1366 CB GLU A 88 1.559 -20.439 -3.867 1.00 0.00 C ATOM 1367 CG GLU A 88 1.124 -21.897 -4.053 1.00 0.00 C ATOM 1368 CD GLU A 88 1.025 -22.362 -5.501 1.00 0.00 C ATOM 1369 OE1 GLU A 88 2.067 -22.729 -6.093 1.00 0.00 O ATOM 1370 OE2 GLU A 88 -0.111 -22.484 -6.021 1.00 0.00 O ATOM 0 H GLU A 88 2.287 -19.322 -6.089 1.00 0.00 H new ATOM 0 HA GLU A 88 -0.238 -19.921 -4.761 1.00 0.00 H new ATOM 0 HB2 GLU A 88 2.608 -20.345 -4.148 1.00 0.00 H new ATOM 0 HB3 GLU A 88 1.488 -20.181 -2.810 1.00 0.00 H new ATOM 0 HG2 GLU A 88 1.830 -22.540 -3.528 1.00 0.00 H new ATOM 0 HG3 GLU A 88 0.153 -22.034 -3.576 1.00 0.00 H new ATOM 1377 N LEU A 89 -0.452 -17.361 -4.269 1.00 0.00 N ATOM 1378 CA LEU A 89 -0.740 -16.106 -3.610 1.00 0.00 C ATOM 1379 C LEU A 89 -1.336 -16.472 -2.266 1.00 0.00 C ATOM 1380 O LEU A 89 -2.466 -16.965 -2.220 1.00 0.00 O ATOM 1381 CB LEU A 89 -1.679 -15.214 -4.417 1.00 0.00 C ATOM 1382 CG LEU A 89 -2.208 -14.039 -3.564 1.00 0.00 C ATOM 1383 CD1 LEU A 89 -1.190 -13.081 -2.953 1.00 0.00 C ATOM 1384 CD2 LEU A 89 -3.097 -13.198 -4.445 1.00 0.00 C ATOM 0 H LEU A 89 -1.165 -17.652 -4.938 1.00 0.00 H new ATOM 0 HA LEU A 89 0.170 -15.516 -3.501 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -1.154 -14.825 -5.290 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.517 -15.805 -4.786 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.691 -14.528 -2.718 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.711 -12.311 -2.384 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.523 -13.633 -2.291 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.608 -12.614 -3.747 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.488 -12.358 -3.871 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.521 -12.823 -5.291 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.926 -13.804 -4.810 1.00 0.00 H new ATOM 1396 N THR A 90 -0.606 -16.233 -1.196 1.00 0.00 N ATOM 1397 CA THR A 90 -1.036 -16.531 0.161 1.00 0.00 C ATOM 1398 C THR A 90 -1.149 -15.198 0.898 1.00 0.00 C ATOM 1399 O THR A 90 -0.597 -14.189 0.455 1.00 0.00 O ATOM 1400 CB THR A 90 -0.010 -17.500 0.768 1.00 0.00 C ATOM 1401 OG1 THR A 90 0.175 -18.579 -0.130 1.00 0.00 O ATOM 1402 CG2 THR A 90 -0.387 -18.096 2.123 1.00 0.00 C ATOM 0 H THR A 90 0.324 -15.817 -1.243 1.00 0.00 H new ATOM 0 HA THR A 90 -2.008 -17.020 0.222 1.00 0.00 H new ATOM 0 HB THR A 90 0.887 -16.903 0.931 1.00 0.00 H new ATOM 0 HG1 THR A 90 0.829 -19.206 0.243 1.00 0.00 H new ATOM 0 HG21 THR A 90 0.405 -18.765 2.460 1.00 0.00 H new ATOM 0 HG22 THR A 90 -0.518 -17.294 2.849 1.00 0.00 H new ATOM 0 HG23 THR A 90 -1.318 -18.655 2.028 1.00 0.00 H new ATOM 1410 N ILE A 91 -1.840 -15.176 2.032 1.00 0.00 N ATOM 1411 CA ILE A 91 -1.934 -14.004 2.888 1.00 0.00 C ATOM 1412 C ILE A 91 -1.450 -14.482 4.252 1.00 0.00 C ATOM 1413 O ILE A 91 -2.152 -15.225 4.946 1.00 0.00 O ATOM 1414 CB ILE A 91 -3.354 -13.378 2.943 1.00 0.00 C ATOM 1415 CG1 ILE A 91 -4.261 -13.548 1.701 1.00 0.00 C ATOM 1416 CG2 ILE A 91 -3.202 -11.892 3.316 1.00 0.00 C ATOM 1417 CD1 ILE A 91 -4.025 -12.606 0.517 1.00 0.00 C ATOM 0 H ILE A 91 -2.356 -15.982 2.385 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.327 -13.187 2.498 1.00 0.00 H new ATOM 0 HB ILE A 91 -3.894 -13.950 3.697 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -4.152 -14.572 1.343 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -5.296 -13.431 2.022 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -4.186 -11.426 3.362 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.715 -11.809 4.288 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.597 -11.388 2.563 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -4.731 -12.839 -0.280 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -4.169 -11.574 0.838 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -3.007 -12.733 0.149 1.00 0.00 H new ATOM 1429 N VAL A 92 -0.268 -14.044 4.662 1.00 0.00 N ATOM 1430 CA VAL A 92 0.362 -14.444 5.914 1.00 0.00 C ATOM 1431 C VAL A 92 0.144 -13.278 6.884 1.00 0.00 C ATOM 1432 O VAL A 92 -0.356 -12.219 6.479 1.00 0.00 O ATOM 1433 CB VAL A 92 1.846 -14.825 5.676 1.00 0.00 C ATOM 1434 CG1 VAL A 92 1.996 -15.924 4.613 1.00 0.00 C ATOM 1435 CG2 VAL A 92 2.743 -13.653 5.264 1.00 0.00 C ATOM 0 H VAL A 92 0.293 -13.386 4.122 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.074 -15.344 6.347 1.00 0.00 H new ATOM 0 HB VAL A 92 2.177 -15.182 6.651 1.00 0.00 H new ATOM 0 HG11 VAL A 92 3.052 -16.159 4.479 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.463 -16.818 4.937 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.579 -15.576 3.668 1.00 0.00 H new ATOM 0 HG21 VAL A 92 3.763 -14.009 5.118 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.373 -13.221 4.334 1.00 0.00 H new ATOM 0 HG23 VAL A 92 2.732 -12.894 6.046 1.00 0.00 H new ATOM 1445 N GLU A 93 0.418 -13.469 8.167 1.00 0.00 N ATOM 1446 CA GLU A 93 0.134 -12.486 9.200 1.00 0.00 C ATOM 1447 C GLU A 93 1.445 -12.082 9.858 1.00 0.00 C ATOM 1448 O GLU A 93 2.035 -12.849 10.614 1.00 0.00 O ATOM 1449 CB GLU A 93 -0.904 -12.998 10.208 1.00 0.00 C ATOM 1450 CG GLU A 93 -0.744 -14.453 10.681 1.00 0.00 C ATOM 1451 CD GLU A 93 -1.537 -15.453 9.828 1.00 0.00 C ATOM 1452 OE1 GLU A 93 -2.760 -15.603 10.073 1.00 0.00 O ATOM 1453 OE2 GLU A 93 -0.998 -16.095 8.899 1.00 0.00 O ATOM 0 H GLU A 93 0.849 -14.322 8.523 1.00 0.00 H new ATOM 0 HA GLU A 93 -0.318 -11.602 8.750 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -0.877 -12.350 11.084 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -1.893 -12.891 9.763 1.00 0.00 H new ATOM 0 HG2 GLU A 93 0.312 -14.722 10.658 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -1.070 -14.530 11.718 1.00 0.00 H new ATOM 1460 N ASP A 94 1.917 -10.880 9.546 1.00 0.00 N ATOM 1461 CA ASP A 94 3.193 -10.363 10.006 1.00 0.00 C ATOM 1462 C ASP A 94 2.982 -8.895 10.340 1.00 0.00 C ATOM 1463 O ASP A 94 2.848 -8.056 9.453 1.00 0.00 O ATOM 1464 CB ASP A 94 4.260 -10.574 8.930 1.00 0.00 C ATOM 1465 CG ASP A 94 5.619 -9.981 9.299 1.00 0.00 C ATOM 1466 OD1 ASP A 94 5.906 -9.778 10.502 1.00 0.00 O ATOM 1467 OD2 ASP A 94 6.430 -9.790 8.362 1.00 0.00 O ATOM 0 H ASP A 94 1.408 -10.225 8.952 1.00 0.00 H new ATOM 0 HA ASP A 94 3.548 -10.886 10.894 1.00 0.00 H new ATOM 0 HB2 ASP A 94 4.375 -11.642 8.748 1.00 0.00 H new ATOM 0 HB3 ASP A 94 3.918 -10.127 7.997 1.00 0.00 H new ATOM 1472 N ASP A 95 2.834 -8.590 11.626 1.00 0.00 N ATOM 1473 CA ASP A 95 2.506 -7.239 12.087 1.00 0.00 C ATOM 1474 C ASP A 95 3.727 -6.330 12.173 1.00 0.00 C ATOM 1475 O ASP A 95 3.570 -5.128 12.392 1.00 0.00 O ATOM 1476 CB ASP A 95 1.841 -7.310 13.466 1.00 0.00 C ATOM 1477 CG ASP A 95 1.075 -6.027 13.790 1.00 0.00 C ATOM 1478 OD1 ASP A 95 0.119 -5.699 13.049 1.00 0.00 O ATOM 1479 OD2 ASP A 95 1.375 -5.368 14.814 1.00 0.00 O ATOM 0 H ASP A 95 2.937 -9.270 12.379 1.00 0.00 H new ATOM 0 HA ASP A 95 1.827 -6.811 11.350 1.00 0.00 H new ATOM 0 HB2 ASP A 95 1.159 -8.159 13.498 1.00 0.00 H new ATOM 0 HB3 ASP A 95 2.601 -7.483 14.228 1.00 0.00 H new ATOM 1522 N VAL A 99 8.579 -3.386 6.991 1.00 0.00 N ATOM 1523 CA VAL A 99 8.249 -3.148 5.587 1.00 0.00 C ATOM 1524 C VAL A 99 6.988 -2.287 5.529 1.00 0.00 C ATOM 1525 O VAL A 99 6.159 -2.303 6.444 1.00 0.00 O ATOM 1526 CB VAL A 99 8.080 -4.489 4.842 1.00 0.00 C ATOM 1527 CG1 VAL A 99 7.970 -4.311 3.320 1.00 0.00 C ATOM 1528 CG2 VAL A 99 9.236 -5.464 5.099 1.00 0.00 C ATOM 0 HA VAL A 99 9.057 -2.615 5.086 1.00 0.00 H new ATOM 0 HB VAL A 99 7.152 -4.898 5.241 1.00 0.00 H new ATOM 0 HG11 VAL A 99 7.853 -5.286 2.847 1.00 0.00 H new ATOM 0 HG12 VAL A 99 7.106 -3.689 3.088 1.00 0.00 H new ATOM 0 HG13 VAL A 99 8.874 -3.832 2.944 1.00 0.00 H new ATOM 0 HG21 VAL A 99 9.061 -6.389 4.549 1.00 0.00 H new ATOM 0 HG22 VAL A 99 10.172 -5.015 4.766 1.00 0.00 H new ATOM 0 HG23 VAL A 99 9.298 -5.682 6.165 1.00 0.00 H new ATOM 1538 N ARG A 100 6.837 -1.517 4.450 1.00 0.00 N ATOM 1539 CA ARG A 100 5.705 -0.636 4.217 1.00 0.00 C ATOM 1540 C ARG A 100 4.740 -1.305 3.247 1.00 0.00 C ATOM 1541 O ARG A 100 5.142 -1.735 2.162 1.00 0.00 O ATOM 1542 CB ARG A 100 6.188 0.682 3.596 1.00 0.00 C ATOM 1543 CG ARG A 100 7.242 1.467 4.381 1.00 0.00 C ATOM 1544 CD ARG A 100 6.667 2.112 5.639 1.00 0.00 C ATOM 1545 NE ARG A 100 7.753 2.692 6.433 1.00 0.00 N ATOM 1546 CZ ARG A 100 7.711 3.765 7.221 1.00 0.00 C ATOM 1547 NH1 ARG A 100 6.613 4.514 7.306 1.00 0.00 N ATOM 1548 NH2 ARG A 100 8.789 4.087 7.923 1.00 0.00 N ATOM 0 H ARG A 100 7.523 -1.493 3.695 1.00 0.00 H new ATOM 0 HA ARG A 100 5.209 -0.435 5.167 1.00 0.00 H new ATOM 0 HB2 ARG A 100 6.592 0.464 2.608 1.00 0.00 H new ATOM 0 HB3 ARG A 100 5.322 1.327 3.451 1.00 0.00 H new ATOM 0 HG2 ARG A 100 8.057 0.799 4.658 1.00 0.00 H new ATOM 0 HG3 ARG A 100 7.667 2.240 3.741 1.00 0.00 H new ATOM 0 HD2 ARG A 100 5.948 2.885 5.368 1.00 0.00 H new ATOM 0 HD3 ARG A 100 6.129 1.369 6.228 1.00 0.00 H new ATOM 0 HE ARG A 100 8.653 2.215 6.375 1.00 0.00 H new ATOM 0 HH11 ARG A 100 5.785 4.269 6.762 1.00 0.00 H new ATOM 0 HH12 ARG A 100 6.600 5.332 7.915 1.00 0.00 H new ATOM 0 HH21 ARG A 100 9.632 3.516 7.854 1.00 0.00 H new ATOM 0 HH22 ARG A 100 8.775 4.905 8.532 1.00 0.00 H new ATOM 1562 N THR A 101 3.479 -1.423 3.640 1.00 0.00 N ATOM 1563 CA THR A 101 2.421 -1.909 2.764 1.00 0.00 C ATOM 1564 C THR A 101 2.099 -0.759 1.782 1.00 0.00 C ATOM 1565 O THR A 101 2.566 0.357 2.009 1.00 0.00 O ATOM 1566 CB THR A 101 1.213 -2.268 3.642 1.00 0.00 C ATOM 1567 OG1 THR A 101 0.693 -1.099 4.244 1.00 0.00 O ATOM 1568 CG2 THR A 101 1.551 -3.234 4.786 1.00 0.00 C ATOM 0 H THR A 101 3.160 -1.184 4.579 1.00 0.00 H new ATOM 0 HA THR A 101 2.704 -2.797 2.198 1.00 0.00 H new ATOM 0 HB THR A 101 0.500 -2.749 2.973 1.00 0.00 H new ATOM 0 HG1 THR A 101 -0.078 -1.333 4.801 1.00 0.00 H new ATOM 0 HG21 THR A 101 0.651 -3.443 5.364 1.00 0.00 H new ATOM 0 HG22 THR A 101 1.941 -4.164 4.373 1.00 0.00 H new ATOM 0 HG23 THR A 101 2.301 -2.782 5.434 1.00 0.00 H new ATOM 1576 N PRO A 102 1.280 -0.921 0.731 1.00 0.00 N ATOM 1577 CA PRO A 102 0.879 0.203 -0.114 1.00 0.00 C ATOM 1578 C PRO A 102 0.158 1.300 0.685 1.00 0.00 C ATOM 1579 O PRO A 102 0.228 2.476 0.325 1.00 0.00 O ATOM 1580 CB PRO A 102 -0.034 -0.395 -1.180 1.00 0.00 C ATOM 1581 CG PRO A 102 0.437 -1.840 -1.270 1.00 0.00 C ATOM 1582 CD PRO A 102 0.776 -2.162 0.185 1.00 0.00 C ATOM 0 HA PRO A 102 1.749 0.693 -0.552 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -1.084 -0.331 -0.893 1.00 0.00 H new ATOM 0 HB3 PRO A 102 0.068 0.122 -2.134 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -0.339 -2.497 -1.662 1.00 0.00 H new ATOM 0 HG3 PRO A 102 1.304 -1.946 -1.923 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -0.104 -2.505 0.729 1.00 0.00 H new ATOM 0 HD3 PRO A 102 1.521 -2.955 0.251 1.00 0.00 H new ATOM 1590 N LEU A 103 -0.543 0.934 1.766 1.00 0.00 N ATOM 1591 CA LEU A 103 -1.169 1.875 2.688 1.00 0.00 C ATOM 1592 C LEU A 103 -0.079 2.675 3.395 1.00 0.00 C ATOM 1593 O LEU A 103 -0.097 3.908 3.362 1.00 0.00 O ATOM 1594 CB LEU A 103 -2.063 1.090 3.664 1.00 0.00 C ATOM 1595 CG LEU A 103 -2.838 1.900 4.721 1.00 0.00 C ATOM 1596 CD1 LEU A 103 -4.062 1.082 5.161 1.00 0.00 C ATOM 1597 CD2 LEU A 103 -1.998 2.203 5.970 1.00 0.00 C ATOM 0 H LEU A 103 -0.690 -0.042 2.024 1.00 0.00 H new ATOM 0 HA LEU A 103 -1.804 2.588 2.162 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -2.786 0.523 3.077 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -1.438 0.366 4.186 1.00 0.00 H new ATOM 0 HG LEU A 103 -3.118 2.849 4.265 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -4.623 1.641 5.910 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -4.700 0.890 4.299 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -3.732 0.134 5.587 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -2.595 2.776 6.680 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -1.683 1.268 6.432 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -1.119 2.781 5.686 1.00 0.00 H new ATOM 1609 N GLU A 104 0.862 1.991 4.045 1.00 0.00 N ATOM 1610 CA GLU A 104 1.878 2.652 4.854 1.00 0.00 C ATOM 1611 C GLU A 104 2.897 3.388 3.975 1.00 0.00 C ATOM 1612 O GLU A 104 3.410 4.419 4.399 1.00 0.00 O ATOM 1613 CB GLU A 104 2.510 1.653 5.840 1.00 0.00 C ATOM 1614 CG GLU A 104 1.443 1.159 6.836 1.00 0.00 C ATOM 1615 CD GLU A 104 2.017 0.476 8.077 1.00 0.00 C ATOM 1616 OE1 GLU A 104 2.528 -0.662 7.996 1.00 0.00 O ATOM 1617 OE2 GLU A 104 1.925 1.071 9.176 1.00 0.00 O ATOM 0 H GLU A 104 0.939 0.974 4.025 1.00 0.00 H new ATOM 0 HA GLU A 104 1.408 3.426 5.460 1.00 0.00 H new ATOM 0 HB2 GLU A 104 2.932 0.808 5.296 1.00 0.00 H new ATOM 0 HB3 GLU A 104 3.331 2.128 6.378 1.00 0.00 H new ATOM 0 HG2 GLU A 104 0.834 2.007 7.150 1.00 0.00 H new ATOM 0 HG3 GLU A 104 0.779 0.462 6.325 1.00 0.00 H new ATOM 1624 N TRP A 105 3.151 2.933 2.743 1.00 0.00 N ATOM 1625 CA TRP A 105 3.998 3.630 1.783 1.00 0.00 C ATOM 1626 C TRP A 105 3.323 4.919 1.366 1.00 0.00 C ATOM 1627 O TRP A 105 3.980 5.951 1.376 1.00 0.00 O ATOM 1628 CB TRP A 105 4.262 2.813 0.506 1.00 0.00 C ATOM 1629 CG TRP A 105 5.529 2.027 0.447 1.00 0.00 C ATOM 1630 CD1 TRP A 105 5.611 0.725 0.108 1.00 0.00 C ATOM 1631 CD2 TRP A 105 6.902 2.473 0.672 1.00 0.00 C ATOM 1632 NE1 TRP A 105 6.936 0.347 0.055 1.00 0.00 N ATOM 1633 CE2 TRP A 105 7.775 1.366 0.451 1.00 0.00 C ATOM 1634 CE3 TRP A 105 7.505 3.690 1.059 1.00 0.00 C ATOM 1635 CZ2 TRP A 105 9.160 1.441 0.670 1.00 0.00 C ATOM 1636 CZ3 TRP A 105 8.885 3.765 1.324 1.00 0.00 C ATOM 1637 CH2 TRP A 105 9.711 2.642 1.144 1.00 0.00 C ATOM 0 H TRP A 105 2.767 2.059 2.385 1.00 0.00 H new ATOM 0 HA TRP A 105 4.952 3.806 2.281 1.00 0.00 H new ATOM 0 HB2 TRP A 105 3.430 2.122 0.369 1.00 0.00 H new ATOM 0 HB3 TRP A 105 4.250 3.498 -0.342 1.00 0.00 H new ATOM 0 HD1 TRP A 105 4.769 0.078 -0.091 1.00 0.00 H new ATOM 0 HE1 TRP A 105 7.256 -0.575 -0.241 1.00 0.00 H new ATOM 0 HE3 TRP A 105 6.897 4.578 1.153 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 9.792 0.587 0.477 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 9.314 4.694 1.669 1.00 0.00 H new ATOM 0 HH2 TRP A 105 10.765 2.703 1.369 1.00 0.00 H new ATOM 1648 N ARG A 106 2.040 4.880 0.990 1.00 0.00 N ATOM 1649 CA ARG A 106 1.317 6.074 0.560 1.00 0.00 C ATOM 1650 C ARG A 106 1.428 7.155 1.634 1.00 0.00 C ATOM 1651 O ARG A 106 1.766 8.292 1.319 1.00 0.00 O ATOM 1652 CB ARG A 106 -0.127 5.678 0.221 1.00 0.00 C ATOM 1653 CG ARG A 106 -0.929 6.772 -0.491 1.00 0.00 C ATOM 1654 CD ARG A 106 -2.425 6.421 -0.561 1.00 0.00 C ATOM 1655 NE ARG A 106 -2.860 5.883 -1.864 1.00 0.00 N ATOM 1656 CZ ARG A 106 -2.907 4.603 -2.262 1.00 0.00 C ATOM 1657 NH1 ARG A 106 -2.311 3.633 -1.572 1.00 0.00 N ATOM 1658 NH2 ARG A 106 -3.558 4.288 -3.379 1.00 0.00 N ATOM 0 H ARG A 106 1.481 4.027 0.976 1.00 0.00 H new ATOM 0 HA ARG A 106 1.751 6.502 -0.344 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -0.109 4.788 -0.409 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -0.643 5.406 1.142 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -0.801 7.718 0.034 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -0.540 6.912 -1.499 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -2.652 5.690 0.215 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -3.007 7.315 -0.337 1.00 0.00 H new ATOM 0 HE ARG A 106 -3.164 6.573 -2.551 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -1.802 3.855 -0.716 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -2.364 2.668 -1.899 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -4.016 5.017 -3.925 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -3.599 3.317 -3.689 1.00 0.00 H new ATOM 1672 N GLN A 107 1.235 6.783 2.901 1.00 0.00 N ATOM 1673 CA GLN A 107 1.380 7.730 3.995 1.00 0.00 C ATOM 1674 C GLN A 107 2.841 8.165 4.166 1.00 0.00 C ATOM 1675 O GLN A 107 3.093 9.357 4.343 1.00 0.00 O ATOM 1676 CB GLN A 107 0.825 7.141 5.300 1.00 0.00 C ATOM 1677 CG GLN A 107 0.477 8.263 6.301 1.00 0.00 C ATOM 1678 CD GLN A 107 0.987 7.979 7.711 1.00 0.00 C ATOM 1679 OE1 GLN A 107 0.846 6.871 8.221 1.00 0.00 O ATOM 1680 NE2 GLN A 107 1.597 8.949 8.365 1.00 0.00 N ATOM 0 H GLN A 107 0.980 5.838 3.188 1.00 0.00 H new ATOM 0 HA GLN A 107 0.799 8.618 3.748 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -0.064 6.548 5.088 1.00 0.00 H new ATOM 0 HB3 GLN A 107 1.559 6.468 5.742 1.00 0.00 H new ATOM 0 HG2 GLN A 107 0.902 9.203 5.948 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -0.605 8.394 6.331 1.00 0.00 H new ATOM 0 HE21 GLN A 107 1.708 9.865 7.931 1.00 0.00 H new ATOM 0 HE22 GLN A 107 1.957 8.783 9.305 1.00 0.00 H new ATOM 1689 N ALA A 108 3.805 7.236 4.131 1.00 0.00 N ATOM 1690 CA ALA A 108 5.221 7.552 4.314 1.00 0.00 C ATOM 1691 C ALA A 108 5.690 8.548 3.257 1.00 0.00 C ATOM 1692 O ALA A 108 6.399 9.501 3.568 1.00 0.00 O ATOM 1693 CB ALA A 108 6.052 6.268 4.226 1.00 0.00 C ATOM 0 H ALA A 108 3.622 6.245 3.975 1.00 0.00 H new ATOM 0 HA ALA A 108 5.354 8.003 5.297 1.00 0.00 H new ATOM 0 HB1 ALA A 108 7.107 6.507 4.363 1.00 0.00 H new ATOM 0 HB2 ALA A 108 5.733 5.574 5.004 1.00 0.00 H new ATOM 0 HB3 ALA A 108 5.908 5.808 3.248 1.00 0.00 H new ATOM 1699 N ILE A 109 5.258 8.340 2.017 1.00 0.00 N ATOM 1700 CA ILE A 109 5.540 9.161 0.852 1.00 0.00 C ATOM 1701 C ILE A 109 5.007 10.578 1.049 1.00 0.00 C ATOM 1702 O ILE A 109 5.591 11.518 0.511 1.00 0.00 O ATOM 1703 CB ILE A 109 4.984 8.437 -0.391 1.00 0.00 C ATOM 1704 CG1 ILE A 109 5.921 7.257 -0.738 1.00 0.00 C ATOM 1705 CG2 ILE A 109 4.744 9.348 -1.601 1.00 0.00 C ATOM 1706 CD1 ILE A 109 7.078 7.629 -1.671 1.00 0.00 C ATOM 0 H ILE A 109 4.665 7.543 1.788 1.00 0.00 H new ATOM 0 HA ILE A 109 6.612 9.287 0.704 1.00 0.00 H new ATOM 0 HB ILE A 109 3.990 8.068 -0.136 1.00 0.00 H new ATOM 0 HG12 ILE A 109 6.331 6.849 0.186 1.00 0.00 H new ATOM 0 HG13 ILE A 109 5.334 6.466 -1.203 1.00 0.00 H new ATOM 0 HG21 ILE A 109 4.353 8.757 -2.429 1.00 0.00 H new ATOM 0 HG22 ILE A 109 4.024 10.122 -1.336 1.00 0.00 H new ATOM 0 HG23 ILE A 109 5.684 9.813 -1.899 1.00 0.00 H new ATOM 0 HD11 ILE A 109 7.687 6.746 -1.865 1.00 0.00 H new ATOM 0 HD12 ILE A 109 6.679 8.008 -2.612 1.00 0.00 H new ATOM 0 HD13 ILE A 109 7.692 8.397 -1.201 1.00 0.00 H new ATOM 1718 N TYR A 110 3.947 10.768 1.839 1.00 0.00 N ATOM 1719 CA TYR A 110 3.515 12.119 2.141 1.00 0.00 C ATOM 1720 C TYR A 110 4.617 12.833 2.912 1.00 0.00 C ATOM 1721 O TYR A 110 4.994 13.953 2.572 1.00 0.00 O ATOM 1722 CB TYR A 110 2.195 12.146 2.914 1.00 0.00 C ATOM 1723 CG TYR A 110 1.551 13.500 2.723 1.00 0.00 C ATOM 1724 CD1 TYR A 110 0.983 13.763 1.470 1.00 0.00 C ATOM 1725 CD2 TYR A 110 1.684 14.536 3.667 1.00 0.00 C ATOM 1726 CE1 TYR A 110 0.565 15.049 1.124 1.00 0.00 C ATOM 1727 CE2 TYR A 110 1.243 15.834 3.339 1.00 0.00 C ATOM 1728 CZ TYR A 110 0.699 16.092 2.056 1.00 0.00 C ATOM 1729 OH TYR A 110 0.305 17.339 1.698 1.00 0.00 O ATOM 0 H TYR A 110 3.393 10.025 2.265 1.00 0.00 H new ATOM 0 HA TYR A 110 3.329 12.639 1.201 1.00 0.00 H new ATOM 0 HB2 TYR A 110 1.532 11.358 2.557 1.00 0.00 H new ATOM 0 HB3 TYR A 110 2.373 11.958 3.973 1.00 0.00 H new ATOM 0 HD1 TYR A 110 0.867 12.958 0.760 1.00 0.00 H new ATOM 0 HD2 TYR A 110 2.120 14.338 4.635 1.00 0.00 H new ATOM 0 HE1 TYR A 110 0.142 15.241 0.149 1.00 0.00 H new ATOM 0 HE2 TYR A 110 1.320 16.631 4.064 1.00 0.00 H new ATOM 0 HH TYR A 110 0.456 17.957 2.444 1.00 0.00 H new