USER MOD reduce.3.24.130724 H: found=0, std=0, add=397, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 399 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 40 TYR OH : rot 30:sc= 0.261 USER MOD Set 1.2: A 77 CYS SG : rot -20:sc= 1.18 USER MOD Single : A 22 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.0716) USER MOD Single : A 25 CYS SG : rot 180:sc= -0.132 USER MOD Single : A 35 GLN :FLIP amide:sc= -3.36! C(o=-6.1!,f=-3.4!) USER MOD Single : A 36 TYR OH : rot -60:sc= -2.47 USER MOD Single : A 38 GLN :FLIP amide:sc= -0.205 F(o=-2.5,f=-0.21) USER MOD Single : A 43 SER OG : rot 59:sc= -0.34 USER MOD Single : A 44 GLN : amide:sc= -0.0284 X(o=-0.028,f=-0.027) USER MOD Single : A 48 ASN :FLIP amide:sc= -1.38 F(o=-5.7!,f=-1.4) USER MOD Single : A 53 LYS NZ :NH3+ 154:sc= -0.106 (180deg=-1.28) USER MOD Single : A 68 CYS SG : rot -139:sc= 0.418 USER MOD Single : A 72 ASN : amide:sc= -0.222 K(o=-0.22,f=-1.1) USER MOD Single : A 73 THR OG1 : rot 88:sc= 0.864 USER MOD Single : A 75 ASN : amide:sc= -5.36! C(o=-5.4!,f=-11!) USER MOD Single : A 76 LYS NZ :NH3+ -147:sc= 0.329 (180deg=-0.0994) USER MOD ----------------------------------------------------------------- ATOM 293 N GLU A 20 4.233 9.057 -2.784 1.00 1.00 N ATOM 294 CA GLU A 20 3.328 7.974 -2.429 1.00 1.00 C ATOM 295 C GLU A 20 2.332 7.730 -3.555 1.00 1.00 C ATOM 296 O GLU A 20 2.094 6.591 -3.951 1.00 1.00 O ATOM 297 CB GLU A 20 2.576 8.318 -1.141 1.00 1.00 C ATOM 298 CG GLU A 20 3.143 7.496 0.017 1.00 1.00 C ATOM 299 CD GLU A 20 2.713 6.039 -0.120 1.00 1.00 C ATOM 300 OE1 GLU A 20 1.574 5.745 0.208 1.00 1.00 O ATOM 301 OE2 GLU A 20 3.528 5.240 -0.549 1.00 1.00 O ATOM 0 HA GLU A 20 3.914 7.069 -2.270 1.00 1.00 H new ATOM 0 HB2 GLU A 20 2.670 9.382 -0.926 1.00 1.00 H new ATOM 0 HB3 GLU A 20 1.513 8.110 -1.262 1.00 1.00 H new ATOM 0 HG2 GLU A 20 4.231 7.564 0.024 1.00 1.00 H new ATOM 0 HG3 GLU A 20 2.792 7.900 0.967 1.00 1.00 H new ATOM 308 N ALA A 21 1.755 8.809 -4.075 1.00 1.00 N ATOM 309 CA ALA A 21 0.790 8.694 -5.160 1.00 1.00 C ATOM 310 C ALA A 21 1.309 7.750 -6.239 1.00 1.00 C ATOM 311 O ALA A 21 0.629 6.803 -6.629 1.00 1.00 O ATOM 312 CB ALA A 21 0.522 10.072 -5.772 1.00 1.00 C ATOM 0 H ALA A 21 1.937 9.764 -3.765 1.00 1.00 H new ATOM 0 HA ALA A 21 -0.138 8.291 -4.754 1.00 1.00 H new ATOM 0 HB1 ALA A 21 -0.201 9.976 -6.582 1.00 1.00 H new ATOM 0 HB2 ALA A 21 0.123 10.738 -5.007 1.00 1.00 H new ATOM 0 HB3 ALA A 21 1.453 10.484 -6.163 1.00 1.00 H new ATOM 318 N LYS A 22 2.519 8.018 -6.718 1.00 1.00 N ATOM 319 CA LYS A 22 3.121 7.189 -7.755 1.00 1.00 C ATOM 320 C LYS A 22 3.261 5.747 -7.277 1.00 1.00 C ATOM 321 O LYS A 22 3.300 4.819 -8.084 1.00 1.00 O ATOM 322 CB LYS A 22 4.499 7.742 -8.134 1.00 1.00 C ATOM 323 CG LYS A 22 4.396 9.242 -8.444 1.00 1.00 C ATOM 324 CD LYS A 22 3.571 9.471 -9.718 1.00 1.00 C ATOM 325 CE LYS A 22 2.186 10.008 -9.344 1.00 1.00 C ATOM 326 NZ LYS A 22 2.303 11.436 -8.934 1.00 1.00 N ATOM 0 H LYS A 22 3.099 8.798 -6.407 1.00 1.00 H new ATOM 0 HA LYS A 22 2.471 7.207 -8.630 1.00 1.00 H new ATOM 0 HB2 LYS A 22 5.203 7.579 -7.318 1.00 1.00 H new ATOM 0 HB3 LYS A 22 4.888 7.209 -9.002 1.00 1.00 H new ATOM 0 HG2 LYS A 22 3.933 9.762 -7.605 1.00 1.00 H new ATOM 0 HG3 LYS A 22 5.394 9.663 -8.569 1.00 1.00 H new ATOM 0 HD2 LYS A 22 4.082 10.178 -10.372 1.00 1.00 H new ATOM 0 HD3 LYS A 22 3.473 8.538 -10.272 1.00 1.00 H new ATOM 0 HE2 LYS A 22 1.507 9.916 -10.192 1.00 1.00 H new ATOM 0 HE3 LYS A 22 1.762 9.418 -8.531 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 1.364 11.882 -8.958 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 2.687 11.490 -7.969 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 2.940 11.934 -9.588 1.00 1.00 H new ATOM 340 N GLU A 23 3.335 5.565 -5.963 1.00 1.00 N ATOM 341 CA GLU A 23 3.469 4.230 -5.393 1.00 1.00 C ATOM 342 C GLU A 23 2.094 3.620 -5.152 1.00 1.00 C ATOM 343 O GLU A 23 1.724 2.624 -5.775 1.00 1.00 O ATOM 344 CB GLU A 23 4.240 4.299 -4.073 1.00 1.00 C ATOM 345 CG GLU A 23 5.678 4.745 -4.343 1.00 1.00 C ATOM 346 CD GLU A 23 6.500 3.571 -4.862 1.00 1.00 C ATOM 347 OE1 GLU A 23 6.308 2.472 -4.367 1.00 1.00 O ATOM 348 OE2 GLU A 23 7.313 3.788 -5.746 1.00 1.00 O ATOM 0 H GLU A 23 3.305 6.319 -5.277 1.00 1.00 H new ATOM 0 HA GLU A 23 4.017 3.604 -6.097 1.00 1.00 H new ATOM 0 HB2 GLU A 23 3.754 4.997 -3.392 1.00 1.00 H new ATOM 0 HB3 GLU A 23 4.236 3.324 -3.586 1.00 1.00 H new ATOM 0 HG2 GLU A 23 5.685 5.555 -5.072 1.00 1.00 H new ATOM 0 HG3 GLU A 23 6.124 5.136 -3.428 1.00 1.00 H new ATOM 355 N ALA A 24 1.346 4.231 -4.241 1.00 1.00 N ATOM 356 CA ALA A 24 0.010 3.762 -3.904 1.00 1.00 C ATOM 357 C ALA A 24 -0.725 3.254 -5.141 1.00 1.00 C ATOM 358 O ALA A 24 -1.284 2.159 -5.130 1.00 1.00 O ATOM 359 CB ALA A 24 -0.787 4.904 -3.266 1.00 1.00 C ATOM 0 H ALA A 24 1.645 5.056 -3.721 1.00 1.00 H new ATOM 0 HA ALA A 24 0.105 2.935 -3.200 1.00 1.00 H new ATOM 0 HB1 ALA A 24 -1.788 4.553 -3.014 1.00 1.00 H new ATOM 0 HB2 ALA A 24 -0.281 5.239 -2.361 1.00 1.00 H new ATOM 0 HB3 ALA A 24 -0.860 5.734 -3.969 1.00 1.00 H new ATOM 365 N CYS A 25 -0.726 4.054 -6.200 1.00 1.00 N ATOM 366 CA CYS A 25 -1.406 3.671 -7.435 1.00 1.00 C ATOM 367 C CYS A 25 -0.629 2.586 -8.177 1.00 1.00 C ATOM 368 O CYS A 25 -1.223 1.714 -8.811 1.00 1.00 O ATOM 369 CB CYS A 25 -1.567 4.892 -8.342 1.00 1.00 C ATOM 370 SG CYS A 25 -0.993 4.484 -10.010 1.00 1.00 S ATOM 0 H CYS A 25 -0.268 4.965 -6.231 1.00 1.00 H new ATOM 0 HA CYS A 25 -2.387 3.276 -7.171 1.00 1.00 H new ATOM 0 HB2 CYS A 25 -2.612 5.202 -8.371 1.00 1.00 H new ATOM 0 HB3 CYS A 25 -0.996 5.731 -7.945 1.00 1.00 H new ATOM 0 HG CYS A 25 -1.132 5.521 -10.782 1.00 1.00 H new ATOM 376 N ASP A 26 0.696 2.642 -8.094 1.00 1.00 N ATOM 377 CA ASP A 26 1.530 1.651 -8.767 1.00 1.00 C ATOM 378 C ASP A 26 1.602 0.373 -7.945 1.00 1.00 C ATOM 379 O ASP A 26 2.054 -0.666 -8.428 1.00 1.00 O ATOM 380 CB ASP A 26 2.938 2.203 -8.977 1.00 1.00 C ATOM 381 CG ASP A 26 3.816 1.151 -9.643 1.00 1.00 C ATOM 382 OD1 ASP A 26 3.268 0.270 -10.286 1.00 1.00 O ATOM 383 OD2 ASP A 26 5.026 1.237 -9.499 1.00 1.00 O ATOM 0 H ASP A 26 1.211 3.353 -7.575 1.00 1.00 H new ATOM 0 HA ASP A 26 1.084 1.426 -9.736 1.00 1.00 H new ATOM 0 HB2 ASP A 26 2.898 3.099 -9.596 1.00 1.00 H new ATOM 0 HB3 ASP A 26 3.369 2.496 -8.020 1.00 1.00 H new ATOM 388 N TRP A 27 1.148 0.455 -6.702 1.00 1.00 N ATOM 389 CA TRP A 27 1.157 -0.704 -5.820 1.00 1.00 C ATOM 390 C TRP A 27 -0.146 -1.480 -5.962 1.00 1.00 C ATOM 391 O TRP A 27 -0.146 -2.710 -6.009 1.00 1.00 O ATOM 392 CB TRP A 27 1.333 -0.252 -4.369 1.00 1.00 C ATOM 393 CG TRP A 27 1.514 -1.448 -3.491 1.00 1.00 C ATOM 394 CD1 TRP A 27 2.708 -1.984 -3.145 1.00 1.00 C ATOM 395 CD2 TRP A 27 0.496 -2.264 -2.841 1.00 1.00 C ATOM 396 NE1 TRP A 27 2.487 -3.076 -2.325 1.00 1.00 N ATOM 397 CE2 TRP A 27 1.140 -3.289 -2.109 1.00 1.00 C ATOM 398 CE3 TRP A 27 -0.909 -2.213 -2.818 1.00 1.00 C ATOM 399 CZ2 TRP A 27 0.415 -4.230 -1.378 1.00 1.00 C ATOM 400 CZ3 TRP A 27 -1.642 -3.159 -2.083 1.00 1.00 C ATOM 401 CH2 TRP A 27 -0.982 -4.165 -1.365 1.00 1.00 C ATOM 0 H TRP A 27 0.771 1.306 -6.284 1.00 1.00 H new ATOM 0 HA TRP A 27 1.988 -1.352 -6.098 1.00 1.00 H new ATOM 0 HB2 TRP A 27 2.197 0.408 -4.285 1.00 1.00 H new ATOM 0 HB3 TRP A 27 0.463 0.320 -4.047 1.00 1.00 H new ATOM 0 HD1 TRP A 27 3.675 -1.619 -3.458 1.00 1.00 H new ATOM 0 HE1 TRP A 27 3.229 -3.653 -1.928 1.00 1.00 H new ATOM 0 HE3 TRP A 27 -1.427 -1.442 -3.369 1.00 1.00 H new ATOM 0 HZ2 TRP A 27 0.929 -5.003 -0.826 1.00 1.00 H new ATOM 0 HZ3 TRP A 27 -2.721 -3.111 -2.071 1.00 1.00 H new ATOM 0 HH2 TRP A 27 -1.552 -4.890 -0.802 1.00 1.00 H new ATOM 412 N LEU A 28 -1.255 -0.751 -6.033 1.00 1.00 N ATOM 413 CA LEU A 28 -2.563 -1.377 -6.175 1.00 1.00 C ATOM 414 C LEU A 28 -2.558 -2.372 -7.332 1.00 1.00 C ATOM 415 O LEU A 28 -2.699 -3.577 -7.129 1.00 1.00 O ATOM 416 CB LEU A 28 -3.629 -0.307 -6.430 1.00 1.00 C ATOM 417 CG LEU A 28 -3.970 0.410 -5.118 1.00 1.00 C ATOM 418 CD1 LEU A 28 -4.433 1.840 -5.413 1.00 1.00 C ATOM 419 CD2 LEU A 28 -5.096 -0.336 -4.398 1.00 1.00 C ATOM 0 H LEU A 28 -1.274 0.268 -5.995 1.00 1.00 H new ATOM 0 HA LEU A 28 -2.792 -1.909 -5.251 1.00 1.00 H new ATOM 0 HB2 LEU A 28 -3.267 0.412 -7.165 1.00 1.00 H new ATOM 0 HB3 LEU A 28 -4.525 -0.766 -6.848 1.00 1.00 H new ATOM 0 HG LEU A 28 -3.081 0.433 -4.488 1.00 1.00 H new ATOM 0 HD11 LEU A 28 -4.674 2.345 -4.477 1.00 1.00 H new ATOM 0 HD12 LEU A 28 -3.637 2.382 -5.923 1.00 1.00 H new ATOM 0 HD13 LEU A 28 -5.318 1.812 -6.049 1.00 1.00 H new ATOM 0 HD21 LEU A 28 -5.335 0.177 -3.466 1.00 1.00 H new ATOM 0 HD22 LEU A 28 -5.980 -0.362 -5.035 1.00 1.00 H new ATOM 0 HD23 LEU A 28 -4.776 -1.355 -4.179 1.00 1.00 H new ATOM 431 N ARG A 29 -2.395 -1.856 -8.547 1.00 1.00 N ATOM 432 CA ARG A 29 -2.376 -2.707 -9.731 1.00 1.00 C ATOM 433 C ARG A 29 -1.424 -3.882 -9.533 1.00 1.00 C ATOM 434 O ARG A 29 -1.634 -4.963 -10.084 1.00 1.00 O ATOM 435 CB ARG A 29 -1.944 -1.894 -10.954 1.00 1.00 C ATOM 436 CG ARG A 29 -0.608 -1.206 -10.673 1.00 1.00 C ATOM 437 CD ARG A 29 -0.108 -0.529 -11.950 1.00 1.00 C ATOM 438 NE ARG A 29 -1.225 0.060 -12.680 1.00 1.00 N ATOM 439 CZ ARG A 29 -1.776 1.203 -12.286 1.00 1.00 C ATOM 440 NH1 ARG A 29 -1.319 1.818 -11.228 1.00 1.00 N ATOM 441 NH2 ARG A 29 -2.773 1.713 -12.957 1.00 1.00 N ATOM 0 H ARG A 29 -2.275 -0.861 -8.736 1.00 1.00 H new ATOM 0 HA ARG A 29 -3.382 -3.095 -9.892 1.00 1.00 H new ATOM 0 HB2 ARG A 29 -1.852 -2.547 -11.822 1.00 1.00 H new ATOM 0 HB3 ARG A 29 -2.703 -1.150 -11.194 1.00 1.00 H new ATOM 0 HG2 ARG A 29 -0.726 -0.468 -9.879 1.00 1.00 H new ATOM 0 HG3 ARG A 29 0.123 -1.935 -10.324 1.00 1.00 H new ATOM 0 HD2 ARG A 29 0.620 0.243 -11.700 1.00 1.00 H new ATOM 0 HD3 ARG A 29 0.404 -1.257 -12.580 1.00 1.00 H new ATOM 0 HE ARG A 29 -1.589 -0.414 -13.507 1.00 1.00 H new ATOM 0 HH11 ARG A 29 -0.539 1.421 -10.704 1.00 1.00 H new ATOM 0 HH12 ARG A 29 -1.742 2.695 -10.926 1.00 1.00 H new ATOM 0 HH21 ARG A 29 -3.129 1.234 -13.784 1.00 1.00 H new ATOM 0 HH22 ARG A 29 -3.196 2.590 -12.654 1.00 1.00 H new ATOM 455 N ALA A 30 -0.379 -3.665 -8.742 1.00 1.00 N ATOM 456 CA ALA A 30 0.599 -4.715 -8.479 1.00 1.00 C ATOM 457 C ALA A 30 0.032 -5.739 -7.501 1.00 1.00 C ATOM 458 O ALA A 30 0.435 -6.901 -7.500 1.00 1.00 O ATOM 459 CB ALA A 30 1.877 -4.108 -7.901 1.00 1.00 C ATOM 0 H ALA A 30 -0.188 -2.779 -8.275 1.00 1.00 H new ATOM 0 HA ALA A 30 0.830 -5.215 -9.420 1.00 1.00 H new ATOM 0 HB1 ALA A 30 2.601 -4.900 -7.708 1.00 1.00 H new ATOM 0 HB2 ALA A 30 2.297 -3.398 -8.613 1.00 1.00 H new ATOM 0 HB3 ALA A 30 1.646 -3.593 -6.969 1.00 1.00 H new ATOM 465 N ALA A 31 -0.903 -5.296 -6.668 1.00 1.00 N ATOM 466 CA ALA A 31 -1.519 -6.179 -5.685 1.00 1.00 C ATOM 467 C ALA A 31 -2.680 -6.949 -6.307 1.00 1.00 C ATOM 468 O ALA A 31 -2.865 -8.136 -6.040 1.00 1.00 O ATOM 469 CB ALA A 31 -2.022 -5.361 -4.496 1.00 1.00 C ATOM 0 H ALA A 31 -1.249 -4.337 -6.653 1.00 1.00 H new ATOM 0 HA ALA A 31 -0.770 -6.893 -5.344 1.00 1.00 H new ATOM 0 HB1 ALA A 31 -2.481 -6.026 -3.765 1.00 1.00 H new ATOM 0 HB2 ALA A 31 -1.185 -4.837 -4.035 1.00 1.00 H new ATOM 0 HB3 ALA A 31 -2.759 -4.635 -4.839 1.00 1.00 H new ATOM 475 N GLY A 32 -3.458 -6.265 -7.139 1.00 1.00 N ATOM 476 CA GLY A 32 -4.599 -6.893 -7.796 1.00 1.00 C ATOM 477 C GLY A 32 -5.822 -5.984 -7.754 1.00 1.00 C ATOM 478 O GLY A 32 -6.959 -6.457 -7.730 1.00 1.00 O ATOM 0 H GLY A 32 -3.321 -5.282 -7.374 1.00 1.00 H new ATOM 0 HA2 GLY A 32 -4.347 -7.121 -8.831 1.00 1.00 H new ATOM 0 HA3 GLY A 32 -4.828 -7.840 -7.308 1.00 1.00 H new ATOM 482 N PHE A 33 -5.582 -4.678 -7.744 1.00 1.00 N ATOM 483 CA PHE A 33 -6.668 -3.707 -7.703 1.00 1.00 C ATOM 484 C PHE A 33 -6.356 -2.525 -8.614 1.00 1.00 C ATOM 485 O PHE A 33 -6.357 -1.373 -8.179 1.00 1.00 O ATOM 486 CB PHE A 33 -6.871 -3.221 -6.268 1.00 1.00 C ATOM 487 CG PHE A 33 -6.772 -4.402 -5.332 1.00 1.00 C ATOM 488 CD1 PHE A 33 -7.703 -5.444 -5.428 1.00 1.00 C ATOM 489 CD2 PHE A 33 -5.751 -4.462 -4.377 1.00 1.00 C ATOM 490 CE1 PHE A 33 -7.612 -6.545 -4.568 1.00 1.00 C ATOM 491 CE2 PHE A 33 -5.660 -5.562 -3.516 1.00 1.00 C ATOM 492 CZ PHE A 33 -6.591 -6.605 -3.611 1.00 1.00 C ATOM 0 H PHE A 33 -4.648 -4.268 -7.764 1.00 1.00 H new ATOM 0 HA PHE A 33 -7.583 -4.185 -8.054 1.00 1.00 H new ATOM 0 HB2 PHE A 33 -6.119 -2.474 -6.013 1.00 1.00 H new ATOM 0 HB3 PHE A 33 -7.844 -2.741 -6.167 1.00 1.00 H new ATOM 0 HD1 PHE A 33 -8.491 -5.398 -6.165 1.00 1.00 H new ATOM 0 HD2 PHE A 33 -5.033 -3.659 -4.304 1.00 1.00 H new ATOM 0 HE1 PHE A 33 -8.330 -7.349 -4.643 1.00 1.00 H new ATOM 0 HE2 PHE A 33 -4.872 -5.607 -2.779 1.00 1.00 H new ATOM 0 HZ PHE A 33 -6.521 -7.454 -2.947 1.00 1.00 H new ATOM 502 N PRO A 34 -6.086 -2.793 -9.866 1.00 1.00 N ATOM 503 CA PRO A 34 -5.759 -1.735 -10.866 1.00 1.00 C ATOM 504 C PRO A 34 -6.966 -0.858 -11.181 1.00 1.00 C ATOM 505 O PRO A 34 -6.821 0.311 -11.539 1.00 1.00 O ATOM 506 CB PRO A 34 -5.321 -2.521 -12.104 1.00 1.00 C ATOM 507 CG PRO A 34 -5.946 -3.868 -11.964 1.00 1.00 C ATOM 508 CD PRO A 34 -6.067 -4.138 -10.464 1.00 1.00 C ATOM 0 HA PRO A 34 -4.993 -1.051 -10.501 1.00 1.00 H new ATOM 0 HB2 PRO A 34 -5.651 -2.028 -13.018 1.00 1.00 H new ATOM 0 HB3 PRO A 34 -4.235 -2.596 -12.157 1.00 1.00 H new ATOM 0 HG2 PRO A 34 -6.925 -3.893 -12.443 1.00 1.00 H new ATOM 0 HG3 PRO A 34 -5.336 -4.631 -12.447 1.00 1.00 H new ATOM 0 HD2 PRO A 34 -6.975 -4.693 -10.229 1.00 1.00 H new ATOM 0 HD3 PRO A 34 -5.228 -4.728 -10.095 1.00 1.00 H new ATOM 516 N GLN A 35 -8.156 -1.431 -11.042 1.00 1.00 N ATOM 517 CA GLN A 35 -9.381 -0.692 -11.312 1.00 1.00 C ATOM 518 C GLN A 35 -9.484 0.520 -10.393 1.00 1.00 C ATOM 519 O GLN A 35 -10.285 1.423 -10.626 1.00 1.00 O ATOM 520 CB GLN A 35 -10.594 -1.597 -11.098 1.00 1.00 C ATOM 521 CG GLN A 35 -10.668 -2.013 -9.628 1.00 1.00 C ATOM 522 CD GLN A 35 -11.407 -0.949 -8.822 1.00 1.00 C ATOM 523 OE1 GLN A 35 -10.780 -0.308 -7.874 1.00 1.00 O flip ATOM 524 NE2 GLN A 35 -12.588 -0.696 -9.063 1.00 1.00 N flip ATOM 0 H GLN A 35 -8.297 -2.397 -10.746 1.00 1.00 H new ATOM 0 HA GLN A 35 -9.359 -0.352 -12.347 1.00 1.00 H new ATOM 0 HB2 GLN A 35 -11.506 -1.074 -11.385 1.00 1.00 H new ATOM 0 HB3 GLN A 35 -10.519 -2.480 -11.733 1.00 1.00 H new ATOM 0 HG2 GLN A 35 -11.181 -2.971 -9.538 1.00 1.00 H new ATOM 0 HG3 GLN A 35 -9.663 -2.150 -9.229 1.00 1.00 H new ATOM 0 HE21 GLN A 35 -13.076 -1.198 -9.805 1.00 1.00 H new ATOM 0 HE22 GLN A 35 -13.078 0.016 -8.521 1.00 1.00 H new ATOM 533 N TYR A 36 -8.666 0.530 -9.343 1.00 1.00 N ATOM 534 CA TYR A 36 -8.680 1.635 -8.394 1.00 1.00 C ATOM 535 C TYR A 36 -7.894 2.822 -8.936 1.00 1.00 C ATOM 536 O TYR A 36 -8.472 3.864 -9.245 1.00 1.00 O ATOM 537 CB TYR A 36 -8.072 1.188 -7.066 1.00 1.00 C ATOM 538 CG TYR A 36 -9.021 1.521 -5.941 1.00 1.00 C ATOM 539 CD1 TYR A 36 -9.512 2.825 -5.804 1.00 1.00 C ATOM 540 CD2 TYR A 36 -9.410 0.527 -5.036 1.00 1.00 C ATOM 541 CE1 TYR A 36 -10.393 3.133 -4.761 1.00 1.00 C ATOM 542 CE2 TYR A 36 -10.292 0.835 -3.994 1.00 1.00 C ATOM 543 CZ TYR A 36 -10.783 2.139 -3.856 1.00 1.00 C ATOM 544 OH TYR A 36 -11.652 2.448 -2.831 1.00 1.00 O ATOM 0 H TYR A 36 -7.993 -0.207 -9.131 1.00 1.00 H new ATOM 0 HA TYR A 36 -9.715 1.940 -8.240 1.00 1.00 H new ATOM 0 HB2 TYR A 36 -7.877 0.116 -7.086 1.00 1.00 H new ATOM 0 HB3 TYR A 36 -7.114 1.684 -6.907 1.00 1.00 H new ATOM 0 HD1 TYR A 36 -9.211 3.592 -6.502 1.00 1.00 H new ATOM 0 HD2 TYR A 36 -9.029 -0.478 -5.142 1.00 1.00 H new ATOM 0 HE1 TYR A 36 -10.772 4.139 -4.654 1.00 1.00 H new ATOM 0 HE2 TYR A 36 -10.594 0.067 -3.297 1.00 1.00 H new ATOM 0 HH TYR A 36 -11.256 3.143 -2.264 1.00 1.00 H new ATOM 554 N ALA A 37 -6.576 2.657 -9.049 1.00 1.00 N ATOM 555 CA ALA A 37 -5.708 3.720 -9.556 1.00 1.00 C ATOM 556 C ALA A 37 -6.408 4.508 -10.656 1.00 1.00 C ATOM 557 O ALA A 37 -6.224 5.715 -10.786 1.00 1.00 O ATOM 558 CB ALA A 37 -4.415 3.116 -10.106 1.00 1.00 C ATOM 0 H ALA A 37 -6.086 1.798 -8.797 1.00 1.00 H new ATOM 0 HA ALA A 37 -5.476 4.396 -8.733 1.00 1.00 H new ATOM 0 HB1 ALA A 37 -3.773 3.912 -10.482 1.00 1.00 H new ATOM 0 HB2 ALA A 37 -3.898 2.578 -9.312 1.00 1.00 H new ATOM 0 HB3 ALA A 37 -4.651 2.427 -10.917 1.00 1.00 H new ATOM 564 N GLN A 38 -7.212 3.809 -11.446 1.00 1.00 N ATOM 565 CA GLN A 38 -7.941 4.444 -12.533 1.00 1.00 C ATOM 566 C GLN A 38 -8.817 5.581 -12.010 1.00 1.00 C ATOM 567 O GLN A 38 -8.882 6.654 -12.608 1.00 1.00 O ATOM 568 CB GLN A 38 -8.813 3.402 -13.233 1.00 1.00 C ATOM 569 CG GLN A 38 -8.388 3.280 -14.696 1.00 1.00 C ATOM 570 CD GLN A 38 -8.644 4.594 -15.428 1.00 1.00 C ATOM 571 OE1 GLN A 38 -9.543 5.421 -14.970 1.00 1.00 O flip ATOM 572 NE2 GLN A 38 -8.005 4.874 -16.442 1.00 1.00 N flip ATOM 0 H GLN A 38 -7.375 2.806 -11.354 1.00 1.00 H new ATOM 0 HA GLN A 38 -7.223 4.862 -13.239 1.00 1.00 H new ATOM 0 HB2 GLN A 38 -8.717 2.438 -12.734 1.00 1.00 H new ATOM 0 HB3 GLN A 38 -9.862 3.690 -13.171 1.00 1.00 H new ATOM 0 HG2 GLN A 38 -7.331 3.022 -14.755 1.00 1.00 H new ATOM 0 HG3 GLN A 38 -8.941 2.473 -15.177 1.00 1.00 H new ATOM 0 HE21 GLN A 38 -7.303 4.225 -16.798 1.00 1.00 H new ATOM 0 HE22 GLN A 38 -8.178 5.755 -16.927 1.00 1.00 H new ATOM 581 N LEU A 39 -9.494 5.334 -10.892 1.00 1.00 N ATOM 582 CA LEU A 39 -10.370 6.340 -10.300 1.00 1.00 C ATOM 583 C LEU A 39 -9.587 7.594 -9.914 1.00 1.00 C ATOM 584 O LEU A 39 -10.053 8.713 -10.130 1.00 1.00 O ATOM 585 CB LEU A 39 -11.063 5.770 -9.057 1.00 1.00 C ATOM 586 CG LEU A 39 -12.453 5.242 -9.426 1.00 1.00 C ATOM 587 CD1 LEU A 39 -12.316 4.078 -10.407 1.00 1.00 C ATOM 588 CD2 LEU A 39 -13.163 4.758 -8.159 1.00 1.00 C ATOM 0 H LEU A 39 -9.454 4.452 -10.381 1.00 1.00 H new ATOM 0 HA LEU A 39 -11.118 6.612 -11.045 1.00 1.00 H new ATOM 0 HB2 LEU A 39 -10.461 4.967 -8.632 1.00 1.00 H new ATOM 0 HB3 LEU A 39 -11.150 6.542 -8.293 1.00 1.00 H new ATOM 0 HG LEU A 39 -13.033 6.040 -9.890 1.00 1.00 H new ATOM 0 HD11 LEU A 39 -13.306 3.704 -10.668 1.00 1.00 H new ATOM 0 HD12 LEU A 39 -11.808 4.420 -11.309 1.00 1.00 H new ATOM 0 HD13 LEU A 39 -11.736 3.279 -9.945 1.00 1.00 H new ATOM 0 HD21 LEU A 39 -14.153 4.382 -8.418 1.00 1.00 H new ATOM 0 HD22 LEU A 39 -12.581 3.960 -7.698 1.00 1.00 H new ATOM 0 HD23 LEU A 39 -13.262 5.587 -7.458 1.00 1.00 H new ATOM 600 N TYR A 40 -8.401 7.406 -9.340 1.00 1.00 N ATOM 601 CA TYR A 40 -7.580 8.544 -8.933 1.00 1.00 C ATOM 602 C TYR A 40 -7.594 9.620 -10.009 1.00 1.00 C ATOM 603 O TYR A 40 -7.846 10.792 -9.728 1.00 1.00 O ATOM 604 CB TYR A 40 -6.138 8.096 -8.682 1.00 1.00 C ATOM 605 CG TYR A 40 -5.301 9.288 -8.278 1.00 1.00 C ATOM 606 CD1 TYR A 40 -5.574 9.958 -7.080 1.00 1.00 C ATOM 607 CD2 TYR A 40 -4.254 9.719 -9.100 1.00 1.00 C ATOM 608 CE1 TYR A 40 -4.798 11.060 -6.703 1.00 1.00 C ATOM 609 CE2 TYR A 40 -3.478 10.823 -8.722 1.00 1.00 C ATOM 610 CZ TYR A 40 -3.750 11.493 -7.524 1.00 1.00 C ATOM 611 OH TYR A 40 -2.984 12.580 -7.151 1.00 1.00 O ATOM 0 H TYR A 40 -7.992 6.492 -9.148 1.00 1.00 H new ATOM 0 HA TYR A 40 -7.996 8.953 -8.012 1.00 1.00 H new ATOM 0 HB2 TYR A 40 -6.113 7.339 -7.899 1.00 1.00 H new ATOM 0 HB3 TYR A 40 -5.727 7.638 -9.582 1.00 1.00 H new ATOM 0 HD1 TYR A 40 -6.383 9.625 -6.447 1.00 1.00 H new ATOM 0 HD2 TYR A 40 -4.044 9.202 -10.024 1.00 1.00 H new ATOM 0 HE1 TYR A 40 -5.008 11.577 -5.778 1.00 1.00 H new ATOM 0 HE2 TYR A 40 -2.670 11.157 -9.356 1.00 1.00 H new ATOM 0 HH TYR A 40 -2.945 12.633 -6.173 1.00 1.00 H new ATOM 621 N GLU A 41 -7.319 9.212 -11.241 1.00 1.00 N ATOM 622 CA GLU A 41 -7.300 10.146 -12.358 1.00 1.00 C ATOM 623 C GLU A 41 -8.538 11.037 -12.335 1.00 1.00 C ATOM 624 O GLU A 41 -8.489 12.193 -12.756 1.00 1.00 O ATOM 625 CB GLU A 41 -7.246 9.376 -13.680 1.00 1.00 C ATOM 626 CG GLU A 41 -6.224 8.243 -13.568 1.00 1.00 C ATOM 627 CD GLU A 41 -5.660 7.911 -14.946 1.00 1.00 C ATOM 628 OE1 GLU A 41 -6.270 8.305 -15.925 1.00 1.00 O ATOM 629 OE2 GLU A 41 -4.625 7.267 -15.000 1.00 1.00 O ATOM 0 H GLU A 41 -7.107 8.246 -11.491 1.00 1.00 H new ATOM 0 HA GLU A 41 -6.414 10.775 -12.267 1.00 1.00 H new ATOM 0 HB2 GLU A 41 -8.230 8.971 -13.918 1.00 1.00 H new ATOM 0 HB3 GLU A 41 -6.973 10.048 -14.494 1.00 1.00 H new ATOM 0 HG2 GLU A 41 -5.417 8.535 -12.896 1.00 1.00 H new ATOM 0 HG3 GLU A 41 -6.694 7.360 -13.136 1.00 1.00 H new ATOM 636 N ASP A 42 -9.648 10.494 -11.844 1.00 1.00 N ATOM 637 CA ASP A 42 -10.892 11.254 -11.773 1.00 1.00 C ATOM 638 C ASP A 42 -11.052 11.900 -10.400 1.00 1.00 C ATOM 639 O ASP A 42 -11.928 12.739 -10.197 1.00 1.00 O ATOM 640 CB ASP A 42 -12.083 10.331 -12.043 1.00 1.00 C ATOM 641 CG ASP A 42 -12.953 10.911 -13.152 1.00 1.00 C ATOM 642 OD1 ASP A 42 -12.606 10.726 -14.307 1.00 1.00 O ATOM 643 OD2 ASP A 42 -13.955 11.527 -12.830 1.00 1.00 O ATOM 0 H ASP A 42 -9.712 9.539 -11.492 1.00 1.00 H new ATOM 0 HA ASP A 42 -10.858 12.038 -12.529 1.00 1.00 H new ATOM 0 HB2 ASP A 42 -11.728 9.341 -12.328 1.00 1.00 H new ATOM 0 HB3 ASP A 42 -12.672 10.209 -11.134 1.00 1.00 H new ATOM 648 N SER A 43 -10.195 11.500 -9.463 1.00 1.00 N ATOM 649 CA SER A 43 -10.241 12.041 -8.108 1.00 1.00 C ATOM 650 C SER A 43 -11.313 11.334 -7.284 1.00 1.00 C ATOM 651 O SER A 43 -11.754 11.844 -6.254 1.00 1.00 O ATOM 652 CB SER A 43 -10.526 13.543 -8.144 1.00 1.00 C ATOM 653 OG SER A 43 -9.870 14.170 -7.051 1.00 1.00 O ATOM 0 H SER A 43 -9.463 10.806 -9.617 1.00 1.00 H new ATOM 0 HA SER A 43 -9.270 11.873 -7.642 1.00 1.00 H new ATOM 0 HB2 SER A 43 -10.178 13.969 -9.085 1.00 1.00 H new ATOM 0 HB3 SER A 43 -11.600 13.723 -8.091 1.00 1.00 H new ATOM 0 HG SER A 43 -8.905 14.008 -7.112 1.00 1.00 H new ATOM 659 N GLN A 44 -11.723 10.158 -7.743 1.00 1.00 N ATOM 660 CA GLN A 44 -12.740 9.385 -7.040 1.00 1.00 C ATOM 661 C GLN A 44 -12.088 8.432 -6.047 1.00 1.00 C ATOM 662 O GLN A 44 -12.652 7.395 -5.702 1.00 1.00 O ATOM 663 CB GLN A 44 -13.572 8.584 -8.042 1.00 1.00 C ATOM 664 CG GLN A 44 -14.461 9.533 -8.845 1.00 1.00 C ATOM 665 CD GLN A 44 -15.709 9.881 -8.043 1.00 1.00 C ATOM 666 OE1 GLN A 44 -15.856 11.011 -7.579 1.00 1.00 O ATOM 667 NE2 GLN A 44 -16.620 8.968 -7.843 1.00 1.00 N ATOM 0 H GLN A 44 -11.370 9.720 -8.594 1.00 1.00 H new ATOM 0 HA GLN A 44 -13.388 10.075 -6.499 1.00 1.00 H new ATOM 0 HB2 GLN A 44 -12.916 8.029 -8.713 1.00 1.00 H new ATOM 0 HB3 GLN A 44 -14.185 7.851 -7.517 1.00 1.00 H new ATOM 0 HG2 GLN A 44 -13.910 10.441 -9.089 1.00 1.00 H new ATOM 0 HG3 GLN A 44 -14.743 9.068 -9.790 1.00 1.00 H new ATOM 0 HE21 GLN A 44 -16.497 8.032 -8.228 1.00 1.00 H new ATOM 0 HE22 GLN A 44 -17.455 9.191 -7.301 1.00 1.00 H new ATOM 676 N PHE A 45 -10.891 8.791 -5.597 1.00 1.00 N ATOM 677 CA PHE A 45 -10.161 7.959 -4.650 1.00 1.00 C ATOM 678 C PHE A 45 -10.742 8.062 -3.250 1.00 1.00 C ATOM 679 O PHE A 45 -10.813 7.062 -2.537 1.00 1.00 O ATOM 680 CB PHE A 45 -8.689 8.359 -4.624 1.00 1.00 C ATOM 681 CG PHE A 45 -7.834 7.164 -4.982 1.00 1.00 C ATOM 682 CD1 PHE A 45 -8.007 6.528 -6.218 1.00 1.00 C ATOM 683 CD2 PHE A 45 -6.866 6.697 -4.085 1.00 1.00 C ATOM 684 CE1 PHE A 45 -7.212 5.426 -6.555 1.00 1.00 C ATOM 685 CE2 PHE A 45 -6.072 5.596 -4.422 1.00 1.00 C ATOM 686 CZ PHE A 45 -6.244 4.960 -5.657 1.00 1.00 C ATOM 0 H PHE A 45 -10.409 9.647 -5.871 1.00 1.00 H new ATOM 0 HA PHE A 45 -10.254 6.925 -4.981 1.00 1.00 H new ATOM 0 HB2 PHE A 45 -8.510 9.172 -5.328 1.00 1.00 H new ATOM 0 HB3 PHE A 45 -8.419 8.729 -3.635 1.00 1.00 H new ATOM 0 HD1 PHE A 45 -8.753 6.888 -6.911 1.00 1.00 H new ATOM 0 HD2 PHE A 45 -6.732 7.187 -3.132 1.00 1.00 H new ATOM 0 HE1 PHE A 45 -7.345 4.935 -7.508 1.00 1.00 H new ATOM 0 HE2 PHE A 45 -5.326 5.236 -3.729 1.00 1.00 H new ATOM 0 HZ PHE A 45 -5.630 4.110 -5.917 1.00 1.00 H new ATOM 696 N PRO A 46 -11.160 9.225 -2.828 1.00 1.00 N ATOM 697 CA PRO A 46 -11.736 9.371 -1.479 1.00 1.00 C ATOM 698 C PRO A 46 -13.159 8.839 -1.441 1.00 1.00 C ATOM 699 O PRO A 46 -14.057 9.381 -2.080 1.00 1.00 O ATOM 700 CB PRO A 46 -11.701 10.880 -1.205 1.00 1.00 C ATOM 701 CG PRO A 46 -11.363 11.561 -2.500 1.00 1.00 C ATOM 702 CD PRO A 46 -11.135 10.487 -3.568 1.00 1.00 C ATOM 0 HA PRO A 46 -11.184 8.807 -0.728 1.00 1.00 H new ATOM 0 HB2 PRO A 46 -12.664 11.225 -0.829 1.00 1.00 H new ATOM 0 HB3 PRO A 46 -10.959 11.115 -0.442 1.00 1.00 H new ATOM 0 HG2 PRO A 46 -12.171 12.228 -2.800 1.00 1.00 H new ATOM 0 HG3 PRO A 46 -10.470 12.175 -2.383 1.00 1.00 H new ATOM 0 HD2 PRO A 46 -11.912 10.515 -4.332 1.00 1.00 H new ATOM 0 HD3 PRO A 46 -10.182 10.630 -4.078 1.00 1.00 H new ATOM 710 N ILE A 47 -13.342 7.772 -0.676 1.00 1.00 N ATOM 711 CA ILE A 47 -14.651 7.141 -0.536 1.00 1.00 C ATOM 712 C ILE A 47 -14.649 6.213 0.674 1.00 1.00 C ATOM 713 O ILE A 47 -13.618 6.022 1.319 1.00 1.00 O ATOM 714 CB ILE A 47 -14.980 6.313 -1.791 1.00 1.00 C ATOM 715 CG1 ILE A 47 -13.751 5.485 -2.178 1.00 1.00 C ATOM 716 CG2 ILE A 47 -15.361 7.221 -2.967 1.00 1.00 C ATOM 717 CD1 ILE A 47 -14.128 4.480 -3.271 1.00 1.00 C ATOM 0 H ILE A 47 -12.599 7.322 -0.140 1.00 1.00 H new ATOM 0 HA ILE A 47 -15.400 7.923 -0.407 1.00 1.00 H new ATOM 0 HB ILE A 47 -15.826 5.664 -1.566 1.00 1.00 H new ATOM 0 HG12 ILE A 47 -12.956 6.141 -2.532 1.00 1.00 H new ATOM 0 HG13 ILE A 47 -13.365 4.959 -1.305 1.00 1.00 H new ATOM 0 HG21 ILE A 47 -15.588 6.609 -3.840 1.00 1.00 H new ATOM 0 HG22 ILE A 47 -16.237 7.813 -2.701 1.00 1.00 H new ATOM 0 HG23 ILE A 47 -14.529 7.887 -3.197 1.00 1.00 H new ATOM 0 HD11 ILE A 47 -13.251 3.893 -3.544 1.00 1.00 H new ATOM 0 HD12 ILE A 47 -14.909 3.816 -2.901 1.00 1.00 H new ATOM 0 HD13 ILE A 47 -14.493 5.015 -4.147 1.00 1.00 H new ATOM 729 N ASN A 48 -15.803 5.628 0.967 1.00 1.00 N ATOM 730 CA ASN A 48 -15.913 4.707 2.091 1.00 1.00 C ATOM 731 C ASN A 48 -14.893 3.580 1.930 1.00 1.00 C ATOM 732 O ASN A 48 -15.192 2.536 1.352 1.00 1.00 O ATOM 733 CB ASN A 48 -17.330 4.132 2.144 1.00 1.00 C ATOM 734 CG ASN A 48 -17.651 3.640 3.549 1.00 1.00 C ATOM 735 OD1 ASN A 48 -16.679 3.398 4.386 1.00 1.00 O flip ATOM 736 ND2 ASN A 48 -18.820 3.452 3.889 1.00 1.00 N flip ATOM 0 H ASN A 48 -16.669 5.773 0.448 1.00 1.00 H new ATOM 0 HA ASN A 48 -15.711 5.238 3.021 1.00 1.00 H new ATOM 0 HB2 ASN A 48 -18.050 4.894 1.845 1.00 1.00 H new ATOM 0 HB3 ASN A 48 -17.423 3.310 1.434 1.00 1.00 H new ATOM 0 HD21 ASN A 48 -19.578 3.642 3.234 1.00 1.00 H new ATOM 0 HD22 ASN A 48 -19.029 3.107 4.826 1.00 1.00 H new ATOM 743 N ILE A 49 -13.682 3.812 2.433 1.00 1.00 N ATOM 744 CA ILE A 49 -12.612 2.825 2.328 1.00 1.00 C ATOM 745 C ILE A 49 -13.068 1.455 2.819 1.00 1.00 C ATOM 746 O ILE A 49 -13.194 0.519 2.036 1.00 1.00 O ATOM 747 CB ILE A 49 -11.399 3.286 3.141 1.00 1.00 C ATOM 748 CG1 ILE A 49 -10.824 4.560 2.512 1.00 1.00 C ATOM 749 CG2 ILE A 49 -10.334 2.188 3.133 1.00 1.00 C ATOM 750 CD1 ILE A 49 -9.779 5.169 3.449 1.00 1.00 C ATOM 0 H ILE A 49 -13.419 4.671 2.915 1.00 1.00 H new ATOM 0 HA ILE A 49 -12.339 2.735 1.277 1.00 1.00 H new ATOM 0 HB ILE A 49 -11.702 3.490 4.168 1.00 1.00 H new ATOM 0 HG12 ILE A 49 -10.372 4.329 1.548 1.00 1.00 H new ATOM 0 HG13 ILE A 49 -11.623 5.278 2.326 1.00 1.00 H new ATOM 0 HG21 ILE A 49 -9.470 2.515 3.711 1.00 1.00 H new ATOM 0 HG22 ILE A 49 -10.744 1.280 3.575 1.00 1.00 H new ATOM 0 HG23 ILE A 49 -10.028 1.985 2.107 1.00 1.00 H new ATOM 0 HD11 ILE A 49 -9.371 6.075 3.000 1.00 1.00 H new ATOM 0 HD12 ILE A 49 -10.245 5.415 4.403 1.00 1.00 H new ATOM 0 HD13 ILE A 49 -8.975 4.452 3.613 1.00 1.00 H new ATOM 762 N VAL A 50 -13.294 1.344 4.121 1.00 1.00 N ATOM 763 CA VAL A 50 -13.717 0.077 4.711 1.00 1.00 C ATOM 764 C VAL A 50 -14.677 -0.679 3.788 1.00 1.00 C ATOM 765 O VAL A 50 -14.598 -1.901 3.664 1.00 1.00 O ATOM 766 CB VAL A 50 -14.393 0.325 6.061 1.00 1.00 C ATOM 767 CG1 VAL A 50 -15.400 1.468 5.931 1.00 1.00 C ATOM 768 CG2 VAL A 50 -15.122 -0.945 6.504 1.00 1.00 C ATOM 0 H VAL A 50 -13.193 2.110 4.787 1.00 1.00 H new ATOM 0 HA VAL A 50 -12.827 -0.536 4.853 1.00 1.00 H new ATOM 0 HB VAL A 50 -13.637 0.592 6.800 1.00 1.00 H new ATOM 0 HG11 VAL A 50 -15.879 1.642 6.894 1.00 1.00 H new ATOM 0 HG12 VAL A 50 -14.883 2.374 5.614 1.00 1.00 H new ATOM 0 HG13 VAL A 50 -16.156 1.204 5.192 1.00 1.00 H new ATOM 0 HG21 VAL A 50 -15.605 -0.771 7.466 1.00 1.00 H new ATOM 0 HG22 VAL A 50 -15.876 -1.209 5.762 1.00 1.00 H new ATOM 0 HG23 VAL A 50 -14.406 -1.761 6.600 1.00 1.00 H new ATOM 778 N ALA A 51 -15.597 0.052 3.167 1.00 1.00 N ATOM 779 CA ALA A 51 -16.586 -0.559 2.282 1.00 1.00 C ATOM 780 C ALA A 51 -15.953 -1.210 1.050 1.00 1.00 C ATOM 781 O ALA A 51 -16.487 -2.186 0.522 1.00 1.00 O ATOM 782 CB ALA A 51 -17.593 0.498 1.830 1.00 1.00 C ATOM 0 H ALA A 51 -15.680 1.065 3.259 1.00 1.00 H new ATOM 0 HA ALA A 51 -17.082 -1.346 2.851 1.00 1.00 H new ATOM 0 HB1 ALA A 51 -18.330 0.040 1.170 1.00 1.00 H new ATOM 0 HB2 ALA A 51 -18.097 0.917 2.701 1.00 1.00 H new ATOM 0 HB3 ALA A 51 -17.072 1.292 1.296 1.00 1.00 H new ATOM 788 N VAL A 52 -14.826 -0.676 0.586 1.00 1.00 N ATOM 789 CA VAL A 52 -14.173 -1.244 -0.593 1.00 1.00 C ATOM 790 C VAL A 52 -13.266 -2.408 -0.201 1.00 1.00 C ATOM 791 O VAL A 52 -13.246 -3.442 -0.869 1.00 1.00 O ATOM 792 CB VAL A 52 -13.378 -0.164 -1.348 1.00 1.00 C ATOM 793 CG1 VAL A 52 -14.038 1.195 -1.127 1.00 1.00 C ATOM 794 CG2 VAL A 52 -11.924 -0.108 -0.856 1.00 1.00 C ATOM 0 H VAL A 52 -14.354 0.130 0.996 1.00 1.00 H new ATOM 0 HA VAL A 52 -14.946 -1.626 -1.259 1.00 1.00 H new ATOM 0 HB VAL A 52 -13.376 -0.414 -2.409 1.00 1.00 H new ATOM 0 HG11 VAL A 52 -13.477 1.963 -1.660 1.00 1.00 H new ATOM 0 HG12 VAL A 52 -15.062 1.167 -1.501 1.00 1.00 H new ATOM 0 HG13 VAL A 52 -14.047 1.426 -0.062 1.00 1.00 H new ATOM 0 HG21 VAL A 52 -11.384 0.663 -1.405 1.00 1.00 H new ATOM 0 HG22 VAL A 52 -11.909 0.126 0.208 1.00 1.00 H new ATOM 0 HG23 VAL A 52 -11.446 -1.074 -1.022 1.00 1.00 H new ATOM 804 N LYS A 53 -12.518 -2.236 0.880 1.00 1.00 N ATOM 805 CA LYS A 53 -11.615 -3.277 1.346 1.00 1.00 C ATOM 806 C LYS A 53 -12.354 -4.602 1.460 1.00 1.00 C ATOM 807 O LYS A 53 -11.742 -5.661 1.601 1.00 1.00 O ATOM 808 CB LYS A 53 -11.042 -2.892 2.704 1.00 1.00 C ATOM 809 CG LYS A 53 -10.601 -1.427 2.668 1.00 1.00 C ATOM 810 CD LYS A 53 -9.348 -1.243 3.524 1.00 1.00 C ATOM 811 CE LYS A 53 -9.652 -1.645 4.969 1.00 1.00 C ATOM 812 NZ LYS A 53 -8.996 -2.948 5.271 1.00 1.00 N ATOM 0 H LYS A 53 -12.519 -1.389 1.448 1.00 1.00 H new ATOM 0 HA LYS A 53 -10.803 -3.385 0.627 1.00 1.00 H new ATOM 0 HB2 LYS A 53 -11.790 -3.040 3.483 1.00 1.00 H new ATOM 0 HB3 LYS A 53 -10.195 -3.533 2.950 1.00 1.00 H new ATOM 0 HG2 LYS A 53 -10.399 -1.124 1.641 1.00 1.00 H new ATOM 0 HG3 LYS A 53 -11.402 -0.787 3.037 1.00 1.00 H new ATOM 0 HD2 LYS A 53 -8.533 -1.851 3.130 1.00 1.00 H new ATOM 0 HD3 LYS A 53 -9.018 -0.205 3.486 1.00 1.00 H new ATOM 0 HE2 LYS A 53 -9.293 -0.877 5.654 1.00 1.00 H new ATOM 0 HE3 LYS A 53 -10.729 -1.725 5.116 1.00 1.00 H new ATOM 0 HZ1 LYS A 53 -8.814 -3.016 6.293 1.00 1.00 H new ATOM 0 HZ2 LYS A 53 -9.620 -3.727 4.977 1.00 1.00 H new ATOM 0 HZ3 LYS A 53 -8.096 -3.012 4.754 1.00 1.00 H new ATOM 969 N LEU A 63 -3.179 -8.168 1.641 1.00 1.00 N ATOM 970 CA LEU A 63 -3.475 -7.227 0.567 1.00 1.00 C ATOM 971 C LEU A 63 -4.679 -6.365 0.929 1.00 1.00 C ATOM 972 O LEU A 63 -5.068 -5.476 0.172 1.00 1.00 O ATOM 973 CB LEU A 63 -3.760 -7.993 -0.726 1.00 1.00 C ATOM 974 CG LEU A 63 -2.793 -7.535 -1.819 1.00 1.00 C ATOM 975 CD1 LEU A 63 -1.362 -7.915 -1.434 1.00 1.00 C ATOM 976 CD2 LEU A 63 -3.161 -8.218 -3.139 1.00 1.00 C ATOM 0 HA LEU A 63 -2.611 -6.578 0.423 1.00 1.00 H new ATOM 0 HB2 LEU A 63 -3.652 -9.064 -0.557 1.00 1.00 H new ATOM 0 HB3 LEU A 63 -4.789 -7.822 -1.042 1.00 1.00 H new ATOM 0 HG LEU A 63 -2.861 -6.453 -1.932 1.00 1.00 H new ATOM 0 HD11 LEU A 63 -0.676 -7.587 -2.215 1.00 1.00 H new ATOM 0 HD12 LEU A 63 -1.098 -7.432 -0.493 1.00 1.00 H new ATOM 0 HD13 LEU A 63 -1.291 -8.997 -1.319 1.00 1.00 H new ATOM 0 HD21 LEU A 63 -2.474 -7.894 -3.920 1.00 1.00 H new ATOM 0 HD22 LEU A 63 -3.092 -9.299 -3.021 1.00 1.00 H new ATOM 0 HD23 LEU A 63 -4.180 -7.948 -3.417 1.00 1.00 H new ATOM 988 N VAL A 64 -5.265 -6.634 2.091 1.00 1.00 N ATOM 989 CA VAL A 64 -6.427 -5.879 2.545 1.00 1.00 C ATOM 990 C VAL A 64 -6.000 -4.652 3.345 1.00 1.00 C ATOM 991 O VAL A 64 -6.348 -3.524 2.997 1.00 1.00 O ATOM 992 CB VAL A 64 -7.321 -6.768 3.408 1.00 1.00 C ATOM 993 CG1 VAL A 64 -8.222 -5.892 4.281 1.00 1.00 C ATOM 994 CG2 VAL A 64 -8.188 -7.648 2.506 1.00 1.00 C ATOM 0 H VAL A 64 -4.957 -7.365 2.732 1.00 1.00 H new ATOM 0 HA VAL A 64 -6.981 -5.546 1.668 1.00 1.00 H new ATOM 0 HB VAL A 64 -6.700 -7.399 4.044 1.00 1.00 H new ATOM 0 HG11 VAL A 64 -8.860 -6.526 4.897 1.00 1.00 H new ATOM 0 HG12 VAL A 64 -7.606 -5.264 4.924 1.00 1.00 H new ATOM 0 HG13 VAL A 64 -8.843 -5.261 3.645 1.00 1.00 H new ATOM 0 HG21 VAL A 64 -8.826 -8.282 3.121 1.00 1.00 H new ATOM 0 HG22 VAL A 64 -8.809 -7.017 1.870 1.00 1.00 H new ATOM 0 HG23 VAL A 64 -7.548 -8.273 1.883 1.00 1.00 H new ATOM 1004 N GLU A 65 -5.249 -4.877 4.420 1.00 1.00 N ATOM 1005 CA GLU A 65 -4.792 -3.774 5.257 1.00 1.00 C ATOM 1006 C GLU A 65 -4.042 -2.738 4.422 1.00 1.00 C ATOM 1007 O GLU A 65 -4.317 -1.542 4.520 1.00 1.00 O ATOM 1008 CB GLU A 65 -3.892 -4.295 6.381 1.00 1.00 C ATOM 1009 CG GLU A 65 -4.520 -3.969 7.738 1.00 1.00 C ATOM 1010 CD GLU A 65 -4.547 -2.459 7.950 1.00 1.00 C ATOM 1011 OE1 GLU A 65 -3.494 -1.899 8.205 1.00 1.00 O ATOM 1012 OE2 GLU A 65 -5.621 -1.886 7.862 1.00 1.00 O ATOM 0 H GLU A 65 -4.948 -5.801 4.728 1.00 1.00 H new ATOM 0 HA GLU A 65 -5.666 -3.296 5.699 1.00 1.00 H new ATOM 0 HB2 GLU A 65 -3.756 -5.372 6.282 1.00 1.00 H new ATOM 0 HB3 GLU A 65 -2.904 -3.841 6.308 1.00 1.00 H new ATOM 0 HG2 GLU A 65 -5.533 -4.369 7.785 1.00 1.00 H new ATOM 0 HG3 GLU A 65 -3.951 -4.447 8.536 1.00 1.00 H new ATOM 1019 N PRO A 66 -3.113 -3.164 3.598 1.00 1.00 N ATOM 1020 CA PRO A 66 -2.334 -2.232 2.733 1.00 1.00 C ATOM 1021 C PRO A 66 -3.250 -1.376 1.865 1.00 1.00 C ATOM 1022 O PRO A 66 -2.940 -0.226 1.562 1.00 1.00 O ATOM 1023 CB PRO A 66 -1.471 -3.152 1.866 1.00 1.00 C ATOM 1024 CG PRO A 66 -1.415 -4.456 2.589 1.00 1.00 C ATOM 1025 CD PRO A 66 -2.702 -4.563 3.401 1.00 1.00 C ATOM 0 HA PRO A 66 -1.743 -1.529 3.320 1.00 1.00 H new ATOM 0 HB2 PRO A 66 -1.904 -3.274 0.873 1.00 1.00 H new ATOM 0 HB3 PRO A 66 -0.472 -2.737 1.729 1.00 1.00 H new ATOM 0 HG2 PRO A 66 -1.331 -5.285 1.886 1.00 1.00 H new ATOM 0 HG3 PRO A 66 -0.542 -4.500 3.240 1.00 1.00 H new ATOM 0 HD2 PRO A 66 -3.464 -5.132 2.869 1.00 1.00 H new ATOM 0 HD3 PRO A 66 -2.534 -5.068 4.352 1.00 1.00 H new ATOM 1033 N LEU A 67 -4.382 -1.948 1.471 1.00 1.00 N ATOM 1034 CA LEU A 67 -5.338 -1.224 0.642 1.00 1.00 C ATOM 1035 C LEU A 67 -5.842 0.010 1.380 1.00 1.00 C ATOM 1036 O LEU A 67 -6.064 1.060 0.777 1.00 1.00 O ATOM 1037 CB LEU A 67 -6.519 -2.131 0.289 1.00 1.00 C ATOM 1038 CG LEU A 67 -7.191 -1.617 -0.982 1.00 1.00 C ATOM 1039 CD1 LEU A 67 -6.550 -2.277 -2.204 1.00 1.00 C ATOM 1040 CD2 LEU A 67 -8.679 -1.963 -0.941 1.00 1.00 C ATOM 0 H LEU A 67 -4.658 -2.901 1.709 1.00 1.00 H new ATOM 0 HA LEU A 67 -4.839 -0.912 -0.276 1.00 1.00 H new ATOM 0 HB2 LEU A 67 -6.175 -3.155 0.143 1.00 1.00 H new ATOM 0 HB3 LEU A 67 -7.235 -2.150 1.110 1.00 1.00 H new ATOM 0 HG LEU A 67 -7.067 -0.536 -1.048 1.00 1.00 H new ATOM 0 HD11 LEU A 67 -7.031 -1.909 -3.110 1.00 1.00 H new ATOM 0 HD12 LEU A 67 -5.488 -2.035 -2.233 1.00 1.00 H new ATOM 0 HD13 LEU A 67 -6.674 -3.358 -2.141 1.00 1.00 H new ATOM 0 HD21 LEU A 67 -9.163 -1.598 -1.847 1.00 1.00 H new ATOM 0 HD22 LEU A 67 -8.799 -3.044 -0.876 1.00 1.00 H new ATOM 0 HD23 LEU A 67 -9.138 -1.494 -0.070 1.00 1.00 H new ATOM 1052 N CYS A 68 -6.020 -0.127 2.691 1.00 1.00 N ATOM 1053 CA CYS A 68 -6.497 0.984 3.506 1.00 1.00 C ATOM 1054 C CYS A 68 -5.403 2.029 3.682 1.00 1.00 C ATOM 1055 O CYS A 68 -5.668 3.154 4.099 1.00 1.00 O ATOM 1056 CB CYS A 68 -6.939 0.473 4.880 1.00 1.00 C ATOM 1057 SG CYS A 68 -5.666 0.865 6.105 1.00 1.00 S ATOM 0 H CYS A 68 -5.843 -0.989 3.207 1.00 1.00 H new ATOM 0 HA CYS A 68 -7.345 1.443 2.997 1.00 1.00 H new ATOM 0 HB2 CYS A 68 -7.886 0.932 5.164 1.00 1.00 H new ATOM 0 HB3 CYS A 68 -7.105 -0.604 4.844 1.00 1.00 H new ATOM 0 HG CYS A 68 -5.513 -0.144 6.910 1.00 1.00 H new ATOM 1063 N ARG A 69 -4.170 1.650 3.361 1.00 1.00 N ATOM 1064 CA ARG A 69 -3.045 2.569 3.491 1.00 1.00 C ATOM 1065 C ARG A 69 -2.891 3.408 2.226 1.00 1.00 C ATOM 1066 O ARG A 69 -2.915 4.638 2.283 1.00 1.00 O ATOM 1067 CB ARG A 69 -1.755 1.787 3.750 1.00 1.00 C ATOM 1068 CG ARG A 69 -1.884 1.012 5.063 1.00 1.00 C ATOM 1069 CD ARG A 69 -1.251 1.814 6.205 1.00 1.00 C ATOM 1070 NE ARG A 69 -1.905 3.118 6.341 1.00 1.00 N ATOM 1071 CZ ARG A 69 -1.357 4.242 5.892 1.00 1.00 C ATOM 1072 NH1 ARG A 69 -0.202 4.209 5.287 1.00 1.00 N ATOM 1073 NH2 ARG A 69 -1.975 5.380 6.055 1.00 1.00 N ATOM 0 H ARG A 69 -3.926 0.723 3.013 1.00 1.00 H new ATOM 0 HA ARG A 69 -3.239 3.234 4.333 1.00 1.00 H new ATOM 0 HB2 ARG A 69 -1.562 1.099 2.927 1.00 1.00 H new ATOM 0 HB3 ARG A 69 -0.907 2.470 3.800 1.00 1.00 H new ATOM 0 HG2 ARG A 69 -2.935 0.820 5.280 1.00 1.00 H new ATOM 0 HG3 ARG A 69 -1.395 0.042 4.973 1.00 1.00 H new ATOM 0 HD2 ARG A 69 -1.337 1.258 7.139 1.00 1.00 H new ATOM 0 HD3 ARG A 69 -0.187 1.953 6.014 1.00 1.00 H new ATOM 0 HE ARG A 69 -2.816 3.165 6.798 1.00 1.00 H new ATOM 0 HH11 ARG A 69 0.281 3.320 5.158 1.00 1.00 H new ATOM 0 HH12 ARG A 69 0.218 5.072 4.943 1.00 1.00 H new ATOM 0 HH21 ARG A 69 -2.879 5.407 6.527 1.00 1.00 H new ATOM 0 HH22 ARG A 69 -1.554 6.243 5.710 1.00 1.00 H new ATOM 1087 N ARG A 70 -2.740 2.741 1.087 1.00 1.00 N ATOM 1088 CA ARG A 70 -2.589 3.443 -0.181 1.00 1.00 C ATOM 1089 C ARG A 70 -3.792 4.344 -0.438 1.00 1.00 C ATOM 1090 O ARG A 70 -3.639 5.538 -0.693 1.00 1.00 O ATOM 1091 CB ARG A 70 -2.442 2.440 -1.332 1.00 1.00 C ATOM 1092 CG ARG A 70 -1.391 1.374 -0.991 1.00 1.00 C ATOM 1093 CD ARG A 70 -0.156 2.014 -0.346 1.00 1.00 C ATOM 1094 NE ARG A 70 0.949 1.063 -0.333 1.00 1.00 N ATOM 1095 CZ ARG A 70 0.936 0.006 0.472 1.00 1.00 C ATOM 1096 NH1 ARG A 70 -0.067 -0.181 1.286 1.00 1.00 N ATOM 1097 NH2 ARG A 70 1.926 -0.843 0.449 1.00 1.00 N ATOM 0 H ARG A 70 -2.719 1.724 1.016 1.00 1.00 H new ATOM 0 HA ARG A 70 -1.690 4.057 -0.126 1.00 1.00 H new ATOM 0 HB2 ARG A 70 -3.401 1.962 -1.529 1.00 1.00 H new ATOM 0 HB3 ARG A 70 -2.154 2.964 -2.243 1.00 1.00 H new ATOM 0 HG2 ARG A 70 -1.821 0.637 -0.312 1.00 1.00 H new ATOM 0 HG3 ARG A 70 -1.099 0.842 -1.896 1.00 1.00 H new ATOM 0 HD2 ARG A 70 0.130 2.909 -0.898 1.00 1.00 H new ATOM 0 HD3 ARG A 70 -0.388 2.328 0.672 1.00 1.00 H new ATOM 0 HE ARG A 70 1.746 1.212 -0.952 1.00 1.00 H new ATOM 0 HH11 ARG A 70 -0.840 0.484 1.304 1.00 1.00 H new ATOM 0 HH12 ARG A 70 -0.078 -0.992 1.904 1.00 1.00 H new ATOM 0 HH21 ARG A 70 2.710 -0.695 -0.187 1.00 1.00 H new ATOM 0 HH22 ARG A 70 1.916 -1.655 1.067 1.00 1.00 H new ATOM 1111 N LEU A 71 -4.989 3.772 -0.368 1.00 1.00 N ATOM 1112 CA LEU A 71 -6.195 4.554 -0.596 1.00 1.00 C ATOM 1113 C LEU A 71 -6.238 5.740 0.360 1.00 1.00 C ATOM 1114 O LEU A 71 -6.357 6.887 -0.067 1.00 1.00 O ATOM 1115 CB LEU A 71 -7.439 3.681 -0.405 1.00 1.00 C ATOM 1116 CG LEU A 71 -7.441 2.542 -1.434 1.00 1.00 C ATOM 1117 CD1 LEU A 71 -8.628 1.618 -1.164 1.00 1.00 C ATOM 1118 CD2 LEU A 71 -7.560 3.111 -2.856 1.00 1.00 C ATOM 0 H LEU A 71 -5.148 2.786 -0.159 1.00 1.00 H new ATOM 0 HA LEU A 71 -6.182 4.925 -1.621 1.00 1.00 H new ATOM 0 HB2 LEU A 71 -7.454 3.271 0.605 1.00 1.00 H new ATOM 0 HB3 LEU A 71 -8.339 4.286 -0.517 1.00 1.00 H new ATOM 0 HG LEU A 71 -6.507 1.986 -1.348 1.00 1.00 H new ATOM 0 HD11 LEU A 71 -8.632 0.808 -1.893 1.00 1.00 H new ATOM 0 HD12 LEU A 71 -8.544 1.202 -0.160 1.00 1.00 H new ATOM 0 HD13 LEU A 71 -9.556 2.184 -1.246 1.00 1.00 H new ATOM 0 HD21 LEU A 71 -7.560 2.293 -3.576 1.00 1.00 H new ATOM 0 HD22 LEU A 71 -8.489 3.674 -2.946 1.00 1.00 H new ATOM 0 HD23 LEU A 71 -6.715 3.770 -3.056 1.00 1.00 H new ATOM 1130 N ASN A 72 -6.131 5.459 1.653 1.00 1.00 N ATOM 1131 CA ASN A 72 -6.156 6.518 2.657 1.00 1.00 C ATOM 1132 C ASN A 72 -5.085 7.568 2.364 1.00 1.00 C ATOM 1133 O ASN A 72 -5.246 8.738 2.711 1.00 1.00 O ATOM 1134 CB ASN A 72 -5.923 5.930 4.048 1.00 1.00 C ATOM 1135 CG ASN A 72 -5.887 7.048 5.085 1.00 1.00 C ATOM 1136 OD1 ASN A 72 -4.858 7.700 5.260 1.00 1.00 O ATOM 1137 ND2 ASN A 72 -6.957 7.313 5.782 1.00 1.00 N ATOM 0 H ASN A 72 -6.027 4.517 2.029 1.00 1.00 H new ATOM 0 HA ASN A 72 -7.136 6.994 2.622 1.00 1.00 H new ATOM 0 HB2 ASN A 72 -6.716 5.222 4.291 1.00 1.00 H new ATOM 0 HB3 ASN A 72 -4.985 5.376 4.065 1.00 1.00 H new ATOM 0 HD21 ASN A 72 -6.942 8.062 6.474 1.00 1.00 H new ATOM 0 HD22 ASN A 72 -7.809 6.771 5.635 1.00 1.00 H new ATOM 1144 N THR A 73 -3.997 7.147 1.726 1.00 1.00 N ATOM 1145 CA THR A 73 -2.916 8.074 1.402 1.00 1.00 C ATOM 1146 C THR A 73 -3.323 8.984 0.249 1.00 1.00 C ATOM 1147 O THR A 73 -3.402 10.202 0.406 1.00 1.00 O ATOM 1148 CB THR A 73 -1.649 7.302 1.024 1.00 1.00 C ATOM 1149 OG1 THR A 73 -1.334 6.377 2.055 1.00 1.00 O ATOM 1150 CG2 THR A 73 -0.488 8.280 0.844 1.00 1.00 C ATOM 0 H THR A 73 -3.840 6.185 1.426 1.00 1.00 H new ATOM 0 HA THR A 73 -2.714 8.684 2.282 1.00 1.00 H new ATOM 0 HB THR A 73 -1.817 6.764 0.091 1.00 1.00 H new ATOM 0 HG1 THR A 73 -1.806 5.534 1.894 1.00 1.00 H new ATOM 0 HG21 THR A 73 0.413 7.729 0.575 1.00 1.00 H new ATOM 0 HG22 THR A 73 -0.729 8.990 0.053 1.00 1.00 H new ATOM 0 HG23 THR A 73 -0.319 8.819 1.776 1.00 1.00 H new ATOM 1158 N LEU A 74 -3.581 8.386 -0.909 1.00 1.00 N ATOM 1159 CA LEU A 74 -3.979 9.158 -2.078 1.00 1.00 C ATOM 1160 C LEU A 74 -5.264 9.931 -1.794 1.00 1.00 C ATOM 1161 O LEU A 74 -5.389 11.100 -2.160 1.00 1.00 O ATOM 1162 CB LEU A 74 -4.195 8.225 -3.274 1.00 1.00 C ATOM 1163 CG LEU A 74 -2.932 8.177 -4.138 1.00 1.00 C ATOM 1164 CD1 LEU A 74 -3.078 7.077 -5.193 1.00 1.00 C ATOM 1165 CD2 LEU A 74 -2.724 9.522 -4.846 1.00 1.00 C ATOM 0 H LEU A 74 -3.522 7.379 -1.062 1.00 1.00 H new ATOM 0 HA LEU A 74 -3.184 9.867 -2.311 1.00 1.00 H new ATOM 0 HB2 LEU A 74 -4.444 7.223 -2.924 1.00 1.00 H new ATOM 0 HB3 LEU A 74 -5.039 8.573 -3.869 1.00 1.00 H new ATOM 0 HG LEU A 74 -2.075 7.970 -3.498 1.00 1.00 H new ATOM 0 HD11 LEU A 74 -2.179 7.042 -5.809 1.00 1.00 H new ATOM 0 HD12 LEU A 74 -3.217 6.115 -4.699 1.00 1.00 H new ATOM 0 HD13 LEU A 74 -3.942 7.290 -5.823 1.00 1.00 H new ATOM 0 HD21 LEU A 74 -1.823 9.476 -5.457 1.00 1.00 H new ATOM 0 HD22 LEU A 74 -3.583 9.735 -5.482 1.00 1.00 H new ATOM 0 HD23 LEU A 74 -2.618 10.312 -4.103 1.00 1.00 H new ATOM 1177 N ASN A 75 -6.215 9.273 -1.138 1.00 1.00 N ATOM 1178 CA ASN A 75 -7.485 9.913 -0.809 1.00 1.00 C ATOM 1179 C ASN A 75 -7.244 11.315 -0.259 1.00 1.00 C ATOM 1180 O ASN A 75 -8.100 12.192 -0.371 1.00 1.00 O ATOM 1181 CB ASN A 75 -8.239 9.079 0.230 1.00 1.00 C ATOM 1182 CG ASN A 75 -8.771 7.802 -0.404 1.00 1.00 C ATOM 1183 OD1 ASN A 75 -8.560 7.558 -1.592 1.00 1.00 O ATOM 1184 ND2 ASN A 75 -9.449 6.961 0.328 1.00 1.00 N ATOM 0 H ASN A 75 -6.132 8.305 -0.826 1.00 1.00 H new ATOM 0 HA ASN A 75 -8.083 9.984 -1.718 1.00 1.00 H new ATOM 0 HB2 ASN A 75 -7.576 8.833 1.059 1.00 1.00 H new ATOM 0 HB3 ASN A 75 -9.064 9.659 0.643 1.00 1.00 H new ATOM 0 HD21 ASN A 75 -9.806 6.099 -0.084 1.00 1.00 H new ATOM 0 HD22 ASN A 75 -9.622 7.166 1.312 1.00 1.00 H new ATOM 1191 N LYS A 76 -6.075 11.514 0.340 1.00 1.00 N ATOM 1192 CA LYS A 76 -5.728 12.811 0.909 1.00 1.00 C ATOM 1193 C LYS A 76 -5.106 13.712 -0.152 1.00 1.00 C ATOM 1194 O LYS A 76 -5.201 14.938 -0.072 1.00 1.00 O ATOM 1195 CB LYS A 76 -4.740 12.620 2.064 1.00 1.00 C ATOM 1196 CG LYS A 76 -4.968 13.700 3.128 1.00 1.00 C ATOM 1197 CD LYS A 76 -6.038 13.232 4.123 1.00 1.00 C ATOM 1198 CE LYS A 76 -5.498 12.087 4.991 1.00 1.00 C ATOM 1199 NZ LYS A 76 -6.261 10.841 4.697 1.00 1.00 N ATOM 0 H LYS A 76 -5.356 10.798 0.444 1.00 1.00 H new ATOM 0 HA LYS A 76 -6.638 13.283 1.280 1.00 1.00 H new ATOM 0 HB2 LYS A 76 -4.868 11.631 2.504 1.00 1.00 H new ATOM 0 HB3 LYS A 76 -3.717 12.674 1.692 1.00 1.00 H new ATOM 0 HG2 LYS A 76 -4.036 13.908 3.653 1.00 1.00 H new ATOM 0 HG3 LYS A 76 -5.281 14.630 2.654 1.00 1.00 H new ATOM 0 HD2 LYS A 76 -6.343 14.065 4.757 1.00 1.00 H new ATOM 0 HD3 LYS A 76 -6.925 12.900 3.583 1.00 1.00 H new ATOM 0 HE2 LYS A 76 -4.438 11.933 4.791 1.00 1.00 H new ATOM 0 HE3 LYS A 76 -5.589 12.342 6.047 1.00 1.00 H new ATOM 0 HZ1 LYS A 76 -6.335 10.267 5.561 1.00 1.00 H new ATOM 0 HZ2 LYS A 76 -7.214 11.088 4.363 1.00 1.00 H new ATOM 0 HZ3 LYS A 76 -5.767 10.297 3.961 1.00 1.00 H new ATOM 1213 N CYS A 77 -4.471 13.098 -1.144 1.00 1.00 N ATOM 1214 CA CYS A 77 -3.836 13.855 -2.217 1.00 1.00 C ATOM 1215 C CYS A 77 -4.822 14.103 -3.354 1.00 1.00 C ATOM 1216 O CYS A 77 -4.627 15.003 -4.171 1.00 1.00 O ATOM 1217 CB CYS A 77 -2.623 13.087 -2.749 1.00 1.00 C ATOM 1218 SG CYS A 77 -1.981 13.922 -4.222 1.00 1.00 S ATOM 0 H CYS A 77 -4.382 12.085 -1.228 1.00 1.00 H new ATOM 0 HA CYS A 77 -3.512 14.816 -1.817 1.00 1.00 H new ATOM 0 HB2 CYS A 77 -1.850 13.031 -1.983 1.00 1.00 H new ATOM 0 HB3 CYS A 77 -2.905 12.063 -2.992 1.00 1.00 H new ATOM 0 HG CYS A 77 -2.904 14.688 -4.724 1.00 1.00 H new ATOM 1224 N ALA A 78 -5.879 13.300 -3.399 1.00 1.00 N ATOM 1225 CA ALA A 78 -6.889 13.442 -4.442 1.00 1.00 C ATOM 1226 C ALA A 78 -7.635 14.764 -4.291 1.00 1.00 C ATOM 1227 O ALA A 78 -8.344 15.195 -5.201 1.00 1.00 O ATOM 1228 CB ALA A 78 -7.883 12.282 -4.366 1.00 1.00 C ATOM 0 H ALA A 78 -6.059 12.550 -2.732 1.00 1.00 H new ATOM 0 HA ALA A 78 -6.388 13.430 -5.410 1.00 1.00 H new ATOM 0 HB1 ALA A 78 -8.634 12.395 -5.148 1.00 1.00 H new ATOM 0 HB2 ALA A 78 -7.353 11.339 -4.505 1.00 1.00 H new ATOM 0 HB3 ALA A 78 -8.371 12.284 -3.391 1.00 1.00 H new