USER MOD reduce.3.24.130724 H: found=0, std=0, add=287, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 289 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 36 CYS SG : rot 180:sc= 0.786 USER MOD Set 1.2: A 40 ASN : amide:sc= 0.967 X(o=1.7,f=1.5) USER MOD Set 1.3: A 47 CYS SG : rot 140:sc= -0.0241 USER MOD Single : A 27 LYS NZ :NH3+ 163:sc= -0.0631 (180deg=-0.405) USER MOD Single : A 30 LYS NZ :NH3+ 139:sc= -0.0414 (180deg=-0.274) USER MOD Single : A 35 THR OG1 : rot 76:sc= 1.21 USER MOD Single : A 42 GLN : amide:sc= -0.958 K(o=-0.96,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -164:sc= -0.0425 (180deg=-0.359) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -135:sc= -0.0332 (180deg=-0.34) USER MOD Single : A 57 CYS SG : rot 80:sc= 0.589 USER MOD Single : A 58 MET CE :methyl -148:sc= 0 (180deg=-1.04) USER MOD Single : A 59 LYS NZ :NH3+ 165:sc= -0.0338 (180deg=-0.264) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 399 N LYS A 27 -1.864 2.033 -5.496 1.00 0.00 N ATOM 400 CA LYS A 27 -2.651 1.302 -6.482 1.00 0.00 C ATOM 401 C LYS A 27 -2.915 -0.139 -6.031 1.00 0.00 C ATOM 402 O LYS A 27 -4.059 -0.591 -6.059 1.00 0.00 O ATOM 403 CB LYS A 27 -1.955 1.317 -7.847 1.00 0.00 C ATOM 404 CG LYS A 27 -1.689 2.718 -8.375 1.00 0.00 C ATOM 405 CD LYS A 27 -1.032 2.686 -9.747 1.00 0.00 C ATOM 406 CE LYS A 27 -1.993 2.190 -10.815 1.00 0.00 C ATOM 407 NZ LYS A 27 -3.178 3.082 -10.955 1.00 0.00 N ATOM 0 HA LYS A 27 -3.614 1.805 -6.575 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.009 0.780 -7.770 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.571 0.777 -8.566 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.627 3.269 -8.434 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.047 3.255 -7.676 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.682 3.685 -10.007 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.155 2.039 -9.716 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.472 2.126 -11.770 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.325 1.182 -10.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.653 2.888 -11.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.839 2.906 -10.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.870 4.075 -10.932 1.00 0.00 H new ATOM 421 N PRO A 28 -1.870 -0.888 -5.608 1.00 0.00 N ATOM 422 CA PRO A 28 -2.042 -2.274 -5.153 1.00 0.00 C ATOM 423 C PRO A 28 -3.015 -2.373 -3.982 1.00 0.00 C ATOM 424 O PRO A 28 -3.797 -3.320 -3.887 1.00 0.00 O ATOM 425 CB PRO A 28 -0.633 -2.693 -4.715 1.00 0.00 C ATOM 426 CG PRO A 28 0.284 -1.763 -5.427 1.00 0.00 C ATOM 427 CD PRO A 28 -0.458 -0.462 -5.539 1.00 0.00 C ATOM 0 HA PRO A 28 -2.460 -2.910 -5.934 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -0.515 -2.613 -3.634 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -0.429 -3.730 -4.982 1.00 0.00 H new ATOM 0 HG2 PRO A 28 1.216 -1.635 -4.877 1.00 0.00 H new ATOM 0 HG3 PRO A 28 0.546 -2.150 -6.412 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -0.273 0.183 -4.680 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -0.161 0.096 -6.427 1.00 0.00 H new ATOM 435 N GLU A 29 -2.964 -1.381 -3.098 1.00 0.00 N ATOM 436 CA GLU A 29 -3.834 -1.342 -1.934 1.00 0.00 C ATOM 437 C GLU A 29 -5.297 -1.245 -2.353 1.00 0.00 C ATOM 438 O GLU A 29 -6.185 -1.753 -1.668 1.00 0.00 O ATOM 439 CB GLU A 29 -3.456 -0.154 -1.052 1.00 0.00 C ATOM 440 CG GLU A 29 -2.202 -0.385 -0.224 1.00 0.00 C ATOM 441 CD GLU A 29 -0.984 -0.679 -1.077 1.00 0.00 C ATOM 442 OE1 GLU A 29 -0.418 0.275 -1.651 1.00 0.00 O ATOM 443 OE2 GLU A 29 -0.594 -1.862 -1.167 1.00 0.00 O ATOM 0 H GLU A 29 -2.324 -0.590 -3.169 1.00 0.00 H new ATOM 0 HA GLU A 29 -3.705 -2.266 -1.370 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -3.309 0.723 -1.682 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.287 0.070 -0.383 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.008 0.496 0.388 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.371 -1.217 0.460 1.00 0.00 H new ATOM 450 N LYS A 30 -5.540 -0.590 -3.485 1.00 0.00 N ATOM 451 CA LYS A 30 -6.893 -0.430 -4.002 1.00 0.00 C ATOM 452 C LYS A 30 -7.448 -1.768 -4.479 1.00 0.00 C ATOM 453 O LYS A 30 -8.636 -2.053 -4.319 1.00 0.00 O ATOM 454 CB LYS A 30 -6.905 0.585 -5.149 1.00 0.00 C ATOM 455 CG LYS A 30 -8.279 0.798 -5.768 1.00 0.00 C ATOM 456 CD LYS A 30 -9.258 1.397 -4.769 1.00 0.00 C ATOM 457 CE LYS A 30 -10.622 1.634 -5.397 1.00 0.00 C ATOM 458 NZ LYS A 30 -11.214 0.378 -5.933 1.00 0.00 N ATOM 0 H LYS A 30 -4.816 -0.162 -4.061 1.00 0.00 H new ATOM 0 HA LYS A 30 -7.527 -0.060 -3.196 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.531 1.540 -4.780 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -6.216 0.251 -5.924 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -8.191 1.457 -6.632 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.666 -0.154 -6.131 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -9.361 0.729 -3.914 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.862 2.339 -4.391 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -11.294 2.063 -4.654 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -10.529 2.363 -6.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -12.230 0.351 -5.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -11.083 0.345 -6.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -10.743 -0.441 -5.498 1.00 0.00 H new ATOM 472 N GLU A 31 -6.577 -2.587 -5.064 1.00 0.00 N ATOM 473 CA GLU A 31 -6.975 -3.899 -5.564 1.00 0.00 C ATOM 474 C GLU A 31 -7.255 -4.854 -4.408 1.00 0.00 C ATOM 475 O GLU A 31 -8.199 -5.643 -4.458 1.00 0.00 O ATOM 476 CB GLU A 31 -5.885 -4.476 -6.469 1.00 0.00 C ATOM 477 CG GLU A 31 -6.268 -5.794 -7.120 1.00 0.00 C ATOM 478 CD GLU A 31 -7.464 -5.664 -8.043 1.00 0.00 C ATOM 479 OE1 GLU A 31 -7.263 -5.346 -9.234 1.00 0.00 O ATOM 480 OE2 GLU A 31 -8.602 -5.879 -7.574 1.00 0.00 O ATOM 0 H GLU A 31 -5.591 -2.365 -5.203 1.00 0.00 H new ATOM 0 HA GLU A 31 -7.890 -3.780 -6.145 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.650 -3.751 -7.248 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.977 -4.620 -5.883 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.418 -6.176 -7.685 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.491 -6.527 -6.344 1.00 0.00 H new ATOM 487 N GLU A 32 -6.429 -4.778 -3.369 1.00 0.00 N ATOM 488 CA GLU A 32 -6.589 -5.634 -2.199 1.00 0.00 C ATOM 489 C GLU A 32 -7.902 -5.333 -1.481 1.00 0.00 C ATOM 490 O GLU A 32 -8.665 -6.242 -1.154 1.00 0.00 O ATOM 491 CB GLU A 32 -5.414 -5.445 -1.236 1.00 0.00 C ATOM 492 CG GLU A 32 -4.076 -5.866 -1.819 1.00 0.00 C ATOM 493 CD GLU A 32 -4.006 -7.352 -2.111 1.00 0.00 C ATOM 494 OE1 GLU A 32 -4.459 -7.765 -3.200 1.00 0.00 O ATOM 495 OE2 GLU A 32 -3.498 -8.103 -1.252 1.00 0.00 O ATOM 0 H GLU A 32 -5.642 -4.132 -3.314 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.608 -6.670 -2.538 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.360 -4.396 -0.944 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.602 -6.019 -0.329 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.894 -5.310 -2.739 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.281 -5.599 -1.123 1.00 0.00 H new ATOM 502 N ARG A 33 -8.157 -4.051 -1.241 1.00 0.00 N ATOM 503 CA ARG A 33 -9.375 -3.625 -0.561 1.00 0.00 C ATOM 504 C ARG A 33 -10.615 -4.005 -1.363 1.00 0.00 C ATOM 505 O ARG A 33 -11.568 -4.564 -0.822 1.00 0.00 O ATOM 506 CB ARG A 33 -9.345 -2.113 -0.325 1.00 0.00 C ATOM 507 CG ARG A 33 -10.595 -1.576 0.357 1.00 0.00 C ATOM 508 CD ARG A 33 -10.523 -0.068 0.541 1.00 0.00 C ATOM 509 NE ARG A 33 -11.758 0.474 1.104 1.00 0.00 N ATOM 510 CZ ARG A 33 -11.863 1.700 1.607 1.00 0.00 C ATOM 511 NH1 ARG A 33 -10.809 2.504 1.632 1.00 0.00 N ATOM 512 NH2 ARG A 33 -13.022 2.122 2.092 1.00 0.00 N ATOM 0 H ARG A 33 -7.535 -3.288 -1.508 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.423 -4.137 0.400 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -8.475 -1.866 0.284 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -9.218 -1.607 -1.282 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -11.473 -1.830 -0.237 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -10.717 -2.057 1.328 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.687 0.178 1.196 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -10.324 0.406 -0.420 1.00 0.00 H new ATOM 0 HE ARG A 33 -12.586 -0.122 1.111 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -9.913 2.183 1.264 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -10.894 3.444 2.019 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -13.835 1.506 2.080 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -13.101 3.063 2.478 1.00 0.00 H new ATOM 526 N ASP A 34 -10.597 -3.694 -2.657 1.00 0.00 N ATOM 527 CA ASP A 34 -11.722 -4.001 -3.534 1.00 0.00 C ATOM 528 C ASP A 34 -12.051 -5.491 -3.502 1.00 0.00 C ATOM 529 O ASP A 34 -13.209 -5.878 -3.335 1.00 0.00 O ATOM 530 CB ASP A 34 -11.411 -3.565 -4.967 1.00 0.00 C ATOM 531 CG ASP A 34 -12.571 -3.806 -5.912 1.00 0.00 C ATOM 532 OD1 ASP A 34 -13.463 -2.936 -5.991 1.00 0.00 O ATOM 533 OD2 ASP A 34 -12.588 -4.867 -6.571 1.00 0.00 O ATOM 0 H ASP A 34 -9.816 -3.230 -3.120 1.00 0.00 H new ATOM 0 HA ASP A 34 -12.591 -3.450 -3.174 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -11.155 -2.505 -4.974 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -10.536 -4.106 -5.326 1.00 0.00 H new ATOM 538 N THR A 35 -11.025 -6.323 -3.661 1.00 0.00 N ATOM 539 CA THR A 35 -11.205 -7.771 -3.649 1.00 0.00 C ATOM 540 C THR A 35 -11.768 -8.240 -2.310 1.00 0.00 C ATOM 541 O THR A 35 -12.586 -9.156 -2.258 1.00 0.00 O ATOM 542 CB THR A 35 -9.879 -8.503 -3.927 1.00 0.00 C ATOM 543 OG1 THR A 35 -9.315 -8.042 -5.161 1.00 0.00 O ATOM 544 CG2 THR A 35 -10.091 -10.009 -3.996 1.00 0.00 C ATOM 0 H THR A 35 -10.061 -6.019 -3.800 1.00 0.00 H new ATOM 0 HA THR A 35 -11.913 -8.012 -4.441 1.00 0.00 H new ATOM 0 HB THR A 35 -9.194 -8.286 -3.107 1.00 0.00 H new ATOM 0 HG1 THR A 35 -8.912 -7.159 -5.027 1.00 0.00 H new ATOM 0 HG21 THR A 35 -9.139 -10.502 -4.193 1.00 0.00 H new ATOM 0 HG22 THR A 35 -10.493 -10.364 -3.047 1.00 0.00 H new ATOM 0 HG23 THR A 35 -10.793 -10.241 -4.797 1.00 0.00 H new ATOM 552 N CYS A 36 -11.322 -7.606 -1.231 1.00 0.00 N ATOM 553 CA CYS A 36 -11.783 -7.956 0.108 1.00 0.00 C ATOM 554 C CYS A 36 -13.283 -7.711 0.248 1.00 0.00 C ATOM 555 O CYS A 36 -14.004 -8.527 0.824 1.00 0.00 O ATOM 556 CB CYS A 36 -11.025 -7.144 1.160 1.00 0.00 C ATOM 557 SG CYS A 36 -11.595 -7.412 2.855 1.00 0.00 S ATOM 0 H CYS A 36 -10.641 -6.847 -1.257 1.00 0.00 H new ATOM 0 HA CYS A 36 -11.588 -9.017 0.266 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -9.966 -7.393 1.101 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -11.117 -6.085 0.921 1.00 0.00 H new ATOM 0 HG CYS A 36 -10.891 -6.683 3.670 1.00 0.00 H new ATOM 563 N ILE A 37 -13.743 -6.585 -0.285 1.00 0.00 N ATOM 564 CA ILE A 37 -15.155 -6.223 -0.218 1.00 0.00 C ATOM 565 C ILE A 37 -15.997 -7.093 -1.149 1.00 0.00 C ATOM 566 O ILE A 37 -17.169 -7.354 -0.876 1.00 0.00 O ATOM 567 CB ILE A 37 -15.365 -4.736 -0.575 1.00 0.00 C ATOM 568 CG1 ILE A 37 -14.566 -3.843 0.379 1.00 0.00 C ATOM 569 CG2 ILE A 37 -16.845 -4.381 -0.528 1.00 0.00 C ATOM 570 CD1 ILE A 37 -14.612 -2.372 0.021 1.00 0.00 C ATOM 0 H ILE A 37 -13.157 -5.905 -0.770 1.00 0.00 H new ATOM 0 HA ILE A 37 -15.480 -6.392 0.809 1.00 0.00 H new ATOM 0 HB ILE A 37 -15.005 -4.567 -1.590 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -14.950 -3.973 1.391 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -13.527 -4.173 0.387 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -16.975 -3.329 -0.782 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -17.390 -4.997 -1.243 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -17.231 -4.562 0.475 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -14.024 -1.804 0.741 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -14.201 -2.228 -0.978 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -15.645 -2.025 0.042 1.00 0.00 H new ATOM 582 N LEU A 38 -15.396 -7.544 -2.247 1.00 0.00 N ATOM 583 CA LEU A 38 -16.102 -8.379 -3.215 1.00 0.00 C ATOM 584 C LEU A 38 -16.274 -9.806 -2.700 1.00 0.00 C ATOM 585 O LEU A 38 -17.287 -10.452 -2.969 1.00 0.00 O ATOM 586 CB LEU A 38 -15.356 -8.397 -4.551 1.00 0.00 C ATOM 587 CG LEU A 38 -15.433 -7.099 -5.359 1.00 0.00 C ATOM 588 CD1 LEU A 38 -14.594 -7.212 -6.621 1.00 0.00 C ATOM 589 CD2 LEU A 38 -16.877 -6.770 -5.709 1.00 0.00 C ATOM 0 H LEU A 38 -14.425 -7.346 -2.488 1.00 0.00 H new ATOM 0 HA LEU A 38 -17.092 -7.947 -3.362 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -14.307 -8.626 -4.360 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -15.754 -9.209 -5.160 1.00 0.00 H new ATOM 0 HG LEU A 38 -15.035 -6.289 -4.748 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -14.658 -6.282 -7.185 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -13.555 -7.402 -6.351 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -14.966 -8.034 -7.233 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -16.910 -5.844 -6.283 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -17.301 -7.580 -6.302 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -17.455 -6.650 -4.793 1.00 0.00 H new ATOM 601 N PHE A 39 -15.284 -10.294 -1.959 1.00 0.00 N ATOM 602 CA PHE A 39 -15.332 -11.649 -1.418 1.00 0.00 C ATOM 603 C PHE A 39 -15.890 -11.662 0.003 1.00 0.00 C ATOM 604 O PHE A 39 -16.962 -12.214 0.251 1.00 0.00 O ATOM 605 CB PHE A 39 -13.939 -12.282 -1.442 1.00 0.00 C ATOM 606 CG PHE A 39 -13.510 -12.734 -2.809 1.00 0.00 C ATOM 607 CD1 PHE A 39 -13.233 -11.812 -3.806 1.00 0.00 C ATOM 608 CD2 PHE A 39 -13.379 -14.084 -3.097 1.00 0.00 C ATOM 609 CE1 PHE A 39 -12.836 -12.227 -5.064 1.00 0.00 C ATOM 610 CE2 PHE A 39 -12.983 -14.504 -4.352 1.00 0.00 C ATOM 611 CZ PHE A 39 -12.711 -13.575 -5.336 1.00 0.00 C ATOM 0 H PHE A 39 -14.440 -9.773 -1.720 1.00 0.00 H new ATOM 0 HA PHE A 39 -16.001 -12.235 -2.048 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -13.215 -11.562 -1.062 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -13.925 -13.136 -0.765 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -13.328 -10.757 -3.598 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -13.589 -14.816 -2.331 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -12.624 -11.498 -5.832 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -12.886 -15.559 -4.563 1.00 0.00 H new ATOM 0 HZ PHE A 39 -12.401 -13.902 -6.317 1.00 0.00 H new ATOM 621 N ASN A 40 -15.160 -11.052 0.931 1.00 0.00 N ATOM 622 CA ASN A 40 -15.587 -11.003 2.325 1.00 0.00 C ATOM 623 C ASN A 40 -16.845 -10.155 2.479 1.00 0.00 C ATOM 624 O ASN A 40 -17.850 -10.610 3.025 1.00 0.00 O ATOM 625 CB ASN A 40 -14.467 -10.443 3.203 1.00 0.00 C ATOM 626 CG ASN A 40 -13.183 -11.239 3.075 1.00 0.00 C ATOM 627 OD1 ASN A 40 -13.208 -12.445 2.830 1.00 0.00 O ATOM 628 ND2 ASN A 40 -12.051 -10.564 3.238 1.00 0.00 N ATOM 0 H ASN A 40 -14.272 -10.586 0.744 1.00 0.00 H new ATOM 0 HA ASN A 40 -15.816 -12.019 2.646 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -14.277 -9.405 2.928 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -14.790 -10.443 4.244 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -11.155 -11.045 3.161 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -12.078 -9.565 3.440 1.00 0.00 H new ATOM 635 N GLY A 41 -16.780 -8.919 1.993 1.00 0.00 N ATOM 636 CA GLY A 41 -17.920 -8.025 2.081 1.00 0.00 C ATOM 637 C GLY A 41 -17.592 -6.731 2.797 1.00 0.00 C ATOM 638 O GLY A 41 -16.514 -6.588 3.376 1.00 0.00 O ATOM 0 H GLY A 41 -15.958 -8.521 1.540 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -18.278 -7.799 1.077 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -18.733 -8.529 2.604 1.00 0.00 H new ATOM 642 N GLN A 42 -18.522 -5.782 2.753 1.00 0.00 N ATOM 643 CA GLN A 42 -18.331 -4.492 3.404 1.00 0.00 C ATOM 644 C GLN A 42 -18.801 -4.546 4.854 1.00 0.00 C ATOM 645 O GLN A 42 -18.593 -3.606 5.622 1.00 0.00 O ATOM 646 CB GLN A 42 -19.088 -3.397 2.647 1.00 0.00 C ATOM 647 CG GLN A 42 -20.582 -3.651 2.538 1.00 0.00 C ATOM 648 CD GLN A 42 -21.305 -2.568 1.758 1.00 0.00 C ATOM 649 OE1 GLN A 42 -22.313 -2.829 1.101 1.00 0.00 O ATOM 650 NE2 GLN A 42 -20.793 -1.344 1.826 1.00 0.00 N ATOM 0 H GLN A 42 -19.416 -5.883 2.273 1.00 0.00 H new ATOM 0 HA GLN A 42 -17.267 -4.258 3.393 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -18.926 -2.443 3.148 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -18.670 -3.305 1.645 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -20.748 -4.614 2.055 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -21.009 -3.719 3.539 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -19.956 -1.172 2.383 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -21.237 -0.577 1.322 1.00 0.00 H new ATOM 659 N ASP A 43 -19.437 -5.655 5.218 1.00 0.00 N ATOM 660 CA ASP A 43 -19.935 -5.844 6.575 1.00 0.00 C ATOM 661 C ASP A 43 -18.874 -6.505 7.449 1.00 0.00 C ATOM 662 O ASP A 43 -18.996 -6.541 8.674 1.00 0.00 O ATOM 663 CB ASP A 43 -21.207 -6.693 6.558 1.00 0.00 C ATOM 664 CG ASP A 43 -21.758 -6.946 7.948 1.00 0.00 C ATOM 665 OD1 ASP A 43 -22.369 -6.020 8.522 1.00 0.00 O ATOM 666 OD2 ASP A 43 -21.578 -8.070 8.462 1.00 0.00 O ATOM 0 H ASP A 43 -19.620 -6.438 4.590 1.00 0.00 H new ATOM 0 HA ASP A 43 -20.169 -4.866 6.995 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -21.965 -6.192 5.956 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -20.996 -7.647 6.076 1.00 0.00 H new ATOM 719 N CYS A 47 -11.692 -8.067 8.679 1.00 0.00 N ATOM 720 CA CYS A 47 -10.797 -7.759 7.567 1.00 0.00 C ATOM 721 C CYS A 47 -10.734 -6.255 7.315 1.00 0.00 C ATOM 722 O CYS A 47 -10.426 -5.813 6.208 1.00 0.00 O ATOM 723 CB CYS A 47 -11.262 -8.476 6.298 1.00 0.00 C ATOM 724 SG CYS A 47 -11.273 -10.279 6.430 1.00 0.00 S ATOM 0 HA CYS A 47 -9.799 -8.108 7.833 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -12.267 -8.135 6.048 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -10.613 -8.187 5.472 1.00 0.00 H new ATOM 0 HG CYS A 47 -12.330 -10.751 5.839 1.00 0.00 H new ATOM 730 N LYS A 48 -11.019 -5.475 8.353 1.00 0.00 N ATOM 731 CA LYS A 48 -10.999 -4.018 8.246 1.00 0.00 C ATOM 732 C LYS A 48 -9.585 -3.504 7.993 1.00 0.00 C ATOM 733 O LYS A 48 -9.391 -2.328 7.697 1.00 0.00 O ATOM 734 CB LYS A 48 -11.553 -3.385 9.523 1.00 0.00 C ATOM 735 CG LYS A 48 -12.267 -2.064 9.291 1.00 0.00 C ATOM 736 CD LYS A 48 -13.630 -2.277 8.653 1.00 0.00 C ATOM 737 CE LYS A 48 -14.369 -0.962 8.468 1.00 0.00 C ATOM 738 NZ LYS A 48 -15.739 -1.167 7.922 1.00 0.00 N ATOM 0 H LYS A 48 -11.267 -5.826 9.278 1.00 0.00 H new ATOM 0 HA LYS A 48 -11.627 -3.737 7.400 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -12.245 -4.084 9.994 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.734 -3.227 10.224 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -12.385 -1.541 10.240 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -11.658 -1.427 8.649 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -13.508 -2.766 7.687 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -14.224 -2.945 9.276 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -14.433 -0.444 9.425 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -13.802 -0.319 7.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -16.210 -0.246 7.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -15.677 -1.638 6.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -16.288 -1.760 8.577 1.00 0.00 H new ATOM 752 N GLU A 49 -8.602 -4.392 8.115 1.00 0.00 N ATOM 753 CA GLU A 49 -7.205 -4.027 7.905 1.00 0.00 C ATOM 754 C GLU A 49 -6.997 -3.394 6.531 1.00 0.00 C ATOM 755 O GLU A 49 -6.274 -2.405 6.394 1.00 0.00 O ATOM 756 CB GLU A 49 -6.308 -5.258 8.051 1.00 0.00 C ATOM 757 CG GLU A 49 -4.828 -4.963 7.860 1.00 0.00 C ATOM 758 CD GLU A 49 -4.310 -3.927 8.839 1.00 0.00 C ATOM 759 OE1 GLU A 49 -3.925 -4.314 9.963 1.00 0.00 O ATOM 760 OE2 GLU A 49 -4.288 -2.731 8.482 1.00 0.00 O ATOM 0 H GLU A 49 -8.748 -5.372 8.359 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.935 -3.292 8.663 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -6.458 -5.691 9.040 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.616 -6.009 7.324 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.259 -5.885 7.978 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.659 -4.612 6.842 1.00 0.00 H new ATOM 767 N PHE A 50 -7.636 -3.965 5.517 1.00 0.00 N ATOM 768 CA PHE A 50 -7.516 -3.457 4.154 1.00 0.00 C ATOM 769 C PHE A 50 -8.132 -2.068 4.027 1.00 0.00 C ATOM 770 O PHE A 50 -7.523 -1.160 3.460 1.00 0.00 O ATOM 771 CB PHE A 50 -8.187 -4.415 3.170 1.00 0.00 C ATOM 772 CG PHE A 50 -7.534 -5.766 3.112 1.00 0.00 C ATOM 773 CD1 PHE A 50 -6.485 -6.005 2.239 1.00 0.00 C ATOM 774 CD2 PHE A 50 -7.970 -6.797 3.928 1.00 0.00 C ATOM 775 CE1 PHE A 50 -5.880 -7.246 2.184 1.00 0.00 C ATOM 776 CE2 PHE A 50 -7.371 -8.041 3.877 1.00 0.00 C ATOM 777 CZ PHE A 50 -6.324 -8.266 3.004 1.00 0.00 C ATOM 0 H PHE A 50 -8.242 -4.780 5.612 1.00 0.00 H new ATOM 0 HA PHE A 50 -6.455 -3.384 3.917 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -9.233 -4.537 3.450 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -8.173 -3.970 2.175 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -6.136 -5.212 1.594 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -8.788 -6.626 4.612 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -5.061 -7.419 1.501 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -7.721 -8.836 4.519 1.00 0.00 H new ATOM 0 HZ PHE A 50 -5.853 -9.237 2.962 1.00 0.00 H new ATOM 787 N ILE A 51 -9.341 -1.911 4.555 1.00 0.00 N ATOM 788 CA ILE A 51 -10.043 -0.634 4.497 1.00 0.00 C ATOM 789 C ILE A 51 -9.261 0.466 5.214 1.00 0.00 C ATOM 790 O ILE A 51 -8.989 1.520 4.638 1.00 0.00 O ATOM 791 CB ILE A 51 -11.455 -0.744 5.108 1.00 0.00 C ATOM 792 CG1 ILE A 51 -12.315 -1.706 4.283 1.00 0.00 C ATOM 793 CG2 ILE A 51 -12.114 0.628 5.188 1.00 0.00 C ATOM 794 CD1 ILE A 51 -13.661 -2.010 4.907 1.00 0.00 C ATOM 0 H ILE A 51 -9.856 -2.653 5.029 1.00 0.00 H new ATOM 0 HA ILE A 51 -10.133 -0.370 3.443 1.00 0.00 H new ATOM 0 HB ILE A 51 -11.365 -1.138 6.120 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -12.472 -1.280 3.292 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -11.769 -2.640 4.145 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -13.109 0.529 5.622 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -11.510 1.286 5.813 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -12.195 1.052 4.187 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -14.212 -2.697 4.266 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -13.514 -2.466 5.886 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -14.227 -1.085 5.019 1.00 0.00 H new ATOM 806 N GLU A 52 -8.904 0.216 6.471 1.00 0.00 N ATOM 807 CA GLU A 52 -8.156 1.189 7.263 1.00 0.00 C ATOM 808 C GLU A 52 -6.828 1.537 6.597 1.00 0.00 C ATOM 809 O GLU A 52 -6.383 2.684 6.645 1.00 0.00 O ATOM 810 CB GLU A 52 -7.906 0.652 8.676 1.00 0.00 C ATOM 811 CG GLU A 52 -6.993 -0.563 8.717 1.00 0.00 C ATOM 812 CD GLU A 52 -6.752 -1.065 10.127 1.00 0.00 C ATOM 813 OE1 GLU A 52 -7.603 -1.821 10.642 1.00 0.00 O ATOM 814 OE2 GLU A 52 -5.712 -0.705 10.716 1.00 0.00 O ATOM 0 H GLU A 52 -9.120 -0.651 6.963 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.756 2.097 7.328 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -7.469 1.444 9.284 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -8.862 0.392 9.131 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.432 -1.363 8.121 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -6.038 -0.310 8.257 1.00 0.00 H new ATOM 821 N LYS A 53 -6.200 0.542 5.978 1.00 0.00 N ATOM 822 CA LYS A 53 -4.922 0.744 5.305 1.00 0.00 C ATOM 823 C LYS A 53 -5.051 1.753 4.167 1.00 0.00 C ATOM 824 O LYS A 53 -4.349 2.765 4.142 1.00 0.00 O ATOM 825 CB LYS A 53 -4.390 -0.585 4.773 1.00 0.00 C ATOM 826 CG LYS A 53 -3.093 -0.462 3.986 1.00 0.00 C ATOM 827 CD LYS A 53 -1.961 0.074 4.849 1.00 0.00 C ATOM 828 CE LYS A 53 -0.650 0.120 4.082 1.00 0.00 C ATOM 829 NZ LYS A 53 -0.233 -1.229 3.614 1.00 0.00 N ATOM 0 H LYS A 53 -6.556 -0.413 5.929 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.217 1.144 6.033 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.231 -1.263 5.612 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -5.148 -1.039 4.135 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.816 -1.437 3.586 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.246 0.200 3.134 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.213 1.074 5.201 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -1.846 -0.555 5.732 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -0.754 0.785 3.225 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.129 0.540 4.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.771 -1.207 3.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.369 -1.920 4.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -0.808 -1.505 2.793 1.00 0.00 H new ATOM 843 N TYR A 54 -5.948 1.471 3.228 1.00 0.00 N ATOM 844 CA TYR A 54 -6.162 2.356 2.089 1.00 0.00 C ATOM 845 C TYR A 54 -6.712 3.703 2.548 1.00 0.00 C ATOM 846 O TYR A 54 -6.559 4.713 1.862 1.00 0.00 O ATOM 847 CB TYR A 54 -7.120 1.714 1.084 1.00 0.00 C ATOM 848 CG TYR A 54 -7.273 2.505 -0.196 1.00 0.00 C ATOM 849 CD1 TYR A 54 -6.347 2.384 -1.224 1.00 0.00 C ATOM 850 CD2 TYR A 54 -8.342 3.375 -0.376 1.00 0.00 C ATOM 851 CE1 TYR A 54 -6.479 3.107 -2.395 1.00 0.00 C ATOM 852 CE2 TYR A 54 -8.482 4.101 -1.544 1.00 0.00 C ATOM 853 CZ TYR A 54 -7.548 3.963 -2.550 1.00 0.00 C ATOM 854 OH TYR A 54 -7.684 4.684 -3.714 1.00 0.00 O ATOM 0 H TYR A 54 -6.537 0.638 3.233 1.00 0.00 H new ATOM 0 HA TYR A 54 -5.201 2.520 1.603 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -6.763 0.713 0.842 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -8.099 1.599 1.550 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -5.509 1.713 -1.107 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -9.075 3.486 0.409 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -5.749 3.002 -3.184 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -9.318 4.773 -1.668 1.00 0.00 H new ATOM 0 HH TYR A 54 -8.490 5.239 -3.663 1.00 0.00 H new ATOM 864 N LYS A 55 -7.354 3.707 3.712 1.00 0.00 N ATOM 865 CA LYS A 55 -7.925 4.927 4.269 1.00 0.00 C ATOM 866 C LYS A 55 -6.823 5.915 4.640 1.00 0.00 C ATOM 867 O LYS A 55 -6.854 7.077 4.233 1.00 0.00 O ATOM 868 CB LYS A 55 -8.772 4.599 5.501 1.00 0.00 C ATOM 869 CG LYS A 55 -9.374 5.821 6.176 1.00 0.00 C ATOM 870 CD LYS A 55 -10.163 5.439 7.418 1.00 0.00 C ATOM 871 CE LYS A 55 -10.707 6.667 8.130 1.00 0.00 C ATOM 872 NZ LYS A 55 -9.615 7.574 8.581 1.00 0.00 N ATOM 0 H LYS A 55 -7.492 2.877 4.288 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.562 5.386 3.513 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -9.576 3.924 5.208 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.155 4.064 6.223 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.580 6.516 6.448 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -10.027 6.341 5.475 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -10.988 4.783 7.139 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -9.524 4.876 8.098 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -11.376 7.208 7.461 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -11.300 6.356 8.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.801 7.882 9.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -8.707 7.069 8.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.574 8.405 7.957 1.00 0.00 H new ATOM 886 N GLU A 56 -5.854 5.442 5.415 1.00 0.00 N ATOM 887 CA GLU A 56 -4.738 6.277 5.845 1.00 0.00 C ATOM 888 C GLU A 56 -3.873 6.692 4.660 1.00 0.00 C ATOM 889 O GLU A 56 -3.488 7.856 4.538 1.00 0.00 O ATOM 890 CB GLU A 56 -3.883 5.533 6.872 1.00 0.00 C ATOM 891 CG GLU A 56 -4.642 5.134 8.127 1.00 0.00 C ATOM 892 CD GLU A 56 -5.233 6.325 8.856 1.00 0.00 C ATOM 893 OE1 GLU A 56 -4.486 7.002 9.591 1.00 0.00 O ATOM 894 OE2 GLU A 56 -6.445 6.579 8.691 1.00 0.00 O ATOM 0 H GLU A 56 -5.818 4.483 5.759 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.151 7.176 6.303 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.471 4.637 6.407 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.039 6.163 7.154 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.442 4.444 7.859 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.970 4.599 8.798 1.00 0.00 H new ATOM 901 N CYS A 57 -3.572 5.733 3.789 1.00 0.00 N ATOM 902 CA CYS A 57 -2.745 5.993 2.616 1.00 0.00 C ATOM 903 C CYS A 57 -3.347 7.090 1.743 1.00 0.00 C ATOM 904 O CYS A 57 -2.701 8.101 1.469 1.00 0.00 O ATOM 905 CB CYS A 57 -2.572 4.710 1.800 1.00 0.00 C ATOM 906 SG CYS A 57 -1.723 3.382 2.688 1.00 0.00 S ATOM 0 H CYS A 57 -3.889 4.767 3.874 1.00 0.00 H new ATOM 0 HA CYS A 57 -1.770 6.335 2.962 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -3.554 4.355 1.488 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -2.014 4.941 0.893 1.00 0.00 H new ATOM 0 HG CYS A 57 -2.562 2.785 3.482 1.00 0.00 H new ATOM 912 N MET A 58 -4.587 6.886 1.311 1.00 0.00 N ATOM 913 CA MET A 58 -5.271 7.859 0.464 1.00 0.00 C ATOM 914 C MET A 58 -5.417 9.200 1.178 1.00 0.00 C ATOM 915 O MET A 58 -5.328 10.257 0.553 1.00 0.00 O ATOM 916 CB MET A 58 -6.646 7.333 0.054 1.00 0.00 C ATOM 917 CG MET A 58 -7.264 8.095 -1.107 1.00 0.00 C ATOM 918 SD MET A 58 -6.252 8.020 -2.597 1.00 0.00 S ATOM 919 CE MET A 58 -7.276 8.931 -3.747 1.00 0.00 C ATOM 0 H MET A 58 -5.139 6.057 1.532 1.00 0.00 H new ATOM 0 HA MET A 58 -4.667 8.010 -0.430 1.00 0.00 H new ATOM 0 HB2 MET A 58 -6.558 6.281 -0.218 1.00 0.00 H new ATOM 0 HB3 MET A 58 -7.317 7.386 0.911 1.00 0.00 H new ATOM 0 HG2 MET A 58 -8.252 7.686 -1.321 1.00 0.00 H new ATOM 0 HG3 MET A 58 -7.406 9.137 -0.820 1.00 0.00 H new ATOM 0 HE1 MET A 58 -7.139 8.532 -4.752 1.00 0.00 H new ATOM 0 HE2 MET A 58 -8.323 8.834 -3.458 1.00 0.00 H new ATOM 0 HE3 MET A 58 -6.992 9.983 -3.733 1.00 0.00 H new ATOM 929 N LYS A 59 -5.641 9.154 2.489 1.00 0.00 N ATOM 930 CA LYS A 59 -5.798 10.373 3.276 1.00 0.00 C ATOM 931 C LYS A 59 -4.502 11.177 3.290 1.00 0.00 C ATOM 932 O LYS A 59 -4.525 12.408 3.299 1.00 0.00 O ATOM 933 CB LYS A 59 -6.226 10.038 4.707 1.00 0.00 C ATOM 934 CG LYS A 59 -6.588 11.262 5.534 1.00 0.00 C ATOM 935 CD LYS A 59 -7.148 10.875 6.895 1.00 0.00 C ATOM 936 CE LYS A 59 -6.093 10.220 7.772 1.00 0.00 C ATOM 937 NZ LYS A 59 -4.969 11.148 8.076 1.00 0.00 N ATOM 0 H LYS A 59 -5.717 8.290 3.026 1.00 0.00 H new ATOM 0 HA LYS A 59 -6.576 10.978 2.811 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.083 9.365 4.673 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.418 9.500 5.203 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -5.704 11.885 5.668 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -7.322 11.861 4.995 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -7.536 11.763 7.394 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.987 10.191 6.762 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -6.551 9.887 8.703 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -5.706 9.332 7.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.409 10.768 8.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.363 11.246 7.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.349 12.080 8.339 1.00 0.00 H new ATOM 951 N GLY A 60 -3.373 10.473 3.291 1.00 0.00 N ATOM 952 CA GLY A 60 -2.085 11.141 3.292 1.00 0.00 C ATOM 953 C GLY A 60 -1.759 11.748 1.943 1.00 0.00 C ATOM 954 O GLY A 60 -1.034 12.739 1.856 1.00 0.00 O ATOM 0 H GLY A 60 -3.328 9.454 3.291 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -2.083 11.923 4.051 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -1.307 10.428 3.566 1.00 0.00 H new ATOM 958 N TYR A 61 -2.301 11.146 0.887 1.00 0.00 N ATOM 959 CA TYR A 61 -2.076 11.624 -0.471 1.00 0.00 C ATOM 960 C TYR A 61 -2.716 12.994 -0.683 1.00 0.00 C ATOM 961 O TYR A 61 -2.121 13.876 -1.303 1.00 0.00 O ATOM 962 CB TYR A 61 -2.637 10.618 -1.481 1.00 0.00 C ATOM 963 CG TYR A 61 -2.753 11.159 -2.890 1.00 0.00 C ATOM 964 CD1 TYR A 61 -1.635 11.617 -3.575 1.00 0.00 C ATOM 965 CD2 TYR A 61 -3.984 11.217 -3.531 1.00 0.00 C ATOM 966 CE1 TYR A 61 -1.740 12.115 -4.859 1.00 0.00 C ATOM 967 CE2 TYR A 61 -4.097 11.713 -4.815 1.00 0.00 C ATOM 968 CZ TYR A 61 -2.972 12.162 -5.475 1.00 0.00 C ATOM 969 OH TYR A 61 -3.079 12.657 -6.755 1.00 0.00 O ATOM 0 H TYR A 61 -2.901 10.323 0.948 1.00 0.00 H new ATOM 0 HA TYR A 61 -1.001 11.724 -0.624 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -1.997 9.736 -1.493 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -3.622 10.293 -1.146 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -0.668 11.583 -3.096 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -4.867 10.868 -3.017 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -0.860 12.466 -5.378 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -5.061 11.749 -5.300 1.00 0.00 H new ATOM 0 HH TYR A 61 -4.015 12.619 -7.043 1.00 0.00 H new ATOM 979 N GLY A 62 -3.930 13.163 -0.166 1.00 0.00 N ATOM 980 CA GLY A 62 -4.626 14.427 -0.312 1.00 0.00 C ATOM 981 C GLY A 62 -6.062 14.251 -0.762 1.00 0.00 C ATOM 982 O GLY A 62 -6.580 15.055 -1.538 1.00 0.00 O ATOM 0 H GLY A 62 -4.442 12.448 0.350 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -4.610 14.959 0.639 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.096 15.048 -1.034 1.00 0.00 H new ATOM 986 N PHE A 63 -6.709 13.196 -0.273 1.00 0.00 N ATOM 987 CA PHE A 63 -8.095 12.918 -0.628 1.00 0.00 C ATOM 988 C PHE A 63 -8.755 12.028 0.421 1.00 0.00 C ATOM 989 O PHE A 63 -8.147 11.077 0.914 1.00 0.00 O ATOM 990 CB PHE A 63 -8.171 12.250 -2.004 1.00 0.00 C ATOM 991 CG PHE A 63 -9.553 12.244 -2.594 1.00 0.00 C ATOM 992 CD1 PHE A 63 -10.071 13.384 -3.187 1.00 0.00 C ATOM 993 CD2 PHE A 63 -10.336 11.100 -2.554 1.00 0.00 C ATOM 994 CE1 PHE A 63 -11.341 13.384 -3.731 1.00 0.00 C ATOM 995 CE2 PHE A 63 -11.608 11.094 -3.096 1.00 0.00 C ATOM 996 CZ PHE A 63 -12.111 12.238 -3.685 1.00 0.00 C ATOM 0 H PHE A 63 -6.295 12.521 0.370 1.00 0.00 H new ATOM 0 HA PHE A 63 -8.631 13.866 -0.665 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -7.496 12.766 -2.687 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -7.816 11.223 -1.920 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -9.475 14.284 -3.224 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -9.948 10.203 -2.094 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -11.731 14.279 -4.192 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -12.207 10.196 -3.059 1.00 0.00 H new ATOM 0 HZ PHE A 63 -13.104 12.236 -4.109 1.00 0.00 H new ATOM 1006 N GLU A 64 -10.000 12.346 0.758 1.00 0.00 N ATOM 1007 CA GLU A 64 -10.749 11.581 1.749 1.00 0.00 C ATOM 1008 C GLU A 64 -11.183 10.233 1.176 1.00 0.00 C ATOM 1009 O GLU A 64 -10.635 9.771 0.174 1.00 0.00 O ATOM 1010 CB GLU A 64 -11.975 12.379 2.205 1.00 0.00 C ATOM 1011 CG GLU A 64 -11.636 13.769 2.717 1.00 0.00 C ATOM 1012 CD GLU A 64 -12.867 14.562 3.113 1.00 0.00 C ATOM 1013 OE1 GLU A 64 -13.285 14.461 4.284 1.00 0.00 O ATOM 1014 OE2 GLU A 64 -13.412 15.282 2.250 1.00 0.00 O ATOM 0 H GLU A 64 -10.514 13.131 0.358 1.00 0.00 H new ATOM 0 HA GLU A 64 -10.102 11.397 2.607 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -12.672 12.467 1.372 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -12.487 11.825 2.992 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -10.972 13.683 3.577 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -11.091 14.313 1.946 1.00 0.00 H new ATOM 1021 N VAL A 65 -12.163 9.601 1.818 1.00 0.00 N ATOM 1022 CA VAL A 65 -12.664 8.312 1.358 1.00 0.00 C ATOM 1023 C VAL A 65 -14.189 8.326 1.237 1.00 0.00 C ATOM 1024 O VAL A 65 -14.887 7.661 2.006 1.00 0.00 O ATOM 1025 CB VAL A 65 -12.239 7.165 2.300 1.00 0.00 C ATOM 1026 CG1 VAL A 65 -12.607 5.814 1.704 1.00 0.00 C ATOM 1027 CG2 VAL A 65 -10.748 7.235 2.591 1.00 0.00 C ATOM 0 H VAL A 65 -12.623 9.960 2.655 1.00 0.00 H new ATOM 0 HA VAL A 65 -12.226 8.137 0.375 1.00 0.00 H new ATOM 0 HB VAL A 65 -12.777 7.280 3.241 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -12.298 5.020 2.384 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -13.685 5.764 1.554 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -12.101 5.689 0.747 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -10.468 6.418 3.256 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -10.191 7.150 1.658 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -10.515 8.187 3.067 1.00 0.00 H new