USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 408 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 35 GLN : amide:sc= 0.423 K(o=0.42,f=-2.9!) USER MOD Single : A 42 THR OG1 : rot -27:sc= 0.457 USER MOD Single : A 47 TYR OH : rot 53:sc= 1.27 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0.00371 USER MOD Single : A 61 CYS SG : rot 102:sc= -10.9! USER MOD Single : A 64 GLN : amide:sc= -2.73 K(o=-2.7,f=-3.5!) USER MOD Single : A 69 SER OG : rot -94:sc= 0.0311 USER MOD Single : A 70 GLN : amide:sc= -1.71 X(o=-1.7,f=-1.2) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 375 N LEU A 31 8.974 3.204 -2.512 1.00 0.00 N ATOM 376 CA LEU A 31 7.819 3.576 -1.685 1.00 0.00 C ATOM 377 C LEU A 31 8.046 4.946 -1.043 1.00 0.00 C ATOM 378 O LEU A 31 8.953 5.117 -0.220 1.00 0.00 O ATOM 379 CB LEU A 31 7.555 2.501 -0.602 1.00 0.00 C ATOM 380 CG LEU A 31 6.528 1.387 -0.945 1.00 0.00 C ATOM 381 CD1 LEU A 31 5.337 1.920 -1.726 1.00 0.00 C ATOM 382 CD2 LEU A 31 7.178 0.245 -1.708 1.00 0.00 C ATOM 0 HA LEU A 31 6.939 3.636 -2.325 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.505 2.023 -0.362 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.215 3.007 0.301 1.00 0.00 H new ATOM 0 HG LEU A 31 6.161 1.008 0.009 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.648 1.103 -1.941 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.825 2.680 -1.135 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.683 2.359 -2.662 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.430 -0.516 -1.931 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.600 0.623 -2.639 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.971 -0.193 -1.102 1.00 0.00 H new ATOM 394 N TRP A 32 7.214 5.921 -1.441 1.00 0.00 N ATOM 395 CA TRP A 32 7.304 7.301 -0.932 1.00 0.00 C ATOM 396 C TRP A 32 5.914 7.945 -0.856 1.00 0.00 C ATOM 397 O TRP A 32 4.981 7.484 -1.517 1.00 0.00 O ATOM 398 CB TRP A 32 8.255 8.152 -1.814 1.00 0.00 C ATOM 399 CG TRP A 32 7.812 8.328 -3.246 1.00 0.00 C ATOM 400 CD1 TRP A 32 7.767 7.367 -4.215 1.00 0.00 C ATOM 401 CD2 TRP A 32 7.355 9.542 -3.865 1.00 0.00 C ATOM 402 NE1 TRP A 32 7.306 7.904 -5.390 1.00 0.00 N ATOM 403 CE2 TRP A 32 7.048 9.235 -5.203 1.00 0.00 C ATOM 404 CE3 TRP A 32 7.173 10.858 -3.419 1.00 0.00 C ATOM 405 CZ2 TRP A 32 6.572 10.191 -6.097 1.00 0.00 C ATOM 406 CZ3 TRP A 32 6.700 11.805 -4.308 1.00 0.00 C ATOM 407 CH2 TRP A 32 6.404 11.467 -5.634 1.00 0.00 C ATOM 0 H TRP A 32 6.465 5.778 -2.119 1.00 0.00 H new ATOM 0 HA TRP A 32 7.717 7.264 0.076 1.00 0.00 H new ATOM 0 HB2 TRP A 32 8.363 9.137 -1.360 1.00 0.00 H new ATOM 0 HB3 TRP A 32 9.242 7.689 -1.809 1.00 0.00 H new ATOM 0 HD1 TRP A 32 8.053 6.335 -4.076 1.00 0.00 H new ATOM 0 HE1 TRP A 32 7.176 7.393 -6.263 1.00 0.00 H new ATOM 0 HE3 TRP A 32 7.399 11.128 -2.398 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 6.343 9.934 -7.121 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 6.556 12.822 -3.974 1.00 0.00 H new ATOM 0 HH2 TRP A 32 6.036 12.229 -6.305 1.00 0.00 H new ATOM 418 N GLU A 33 5.793 9.027 -0.068 1.00 0.00 N ATOM 419 CA GLU A 33 4.519 9.744 0.106 1.00 0.00 C ATOM 420 C GLU A 33 4.055 10.401 -1.203 1.00 0.00 C ATOM 421 O GLU A 33 4.722 11.296 -1.735 1.00 0.00 O ATOM 422 CB GLU A 33 4.652 10.800 1.208 1.00 0.00 C ATOM 423 CG GLU A 33 4.476 10.241 2.611 1.00 0.00 C ATOM 424 CD GLU A 33 4.420 11.327 3.667 1.00 0.00 C ATOM 425 OE1 GLU A 33 5.497 11.795 4.095 1.00 0.00 O ATOM 426 OE2 GLU A 33 3.300 11.710 4.066 1.00 0.00 O1- ATOM 0 H GLU A 33 6.568 9.426 0.462 1.00 0.00 H new ATOM 0 HA GLU A 33 3.765 9.013 0.397 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.633 11.269 1.133 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.911 11.582 1.042 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.560 9.652 2.651 1.00 0.00 H new ATOM 0 HG3 GLU A 33 5.300 9.564 2.835 1.00 0.00 H new ATOM 433 N GLY A 34 2.908 9.932 -1.710 1.00 0.00 N ATOM 434 CA GLY A 34 2.350 10.445 -2.953 1.00 0.00 C ATOM 435 C GLY A 34 2.739 9.592 -4.146 1.00 0.00 C ATOM 436 O GLY A 34 2.855 10.098 -5.265 1.00 0.00 O ATOM 0 H GLY A 34 2.353 9.197 -1.273 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.264 10.484 -2.874 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.695 11.467 -3.110 1.00 0.00 H new ATOM 440 N GLN A 35 2.940 8.294 -3.892 1.00 0.00 N ATOM 441 CA GLN A 35 3.323 7.346 -4.927 1.00 0.00 C ATOM 442 C GLN A 35 2.106 6.528 -5.353 1.00 0.00 C ATOM 443 O GLN A 35 1.495 5.843 -4.526 1.00 0.00 O ATOM 444 CB GLN A 35 4.468 6.441 -4.396 1.00 0.00 C ATOM 445 CG GLN A 35 4.587 5.058 -5.056 1.00 0.00 C ATOM 446 CD GLN A 35 5.845 4.888 -5.884 1.00 0.00 C ATOM 447 OE1 GLN A 35 6.205 5.747 -6.693 1.00 0.00 O ATOM 448 NE2 GLN A 35 6.514 3.759 -5.694 1.00 0.00 N ATOM 0 H GLN A 35 2.841 7.879 -2.965 1.00 0.00 H new ATOM 0 HA GLN A 35 3.690 7.876 -5.806 1.00 0.00 H new ATOM 0 HB2 GLN A 35 5.413 6.968 -4.527 1.00 0.00 H new ATOM 0 HB3 GLN A 35 4.328 6.301 -3.324 1.00 0.00 H new ATOM 0 HG2 GLN A 35 4.566 4.292 -4.281 1.00 0.00 H new ATOM 0 HG3 GLN A 35 3.718 4.892 -5.692 1.00 0.00 H new ATOM 0 HE21 GLN A 35 6.180 3.076 -5.014 1.00 0.00 H new ATOM 0 HE22 GLN A 35 7.363 3.573 -6.228 1.00 0.00 H new ATOM 457 N ASP A 36 1.753 6.609 -6.646 1.00 0.00 N ATOM 458 CA ASP A 36 0.628 5.840 -7.182 1.00 0.00 C ATOM 459 C ASP A 36 1.034 4.373 -7.234 1.00 0.00 C ATOM 460 O ASP A 36 1.899 3.975 -8.023 1.00 0.00 O ATOM 461 CB ASP A 36 0.203 6.348 -8.565 1.00 0.00 C ATOM 462 CG ASP A 36 -0.465 7.709 -8.507 1.00 0.00 C ATOM 463 OD1 ASP A 36 0.257 8.719 -8.367 1.00 0.00 O1- ATOM 464 OD2 ASP A 36 -1.709 7.764 -8.599 1.00 0.00 O ATOM 0 H ASP A 36 2.229 7.196 -7.332 1.00 0.00 H new ATOM 0 HA ASP A 36 -0.238 5.962 -6.531 1.00 0.00 H new ATOM 0 HB2 ASP A 36 1.078 6.404 -9.212 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -0.482 5.630 -9.017 1.00 0.00 H new ATOM 469 N VAL A 37 0.403 3.588 -6.373 1.00 0.00 N ATOM 470 CA VAL A 37 0.718 2.173 -6.236 1.00 0.00 C ATOM 471 C VAL A 37 -0.427 1.268 -6.660 1.00 0.00 C ATOM 472 O VAL A 37 -1.572 1.706 -6.807 1.00 0.00 O ATOM 473 CB VAL A 37 1.086 1.824 -4.764 1.00 0.00 C ATOM 474 CG1 VAL A 37 2.443 2.404 -4.398 1.00 0.00 C ATOM 475 CG2 VAL A 37 -0.001 2.284 -3.771 1.00 0.00 C ATOM 0 H VAL A 37 -0.339 3.912 -5.752 1.00 0.00 H new ATOM 0 HA VAL A 37 1.566 1.997 -6.898 1.00 0.00 H new ATOM 0 HB VAL A 37 1.144 0.738 -4.691 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.681 2.149 -3.365 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.205 1.991 -5.059 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.417 3.488 -4.507 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.298 2.020 -2.757 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.126 3.364 -3.843 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.944 1.793 -4.011 1.00 0.00 H new ATOM 485 N LEU A 38 -0.079 0.000 -6.850 1.00 0.00 N ATOM 486 CA LEU A 38 -1.033 -1.020 -7.214 1.00 0.00 C ATOM 487 C LEU A 38 -1.056 -2.074 -6.127 1.00 0.00 C ATOM 488 O LEU A 38 -0.169 -2.932 -6.031 1.00 0.00 O ATOM 489 CB LEU A 38 -0.682 -1.613 -8.579 1.00 0.00 C ATOM 490 CG LEU A 38 -0.835 -0.644 -9.759 1.00 0.00 C ATOM 491 CD1 LEU A 38 -0.153 -1.194 -11.000 1.00 0.00 C ATOM 492 CD2 LEU A 38 -2.304 -0.366 -10.031 1.00 0.00 C ATOM 0 H LEU A 38 0.877 -0.342 -6.754 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.031 -0.590 -7.302 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.348 -1.970 -8.551 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.316 -2.482 -8.756 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.350 0.296 -9.496 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.274 -0.491 -11.824 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.909 -1.337 -10.798 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.603 -2.149 -11.269 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.395 0.323 -10.871 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.813 -1.300 -10.271 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.760 0.078 -9.146 1.00 0.00 H new ATOM 504 N ALA A 39 -2.087 -1.974 -5.300 1.00 0.00 N ATOM 505 CA ALA A 39 -2.288 -2.868 -4.180 1.00 0.00 C ATOM 506 C ALA A 39 -3.197 -4.027 -4.588 1.00 0.00 C ATOM 507 O ALA A 39 -4.408 -3.857 -4.761 1.00 0.00 O ATOM 508 CB ALA A 39 -2.875 -2.074 -3.019 1.00 0.00 C ATOM 0 H ALA A 39 -2.811 -1.262 -5.393 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.337 -3.298 -3.864 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.032 -2.736 -2.168 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.186 -1.278 -2.737 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.828 -1.639 -3.321 1.00 0.00 H new ATOM 514 N ARG A 40 -2.593 -5.202 -4.767 1.00 0.00 N ATOM 515 CA ARG A 40 -3.319 -6.412 -5.163 1.00 0.00 C ATOM 516 C ARG A 40 -4.162 -6.943 -4.000 1.00 0.00 C ATOM 517 O ARG A 40 -3.652 -7.096 -2.885 1.00 0.00 O ATOM 518 CB ARG A 40 -2.319 -7.480 -5.596 1.00 0.00 C ATOM 519 CG ARG A 40 -2.688 -8.200 -6.887 1.00 0.00 C ATOM 520 CD ARG A 40 -1.507 -8.971 -7.460 1.00 0.00 C ATOM 521 NE ARG A 40 -0.493 -8.086 -8.050 1.00 0.00 N ATOM 522 CZ ARG A 40 0.794 -8.039 -7.675 1.00 0.00 C ATOM 523 NH1 ARG A 40 1.259 -8.825 -6.706 1.00 0.00 N1+ ATOM 524 NH2 ARG A 40 1.621 -7.198 -8.280 1.00 0.00 N ATOM 0 H ARG A 40 -1.591 -5.343 -4.642 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.985 -6.167 -5.990 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.341 -7.016 -5.720 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.224 -8.216 -4.798 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.513 -8.887 -6.698 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.039 -7.474 -7.621 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.049 -9.568 -6.671 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.865 -9.666 -8.219 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.790 -7.461 -8.800 1.00 0.00 H new ATOM 0 HH11 ARG A 40 0.633 -9.478 -6.234 1.00 0.00 H new ATOM 0 HH12 ARG A 40 2.241 -8.774 -6.435 1.00 0.00 H new ATOM 0 HH21 ARG A 40 1.277 -6.592 -9.025 1.00 0.00 H new ATOM 0 HH22 ARG A 40 2.601 -7.157 -8.000 1.00 0.00 H new ATOM 538 N TRP A 41 -5.444 -7.218 -4.261 1.00 0.00 N ATOM 539 CA TRP A 41 -6.339 -7.718 -3.217 1.00 0.00 C ATOM 540 C TRP A 41 -6.733 -9.188 -3.445 1.00 0.00 C ATOM 541 O TRP A 41 -6.539 -9.740 -4.531 1.00 0.00 O ATOM 542 CB TRP A 41 -7.570 -6.806 -3.075 1.00 0.00 C ATOM 543 CG TRP A 41 -8.183 -6.876 -1.698 1.00 0.00 C ATOM 544 CD1 TRP A 41 -9.193 -7.699 -1.290 1.00 0.00 C ATOM 545 CD2 TRP A 41 -7.800 -6.112 -0.541 1.00 0.00 C ATOM 546 NE1 TRP A 41 -9.473 -7.485 0.038 1.00 0.00 N ATOM 547 CE2 TRP A 41 -8.633 -6.517 0.519 1.00 0.00 C ATOM 548 CE3 TRP A 41 -6.839 -5.121 -0.298 1.00 0.00 C ATOM 549 CZ2 TRP A 41 -8.534 -5.970 1.796 1.00 0.00 C ATOM 550 CZ3 TRP A 41 -6.742 -4.582 0.970 1.00 0.00 C ATOM 551 CH2 TRP A 41 -7.585 -5.008 2.003 1.00 0.00 C ATOM 0 H TRP A 41 -5.880 -7.104 -5.176 1.00 0.00 H new ATOM 0 HA TRP A 41 -5.794 -7.693 -2.273 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -7.283 -5.777 -3.290 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -8.316 -7.090 -3.817 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -9.699 -8.415 -1.920 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -10.190 -7.969 0.578 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -6.185 -4.784 -1.089 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -9.184 -6.295 2.595 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -6.003 -3.819 1.168 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -7.484 -4.568 2.984 1.00 0.00 H new ATOM 562 N THR A 42 -7.295 -9.798 -2.385 1.00 0.00 N ATOM 563 CA THR A 42 -7.707 -11.216 -2.363 1.00 0.00 C ATOM 564 C THR A 42 -8.924 -11.536 -3.250 1.00 0.00 C ATOM 565 O THR A 42 -9.281 -12.710 -3.406 1.00 0.00 O ATOM 566 CB THR A 42 -8.033 -11.665 -0.917 1.00 0.00 C ATOM 567 OG1 THR A 42 -9.094 -10.866 -0.376 1.00 0.00 O ATOM 568 CG2 THR A 42 -6.812 -11.554 -0.016 1.00 0.00 C ATOM 0 H THR A 42 -7.479 -9.314 -1.506 1.00 0.00 H new ATOM 0 HA THR A 42 -6.855 -11.762 -2.767 1.00 0.00 H new ATOM 0 HB THR A 42 -8.343 -12.709 -0.958 1.00 0.00 H new ATOM 0 HG1 THR A 42 -9.097 -9.988 -0.811 1.00 0.00 H new ATOM 0 HG21 THR A 42 -7.073 -11.876 0.992 1.00 0.00 H new ATOM 0 HG22 THR A 42 -6.014 -12.187 -0.404 1.00 0.00 H new ATOM 0 HG23 THR A 42 -6.472 -10.519 0.011 1.00 0.00 H new ATOM 576 N ASP A 43 -9.549 -10.507 -3.829 1.00 0.00 N ATOM 577 CA ASP A 43 -10.728 -10.694 -4.688 1.00 0.00 C ATOM 578 C ASP A 43 -10.323 -11.011 -6.134 1.00 0.00 C ATOM 579 O ASP A 43 -11.181 -11.223 -6.998 1.00 0.00 O ATOM 580 CB ASP A 43 -11.648 -9.455 -4.643 1.00 0.00 C ATOM 581 CG ASP A 43 -10.902 -8.134 -4.771 1.00 0.00 C ATOM 582 OD1 ASP A 43 -10.366 -7.857 -5.864 1.00 0.00 O ATOM 583 OD2 ASP A 43 -10.857 -7.380 -3.777 1.00 0.00 O1- ATOM 0 H ASP A 43 -9.260 -9.535 -3.720 1.00 0.00 H new ATOM 0 HA ASP A 43 -11.283 -11.548 -4.299 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -12.380 -9.528 -5.447 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -12.203 -9.459 -3.705 1.00 0.00 H new ATOM 588 N GLY A 44 -9.005 -11.052 -6.374 1.00 0.00 N ATOM 589 CA GLY A 44 -8.483 -11.336 -7.701 1.00 0.00 C ATOM 590 C GLY A 44 -8.260 -10.078 -8.524 1.00 0.00 C ATOM 591 O GLY A 44 -7.559 -10.113 -9.541 1.00 0.00 O ATOM 0 H GLY A 44 -8.290 -10.892 -5.664 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -7.541 -11.877 -7.609 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -9.177 -11.992 -8.227 1.00 0.00 H new ATOM 595 N LEU A 45 -8.861 -8.968 -8.077 1.00 0.00 N ATOM 596 CA LEU A 45 -8.741 -7.685 -8.756 1.00 0.00 C ATOM 597 C LEU A 45 -7.695 -6.799 -8.086 1.00 0.00 C ATOM 598 O LEU A 45 -7.440 -6.916 -6.882 1.00 0.00 O ATOM 599 CB LEU A 45 -10.092 -6.971 -8.778 1.00 0.00 C ATOM 600 CG LEU A 45 -11.119 -7.573 -9.735 1.00 0.00 C ATOM 601 CD1 LEU A 45 -12.492 -7.599 -9.090 1.00 0.00 C ATOM 602 CD2 LEU A 45 -11.158 -6.796 -11.043 1.00 0.00 C ATOM 0 H LEU A 45 -9.440 -8.940 -7.238 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.418 -7.877 -9.779 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -10.507 -6.978 -7.770 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.931 -5.928 -9.049 1.00 0.00 H new ATOM 0 HG LEU A 45 -10.821 -8.598 -9.957 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -13.212 -8.031 -9.785 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -12.456 -8.202 -8.183 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -12.795 -6.583 -8.838 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -11.896 -7.242 -11.709 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -11.430 -5.760 -10.843 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -10.176 -6.829 -11.515 1.00 0.00 H new ATOM 614 N LEU A 46 -7.097 -5.915 -8.888 1.00 0.00 N ATOM 615 CA LEU A 46 -6.075 -4.974 -8.430 1.00 0.00 C ATOM 616 C LEU A 46 -6.727 -3.715 -7.829 1.00 0.00 C ATOM 617 O LEU A 46 -7.919 -3.465 -8.041 1.00 0.00 O ATOM 618 CB LEU A 46 -5.189 -4.606 -9.638 1.00 0.00 C ATOM 619 CG LEU A 46 -3.948 -3.748 -9.382 1.00 0.00 C ATOM 620 CD1 LEU A 46 -2.911 -4.493 -8.548 1.00 0.00 C ATOM 621 CD2 LEU A 46 -3.368 -3.335 -10.720 1.00 0.00 C ATOM 0 H LEU A 46 -7.311 -5.832 -9.882 1.00 0.00 H new ATOM 0 HA LEU A 46 -5.468 -5.431 -7.648 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.863 -5.534 -10.108 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -5.813 -4.083 -10.363 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.234 -2.865 -8.810 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.044 -3.852 -8.387 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.345 -4.765 -7.586 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.601 -5.396 -9.074 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.481 -2.722 -10.559 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.096 -4.224 -11.289 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.109 -2.762 -11.276 1.00 0.00 H new ATOM 633 N TYR A 47 -5.929 -2.924 -7.100 1.00 0.00 N ATOM 634 CA TYR A 47 -6.406 -1.696 -6.460 1.00 0.00 C ATOM 635 C TYR A 47 -5.404 -0.572 -6.706 1.00 0.00 C ATOM 636 O TYR A 47 -4.211 -0.733 -6.434 1.00 0.00 O ATOM 637 CB TYR A 47 -6.573 -1.879 -4.932 1.00 0.00 C ATOM 638 CG TYR A 47 -7.762 -2.707 -4.420 1.00 0.00 C ATOM 639 CD1 TYR A 47 -8.772 -3.205 -5.247 1.00 0.00 C ATOM 640 CD2 TYR A 47 -7.864 -2.972 -3.058 1.00 0.00 C ATOM 641 CE1 TYR A 47 -9.830 -3.929 -4.733 1.00 0.00 C ATOM 642 CE2 TYR A 47 -8.918 -3.699 -2.541 1.00 0.00 C ATOM 643 CZ TYR A 47 -9.897 -4.174 -3.381 1.00 0.00 C ATOM 644 OH TYR A 47 -10.950 -4.893 -2.865 1.00 0.00 O ATOM 0 H TYR A 47 -4.941 -3.118 -6.939 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.377 -1.452 -6.892 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -5.661 -2.338 -4.551 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -6.642 -0.887 -4.485 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -8.724 -3.020 -6.310 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -7.101 -2.601 -2.390 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -10.602 -4.301 -5.390 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -8.973 -3.894 -1.480 1.00 0.00 H new ATOM 0 HH TYR A 47 -11.030 -5.745 -3.343 1.00 0.00 H new ATOM 654 N LEU A 48 -5.886 0.559 -7.226 1.00 0.00 N ATOM 655 CA LEU A 48 -5.026 1.714 -7.485 1.00 0.00 C ATOM 656 C LEU A 48 -5.075 2.670 -6.299 1.00 0.00 C ATOM 657 O LEU A 48 -6.153 2.966 -5.776 1.00 0.00 O ATOM 658 CB LEU A 48 -5.444 2.423 -8.790 1.00 0.00 C ATOM 659 CG LEU A 48 -4.684 3.718 -9.148 1.00 0.00 C ATOM 660 CD1 LEU A 48 -3.290 3.411 -9.687 1.00 0.00 C ATOM 661 CD2 LEU A 48 -5.477 4.530 -10.159 1.00 0.00 C ATOM 0 H LEU A 48 -6.865 0.699 -7.475 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.999 1.371 -7.611 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.324 1.719 -9.613 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.506 2.659 -8.724 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.568 4.304 -8.237 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.780 4.343 -9.930 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.719 2.871 -8.932 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.374 2.799 -10.585 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.930 5.441 -10.403 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.623 3.941 -11.064 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.447 4.791 -9.735 1.00 0.00 H new ATOM 673 N GLY A 49 -3.898 3.142 -5.889 1.00 0.00 N ATOM 674 CA GLY A 49 -3.819 4.045 -4.754 1.00 0.00 C ATOM 675 C GLY A 49 -2.595 4.940 -4.761 1.00 0.00 C ATOM 676 O GLY A 49 -1.796 4.908 -5.696 1.00 0.00 O ATOM 0 H GLY A 49 -3.002 2.916 -6.321 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -4.712 4.669 -4.737 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.822 3.458 -3.835 1.00 0.00 H new ATOM 680 N THR A 50 -2.484 5.761 -3.713 1.00 0.00 N ATOM 681 CA THR A 50 -1.353 6.670 -3.524 1.00 0.00 C ATOM 682 C THR A 50 -0.845 6.527 -2.099 1.00 0.00 C ATOM 683 O THR A 50 -1.636 6.458 -1.158 1.00 0.00 O ATOM 684 CB THR A 50 -1.701 8.148 -3.810 1.00 0.00 C ATOM 685 OG1 THR A 50 -3.015 8.262 -4.372 1.00 0.00 O ATOM 686 CG2 THR A 50 -0.680 8.755 -4.767 1.00 0.00 C ATOM 0 H THR A 50 -3.180 5.813 -2.969 1.00 0.00 H new ATOM 0 HA THR A 50 -0.585 6.391 -4.245 1.00 0.00 H new ATOM 0 HB THR A 50 -1.676 8.691 -2.865 1.00 0.00 H new ATOM 0 HG1 THR A 50 -3.216 9.206 -4.544 1.00 0.00 H new ATOM 0 HG21 THR A 50 -0.937 9.797 -4.960 1.00 0.00 H new ATOM 0 HG22 THR A 50 0.313 8.703 -4.321 1.00 0.00 H new ATOM 0 HG23 THR A 50 -0.686 8.200 -5.705 1.00 0.00 H new ATOM 694 N ILE A 51 0.476 6.498 -1.949 1.00 0.00 N ATOM 695 CA ILE A 51 1.121 6.299 -0.644 1.00 0.00 C ATOM 696 C ILE A 51 0.959 7.490 0.302 1.00 0.00 C ATOM 697 O ILE A 51 1.435 8.594 0.033 1.00 0.00 O ATOM 698 CB ILE A 51 2.627 5.929 -0.827 1.00 0.00 C ATOM 699 CG1 ILE A 51 2.752 4.667 -1.713 1.00 0.00 C ATOM 700 CG2 ILE A 51 3.353 5.727 0.515 1.00 0.00 C ATOM 701 CD1 ILE A 51 2.208 3.393 -1.080 1.00 0.00 C ATOM 0 H ILE A 51 1.132 6.611 -2.722 1.00 0.00 H new ATOM 0 HA ILE A 51 0.605 5.466 -0.168 1.00 0.00 H new ATOM 0 HB ILE A 51 3.115 6.770 -1.320 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.227 4.844 -2.651 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.803 4.515 -1.960 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.396 5.472 0.329 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.303 6.647 1.098 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.875 4.919 1.069 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.337 2.560 -1.771 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.749 3.186 -0.157 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.148 3.520 -0.859 1.00 0.00 H new ATOM 713 N LYS A 52 0.272 7.222 1.413 1.00 0.00 N ATOM 714 CA LYS A 52 0.042 8.217 2.458 1.00 0.00 C ATOM 715 C LYS A 52 1.072 8.060 3.581 1.00 0.00 C ATOM 716 O LYS A 52 1.385 9.027 4.282 1.00 0.00 O ATOM 717 CB LYS A 52 -1.374 8.083 3.022 1.00 0.00 C ATOM 718 CG LYS A 52 -2.160 9.384 3.009 1.00 0.00 C ATOM 719 CD LYS A 52 -3.342 9.332 3.964 1.00 0.00 C ATOM 720 CE LYS A 52 -4.128 10.632 3.946 1.00 0.00 C ATOM 721 NZ LYS A 52 -5.027 10.754 5.128 1.00 0.00 N1+ ATOM 0 H LYS A 52 -0.140 6.310 1.613 1.00 0.00 H new ATOM 0 HA LYS A 52 0.151 9.208 2.018 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.917 7.335 2.445 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.315 7.714 4.046 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.504 10.209 3.286 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.516 9.585 1.999 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.997 8.505 3.689 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.986 9.134 4.975 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -3.436 11.474 3.927 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.720 10.686 3.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.545 11.654 5.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.704 9.964 5.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.460 10.729 5.999 1.00 0.00 H new ATOM 735 N LYS A 53 1.593 6.827 3.740 1.00 0.00 N ATOM 736 CA LYS A 53 2.600 6.514 4.763 1.00 0.00 C ATOM 737 C LYS A 53 3.520 5.395 4.278 1.00 0.00 C ATOM 738 O LYS A 53 3.166 4.641 3.368 1.00 0.00 O ATOM 739 CB LYS A 53 1.935 6.111 6.089 1.00 0.00 C ATOM 740 CG LYS A 53 2.602 6.714 7.326 1.00 0.00 C ATOM 741 CD LYS A 53 1.592 7.011 8.432 1.00 0.00 C ATOM 742 CE LYS A 53 1.129 8.462 8.393 1.00 0.00 C ATOM 743 NZ LYS A 53 -0.249 8.620 8.935 1.00 0.00 N1+ ATOM 0 H LYS A 53 1.327 6.028 3.165 1.00 0.00 H new ATOM 0 HA LYS A 53 3.193 7.412 4.937 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.889 6.417 6.067 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.948 5.024 6.175 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.359 6.026 7.702 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.117 7.634 7.048 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.731 6.351 8.326 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.041 6.797 9.402 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.819 9.079 8.969 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.159 8.825 7.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.527 9.621 8.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.912 8.052 8.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -0.272 8.298 9.923 1.00 0.00 H new ATOM 757 N VAL A 54 4.696 5.288 4.904 1.00 0.00 N ATOM 758 CA VAL A 54 5.689 4.272 4.533 1.00 0.00 C ATOM 759 C VAL A 54 6.295 3.617 5.779 1.00 0.00 C ATOM 760 O VAL A 54 6.651 4.295 6.747 1.00 0.00 O ATOM 761 CB VAL A 54 6.823 4.869 3.634 1.00 0.00 C ATOM 762 CG1 VAL A 54 7.953 3.869 3.384 1.00 0.00 C ATOM 763 CG2 VAL A 54 6.263 5.335 2.296 1.00 0.00 C ATOM 0 H VAL A 54 4.985 5.894 5.672 1.00 0.00 H new ATOM 0 HA VAL A 54 5.166 3.511 3.954 1.00 0.00 H new ATOM 0 HB VAL A 54 7.235 5.719 4.179 1.00 0.00 H new ATOM 0 HG11 VAL A 54 8.715 4.330 2.756 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.396 3.576 4.336 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.554 2.987 2.882 1.00 0.00 H new ATOM 0 HG21 VAL A 54 7.069 5.746 1.688 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.811 4.490 1.777 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.508 6.103 2.465 1.00 0.00 H new ATOM 773 N ASP A 55 6.397 2.289 5.719 1.00 0.00 N ATOM 774 CA ASP A 55 6.970 1.483 6.793 1.00 0.00 C ATOM 775 C ASP A 55 8.132 0.642 6.242 1.00 0.00 C ATOM 776 O ASP A 55 7.980 -0.552 5.955 1.00 0.00 O ATOM 777 CB ASP A 55 5.888 0.592 7.427 1.00 0.00 C ATOM 778 CG ASP A 55 5.177 1.278 8.577 1.00 0.00 C ATOM 779 OD1 ASP A 55 4.336 2.163 8.312 1.00 0.00 O ATOM 780 OD2 ASP A 55 5.461 0.931 9.742 1.00 0.00 O1- ATOM 0 H ASP A 55 6.082 1.741 4.919 1.00 0.00 H new ATOM 0 HA ASP A 55 7.358 2.139 7.572 1.00 0.00 H new ATOM 0 HB2 ASP A 55 5.159 0.314 6.666 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.344 -0.331 7.784 1.00 0.00 H new ATOM 785 N SER A 56 9.296 1.293 6.083 1.00 0.00 N ATOM 786 CA SER A 56 10.508 0.646 5.551 1.00 0.00 C ATOM 787 C SER A 56 11.165 -0.308 6.562 1.00 0.00 C ATOM 788 O SER A 56 12.103 -1.035 6.212 1.00 0.00 O ATOM 789 CB SER A 56 11.517 1.713 5.113 1.00 0.00 C ATOM 790 OG SER A 56 11.756 2.651 6.149 1.00 0.00 O ATOM 0 H SER A 56 9.424 2.277 6.318 1.00 0.00 H new ATOM 0 HA SER A 56 10.201 0.045 4.695 1.00 0.00 H new ATOM 0 HB2 SER A 56 12.454 1.235 4.828 1.00 0.00 H new ATOM 0 HB3 SER A 56 11.142 2.231 4.230 1.00 0.00 H new ATOM 0 HG SER A 56 12.405 3.319 5.843 1.00 0.00 H new ATOM 796 N ALA A 57 10.662 -0.308 7.803 1.00 0.00 N ATOM 797 CA ALA A 57 11.188 -1.172 8.864 1.00 0.00 C ATOM 798 C ALA A 57 10.540 -2.560 8.830 1.00 0.00 C ATOM 799 O ALA A 57 11.213 -3.570 9.053 1.00 0.00 O ATOM 800 CB ALA A 57 10.981 -0.519 10.223 1.00 0.00 C ATOM 0 H ALA A 57 9.886 0.285 8.097 1.00 0.00 H new ATOM 0 HA ALA A 57 12.256 -1.303 8.693 1.00 0.00 H new ATOM 0 HB1 ALA A 57 11.376 -1.170 11.003 1.00 0.00 H new ATOM 0 HB2 ALA A 57 11.503 0.438 10.250 1.00 0.00 H new ATOM 0 HB3 ALA A 57 9.916 -0.356 10.390 1.00 0.00 H new ATOM 806 N ARG A 58 9.231 -2.592 8.550 1.00 0.00 N ATOM 807 CA ARG A 58 8.473 -3.843 8.477 1.00 0.00 C ATOM 808 C ARG A 58 8.089 -4.189 7.023 1.00 0.00 C ATOM 809 O ARG A 58 7.317 -5.125 6.783 1.00 0.00 O ATOM 810 CB ARG A 58 7.222 -3.741 9.363 1.00 0.00 C ATOM 811 CG ARG A 58 6.813 -5.059 10.007 1.00 0.00 C ATOM 812 CD ARG A 58 5.575 -4.895 10.877 1.00 0.00 C ATOM 813 NE ARG A 58 4.670 -6.044 10.766 1.00 0.00 N ATOM 814 CZ ARG A 58 3.424 -6.087 11.261 1.00 0.00 C ATOM 815 NH1 ARG A 58 2.906 -5.048 11.916 1.00 0.00 N1+ ATOM 816 NH2 ARG A 58 2.693 -7.180 11.099 1.00 0.00 N ATOM 0 H ARG A 58 8.673 -1.757 8.369 1.00 0.00 H new ATOM 0 HA ARG A 58 9.106 -4.651 8.843 1.00 0.00 H new ATOM 0 HB2 ARG A 58 7.403 -3.006 10.147 1.00 0.00 H new ATOM 0 HB3 ARG A 58 6.392 -3.369 8.762 1.00 0.00 H new ATOM 0 HG2 ARG A 58 6.618 -5.799 9.231 1.00 0.00 H new ATOM 0 HG3 ARG A 58 7.636 -5.440 10.612 1.00 0.00 H new ATOM 0 HD2 ARG A 58 5.877 -4.770 11.917 1.00 0.00 H new ATOM 0 HD3 ARG A 58 5.046 -3.987 10.587 1.00 0.00 H new ATOM 0 HE ARG A 58 5.013 -6.871 10.277 1.00 0.00 H new ATOM 0 HH11 ARG A 58 3.459 -4.201 12.048 1.00 0.00 H new ATOM 0 HH12 ARG A 58 1.957 -5.100 12.285 1.00 0.00 H new ATOM 0 HH21 ARG A 58 3.078 -7.982 10.600 1.00 0.00 H new ATOM 0 HH22 ARG A 58 1.745 -7.219 11.473 1.00 0.00 H new ATOM 830 N GLU A 59 8.651 -3.432 6.051 1.00 0.00 N ATOM 831 CA GLU A 59 8.396 -3.625 4.599 1.00 0.00 C ATOM 832 C GLU A 59 6.902 -3.485 4.250 1.00 0.00 C ATOM 833 O GLU A 59 6.328 -4.306 3.523 1.00 0.00 O ATOM 834 CB GLU A 59 8.955 -4.980 4.111 1.00 0.00 C ATOM 835 CG GLU A 59 10.470 -5.002 3.969 1.00 0.00 C ATOM 836 CD GLU A 59 10.935 -4.572 2.591 1.00 0.00 C ATOM 837 OE1 GLU A 59 10.826 -5.382 1.648 1.00 0.00 O ATOM 838 OE2 GLU A 59 11.408 -3.424 2.456 1.00 0.00 O1- ATOM 0 H GLU A 59 9.296 -2.667 6.250 1.00 0.00 H new ATOM 0 HA GLU A 59 8.925 -2.830 4.073 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.653 -5.760 4.810 1.00 0.00 H new ATOM 0 HB3 GLU A 59 8.505 -5.223 3.148 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.911 -4.344 4.718 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.835 -6.008 4.174 1.00 0.00 H new ATOM 845 N VAL A 60 6.291 -2.419 4.779 1.00 0.00 N ATOM 846 CA VAL A 60 4.869 -2.125 4.549 1.00 0.00 C ATOM 847 C VAL A 60 4.692 -0.628 4.236 1.00 0.00 C ATOM 848 O VAL A 60 5.615 0.160 4.441 1.00 0.00 O ATOM 849 CB VAL A 60 3.978 -2.513 5.778 1.00 0.00 C ATOM 850 CG1 VAL A 60 2.513 -2.665 5.388 1.00 0.00 C ATOM 851 CG2 VAL A 60 4.460 -3.791 6.461 1.00 0.00 C ATOM 0 H VAL A 60 6.763 -1.739 5.375 1.00 0.00 H new ATOM 0 HA VAL A 60 4.543 -2.728 3.701 1.00 0.00 H new ATOM 0 HB VAL A 60 4.070 -1.690 6.487 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.928 -2.934 6.268 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.145 -1.723 4.982 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.416 -3.447 4.635 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.811 -4.019 7.307 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.432 -4.616 5.750 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.481 -3.651 6.815 1.00 0.00 H new ATOM 861 N CYS A 61 3.514 -0.257 3.706 1.00 0.00 N ATOM 862 CA CYS A 61 3.197 1.142 3.371 1.00 0.00 C ATOM 863 C CYS A 61 1.697 1.372 3.367 1.00 0.00 C ATOM 864 O CYS A 61 0.926 0.491 2.975 1.00 0.00 O ATOM 865 CB CYS A 61 3.762 1.535 2.000 1.00 0.00 C ATOM 866 SG CYS A 61 5.501 2.024 2.044 1.00 0.00 S ATOM 0 H CYS A 61 2.760 -0.912 3.499 1.00 0.00 H new ATOM 0 HA CYS A 61 3.661 1.763 4.137 1.00 0.00 H new ATOM 0 HB2 CYS A 61 3.647 0.695 1.315 1.00 0.00 H new ATOM 0 HB3 CYS A 61 3.172 2.358 1.596 1.00 0.00 H new ATOM 0 HG CYS A 61 6.238 1.047 1.606 1.00 0.00 H new ATOM 872 N LEU A 62 1.292 2.565 3.809 1.00 0.00 N ATOM 873 CA LEU A 62 -0.115 2.948 3.834 1.00 0.00 C ATOM 874 C LEU A 62 -0.429 3.748 2.587 1.00 0.00 C ATOM 875 O LEU A 62 0.336 4.638 2.208 1.00 0.00 O ATOM 876 CB LEU A 62 -0.463 3.774 5.082 1.00 0.00 C ATOM 877 CG LEU A 62 -1.814 3.463 5.780 1.00 0.00 C ATOM 878 CD1 LEU A 62 -2.949 3.206 4.781 1.00 0.00 C ATOM 879 CD2 LEU A 62 -1.663 2.286 6.733 1.00 0.00 C ATOM 0 H LEU A 62 1.926 3.284 4.156 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.716 2.039 3.866 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.335 3.637 5.812 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.461 4.827 4.802 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.089 4.351 6.349 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.870 2.994 5.324 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.091 4.088 4.157 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.694 2.353 4.152 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.620 2.082 7.214 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.342 1.406 6.176 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.919 2.526 7.493 1.00 0.00 H new ATOM 891 N VAL A 63 -1.548 3.421 1.950 1.00 0.00 N ATOM 892 CA VAL A 63 -1.949 4.087 0.717 1.00 0.00 C ATOM 893 C VAL A 63 -3.450 4.388 0.702 1.00 0.00 C ATOM 894 O VAL A 63 -4.262 3.605 1.206 1.00 0.00 O ATOM 895 CB VAL A 63 -1.532 3.247 -0.551 1.00 0.00 C ATOM 896 CG1 VAL A 63 -0.946 1.892 -0.178 1.00 0.00 C ATOM 897 CG2 VAL A 63 -2.684 3.053 -1.525 1.00 0.00 C ATOM 0 H VAL A 63 -2.194 2.698 2.268 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.420 5.039 0.678 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.759 3.835 -1.047 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.674 1.351 -1.084 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.059 2.037 0.438 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.685 1.317 0.380 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.343 2.469 -2.380 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.497 2.526 -1.026 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.038 4.025 -1.868 1.00 0.00 H new ATOM 907 N GLN A 64 -3.789 5.541 0.112 1.00 0.00 N ATOM 908 CA GLN A 64 -5.179 5.966 -0.051 1.00 0.00 C ATOM 909 C GLN A 64 -5.663 5.445 -1.406 1.00 0.00 C ATOM 910 O GLN A 64 -4.885 5.413 -2.363 1.00 0.00 O ATOM 911 CB GLN A 64 -5.305 7.496 0.023 1.00 0.00 C ATOM 912 CG GLN A 64 -6.714 7.995 0.353 1.00 0.00 C ATOM 913 CD GLN A 64 -6.742 8.909 1.564 1.00 0.00 C ATOM 914 OE1 GLN A 64 -6.150 9.989 1.556 1.00 0.00 O ATOM 915 NE2 GLN A 64 -7.433 8.478 2.613 1.00 0.00 N ATOM 0 H GLN A 64 -3.108 6.201 -0.263 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.792 5.562 0.755 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -4.613 7.870 0.778 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -4.996 7.921 -0.932 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -7.118 8.527 -0.508 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -7.365 7.140 0.533 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -7.908 7.576 2.575 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -7.489 9.049 3.456 1.00 0.00 H new ATOM 924 N PHE A 65 -6.930 5.060 -1.494 1.00 0.00 N ATOM 925 CA PHE A 65 -7.455 4.477 -2.722 1.00 0.00 C ATOM 926 C PHE A 65 -8.505 5.341 -3.429 1.00 0.00 C ATOM 927 O PHE A 65 -8.948 6.364 -2.901 1.00 0.00 O ATOM 928 CB PHE A 65 -7.990 3.088 -2.383 1.00 0.00 C ATOM 929 CG PHE A 65 -6.891 2.140 -1.982 1.00 0.00 C ATOM 930 CD1 PHE A 65 -6.401 2.109 -0.683 1.00 0.00 C ATOM 931 CD2 PHE A 65 -6.335 1.303 -2.916 1.00 0.00 C ATOM 932 CE1 PHE A 65 -5.379 1.248 -0.337 1.00 0.00 C ATOM 933 CE2 PHE A 65 -5.315 0.440 -2.578 1.00 0.00 C ATOM 934 CZ PHE A 65 -4.837 0.412 -1.289 1.00 0.00 C ATOM 0 H PHE A 65 -7.608 5.140 -0.736 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.644 4.412 -3.447 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -8.714 3.167 -1.572 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -8.520 2.684 -3.245 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.824 2.765 0.064 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -6.702 1.321 -3.932 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -5.006 1.230 0.676 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -4.891 -0.214 -3.325 1.00 0.00 H new ATOM 0 HZ PHE A 65 -4.038 -0.264 -1.023 1.00 0.00 H new ATOM 944 N GLU A 66 -8.890 4.891 -4.644 1.00 0.00 N ATOM 945 CA GLU A 66 -9.862 5.576 -5.513 1.00 0.00 C ATOM 946 C GLU A 66 -11.201 5.847 -4.818 1.00 0.00 C ATOM 947 O GLU A 66 -11.735 6.957 -4.913 1.00 0.00 O ATOM 948 CB GLU A 66 -10.096 4.731 -6.769 1.00 0.00 C ATOM 949 CG GLU A 66 -10.423 5.546 -8.015 1.00 0.00 C ATOM 950 CD GLU A 66 -9.184 6.031 -8.750 1.00 0.00 C ATOM 951 OE1 GLU A 66 -8.402 5.181 -9.229 1.00 0.00 O ATOM 952 OE2 GLU A 66 -9.002 7.263 -8.851 1.00 0.00 O1- ATOM 0 H GLU A 66 -8.527 4.029 -5.051 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.439 6.547 -5.771 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.206 4.133 -6.963 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -10.913 4.035 -6.579 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -11.026 4.940 -8.691 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -11.030 6.406 -7.731 1.00 0.00 H new ATOM 959 N ASP A 67 -11.734 4.835 -4.122 1.00 0.00 N ATOM 960 CA ASP A 67 -13.014 4.972 -3.428 1.00 0.00 C ATOM 961 C ASP A 67 -12.820 5.503 -1.986 1.00 0.00 C ATOM 962 O ASP A 67 -13.563 5.141 -1.065 1.00 0.00 O ATOM 963 CB ASP A 67 -13.754 3.619 -3.478 1.00 0.00 C ATOM 964 CG ASP A 67 -15.199 3.690 -3.003 1.00 0.00 C ATOM 965 OD1 ASP A 67 -15.972 4.496 -3.563 1.00 0.00 O ATOM 966 OD2 ASP A 67 -15.554 2.937 -2.072 1.00 0.00 O1- ATOM 0 H ASP A 67 -11.299 3.918 -4.027 1.00 0.00 H new ATOM 0 HA ASP A 67 -13.632 5.716 -3.931 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -13.736 3.243 -4.501 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -13.215 2.898 -2.864 1.00 0.00 H new ATOM 971 N ASP A 68 -11.808 6.392 -1.815 1.00 0.00 N ATOM 972 CA ASP A 68 -11.474 7.033 -0.519 1.00 0.00 C ATOM 973 C ASP A 68 -11.328 6.011 0.620 1.00 0.00 C ATOM 974 O ASP A 68 -12.020 6.083 1.645 1.00 0.00 O ATOM 975 CB ASP A 68 -12.512 8.116 -0.161 1.00 0.00 C ATOM 976 CG ASP A 68 -12.164 9.468 -0.751 1.00 0.00 C ATOM 977 OD1 ASP A 68 -12.520 9.714 -1.923 1.00 0.00 O1- ATOM 978 OD2 ASP A 68 -11.533 10.281 -0.043 1.00 0.00 O ATOM 0 H ASP A 68 -11.198 6.685 -2.578 1.00 0.00 H new ATOM 0 HA ASP A 68 -10.502 7.511 -0.640 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -13.494 7.808 -0.521 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -12.583 8.203 0.923 1.00 0.00 H new ATOM 983 N SER A 69 -10.418 5.057 0.420 1.00 0.00 N ATOM 984 CA SER A 69 -10.167 4.011 1.404 1.00 0.00 C ATOM 985 C SER A 69 -8.713 4.002 1.845 1.00 0.00 C ATOM 986 O SER A 69 -7.805 4.036 1.010 1.00 0.00 O ATOM 987 CB SER A 69 -10.532 2.637 0.827 1.00 0.00 C ATOM 988 OG SER A 69 -10.928 1.743 1.854 1.00 0.00 O ATOM 0 H SER A 69 -9.842 4.990 -0.419 1.00 0.00 H new ATOM 0 HA SER A 69 -10.791 4.221 2.272 1.00 0.00 H new ATOM 0 HB2 SER A 69 -11.340 2.746 0.103 1.00 0.00 H new ATOM 0 HB3 SER A 69 -9.677 2.225 0.291 1.00 0.00 H new ATOM 0 HG SER A 69 -10.155 1.217 2.146 1.00 0.00 H new ATOM 994 N GLN A 70 -8.502 3.979 3.165 1.00 0.00 N ATOM 995 CA GLN A 70 -7.159 3.908 3.730 1.00 0.00 C ATOM 996 C GLN A 70 -6.873 2.449 4.066 1.00 0.00 C ATOM 997 O GLN A 70 -7.224 1.955 5.146 1.00 0.00 O ATOM 998 CB GLN A 70 -7.025 4.803 4.972 1.00 0.00 C ATOM 999 CG GLN A 70 -6.344 6.139 4.700 1.00 0.00 C ATOM 1000 CD GLN A 70 -4.832 6.030 4.604 1.00 0.00 C ATOM 1001 OE1 GLN A 70 -4.138 5.953 5.618 1.00 0.00 O ATOM 1002 NE2 GLN A 70 -4.315 6.025 3.381 1.00 0.00 N ATOM 0 H GLN A 70 -9.248 4.009 3.860 1.00 0.00 H new ATOM 0 HA GLN A 70 -6.431 4.276 3.007 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -8.018 4.989 5.382 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -6.460 4.267 5.735 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -6.732 6.555 3.770 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -6.602 6.840 5.494 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -4.928 6.091 2.568 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -3.305 5.955 3.254 1.00 0.00 H new ATOM 1011 N PHE A 71 -6.244 1.766 3.113 1.00 0.00 N ATOM 1012 CA PHE A 71 -5.951 0.347 3.244 1.00 0.00 C ATOM 1013 C PHE A 71 -4.449 0.093 3.227 1.00 0.00 C ATOM 1014 O PHE A 71 -3.751 0.484 2.285 1.00 0.00 O ATOM 1015 CB PHE A 71 -6.662 -0.403 2.099 1.00 0.00 C ATOM 1016 CG PHE A 71 -8.044 -0.960 2.410 1.00 0.00 C ATOM 1017 CD1 PHE A 71 -8.775 -0.580 3.539 1.00 0.00 C ATOM 1018 CD2 PHE A 71 -8.619 -1.872 1.539 1.00 0.00 C ATOM 1019 CE1 PHE A 71 -10.031 -1.103 3.781 1.00 0.00 C ATOM 1020 CE2 PHE A 71 -9.875 -2.396 1.780 1.00 0.00 C ATOM 1021 CZ PHE A 71 -10.581 -2.012 2.902 1.00 0.00 C ATOM 0 H PHE A 71 -5.926 2.179 2.236 1.00 0.00 H new ATOM 0 HA PHE A 71 -6.319 -0.019 4.203 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.750 0.275 1.250 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -6.024 -1.229 1.783 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -8.352 0.132 4.232 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -8.076 -2.178 0.657 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -10.582 -0.800 4.659 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -10.304 -3.107 1.090 1.00 0.00 H new ATOM 0 HZ PHE A 71 -11.562 -2.422 3.091 1.00 0.00 H new ATOM 1031 N LEU A 72 -3.962 -0.567 4.291 1.00 0.00 N ATOM 1032 CA LEU A 72 -2.536 -0.891 4.442 1.00 0.00 C ATOM 1033 C LEU A 72 -2.141 -2.025 3.510 1.00 0.00 C ATOM 1034 O LEU A 72 -2.831 -3.044 3.419 1.00 0.00 O ATOM 1035 CB LEU A 72 -2.152 -1.284 5.899 1.00 0.00 C ATOM 1036 CG LEU A 72 -3.243 -1.868 6.834 1.00 0.00 C ATOM 1037 CD1 LEU A 72 -4.259 -0.803 7.214 1.00 0.00 C ATOM 1038 CD2 LEU A 72 -3.934 -3.088 6.222 1.00 0.00 C ATOM 0 H LEU A 72 -4.543 -0.889 5.065 1.00 0.00 H new ATOM 0 HA LEU A 72 -1.994 0.019 4.185 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.344 -2.013 5.841 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.745 -0.396 6.383 1.00 0.00 H new ATOM 0 HG LEU A 72 -2.741 -2.205 7.741 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.013 -1.237 7.870 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.755 0.013 7.732 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.739 -0.420 6.313 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.690 -3.462 6.912 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -4.409 -2.804 5.283 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -3.196 -3.868 6.034 1.00 0.00 H new ATOM 1050 N VAL A 73 -1.031 -1.824 2.820 1.00 0.00 N ATOM 1051 CA VAL A 73 -0.518 -2.823 1.873 1.00 0.00 C ATOM 1052 C VAL A 73 0.969 -3.072 2.070 1.00 0.00 C ATOM 1053 O VAL A 73 1.713 -2.181 2.487 1.00 0.00 O ATOM 1054 CB VAL A 73 -0.744 -2.441 0.379 1.00 0.00 C ATOM 1055 CG1 VAL A 73 -0.990 -3.692 -0.464 1.00 0.00 C ATOM 1056 CG2 VAL A 73 -1.882 -1.433 0.207 1.00 0.00 C ATOM 0 H VAL A 73 -0.461 -0.981 2.892 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.091 -3.724 2.091 1.00 0.00 H new ATOM 0 HB VAL A 73 0.166 -1.956 0.026 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.146 -3.405 -1.504 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.126 -4.353 -0.395 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.874 -4.212 -0.095 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.002 -1.197 -0.850 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.808 -1.861 0.591 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -1.647 -0.522 0.758 1.00 0.00 H new ATOM 1066 N LEU A 74 1.381 -4.303 1.750 1.00 0.00 N ATOM 1067 CA LEU A 74 2.774 -4.716 1.856 1.00 0.00 C ATOM 1068 C LEU A 74 3.494 -4.513 0.538 1.00 0.00 C ATOM 1069 O LEU A 74 2.886 -4.595 -0.532 1.00 0.00 O ATOM 1070 CB LEU A 74 2.873 -6.186 2.268 1.00 0.00 C ATOM 1071 CG LEU A 74 3.536 -6.439 3.621 1.00 0.00 C ATOM 1072 CD1 LEU A 74 2.518 -6.290 4.735 1.00 0.00 C ATOM 1073 CD2 LEU A 74 4.175 -7.819 3.661 1.00 0.00 C ATOM 0 H LEU A 74 0.756 -5.035 1.412 1.00 0.00 H new ATOM 0 HA LEU A 74 3.247 -4.099 2.620 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.869 -6.609 2.289 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.430 -6.725 1.502 1.00 0.00 H new ATOM 0 HG LEU A 74 4.324 -5.699 3.764 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.000 -6.472 5.695 1.00 0.00 H new ATOM 0 HD12 LEU A 74 2.108 -5.280 4.721 1.00 0.00 H new ATOM 0 HD13 LEU A 74 1.713 -7.010 4.591 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.641 -7.976 4.634 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.411 -8.579 3.497 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.932 -7.892 2.880 1.00 0.00 H new ATOM 1085 N TRP A 75 4.805 -4.273 0.628 1.00 0.00 N ATOM 1086 CA TRP A 75 5.661 -4.051 -0.550 1.00 0.00 C ATOM 1087 C TRP A 75 5.644 -5.251 -1.518 1.00 0.00 C ATOM 1088 O TRP A 75 6.094 -5.131 -2.661 1.00 0.00 O ATOM 1089 CB TRP A 75 7.105 -3.729 -0.115 1.00 0.00 C ATOM 1090 CG TRP A 75 7.262 -2.451 0.692 1.00 0.00 C ATOM 1091 CD1 TRP A 75 6.307 -1.815 1.447 1.00 0.00 C ATOM 1092 CD2 TRP A 75 8.459 -1.664 0.833 1.00 0.00 C ATOM 1093 NE1 TRP A 75 6.831 -0.692 2.027 1.00 0.00 N ATOM 1094 CE2 TRP A 75 8.147 -0.576 1.671 1.00 0.00 C ATOM 1095 CE3 TRP A 75 9.764 -1.769 0.331 1.00 0.00 C ATOM 1096 CZ2 TRP A 75 9.083 0.391 2.020 1.00 0.00 C ATOM 1097 CZ3 TRP A 75 10.692 -0.805 0.680 1.00 0.00 C ATOM 1098 CH2 TRP A 75 10.347 0.263 1.518 1.00 0.00 C ATOM 0 H TRP A 75 5.306 -4.226 1.515 1.00 0.00 H new ATOM 0 HA TRP A 75 5.252 -3.196 -1.089 1.00 0.00 H new ATOM 0 HB2 TRP A 75 7.485 -4.563 0.475 1.00 0.00 H new ATOM 0 HB3 TRP A 75 7.730 -3.658 -1.005 1.00 0.00 H new ATOM 0 HD1 TRP A 75 5.288 -2.153 1.566 1.00 0.00 H new ATOM 0 HE1 TRP A 75 6.322 -0.045 2.629 1.00 0.00 H new ATOM 0 HE3 TRP A 75 10.039 -2.588 -0.317 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 8.820 1.215 2.666 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 11.700 -0.877 0.300 1.00 0.00 H new ATOM 0 HH2 TRP A 75 11.095 1.000 1.772 1.00 0.00 H new ATOM 1109 N LYS A 76 5.121 -6.401 -1.047 1.00 0.00 N ATOM 1110 CA LYS A 76 5.024 -7.618 -1.874 1.00 0.00 C ATOM 1111 C LYS A 76 3.782 -7.580 -2.786 1.00 0.00 C ATOM 1112 O LYS A 76 3.835 -8.027 -3.935 1.00 0.00 O ATOM 1113 CB LYS A 76 5.012 -8.893 -0.998 1.00 0.00 C ATOM 1114 CG LYS A 76 3.928 -8.931 0.088 1.00 0.00 C ATOM 1115 CD LYS A 76 3.280 -10.303 0.199 1.00 0.00 C ATOM 1116 CE LYS A 76 2.010 -10.248 1.037 1.00 0.00 C ATOM 1117 NZ LYS A 76 1.810 -11.495 1.826 1.00 0.00 N1+ ATOM 0 H LYS A 76 4.760 -6.511 -0.099 1.00 0.00 H new ATOM 0 HA LYS A 76 5.910 -7.649 -2.508 1.00 0.00 H new ATOM 0 HB2 LYS A 76 4.883 -9.759 -1.647 1.00 0.00 H new ATOM 0 HB3 LYS A 76 5.986 -8.995 -0.520 1.00 0.00 H new ATOM 0 HG2 LYS A 76 4.367 -8.659 1.048 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.164 -8.186 -0.136 1.00 0.00 H new ATOM 0 HD2 LYS A 76 3.045 -10.678 -0.797 1.00 0.00 H new ATOM 0 HD3 LYS A 76 3.984 -11.005 0.647 1.00 0.00 H new ATOM 0 HE2 LYS A 76 2.058 -9.395 1.713 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.151 -10.090 0.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 0.935 -11.417 2.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 1.738 -12.307 1.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 2.617 -11.633 2.467 1.00 0.00 H new ATOM 1131 N ASP A 77 2.676 -7.040 -2.251 1.00 0.00 N ATOM 1132 CA ASP A 77 1.409 -6.928 -2.988 1.00 0.00 C ATOM 1133 C ASP A 77 1.284 -5.582 -3.714 1.00 0.00 C ATOM 1134 O ASP A 77 0.262 -5.310 -4.357 1.00 0.00 O ATOM 1135 CB ASP A 77 0.230 -7.100 -2.025 1.00 0.00 C ATOM 1136 CG ASP A 77 -0.340 -8.503 -2.052 1.00 0.00 C ATOM 1137 OD1 ASP A 77 0.364 -9.438 -1.615 1.00 0.00 O1- ATOM 1138 OD2 ASP A 77 -1.491 -8.668 -2.507 1.00 0.00 O ATOM 0 H ASP A 77 2.635 -6.671 -1.301 1.00 0.00 H new ATOM 0 HA ASP A 77 1.397 -7.717 -3.740 1.00 0.00 H new ATOM 0 HB2 ASP A 77 0.555 -6.862 -1.012 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -0.553 -6.388 -2.284 1.00 0.00 H new ATOM 1143 N ILE A 78 2.330 -4.755 -3.624 1.00 0.00 N ATOM 1144 CA ILE A 78 2.325 -3.434 -4.250 1.00 0.00 C ATOM 1145 C ILE A 78 3.124 -3.423 -5.558 1.00 0.00 C ATOM 1146 O ILE A 78 4.205 -4.013 -5.651 1.00 0.00 O ATOM 1147 CB ILE A 78 2.856 -2.345 -3.270 1.00 0.00 C ATOM 1148 CG1 ILE A 78 1.897 -2.225 -2.072 1.00 0.00 C ATOM 1149 CG2 ILE A 78 3.008 -0.989 -3.969 1.00 0.00 C ATOM 1150 CD1 ILE A 78 2.495 -1.564 -0.852 1.00 0.00 C ATOM 0 H ILE A 78 3.190 -4.979 -3.123 1.00 0.00 H new ATOM 0 HA ILE A 78 1.289 -3.197 -4.494 1.00 0.00 H new ATOM 0 HB ILE A 78 3.843 -2.646 -2.920 1.00 0.00 H new ATOM 0 HG12 ILE A 78 1.018 -1.659 -2.382 1.00 0.00 H new ATOM 0 HG13 ILE A 78 1.553 -3.222 -1.797 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.380 -0.252 -3.257 1.00 0.00 H new ATOM 0 HG22 ILE A 78 3.712 -1.083 -4.796 1.00 0.00 H new ATOM 0 HG23 ILE A 78 2.040 -0.667 -4.352 1.00 0.00 H new ATOM 0 HD11 ILE A 78 1.749 -1.522 -0.058 1.00 0.00 H new ATOM 0 HD12 ILE A 78 3.356 -2.140 -0.511 1.00 0.00 H new ATOM 0 HD13 ILE A 78 2.812 -0.552 -1.105 1.00 0.00 H new ATOM 1162 N SER A 79 2.557 -2.738 -6.558 1.00 0.00 N ATOM 1163 CA SER A 79 3.171 -2.585 -7.873 1.00 0.00 C ATOM 1164 C SER A 79 3.120 -1.104 -8.290 1.00 0.00 C ATOM 1165 O SER A 79 2.037 -0.594 -8.589 1.00 0.00 O ATOM 1166 CB SER A 79 2.446 -3.458 -8.911 1.00 0.00 C ATOM 1167 OG SER A 79 3.373 -4.159 -9.723 1.00 0.00 O ATOM 0 H SER A 79 1.653 -2.273 -6.472 1.00 0.00 H new ATOM 0 HA SER A 79 4.210 -2.910 -7.823 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.794 -4.168 -8.402 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.810 -2.832 -9.537 1.00 0.00 H new ATOM 0 HG SER A 79 2.888 -4.708 -10.374 1.00 0.00 H new ATOM 1173 N PRO A 80 4.276 -0.363 -8.299 1.00 0.00 N ATOM 1174 CA PRO A 80 4.298 1.068 -8.686 1.00 0.00 C ATOM 1175 C PRO A 80 3.643 1.333 -10.049 1.00 0.00 C ATOM 1176 O PRO A 80 4.043 0.762 -11.070 1.00 0.00 O ATOM 1177 CB PRO A 80 5.792 1.405 -8.722 1.00 0.00 C ATOM 1178 CG PRO A 80 6.406 0.450 -7.762 1.00 0.00 C ATOM 1179 CD PRO A 80 5.633 -0.831 -7.914 1.00 0.00 C ATOM 0 HA PRO A 80 3.726 1.681 -7.990 1.00 0.00 H new ATOM 0 HB2 PRO A 80 6.204 1.282 -9.724 1.00 0.00 H new ATOM 0 HB3 PRO A 80 5.974 2.438 -8.427 1.00 0.00 H new ATOM 0 HG2 PRO A 80 7.463 0.298 -7.982 1.00 0.00 H new ATOM 0 HG3 PRO A 80 6.344 0.826 -6.741 1.00 0.00 H new ATOM 0 HD2 PRO A 80 6.068 -1.476 -8.677 1.00 0.00 H new ATOM 0 HD3 PRO A 80 5.614 -1.403 -6.986 1.00 0.00 H new ATOM 1187 N ALA A 81 2.623 2.204 -10.036 1.00 0.00 N ATOM 1188 CA ALA A 81 1.869 2.568 -11.240 1.00 0.00 C ATOM 1189 C ALA A 81 2.652 3.529 -12.136 1.00 0.00 C ATOM 1190 O ALA A 81 3.063 4.610 -11.696 1.00 0.00 O ATOM 1191 CB ALA A 81 0.531 3.183 -10.847 1.00 0.00 C ATOM 0 H ALA A 81 2.300 2.674 -9.191 1.00 0.00 H new ATOM 0 HA ALA A 81 1.697 1.657 -11.813 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -0.024 3.451 -11.746 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.044 2.462 -10.267 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.703 4.076 -10.247 1.00 0.00 H new