USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 412 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 57 ASN : amide:sc= -9.75! C(o=-8.6!,f=-19!) USER MOD Set 1.2: A 84 SER OG : rot -84:sc= 1.13 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -3.02! C(o=-3!,f=-4.1!) USER MOD Single : A 37 THR OG1 : rot -112:sc= 0.454! USER MOD Single : A 42 SER OG : rot 4:sc= 1.76! USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -12! C(o=-12!,f=-26!) USER MOD Single : A 53 HIS : no HD1:sc= -0.284 X(o=-0.28,f=-0.23) USER MOD Single : A 58 GLN : amide:sc= -0.0231 X(o=-0.023,f=0) USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 39:sc= -0.281 USER MOD Single : A 71 THR OG1 : rot -170:sc= -1.21 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -1.63! C(o=-1.6!,f=-5.3!) USER MOD Single : A 85 THR OG1 : rot -21:sc= -6.55! USER MOD ----------------------------------------------------------------- ATOM 264 N CYS A 17 5.843 2.976 -2.394 1.00 0.00 N ATOM 265 CA CYS A 17 6.806 2.244 -3.271 1.00 0.00 C ATOM 266 C CYS A 17 6.049 1.255 -4.157 1.00 0.00 C ATOM 267 O CYS A 17 6.464 0.129 -4.346 1.00 0.00 O ATOM 268 CB CYS A 17 7.802 1.481 -2.413 1.00 0.00 C ATOM 269 SG CYS A 17 8.701 2.645 -1.361 1.00 0.00 S ATOM 0 HA CYS A 17 7.335 2.964 -3.895 1.00 0.00 H new ATOM 0 HB2 CYS A 17 7.282 0.745 -1.799 1.00 0.00 H new ATOM 0 HB3 CYS A 17 8.499 0.932 -3.046 1.00 0.00 H new ATOM 274 N LEU A 18 4.941 1.668 -4.694 1.00 0.00 N ATOM 275 CA LEU A 18 4.141 0.763 -5.564 1.00 0.00 C ATOM 276 C LEU A 18 4.716 0.751 -6.970 1.00 0.00 C ATOM 277 O LEU A 18 4.457 -0.135 -7.760 1.00 0.00 O ATOM 278 CB LEU A 18 2.705 1.261 -5.624 1.00 0.00 C ATOM 279 CG LEU A 18 1.762 0.069 -5.575 1.00 0.00 C ATOM 280 CD1 LEU A 18 0.647 0.371 -4.586 1.00 0.00 C ATOM 281 CD2 LEU A 18 1.167 -0.175 -6.963 1.00 0.00 C ATOM 0 H LEU A 18 4.550 2.601 -4.568 1.00 0.00 H new ATOM 0 HA LEU A 18 4.172 -0.245 -5.150 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.505 1.933 -4.790 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.543 1.831 -6.539 1.00 0.00 H new ATOM 0 HG LEU A 18 2.306 -0.822 -5.262 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.038 -0.476 -4.540 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.074 0.546 -3.599 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.104 1.259 -4.909 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.492 -1.030 -6.924 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.615 0.709 -7.283 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.969 -0.378 -7.672 1.00 0.00 H new ATOM 327 N ALA A 21 9.501 3.469 -7.216 1.00 0.00 N ATOM 328 CA ALA A 21 9.969 4.133 -5.968 1.00 0.00 C ATOM 329 C ALA A 21 10.840 3.153 -5.201 1.00 0.00 C ATOM 330 O ALA A 21 11.975 3.426 -4.863 1.00 0.00 O ATOM 331 CB ALA A 21 8.765 4.533 -5.113 1.00 0.00 C ATOM 0 HA ALA A 21 10.539 5.029 -6.212 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.112 5.018 -4.201 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.134 5.222 -5.674 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.191 3.643 -4.855 1.00 0.00 H new ATOM 337 N CYS A 22 10.307 2.006 -4.950 1.00 0.00 N ATOM 338 CA CYS A 22 11.068 0.955 -4.227 1.00 0.00 C ATOM 339 C CYS A 22 10.552 -0.418 -4.658 1.00 0.00 C ATOM 340 O CYS A 22 9.779 -0.540 -5.587 1.00 0.00 O ATOM 341 CB CYS A 22 10.896 1.097 -2.712 1.00 0.00 C ATOM 342 SG CYS A 22 10.497 2.806 -2.266 1.00 0.00 S ATOM 0 H CYS A 22 9.359 1.741 -5.217 1.00 0.00 H new ATOM 0 HA CYS A 22 12.125 1.062 -4.469 1.00 0.00 H new ATOM 0 HB2 CYS A 22 10.104 0.432 -2.368 1.00 0.00 H new ATOM 0 HB3 CYS A 22 11.812 0.789 -2.207 1.00 0.00 H new ATOM 347 N SER A 23 10.971 -1.448 -3.985 1.00 0.00 N ATOM 348 CA SER A 23 10.510 -2.817 -4.341 1.00 0.00 C ATOM 349 C SER A 23 11.082 -3.801 -3.325 1.00 0.00 C ATOM 350 O SER A 23 10.450 -4.772 -2.955 1.00 0.00 O ATOM 351 CB SER A 23 11.003 -3.180 -5.742 1.00 0.00 C ATOM 352 OG SER A 23 12.409 -2.984 -5.810 1.00 0.00 O ATOM 0 H SER A 23 11.618 -1.402 -3.198 1.00 0.00 H new ATOM 0 HA SER A 23 9.421 -2.858 -4.329 1.00 0.00 H new ATOM 0 HB2 SER A 23 10.757 -4.217 -5.969 1.00 0.00 H new ATOM 0 HB3 SER A 23 10.502 -2.563 -6.488 1.00 0.00 H new ATOM 0 HG SER A 23 12.729 -3.217 -6.706 1.00 0.00 H new ATOM 358 N LEU A 24 12.275 -3.548 -2.867 1.00 0.00 N ATOM 359 CA LEU A 24 12.903 -4.451 -1.867 1.00 0.00 C ATOM 360 C LEU A 24 14.103 -3.743 -1.240 1.00 0.00 C ATOM 361 O LEU A 24 14.372 -3.882 -0.066 1.00 0.00 O ATOM 362 CB LEU A 24 13.371 -5.735 -2.557 1.00 0.00 C ATOM 363 CG LEU A 24 13.406 -6.882 -1.546 1.00 0.00 C ATOM 364 CD1 LEU A 24 14.361 -6.531 -0.404 1.00 0.00 C ATOM 365 CD2 LEU A 24 12.001 -7.108 -0.985 1.00 0.00 C ATOM 0 H LEU A 24 12.845 -2.749 -3.145 1.00 0.00 H new ATOM 0 HA LEU A 24 12.178 -4.703 -1.093 1.00 0.00 H new ATOM 0 HB2 LEU A 24 12.699 -5.983 -3.379 1.00 0.00 H new ATOM 0 HB3 LEU A 24 14.361 -5.587 -2.988 1.00 0.00 H new ATOM 0 HG LEU A 24 13.752 -7.790 -2.040 1.00 0.00 H new ATOM 0 HD11 LEU A 24 14.384 -7.350 0.315 1.00 0.00 H new ATOM 0 HD12 LEU A 24 15.362 -6.370 -0.803 1.00 0.00 H new ATOM 0 HD13 LEU A 24 14.018 -5.623 0.091 1.00 0.00 H new ATOM 0 HD21 LEU A 24 12.024 -7.925 -0.264 1.00 0.00 H new ATOM 0 HD22 LEU A 24 11.655 -6.199 -0.492 1.00 0.00 H new ATOM 0 HD23 LEU A 24 11.321 -7.361 -1.798 1.00 0.00 H new ATOM 411 N ALA A 27 12.239 -0.512 0.440 1.00 0.00 N ATOM 412 CA ALA A 27 11.091 -1.019 1.249 1.00 0.00 C ATOM 413 C ALA A 27 11.495 -2.270 2.032 1.00 0.00 C ATOM 414 O ALA A 27 10.850 -3.298 1.961 1.00 0.00 O ATOM 415 CB ALA A 27 9.893 -1.330 0.335 1.00 0.00 C ATOM 0 HA ALA A 27 10.802 -0.245 1.960 1.00 0.00 H new ATOM 0 HB1 ALA A 27 9.062 -1.699 0.937 1.00 0.00 H new ATOM 0 HB2 ALA A 27 9.588 -0.423 -0.187 1.00 0.00 H new ATOM 0 HB3 ALA A 27 10.178 -2.089 -0.393 1.00 0.00 H new ATOM 421 N ARG A 28 12.533 -2.174 2.809 1.00 0.00 N ATOM 422 CA ARG A 28 12.971 -3.317 3.638 1.00 0.00 C ATOM 423 C ARG A 28 13.694 -2.731 4.840 1.00 0.00 C ATOM 424 O ARG A 28 14.632 -1.975 4.710 1.00 0.00 O ATOM 425 CB ARG A 28 13.898 -4.251 2.848 1.00 0.00 C ATOM 426 CG ARG A 28 15.166 -3.510 2.419 1.00 0.00 C ATOM 427 CD ARG A 28 16.194 -4.512 1.914 1.00 0.00 C ATOM 428 NE ARG A 28 17.523 -3.847 1.810 1.00 0.00 N ATOM 429 CZ ARG A 28 18.608 -4.563 1.687 1.00 0.00 C ATOM 430 NH1 ARG A 28 18.536 -5.866 1.645 1.00 0.00 N ATOM 431 NH2 ARG A 28 19.767 -3.973 1.604 1.00 0.00 N ATOM 0 H ARG A 28 13.104 -1.334 2.904 1.00 0.00 H new ATOM 0 HA ARG A 28 12.116 -3.917 3.949 1.00 0.00 H new ATOM 0 HB2 ARG A 28 14.163 -5.113 3.460 1.00 0.00 H new ATOM 0 HB3 ARG A 28 13.377 -4.632 1.969 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.931 -2.789 1.636 1.00 0.00 H new ATOM 0 HG3 ARG A 28 15.573 -2.948 3.259 1.00 0.00 H new ATOM 0 HD2 ARG A 28 16.253 -5.363 2.593 1.00 0.00 H new ATOM 0 HD3 ARG A 28 15.892 -4.900 0.941 1.00 0.00 H new ATOM 0 HE ARG A 28 17.586 -2.829 1.835 1.00 0.00 H new ATOM 0 HH11 ARG A 28 17.629 -6.329 1.708 1.00 0.00 H new ATOM 0 HH12 ARG A 28 19.386 -6.421 1.549 1.00 0.00 H new ATOM 0 HH21 ARG A 28 19.824 -2.955 1.635 1.00 0.00 H new ATOM 0 HH22 ARG A 28 20.617 -4.529 1.508 1.00 0.00 H new ATOM 462 N VAL A 30 12.564 -0.518 6.462 1.00 0.00 N ATOM 463 CA VAL A 30 12.006 0.848 6.625 1.00 0.00 C ATOM 464 C VAL A 30 10.765 0.747 7.516 1.00 0.00 C ATOM 465 O VAL A 30 10.347 1.706 8.134 1.00 0.00 O ATOM 466 CB VAL A 30 11.628 1.403 5.243 1.00 0.00 C ATOM 467 CG1 VAL A 30 10.491 2.421 5.371 1.00 0.00 C ATOM 468 CG2 VAL A 30 12.849 2.086 4.622 1.00 0.00 C ATOM 0 HA VAL A 30 12.735 1.517 7.082 1.00 0.00 H new ATOM 0 HB VAL A 30 11.297 0.580 4.609 1.00 0.00 H new ATOM 0 HG11 VAL A 30 10.234 2.806 4.384 1.00 0.00 H new ATOM 0 HG12 VAL A 30 9.618 1.938 5.811 1.00 0.00 H new ATOM 0 HG13 VAL A 30 10.810 3.245 6.009 1.00 0.00 H new ATOM 0 HG21 VAL A 30 12.585 2.481 3.641 1.00 0.00 H new ATOM 0 HG22 VAL A 30 13.176 2.902 5.266 1.00 0.00 H new ATOM 0 HG23 VAL A 30 13.656 1.362 4.516 1.00 0.00 H new ATOM 478 N PHE A 31 10.176 -0.417 7.582 1.00 0.00 N ATOM 479 CA PHE A 31 8.972 -0.597 8.420 1.00 0.00 C ATOM 480 C PHE A 31 9.233 -1.734 9.412 1.00 0.00 C ATOM 481 O PHE A 31 10.029 -2.616 9.159 1.00 0.00 O ATOM 482 CB PHE A 31 7.702 -0.933 7.578 1.00 0.00 C ATOM 483 CG PHE A 31 7.972 -1.419 6.143 1.00 0.00 C ATOM 484 CD1 PHE A 31 9.002 -0.898 5.331 1.00 0.00 C ATOM 485 CD2 PHE A 31 7.131 -2.411 5.615 1.00 0.00 C ATOM 486 CE1 PHE A 31 9.181 -1.376 4.028 1.00 0.00 C ATOM 487 CE2 PHE A 31 7.315 -2.882 4.310 1.00 0.00 C ATOM 488 CZ PHE A 31 8.341 -2.367 3.519 1.00 0.00 C ATOM 0 H PHE A 31 10.485 -1.252 7.085 1.00 0.00 H new ATOM 0 HA PHE A 31 8.779 0.344 8.936 1.00 0.00 H new ATOM 0 HB2 PHE A 31 7.132 -1.700 8.102 1.00 0.00 H new ATOM 0 HB3 PHE A 31 7.073 -0.044 7.530 1.00 0.00 H new ATOM 0 HD1 PHE A 31 9.654 -0.128 5.716 1.00 0.00 H new ATOM 0 HD2 PHE A 31 6.334 -2.815 6.222 1.00 0.00 H new ATOM 0 HE1 PHE A 31 9.974 -0.976 3.413 1.00 0.00 H new ATOM 0 HE2 PHE A 31 6.661 -3.646 3.915 1.00 0.00 H new ATOM 0 HZ PHE A 31 8.485 -2.735 2.514 1.00 0.00 H new ATOM 515 N ASP A 33 7.731 -4.072 9.725 1.00 0.00 N ATOM 516 CA ASP A 33 7.225 -5.265 9.013 1.00 0.00 C ATOM 517 C ASP A 33 8.152 -6.471 9.205 1.00 0.00 C ATOM 518 O ASP A 33 9.036 -6.718 8.410 1.00 0.00 O ATOM 519 CB ASP A 33 7.177 -4.911 7.528 1.00 0.00 C ATOM 520 CG ASP A 33 8.588 -4.577 7.042 1.00 0.00 C ATOM 521 OD1 ASP A 33 9.474 -4.487 7.875 1.00 0.00 O ATOM 522 OD2 ASP A 33 8.760 -4.422 5.844 1.00 0.00 O ATOM 0 HA ASP A 33 6.244 -5.535 9.405 1.00 0.00 H new ATOM 0 HB2 ASP A 33 6.771 -5.746 6.956 1.00 0.00 H new ATOM 0 HB3 ASP A 33 6.514 -4.061 7.366 1.00 0.00 H new ATOM 527 N ALA A 34 7.938 -7.238 10.242 1.00 0.00 N ATOM 528 CA ALA A 34 8.786 -8.442 10.467 1.00 0.00 C ATOM 529 C ALA A 34 8.275 -9.585 9.586 1.00 0.00 C ATOM 530 O ALA A 34 9.002 -10.142 8.796 1.00 0.00 O ATOM 531 CB ALA A 34 8.720 -8.848 11.936 1.00 0.00 C ATOM 0 H ALA A 34 7.213 -7.081 10.942 1.00 0.00 H new ATOM 0 HA ALA A 34 9.821 -8.218 10.208 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.341 -9.729 12.098 1.00 0.00 H new ATOM 0 HB2 ALA A 34 9.083 -8.029 12.557 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.689 -9.077 12.204 1.00 0.00 H new ATOM 554 N GLN A 36 5.667 -9.134 7.495 1.00 0.00 N ATOM 555 CA GLN A 36 5.401 -8.503 6.188 1.00 0.00 C ATOM 556 C GLN A 36 6.657 -8.707 5.365 1.00 0.00 C ATOM 557 O GLN A 36 6.614 -8.848 4.174 1.00 0.00 O ATOM 558 CB GLN A 36 5.077 -7.020 6.332 1.00 0.00 C ATOM 559 CG GLN A 36 3.593 -6.784 6.058 1.00 0.00 C ATOM 560 CD GLN A 36 3.305 -5.281 6.062 1.00 0.00 C ATOM 561 OE1 GLN A 36 4.050 -4.505 5.496 1.00 0.00 O ATOM 562 NE2 GLN A 36 2.248 -4.833 6.685 1.00 0.00 N ATOM 0 HA GLN A 36 4.530 -8.952 5.710 1.00 0.00 H new ATOM 0 HB2 GLN A 36 5.329 -6.679 7.336 1.00 0.00 H new ATOM 0 HB3 GLN A 36 5.681 -6.437 5.637 1.00 0.00 H new ATOM 0 HG2 GLN A 36 3.317 -7.215 5.096 1.00 0.00 H new ATOM 0 HG3 GLN A 36 2.989 -7.283 6.816 1.00 0.00 H new ATOM 0 HE21 GLN A 36 1.622 -5.483 7.160 1.00 0.00 H new ATOM 0 HE22 GLN A 36 2.048 -3.833 6.696 1.00 0.00 H new ATOM 571 N THR A 37 7.798 -8.811 5.996 1.00 0.00 N ATOM 572 CA THR A 37 9.024 -9.080 5.180 1.00 0.00 C ATOM 573 C THR A 37 8.635 -10.112 4.130 1.00 0.00 C ATOM 574 O THR A 37 8.666 -9.865 2.959 1.00 0.00 O ATOM 575 CB THR A 37 10.156 -9.641 6.039 1.00 0.00 C ATOM 576 OG1 THR A 37 9.699 -10.781 6.748 1.00 0.00 O ATOM 577 CG2 THR A 37 10.629 -8.566 7.010 1.00 0.00 C ATOM 0 H THR A 37 7.936 -8.726 7.003 1.00 0.00 H new ATOM 0 HA THR A 37 9.381 -8.153 4.732 1.00 0.00 H new ATOM 0 HB THR A 37 10.989 -9.939 5.403 1.00 0.00 H new ATOM 0 HG1 THR A 37 9.668 -10.579 7.707 1.00 0.00 H new ATOM 0 HG21 THR A 37 11.437 -8.962 7.625 1.00 0.00 H new ATOM 0 HG22 THR A 37 10.989 -7.703 6.450 1.00 0.00 H new ATOM 0 HG23 THR A 37 9.800 -8.264 7.650 1.00 0.00 H new ATOM 585 N ASP A 38 8.196 -11.243 4.561 1.00 0.00 N ATOM 586 CA ASP A 38 7.737 -12.278 3.607 1.00 0.00 C ATOM 587 C ASP A 38 6.286 -11.984 3.178 1.00 0.00 C ATOM 588 O ASP A 38 6.031 -11.700 2.026 1.00 0.00 O ATOM 589 CB ASP A 38 7.853 -13.618 4.315 1.00 0.00 C ATOM 590 CG ASP A 38 6.863 -14.628 3.727 1.00 0.00 C ATOM 591 OD1 ASP A 38 7.225 -15.295 2.772 1.00 0.00 O ATOM 592 OD2 ASP A 38 5.759 -14.714 4.240 1.00 0.00 O ATOM 0 H ASP A 38 8.132 -11.504 5.545 1.00 0.00 H new ATOM 0 HA ASP A 38 8.342 -12.287 2.700 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.870 -13.999 4.218 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.660 -13.490 5.380 1.00 0.00 H new ATOM 614 N PHE A 40 4.385 -9.484 3.130 1.00 0.00 N ATOM 615 CA PHE A 40 4.447 -8.310 2.217 1.00 0.00 C ATOM 616 C PHE A 40 4.863 -8.823 0.839 1.00 0.00 C ATOM 617 O PHE A 40 4.153 -8.681 -0.136 1.00 0.00 O ATOM 618 CB PHE A 40 5.496 -7.340 2.763 1.00 0.00 C ATOM 619 CG PHE A 40 5.249 -5.960 2.281 1.00 0.00 C ATOM 620 CD1 PHE A 40 4.272 -5.203 2.912 1.00 0.00 C ATOM 621 CD2 PHE A 40 5.987 -5.439 1.216 1.00 0.00 C ATOM 622 CE1 PHE A 40 4.022 -3.902 2.477 1.00 0.00 C ATOM 623 CE2 PHE A 40 5.745 -4.143 0.779 1.00 0.00 C ATOM 624 CZ PHE A 40 4.762 -3.370 1.406 1.00 0.00 C ATOM 0 HA PHE A 40 3.488 -7.797 2.145 1.00 0.00 H new ATOM 0 HB2 PHE A 40 5.479 -7.356 3.853 1.00 0.00 H new ATOM 0 HB3 PHE A 40 6.490 -7.664 2.455 1.00 0.00 H new ATOM 0 HD1 PHE A 40 3.709 -5.619 3.735 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.743 -6.041 0.734 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.263 -3.305 2.961 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.314 -3.733 -0.042 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.571 -2.363 1.067 1.00 0.00 H new ATOM 634 N TRP A 41 5.995 -9.469 0.775 1.00 0.00 N ATOM 635 CA TRP A 41 6.456 -10.058 -0.502 1.00 0.00 C ATOM 636 C TRP A 41 5.719 -11.396 -0.692 1.00 0.00 C ATOM 637 O TRP A 41 4.820 -11.716 0.056 1.00 0.00 O ATOM 638 CB TRP A 41 7.954 -10.314 -0.420 1.00 0.00 C ATOM 639 CG TRP A 41 8.701 -9.101 0.040 1.00 0.00 C ATOM 640 CD1 TRP A 41 9.706 -9.137 0.940 1.00 0.00 C ATOM 641 CD2 TRP A 41 8.559 -7.702 -0.360 1.00 0.00 C ATOM 642 NE1 TRP A 41 10.179 -7.854 1.140 1.00 0.00 N ATOM 643 CE2 TRP A 41 9.511 -6.935 0.357 1.00 0.00 C ATOM 644 CE3 TRP A 41 7.709 -7.025 -1.256 1.00 0.00 C ATOM 645 CZ2 TRP A 41 9.615 -5.553 0.191 1.00 0.00 C ATOM 646 CZ3 TRP A 41 7.814 -5.635 -1.426 1.00 0.00 C ATOM 647 CH2 TRP A 41 8.764 -4.901 -0.704 1.00 0.00 C ATOM 0 H TRP A 41 6.623 -9.612 1.566 1.00 0.00 H new ATOM 0 HA TRP A 41 6.252 -9.386 -1.336 1.00 0.00 H new ATOM 0 HB2 TRP A 41 8.145 -11.140 0.265 1.00 0.00 H new ATOM 0 HB3 TRP A 41 8.325 -10.620 -1.398 1.00 0.00 H new ATOM 0 HD1 TRP A 41 10.081 -10.026 1.426 1.00 0.00 H new ATOM 0 HE1 TRP A 41 10.930 -7.616 1.787 1.00 0.00 H new ATOM 0 HE3 TRP A 41 6.971 -7.579 -1.817 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 10.349 -4.992 0.751 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 7.158 -5.128 -2.118 1.00 0.00 H new ATOM 0 HH2 TRP A 41 8.838 -3.832 -0.839 1.00 0.00 H new ATOM 658 N SER A 42 6.091 -12.190 -1.664 1.00 0.00 N ATOM 659 CA SER A 42 5.403 -13.505 -1.856 1.00 0.00 C ATOM 660 C SER A 42 3.892 -13.334 -1.676 1.00 0.00 C ATOM 661 O SER A 42 3.376 -13.493 -0.592 1.00 0.00 O ATOM 662 CB SER A 42 5.925 -14.505 -0.823 1.00 0.00 C ATOM 663 OG SER A 42 5.393 -14.181 0.455 1.00 0.00 O ATOM 0 H SER A 42 6.837 -11.987 -2.330 1.00 0.00 H new ATOM 0 HA SER A 42 5.606 -13.873 -2.862 1.00 0.00 H new ATOM 0 HB2 SER A 42 5.637 -15.518 -1.103 1.00 0.00 H new ATOM 0 HB3 SER A 42 7.014 -14.480 -0.793 1.00 0.00 H new ATOM 0 HG SER A 42 4.767 -13.432 0.368 1.00 0.00 H new ATOM 669 N LYS A 43 3.215 -12.998 -2.749 1.00 0.00 N ATOM 670 CA LYS A 43 1.730 -12.771 -2.761 1.00 0.00 C ATOM 671 C LYS A 43 1.489 -11.300 -3.093 1.00 0.00 C ATOM 672 O LYS A 43 0.375 -10.818 -3.079 1.00 0.00 O ATOM 673 CB LYS A 43 1.058 -13.123 -1.420 1.00 0.00 C ATOM 674 CG LYS A 43 1.220 -11.972 -0.419 1.00 0.00 C ATOM 675 CD LYS A 43 0.458 -12.306 0.864 1.00 0.00 C ATOM 676 CE LYS A 43 1.244 -13.339 1.672 1.00 0.00 C ATOM 677 NZ LYS A 43 0.297 -14.302 2.300 1.00 0.00 N ATOM 0 H LYS A 43 3.653 -12.866 -3.661 1.00 0.00 H new ATOM 0 HA LYS A 43 1.285 -13.430 -3.507 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.001 -13.327 -1.580 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.500 -14.032 -1.012 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.275 -11.813 -0.198 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.842 -11.045 -0.849 1.00 0.00 H new ATOM 0 HD2 LYS A 43 0.309 -11.403 1.456 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.531 -12.695 0.621 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.942 -13.869 1.024 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.837 -12.842 2.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.831 -15.005 2.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.352 -13.789 2.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.250 -14.785 1.559 1.00 0.00 H new ATOM 691 N TYR A 44 2.540 -10.585 -3.402 1.00 0.00 N ATOM 692 CA TYR A 44 2.409 -9.165 -3.747 1.00 0.00 C ATOM 693 C TYR A 44 1.970 -9.073 -5.198 1.00 0.00 C ATOM 694 O TYR A 44 0.802 -9.184 -5.477 1.00 0.00 O ATOM 695 CB TYR A 44 3.771 -8.512 -3.521 1.00 0.00 C ATOM 696 CG TYR A 44 3.753 -7.047 -3.872 1.00 0.00 C ATOM 697 CD1 TYR A 44 2.567 -6.402 -4.268 1.00 0.00 C ATOM 698 CD2 TYR A 44 4.948 -6.332 -3.793 1.00 0.00 C ATOM 699 CE1 TYR A 44 2.589 -5.034 -4.588 1.00 0.00 C ATOM 700 CE2 TYR A 44 4.973 -4.972 -4.108 1.00 0.00 C ATOM 701 CZ TYR A 44 3.794 -4.320 -4.507 1.00 0.00 C ATOM 702 OH TYR A 44 3.822 -2.976 -4.821 1.00 0.00 O ATOM 0 H TYR A 44 3.494 -10.945 -3.426 1.00 0.00 H new ATOM 0 HA TYR A 44 1.668 -8.651 -3.134 1.00 0.00 H new ATOM 0 HB2 TYR A 44 4.063 -8.632 -2.478 1.00 0.00 H new ATOM 0 HB3 TYR A 44 4.523 -9.021 -4.124 1.00 0.00 H new ATOM 0 HD1 TYR A 44 1.642 -6.957 -4.326 1.00 0.00 H new ATOM 0 HD2 TYR A 44 5.856 -6.831 -3.488 1.00 0.00 H new ATOM 0 HE1 TYR A 44 1.682 -4.534 -4.895 1.00 0.00 H new ATOM 0 HE2 TYR A 44 5.899 -4.421 -4.045 1.00 0.00 H new ATOM 0 HH TYR A 44 4.734 -2.633 -4.712 1.00 0.00 H new ATOM 712 N LYS A 45 2.902 -8.907 -6.107 1.00 0.00 N ATOM 713 CA LYS A 45 2.573 -8.818 -7.579 1.00 0.00 C ATOM 714 C LYS A 45 1.064 -8.632 -7.800 1.00 0.00 C ATOM 715 O LYS A 45 0.427 -9.403 -8.489 1.00 0.00 O ATOM 716 CB LYS A 45 3.035 -10.096 -8.293 1.00 0.00 C ATOM 717 CG LYS A 45 3.105 -11.263 -7.302 1.00 0.00 C ATOM 718 CD LYS A 45 4.563 -11.512 -6.909 1.00 0.00 C ATOM 719 CE LYS A 45 5.051 -12.812 -7.554 1.00 0.00 C ATOM 720 NZ LYS A 45 6.468 -12.652 -7.986 1.00 0.00 N ATOM 0 H LYS A 45 3.896 -8.827 -5.893 1.00 0.00 H new ATOM 0 HA LYS A 45 3.094 -7.953 -7.989 1.00 0.00 H new ATOM 0 HB2 LYS A 45 2.346 -10.338 -9.102 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.014 -9.935 -8.745 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.512 -11.038 -6.416 1.00 0.00 H new ATOM 0 HG3 LYS A 45 2.680 -12.161 -7.750 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.185 -10.677 -7.232 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.653 -11.576 -5.825 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.967 -13.636 -6.845 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.425 -13.063 -8.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.799 -13.535 -8.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.535 -11.877 -8.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.060 -12.432 -7.160 1.00 0.00 H new ATOM 734 N ASP A 46 0.489 -7.622 -7.200 1.00 0.00 N ATOM 735 CA ASP A 46 -0.977 -7.387 -7.345 1.00 0.00 C ATOM 736 C ASP A 46 -1.237 -5.885 -7.384 1.00 0.00 C ATOM 737 O ASP A 46 -2.339 -5.430 -7.152 1.00 0.00 O ATOM 738 CB ASP A 46 -1.710 -7.970 -6.126 1.00 0.00 C ATOM 739 CG ASP A 46 -3.099 -8.452 -6.546 1.00 0.00 C ATOM 740 OD1 ASP A 46 -3.434 -8.293 -7.708 1.00 0.00 O ATOM 741 OD2 ASP A 46 -3.806 -8.971 -5.697 1.00 0.00 O ATOM 0 H ASP A 46 0.976 -6.946 -6.612 1.00 0.00 H new ATOM 0 HA ASP A 46 -1.332 -7.861 -8.260 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -1.138 -8.798 -5.706 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -1.797 -7.214 -5.345 1.00 0.00 H new ATOM 746 N GLY A 47 -0.222 -5.105 -7.627 1.00 0.00 N ATOM 747 CA GLY A 47 -0.416 -3.628 -7.619 1.00 0.00 C ATOM 748 C GLY A 47 -0.531 -3.177 -6.159 1.00 0.00 C ATOM 749 O GLY A 47 -0.764 -2.020 -5.873 1.00 0.00 O ATOM 0 H GLY A 47 0.726 -5.422 -7.829 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.422 -3.130 -8.107 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -1.315 -3.358 -8.174 1.00 0.00 H new ATOM 753 N ASP A 48 -0.385 -4.107 -5.241 1.00 0.00 N ATOM 754 CA ASP A 48 -0.490 -3.792 -3.783 1.00 0.00 C ATOM 755 C ASP A 48 -1.951 -3.923 -3.368 1.00 0.00 C ATOM 756 O ASP A 48 -2.316 -3.601 -2.255 1.00 0.00 O ATOM 757 CB ASP A 48 0.062 -2.384 -3.481 1.00 0.00 C ATOM 758 CG ASP A 48 -1.068 -1.398 -3.142 1.00 0.00 C ATOM 759 OD1 ASP A 48 -1.769 -0.990 -4.051 1.00 0.00 O ATOM 760 OD2 ASP A 48 -1.209 -1.072 -1.974 1.00 0.00 O ATOM 0 H ASP A 48 -0.194 -5.087 -5.448 1.00 0.00 H new ATOM 0 HA ASP A 48 0.113 -4.493 -3.206 1.00 0.00 H new ATOM 0 HB2 ASP A 48 0.762 -2.437 -2.647 1.00 0.00 H new ATOM 0 HB3 ASP A 48 0.620 -2.018 -4.343 1.00 0.00 H new ATOM 765 N GLN A 49 -2.785 -4.405 -4.259 1.00 0.00 N ATOM 766 CA GLN A 49 -4.221 -4.589 -3.923 1.00 0.00 C ATOM 767 C GLN A 49 -4.970 -3.259 -3.832 1.00 0.00 C ATOM 768 O GLN A 49 -6.169 -3.210 -4.019 1.00 0.00 O ATOM 769 CB GLN A 49 -4.302 -5.355 -2.638 1.00 0.00 C ATOM 770 CG GLN A 49 -4.494 -6.805 -3.032 1.00 0.00 C ATOM 771 CD GLN A 49 -3.645 -7.694 -2.141 1.00 0.00 C ATOM 772 OE1 GLN A 49 -3.532 -7.463 -0.957 1.00 0.00 O ATOM 773 NE2 GLN A 49 -3.021 -8.696 -2.682 1.00 0.00 N ATOM 0 H GLN A 49 -2.526 -4.678 -5.207 1.00 0.00 H new ATOM 0 HA GLN A 49 -4.709 -5.147 -4.722 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.394 -5.227 -2.049 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -5.132 -5.003 -2.025 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -5.545 -7.080 -2.942 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.216 -6.948 -4.076 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.123 -8.882 -3.680 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.429 -9.297 -2.109 1.00 0.00 H new ATOM 782 N CYS A 50 -4.293 -2.176 -3.583 1.00 0.00 N ATOM 783 CA CYS A 50 -4.998 -0.875 -3.529 1.00 0.00 C ATOM 784 C CYS A 50 -4.912 -0.242 -4.915 1.00 0.00 C ATOM 785 O CYS A 50 -5.708 0.604 -5.273 1.00 0.00 O ATOM 786 CB CYS A 50 -4.345 0.036 -2.490 1.00 0.00 C ATOM 787 SG CYS A 50 -5.424 1.457 -2.174 1.00 0.00 S ATOM 0 H CYS A 50 -3.288 -2.138 -3.416 1.00 0.00 H new ATOM 0 HA CYS A 50 -6.040 -1.018 -3.242 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -4.170 -0.515 -1.566 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -3.373 0.376 -2.847 1.00 0.00 H new ATOM 792 N GLU A 51 -3.956 -0.658 -5.711 1.00 0.00 N ATOM 793 CA GLU A 51 -3.840 -0.090 -7.076 1.00 0.00 C ATOM 794 C GLU A 51 -5.176 -0.294 -7.805 1.00 0.00 C ATOM 795 O GLU A 51 -5.800 -1.328 -7.685 1.00 0.00 O ATOM 796 CB GLU A 51 -2.730 -0.819 -7.836 1.00 0.00 C ATOM 797 CG GLU A 51 -2.684 -0.314 -9.279 1.00 0.00 C ATOM 798 CD GLU A 51 -3.352 -1.338 -10.199 1.00 0.00 C ATOM 799 OE1 GLU A 51 -3.100 -2.518 -10.021 1.00 0.00 O ATOM 800 OE2 GLU A 51 -4.105 -0.924 -11.065 1.00 0.00 O ATOM 0 H GLU A 51 -3.259 -1.362 -5.470 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.602 0.972 -7.021 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.770 -0.650 -7.349 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -2.910 -1.894 -7.821 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -3.193 0.647 -9.356 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.651 -0.152 -9.586 1.00 0.00 H new ATOM 807 N GLY A 52 -5.626 0.673 -8.556 1.00 0.00 N ATOM 808 CA GLY A 52 -6.922 0.511 -9.276 1.00 0.00 C ATOM 809 C GLY A 52 -8.020 1.266 -8.525 1.00 0.00 C ATOM 810 O GLY A 52 -9.101 1.481 -9.035 1.00 0.00 O ATOM 0 H GLY A 52 -5.155 1.566 -8.702 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -6.835 0.892 -10.294 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.179 -0.546 -9.352 1.00 0.00 H new ATOM 814 N HIS A 53 -7.747 1.674 -7.317 1.00 0.00 N ATOM 815 CA HIS A 53 -8.767 2.420 -6.530 1.00 0.00 C ATOM 816 C HIS A 53 -9.958 1.507 -6.218 1.00 0.00 C ATOM 817 O HIS A 53 -11.063 1.766 -6.651 1.00 0.00 O ATOM 818 CB HIS A 53 -9.246 3.624 -7.340 1.00 0.00 C ATOM 819 CG HIS A 53 -9.908 4.616 -6.423 1.00 0.00 C ATOM 820 ND1 HIS A 53 -9.287 5.091 -5.278 1.00 0.00 N ATOM 821 CD2 HIS A 53 -11.134 5.232 -6.468 1.00 0.00 C ATOM 822 CE1 HIS A 53 -10.134 5.954 -4.686 1.00 0.00 C ATOM 823 NE2 HIS A 53 -11.274 6.077 -5.370 1.00 0.00 N ATOM 0 H HIS A 53 -6.858 1.522 -6.840 1.00 0.00 H new ATOM 0 HA HIS A 53 -8.323 2.758 -5.594 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -8.403 4.091 -7.850 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -9.946 3.302 -8.111 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -11.877 5.084 -7.238 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -9.918 6.482 -3.769 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -12.075 6.664 -5.138 1.00 0.00 H new ATOM 831 N PRO A 54 -9.697 0.466 -5.466 1.00 0.00 N ATOM 832 CA PRO A 54 -10.739 -0.501 -5.071 1.00 0.00 C ATOM 833 C PRO A 54 -11.832 0.202 -4.262 1.00 0.00 C ATOM 834 O PRO A 54 -13.005 -0.082 -4.400 1.00 0.00 O ATOM 835 CB PRO A 54 -10.010 -1.523 -4.189 1.00 0.00 C ATOM 836 CG PRO A 54 -8.519 -1.106 -4.112 1.00 0.00 C ATOM 837 CD PRO A 54 -8.347 0.169 -4.952 1.00 0.00 C ATOM 0 HA PRO A 54 -11.221 -0.963 -5.932 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -10.451 -1.550 -3.192 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -10.105 -2.525 -4.607 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -8.225 -0.925 -3.078 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -7.879 -1.903 -4.491 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -7.964 0.992 -4.348 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -7.639 0.014 -5.766 1.00 0.00 H new ATOM 845 N CYS A 55 -11.446 1.108 -3.411 1.00 0.00 N ATOM 846 CA CYS A 55 -12.449 1.831 -2.575 1.00 0.00 C ATOM 847 C CYS A 55 -13.125 2.920 -3.419 1.00 0.00 C ATOM 848 O CYS A 55 -12.631 3.302 -4.461 1.00 0.00 O ATOM 849 CB CYS A 55 -11.751 2.462 -1.364 1.00 0.00 C ATOM 850 SG CYS A 55 -10.352 1.426 -0.848 1.00 0.00 S ATOM 0 H CYS A 55 -10.476 1.382 -3.256 1.00 0.00 H new ATOM 0 HA CYS A 55 -13.205 1.130 -2.222 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -11.400 3.463 -1.616 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -12.458 2.570 -0.541 1.00 0.00 H new ATOM 855 N LEU A 56 -14.258 3.416 -2.988 1.00 0.00 N ATOM 856 CA LEU A 56 -14.962 4.465 -3.780 1.00 0.00 C ATOM 857 C LEU A 56 -15.667 5.452 -2.858 1.00 0.00 C ATOM 858 O LEU A 56 -15.537 5.415 -1.652 1.00 0.00 O ATOM 859 CB LEU A 56 -16.025 3.819 -4.662 1.00 0.00 C ATOM 860 CG LEU A 56 -15.484 3.481 -6.049 1.00 0.00 C ATOM 861 CD1 LEU A 56 -16.675 3.271 -6.979 1.00 0.00 C ATOM 862 CD2 LEU A 56 -14.626 4.632 -6.584 1.00 0.00 C ATOM 0 H LEU A 56 -14.723 3.139 -2.124 1.00 0.00 H new ATOM 0 HA LEU A 56 -14.218 4.984 -4.384 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -16.391 2.911 -4.184 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -16.876 4.493 -4.758 1.00 0.00 H new ATOM 0 HG LEU A 56 -14.867 2.584 -5.995 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -16.317 3.028 -7.979 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -17.289 2.452 -6.604 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -17.271 4.183 -7.019 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -14.248 4.375 -7.574 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -15.231 5.536 -6.650 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -13.788 4.805 -5.909 1.00 0.00 H new ATOM 874 N ASN A 57 -16.418 6.340 -3.447 1.00 0.00 N ATOM 875 CA ASN A 57 -17.148 7.363 -2.660 1.00 0.00 C ATOM 876 C ASN A 57 -16.220 7.922 -1.594 1.00 0.00 C ATOM 877 O ASN A 57 -16.451 7.789 -0.412 1.00 0.00 O ATOM 878 CB ASN A 57 -18.408 6.769 -2.011 1.00 0.00 C ATOM 879 CG ASN A 57 -19.508 6.544 -3.059 1.00 0.00 C ATOM 880 OD1 ASN A 57 -20.678 6.578 -2.732 1.00 0.00 O ATOM 881 ND2 ASN A 57 -19.196 6.312 -4.302 1.00 0.00 N ATOM 0 H ASN A 57 -16.557 6.398 -4.456 1.00 0.00 H new ATOM 0 HA ASN A 57 -17.467 8.162 -3.329 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -18.162 5.824 -1.527 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -18.772 7.440 -1.233 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -19.931 6.161 -4.993 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -18.216 6.282 -4.585 1.00 0.00 H new ATOM 888 N GLN A 58 -15.179 8.577 -2.018 1.00 0.00 N ATOM 889 CA GLN A 58 -14.246 9.201 -1.049 1.00 0.00 C ATOM 890 C GLN A 58 -13.816 8.181 0.001 1.00 0.00 C ATOM 891 O GLN A 58 -13.546 8.518 1.136 1.00 0.00 O ATOM 892 CB GLN A 58 -14.968 10.361 -0.362 1.00 0.00 C ATOM 893 CG GLN A 58 -15.998 10.986 -1.320 1.00 0.00 C ATOM 894 CD GLN A 58 -15.274 11.877 -2.330 1.00 0.00 C ATOM 895 OE1 GLN A 58 -14.947 13.009 -2.034 1.00 0.00 O ATOM 896 NE2 GLN A 58 -15.007 11.411 -3.520 1.00 0.00 N ATOM 0 H GLN A 58 -14.934 8.707 -3.000 1.00 0.00 H new ATOM 0 HA GLN A 58 -13.359 9.559 -1.573 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -15.467 10.006 0.539 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -14.246 11.115 -0.050 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -16.551 10.203 -1.839 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -16.726 11.571 -0.758 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -15.281 10.461 -3.769 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -14.524 11.997 -4.201 1.00 0.00 H new ATOM 905 N GLY A 59 -13.748 6.939 -0.368 1.00 0.00 N ATOM 906 CA GLY A 59 -13.333 5.899 0.612 1.00 0.00 C ATOM 907 C GLY A 59 -11.805 5.852 0.692 1.00 0.00 C ATOM 908 O GLY A 59 -11.120 5.974 -0.303 1.00 0.00 O ATOM 0 H GLY A 59 -13.961 6.596 -1.305 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -13.752 6.121 1.593 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -13.722 4.926 0.312 1.00 0.00 H new ATOM 912 N HIS A 60 -11.266 5.661 1.865 1.00 0.00 N ATOM 913 CA HIS A 60 -9.785 5.588 1.997 1.00 0.00 C ATOM 914 C HIS A 60 -9.339 4.191 1.565 1.00 0.00 C ATOM 915 O HIS A 60 -10.084 3.479 0.924 1.00 0.00 O ATOM 916 CB HIS A 60 -9.382 5.841 3.452 1.00 0.00 C ATOM 917 CG HIS A 60 -9.737 7.252 3.835 1.00 0.00 C ATOM 918 ND1 HIS A 60 -8.996 8.343 3.407 1.00 0.00 N ATOM 919 CD2 HIS A 60 -10.748 7.765 4.609 1.00 0.00 C ATOM 920 CE1 HIS A 60 -9.566 9.447 3.924 1.00 0.00 C ATOM 921 NE2 HIS A 60 -10.638 9.151 4.665 1.00 0.00 N ATOM 0 H HIS A 60 -11.787 5.553 2.735 1.00 0.00 H new ATOM 0 HA HIS A 60 -9.310 6.344 1.371 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -9.891 5.136 4.109 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -8.312 5.678 3.577 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -11.513 7.181 5.100 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -9.201 10.450 3.760 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -11.245 9.801 5.164 1.00 0.00 H new ATOM 929 N CYS A 61 -8.141 3.781 1.885 1.00 0.00 N ATOM 930 CA CYS A 61 -7.706 2.422 1.449 1.00 0.00 C ATOM 931 C CYS A 61 -6.514 1.932 2.287 1.00 0.00 C ATOM 932 O CYS A 61 -5.454 2.527 2.285 1.00 0.00 O ATOM 933 CB CYS A 61 -7.291 2.488 -0.025 1.00 0.00 C ATOM 934 SG CYS A 61 -6.455 0.953 -0.509 1.00 0.00 S ATOM 0 H CYS A 61 -7.456 4.316 2.419 1.00 0.00 H new ATOM 0 HA CYS A 61 -8.533 1.726 1.585 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -8.169 2.645 -0.651 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -6.628 3.338 -0.186 1.00 0.00 H new ATOM 939 N LYS A 62 -6.673 0.831 2.971 1.00 0.00 N ATOM 940 CA LYS A 62 -5.550 0.265 3.778 1.00 0.00 C ATOM 941 C LYS A 62 -5.035 -0.986 3.055 1.00 0.00 C ATOM 942 O LYS A 62 -5.656 -2.029 3.086 1.00 0.00 O ATOM 943 CB LYS A 62 -6.056 -0.112 5.172 1.00 0.00 C ATOM 944 CG LYS A 62 -6.160 1.146 6.038 1.00 0.00 C ATOM 945 CD LYS A 62 -7.603 1.657 6.028 1.00 0.00 C ATOM 946 CE LYS A 62 -8.303 1.247 7.326 1.00 0.00 C ATOM 947 NZ LYS A 62 -8.164 2.337 8.333 1.00 0.00 N ATOM 0 H LYS A 62 -7.540 0.294 3.006 1.00 0.00 H new ATOM 0 HA LYS A 62 -4.750 0.997 3.886 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -7.030 -0.596 5.098 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.378 -0.829 5.634 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -5.849 0.924 7.059 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -5.488 1.917 5.660 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -7.614 2.742 5.924 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -8.138 1.249 5.170 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -9.357 1.046 7.135 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -7.868 0.325 7.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -8.640 2.058 9.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -7.156 2.508 8.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -8.599 3.207 7.965 1.00 0.00 H new ATOM 974 N GLY A 64 -1.785 -3.832 1.906 1.00 0.00 N ATOM 975 CA GLY A 64 -0.958 -4.789 2.703 1.00 0.00 C ATOM 976 C GLY A 64 -1.045 -6.219 2.134 1.00 0.00 C ATOM 977 O GLY A 64 -1.183 -7.163 2.882 1.00 0.00 O ATOM 0 HA2 GLY A 64 0.081 -4.460 2.705 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.295 -4.787 3.740 1.00 0.00 H new ATOM 981 N ILE A 65 -0.965 -6.378 0.826 1.00 0.00 N ATOM 982 CA ILE A 65 -1.060 -7.745 0.190 1.00 0.00 C ATOM 983 C ILE A 65 -2.033 -8.623 0.981 1.00 0.00 C ATOM 984 O ILE A 65 -2.814 -8.130 1.764 1.00 0.00 O ATOM 985 CB ILE A 65 0.307 -8.439 0.095 1.00 0.00 C ATOM 986 CG1 ILE A 65 1.097 -8.253 1.392 1.00 0.00 C ATOM 987 CG2 ILE A 65 1.091 -7.875 -1.094 1.00 0.00 C ATOM 988 CD1 ILE A 65 0.538 -9.204 2.457 1.00 0.00 C ATOM 0 H ILE A 65 -0.837 -5.612 0.165 1.00 0.00 H new ATOM 0 HA ILE A 65 -1.428 -7.605 -0.826 1.00 0.00 H new ATOM 0 HB ILE A 65 0.150 -9.507 -0.056 1.00 0.00 H new ATOM 0 HG12 ILE A 65 2.154 -8.458 1.222 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.023 -7.220 1.733 1.00 0.00 H new ATOM 0 HG21 ILE A 65 2.060 -8.370 -1.158 1.00 0.00 H new ATOM 0 HG22 ILE A 65 0.533 -8.050 -2.014 1.00 0.00 H new ATOM 0 HG23 ILE A 65 1.239 -6.804 -0.957 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.095 -9.078 3.385 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -0.514 -8.977 2.631 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.635 -10.234 2.112 1.00 0.00 H new ATOM 1000 N GLY A 66 -2.033 -9.917 0.771 1.00 0.00 N ATOM 1001 CA GLY A 66 -3.009 -10.765 1.514 1.00 0.00 C ATOM 1002 C GLY A 66 -4.367 -10.073 1.383 1.00 0.00 C ATOM 1003 O GLY A 66 -5.187 -10.092 2.272 1.00 0.00 O ATOM 0 H GLY A 66 -1.412 -10.412 0.131 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.044 -11.772 1.098 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.722 -10.862 2.561 1.00 0.00 H new ATOM 1007 N ASP A 67 -4.529 -9.401 0.274 1.00 0.00 N ATOM 1008 CA ASP A 67 -5.760 -8.579 -0.020 1.00 0.00 C ATOM 1009 C ASP A 67 -5.563 -7.191 0.597 1.00 0.00 C ATOM 1010 O ASP A 67 -4.492 -6.844 1.041 1.00 0.00 O ATOM 1011 CB ASP A 67 -7.062 -9.232 0.471 1.00 0.00 C ATOM 1012 CG ASP A 67 -7.361 -8.893 1.941 1.00 0.00 C ATOM 1013 OD1 ASP A 67 -7.543 -7.729 2.246 1.00 0.00 O ATOM 1014 OD2 ASP A 67 -7.425 -9.817 2.736 1.00 0.00 O ATOM 0 H ASP A 67 -3.836 -9.383 -0.474 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.875 -8.504 -1.101 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -7.891 -8.900 -0.153 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -6.990 -10.314 0.356 1.00 0.00 H new ATOM 1019 N TYR A 68 -6.561 -6.382 0.603 1.00 0.00 N ATOM 1020 CA TYR A 68 -6.400 -5.013 1.156 1.00 0.00 C ATOM 1021 C TYR A 68 -7.631 -4.685 1.993 1.00 0.00 C ATOM 1022 O TYR A 68 -8.395 -5.553 2.368 1.00 0.00 O ATOM 1023 CB TYR A 68 -6.313 -4.024 -0.006 1.00 0.00 C ATOM 1024 CG TYR A 68 -7.363 -4.372 -1.036 1.00 0.00 C ATOM 1025 CD1 TYR A 68 -7.233 -5.559 -1.760 1.00 0.00 C ATOM 1026 CD2 TYR A 68 -8.456 -3.521 -1.271 1.00 0.00 C ATOM 1027 CE1 TYR A 68 -8.168 -5.915 -2.713 1.00 0.00 C ATOM 1028 CE2 TYR A 68 -9.409 -3.878 -2.240 1.00 0.00 C ATOM 1029 CZ TYR A 68 -9.264 -5.077 -2.962 1.00 0.00 C ATOM 1030 OH TYR A 68 -10.200 -5.428 -3.915 1.00 0.00 O ATOM 0 H TYR A 68 -7.492 -6.602 0.249 1.00 0.00 H new ATOM 0 HA TYR A 68 -5.500 -4.951 1.767 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -6.464 -3.007 0.355 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -5.320 -4.059 -0.455 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -6.390 -6.208 -1.572 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -8.563 -2.602 -0.713 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -8.055 -6.837 -3.265 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -10.253 -3.232 -2.431 1.00 0.00 H new ATOM 0 HH TYR A 68 -10.895 -4.738 -3.961 1.00 0.00 H new ATOM 1040 N THR A 69 -7.843 -3.437 2.259 1.00 0.00 N ATOM 1041 CA THR A 69 -9.025 -3.021 3.031 1.00 0.00 C ATOM 1042 C THR A 69 -9.417 -1.640 2.534 1.00 0.00 C ATOM 1043 O THR A 69 -8.647 -0.982 1.865 1.00 0.00 O ATOM 1044 CB THR A 69 -8.671 -2.955 4.506 1.00 0.00 C ATOM 1045 OG1 THR A 69 -7.263 -2.839 4.653 1.00 0.00 O ATOM 1046 CG2 THR A 69 -9.162 -4.219 5.211 1.00 0.00 C ATOM 0 H THR A 69 -7.233 -2.674 1.967 1.00 0.00 H new ATOM 0 HA THR A 69 -9.846 -3.727 2.905 1.00 0.00 H new ATOM 0 HB THR A 69 -9.152 -2.086 4.954 1.00 0.00 H new ATOM 0 HG1 THR A 69 -6.909 -2.249 3.955 1.00 0.00 H new ATOM 0 HG21 THR A 69 -8.906 -4.168 6.269 1.00 0.00 H new ATOM 0 HG22 THR A 69 -10.244 -4.299 5.103 1.00 0.00 H new ATOM 0 HG23 THR A 69 -8.687 -5.093 4.765 1.00 0.00 H new ATOM 1054 N CYS A 70 -10.584 -1.176 2.843 1.00 0.00 N ATOM 1055 CA CYS A 70 -10.959 0.168 2.376 1.00 0.00 C ATOM 1056 C CYS A 70 -11.537 0.938 3.565 1.00 0.00 C ATOM 1057 O CYS A 70 -11.399 0.533 4.702 1.00 0.00 O ATOM 1058 CB CYS A 70 -12.005 0.071 1.269 1.00 0.00 C ATOM 1059 SG CYS A 70 -11.193 -0.325 -0.295 1.00 0.00 S ATOM 0 H CYS A 70 -11.288 -1.666 3.395 1.00 0.00 H new ATOM 0 HA CYS A 70 -10.084 0.681 1.976 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -12.739 -0.696 1.514 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -12.546 1.013 1.182 1.00 0.00 H new ATOM 1064 N THR A 71 -12.188 2.032 3.318 1.00 0.00 N ATOM 1065 CA THR A 71 -12.780 2.813 4.443 1.00 0.00 C ATOM 1066 C THR A 71 -13.876 3.738 3.906 1.00 0.00 C ATOM 1067 O THR A 71 -13.629 4.607 3.096 1.00 0.00 O ATOM 1068 CB THR A 71 -11.683 3.642 5.111 1.00 0.00 C ATOM 1069 OG1 THR A 71 -10.447 2.948 5.019 1.00 0.00 O ATOM 1070 CG2 THR A 71 -12.036 3.867 6.573 1.00 0.00 C ATOM 0 H THR A 71 -12.339 2.424 2.389 1.00 0.00 H new ATOM 0 HA THR A 71 -13.216 2.132 5.173 1.00 0.00 H new ATOM 0 HB THR A 71 -11.596 4.606 4.609 1.00 0.00 H new ATOM 0 HG1 THR A 71 -9.778 3.395 5.579 1.00 0.00 H new ATOM 0 HG21 THR A 71 -11.254 4.458 7.049 1.00 0.00 H new ATOM 0 HG22 THR A 71 -12.985 4.399 6.640 1.00 0.00 H new ATOM 0 HG23 THR A 71 -12.123 2.905 7.079 1.00 0.00 H new ATOM 1078 N CYS A 72 -15.090 3.555 4.351 1.00 0.00 N ATOM 1079 CA CYS A 72 -16.200 4.422 3.864 1.00 0.00 C ATOM 1080 C CYS A 72 -16.435 5.558 4.868 1.00 0.00 C ATOM 1081 O CYS A 72 -16.388 5.356 6.065 1.00 0.00 O ATOM 1082 CB CYS A 72 -17.473 3.584 3.725 1.00 0.00 C ATOM 1083 SG CYS A 72 -17.146 2.163 2.652 1.00 0.00 S ATOM 0 H CYS A 72 -15.360 2.843 5.030 1.00 0.00 H new ATOM 0 HA CYS A 72 -15.938 4.846 2.894 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -17.806 3.244 4.706 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -18.277 4.191 3.308 1.00 0.00 H new ATOM 1088 N ALA A 73 -16.681 6.752 4.393 1.00 0.00 N ATOM 1089 CA ALA A 73 -16.908 7.894 5.324 1.00 0.00 C ATOM 1090 C ALA A 73 -18.259 7.757 6.016 1.00 0.00 C ATOM 1091 O ALA A 73 -18.979 6.798 5.823 1.00 0.00 O ATOM 1092 CB ALA A 73 -16.922 9.198 4.542 1.00 0.00 C ATOM 0 H ALA A 73 -16.734 6.984 3.401 1.00 0.00 H new ATOM 0 HA ALA A 73 -16.106 7.892 6.062 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -17.088 10.030 5.226 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -15.965 9.329 4.036 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -17.723 9.170 3.803 1.00 0.00 H new ATOM 1098 N GLU A 74 -18.619 8.736 6.802 1.00 0.00 N ATOM 1099 CA GLU A 74 -19.910 8.713 7.480 1.00 0.00 C ATOM 1100 C GLU A 74 -20.964 9.186 6.503 1.00 0.00 C ATOM 1101 O GLU A 74 -21.126 10.355 6.215 1.00 0.00 O ATOM 1102 CB GLU A 74 -19.849 9.617 8.684 1.00 0.00 C ATOM 1103 CG GLU A 74 -21.254 9.827 9.190 1.00 0.00 C ATOM 1104 CD GLU A 74 -21.263 9.849 10.719 1.00 0.00 C ATOM 1105 OE1 GLU A 74 -20.371 9.258 11.306 1.00 0.00 O ATOM 1106 OE2 GLU A 74 -22.162 10.455 11.278 1.00 0.00 O ATOM 0 H GLU A 74 -18.049 9.559 6.995 1.00 0.00 H new ATOM 0 HA GLU A 74 -20.158 7.707 7.818 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -19.228 9.172 9.462 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -19.394 10.572 8.420 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -21.652 10.765 8.803 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -21.903 9.031 8.826 1.00 0.00 H new ATOM 1113 N GLY A 75 -21.650 8.246 6.000 1.00 0.00 N ATOM 1114 CA GLY A 75 -22.726 8.501 5.001 1.00 0.00 C ATOM 1115 C GLY A 75 -22.408 7.746 3.720 1.00 0.00 C ATOM 1116 O GLY A 75 -22.863 8.094 2.649 1.00 0.00 O ATOM 0 H GLY A 75 -21.522 7.262 6.235 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -23.690 8.180 5.397 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -22.804 9.569 4.798 1.00 0.00 H new ATOM 1120 N PHE A 76 -21.603 6.737 3.819 1.00 0.00 N ATOM 1121 CA PHE A 76 -21.215 5.978 2.615 1.00 0.00 C ATOM 1122 C PHE A 76 -21.728 4.537 2.733 1.00 0.00 C ATOM 1123 O PHE A 76 -22.138 4.107 3.793 1.00 0.00 O ATOM 1124 CB PHE A 76 -19.698 6.022 2.529 1.00 0.00 C ATOM 1125 CG PHE A 76 -19.297 7.451 2.253 1.00 0.00 C ATOM 1126 CD1 PHE A 76 -19.627 8.473 3.159 1.00 0.00 C ATOM 1127 CD2 PHE A 76 -18.627 7.758 1.074 1.00 0.00 C ATOM 1128 CE1 PHE A 76 -19.282 9.799 2.873 1.00 0.00 C ATOM 1129 CE2 PHE A 76 -18.276 9.087 0.790 1.00 0.00 C ATOM 1130 CZ PHE A 76 -18.607 10.106 1.689 1.00 0.00 C ATOM 0 H PHE A 76 -21.194 6.403 4.692 1.00 0.00 H new ATOM 0 HA PHE A 76 -21.648 6.406 1.711 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -19.252 5.672 3.460 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -19.340 5.364 1.737 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -20.147 8.236 4.076 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -18.376 6.973 0.376 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -19.538 10.585 3.568 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -17.750 9.323 -0.123 1.00 0.00 H new ATOM 0 HZ PHE A 76 -18.341 11.129 1.468 1.00 0.00 H new ATOM 1140 N GLU A 77 -21.727 3.786 1.661 1.00 0.00 N ATOM 1141 CA GLU A 77 -22.238 2.381 1.752 1.00 0.00 C ATOM 1142 C GLU A 77 -21.711 1.545 0.588 1.00 0.00 C ATOM 1143 O GLU A 77 -21.132 2.054 -0.346 1.00 0.00 O ATOM 1144 CB GLU A 77 -23.767 2.387 1.699 1.00 0.00 C ATOM 1145 CG GLU A 77 -24.327 2.167 3.106 1.00 0.00 C ATOM 1146 CD GLU A 77 -25.758 1.637 3.009 1.00 0.00 C ATOM 1147 OE1 GLU A 77 -26.340 1.749 1.943 1.00 0.00 O ATOM 1148 OE2 GLU A 77 -26.248 1.127 4.003 1.00 0.00 O ATOM 0 H GLU A 77 -21.400 4.077 0.740 1.00 0.00 H new ATOM 0 HA GLU A 77 -21.895 1.949 2.692 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -24.124 3.336 1.298 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -24.121 1.604 1.028 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -23.702 1.459 3.651 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -24.312 3.102 3.665 1.00 0.00 H new ATOM 1155 N GLY A 78 -21.922 0.258 0.637 1.00 0.00 N ATOM 1156 CA GLY A 78 -21.446 -0.623 -0.465 1.00 0.00 C ATOM 1157 C GLY A 78 -20.047 -1.143 -0.140 1.00 0.00 C ATOM 1158 O GLY A 78 -19.380 -0.648 0.746 1.00 0.00 O ATOM 0 H GLY A 78 -22.405 -0.222 1.396 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -22.133 -1.459 -0.598 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -21.430 -0.070 -1.404 1.00 0.00 H new ATOM 1162 N LYS A 79 -19.595 -2.139 -0.852 1.00 0.00 N ATOM 1163 CA LYS A 79 -18.239 -2.686 -0.584 1.00 0.00 C ATOM 1164 C LYS A 79 -17.220 -1.562 -0.681 1.00 0.00 C ATOM 1165 O LYS A 79 -16.469 -1.293 0.235 1.00 0.00 O ATOM 1166 CB LYS A 79 -17.914 -3.763 -1.615 1.00 0.00 C ATOM 1167 CG LYS A 79 -16.972 -4.801 -1.001 1.00 0.00 C ATOM 1168 CD LYS A 79 -15.585 -4.188 -0.803 1.00 0.00 C ATOM 1169 CE LYS A 79 -14.724 -5.135 0.034 1.00 0.00 C ATOM 1170 NZ LYS A 79 -13.287 -4.926 -0.302 1.00 0.00 N ATOM 0 H LYS A 79 -20.107 -2.596 -1.607 1.00 0.00 H new ATOM 0 HA LYS A 79 -18.208 -3.122 0.415 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -18.831 -4.245 -1.952 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -17.450 -3.312 -2.492 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -17.368 -5.145 -0.045 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -16.905 -5.674 -1.650 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -15.113 -4.009 -1.769 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -15.670 -3.222 -0.306 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -14.891 -4.953 1.096 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -15.007 -6.169 -0.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -12.700 -5.570 0.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -13.135 -5.120 -1.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.022 -3.942 -0.095 1.00 0.00 H new ATOM 1184 N ASN A 80 -17.203 -0.912 -1.792 1.00 0.00 N ATOM 1185 CA ASN A 80 -16.249 0.212 -2.000 1.00 0.00 C ATOM 1186 C ASN A 80 -16.938 1.528 -1.639 1.00 0.00 C ATOM 1187 O ASN A 80 -16.645 2.564 -2.194 1.00 0.00 O ATOM 1188 CB ASN A 80 -15.821 0.247 -3.471 1.00 0.00 C ATOM 1189 CG ASN A 80 -15.736 -1.182 -4.011 1.00 0.00 C ATOM 1190 OD1 ASN A 80 -15.553 -2.117 -3.258 1.00 0.00 O ATOM 1191 ND2 ASN A 80 -15.862 -1.392 -5.293 1.00 0.00 N ATOM 0 H ASN A 80 -17.815 -1.107 -2.584 1.00 0.00 H new ATOM 0 HA ASN A 80 -15.371 0.073 -1.369 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -16.536 0.826 -4.055 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -14.855 0.742 -3.568 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -15.807 -2.341 -5.662 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -16.016 -0.607 -5.926 1.00 0.00 H new ATOM 1198 N CYS A 81 -17.861 1.500 -0.719 1.00 0.00 N ATOM 1199 CA CYS A 81 -18.561 2.761 -0.349 1.00 0.00 C ATOM 1200 C CYS A 81 -19.289 3.299 -1.588 1.00 0.00 C ATOM 1201 O CYS A 81 -19.710 4.435 -1.632 1.00 0.00 O ATOM 1202 CB CYS A 81 -17.533 3.792 0.126 1.00 0.00 C ATOM 1203 SG CYS A 81 -16.212 2.960 1.047 1.00 0.00 S ATOM 0 H CYS A 81 -18.159 0.667 -0.211 1.00 0.00 H new ATOM 0 HA CYS A 81 -19.276 2.571 0.451 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -17.114 4.323 -0.729 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -18.016 4.537 0.758 1.00 0.00 H new ATOM 1208 N GLU A 82 -19.426 2.479 -2.595 1.00 0.00 N ATOM 1209 CA GLU A 82 -20.103 2.903 -3.851 1.00 0.00 C ATOM 1210 C GLU A 82 -21.390 3.679 -3.559 1.00 0.00 C ATOM 1211 O GLU A 82 -21.659 4.704 -4.154 1.00 0.00 O ATOM 1212 CB GLU A 82 -20.452 1.652 -4.654 1.00 0.00 C ATOM 1213 CG GLU A 82 -20.678 2.042 -6.106 1.00 0.00 C ATOM 1214 CD GLU A 82 -20.769 0.783 -6.971 1.00 0.00 C ATOM 1215 OE1 GLU A 82 -21.857 0.240 -7.080 1.00 0.00 O ATOM 1216 OE2 GLU A 82 -19.750 0.384 -7.511 1.00 0.00 O ATOM 0 H GLU A 82 -19.090 1.516 -2.598 1.00 0.00 H new ATOM 0 HA GLU A 82 -19.431 3.556 -4.407 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -19.646 0.921 -4.582 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -21.347 1.181 -4.247 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -21.595 2.625 -6.197 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -19.862 2.675 -6.454 1.00 0.00 H new ATOM 1223 N PHE A 83 -22.197 3.179 -2.675 1.00 0.00 N ATOM 1224 CA PHE A 83 -23.488 3.859 -2.362 1.00 0.00 C ATOM 1225 C PHE A 83 -23.269 5.013 -1.386 1.00 0.00 C ATOM 1226 O PHE A 83 -23.451 4.870 -0.193 1.00 0.00 O ATOM 1227 CB PHE A 83 -24.467 2.872 -1.722 1.00 0.00 C ATOM 1228 CG PHE A 83 -24.285 1.496 -2.293 1.00 0.00 C ATOM 1229 CD1 PHE A 83 -23.858 1.329 -3.611 1.00 0.00 C ATOM 1230 CD2 PHE A 83 -24.567 0.386 -1.498 1.00 0.00 C ATOM 1231 CE1 PHE A 83 -23.708 0.042 -4.134 1.00 0.00 C ATOM 1232 CE2 PHE A 83 -24.421 -0.898 -2.017 1.00 0.00 C ATOM 1233 CZ PHE A 83 -23.990 -1.074 -3.338 1.00 0.00 C ATOM 0 H PHE A 83 -22.022 2.323 -2.149 1.00 0.00 H new ATOM 0 HA PHE A 83 -23.895 4.240 -3.298 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -24.312 2.847 -0.643 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -25.490 3.208 -1.889 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -23.644 2.192 -4.225 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -24.899 0.522 -0.479 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -23.374 -0.092 -5.152 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -24.640 -1.758 -1.401 1.00 0.00 H new ATOM 0 HZ PHE A 83 -23.875 -2.069 -3.742 1.00 0.00 H new ATOM 1243 N SER A 84 -22.911 6.160 -1.879 1.00 0.00 N ATOM 1244 CA SER A 84 -22.719 7.324 -0.968 1.00 0.00 C ATOM 1245 C SER A 84 -24.083 7.702 -0.382 1.00 0.00 C ATOM 1246 O SER A 84 -24.847 8.427 -0.987 1.00 0.00 O ATOM 1247 CB SER A 84 -22.150 8.506 -1.756 1.00 0.00 C ATOM 1248 OG SER A 84 -22.426 8.324 -3.139 1.00 0.00 O ATOM 0 H SER A 84 -22.743 6.346 -2.868 1.00 0.00 H new ATOM 0 HA SER A 84 -22.023 7.068 -0.169 1.00 0.00 H new ATOM 0 HB2 SER A 84 -22.592 9.439 -1.405 1.00 0.00 H new ATOM 0 HB3 SER A 84 -21.075 8.582 -1.595 1.00 0.00 H new ATOM 0 HG SER A 84 -21.735 7.755 -3.538 1.00 0.00 H new ATOM 1254 N THR A 85 -24.406 7.197 0.780 1.00 0.00 N ATOM 1255 CA THR A 85 -25.734 7.508 1.386 1.00 0.00 C ATOM 1256 C THR A 85 -25.990 9.005 1.351 1.00 0.00 C ATOM 1257 O THR A 85 -27.113 9.462 1.278 1.00 0.00 O ATOM 1258 CB THR A 85 -25.769 7.017 2.831 1.00 0.00 C ATOM 1259 OG1 THR A 85 -24.974 7.868 3.643 1.00 0.00 O ATOM 1260 CG2 THR A 85 -25.223 5.598 2.877 1.00 0.00 C ATOM 0 H THR A 85 -23.809 6.584 1.335 1.00 0.00 H new ATOM 0 HA THR A 85 -26.510 7.002 0.811 1.00 0.00 H new ATOM 0 HB THR A 85 -26.793 7.030 3.205 1.00 0.00 H new ATOM 0 HG1 THR A 85 -24.332 8.350 3.081 1.00 0.00 H new ATOM 0 HG21 THR A 85 -25.242 5.234 3.904 1.00 0.00 H new ATOM 0 HG22 THR A 85 -25.838 4.951 2.251 1.00 0.00 H new ATOM 0 HG23 THR A 85 -24.197 5.591 2.508 1.00 0.00 H new ATOM 1268 N ARG A 86 -24.950 9.764 1.407 1.00 0.00 N ATOM 1269 CA ARG A 86 -25.099 11.245 1.381 1.00 0.00 C ATOM 1270 C ARG A 86 -24.039 11.852 0.462 1.00 0.00 C ATOM 1271 O ARG A 86 -24.103 13.047 0.225 1.00 0.00 O ATOM 1272 CB ARG A 86 -24.930 11.807 2.786 1.00 0.00 C ATOM 1273 CG ARG A 86 -25.627 10.904 3.810 1.00 0.00 C ATOM 1274 CD ARG A 86 -24.920 11.025 5.162 1.00 0.00 C ATOM 1275 NE ARG A 86 -25.401 12.246 5.870 1.00 0.00 N ATOM 1276 CZ ARG A 86 -25.163 12.402 7.145 1.00 0.00 C ATOM 1277 NH1 ARG A 86 -24.506 11.489 7.809 1.00 0.00 N ATOM 1278 NH2 ARG A 86 -25.582 13.475 7.759 1.00 0.00 N ATOM 1279 OXT ARG A 86 -23.180 11.112 0.011 1.00 0.00 O ATOM 0 H ARG A 86 -23.989 9.428 1.470 1.00 0.00 H new ATOM 0 HA ARG A 86 -26.092 11.496 1.009 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -23.870 11.890 3.026 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -25.347 12.813 2.835 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -26.674 11.189 3.909 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -25.609 9.869 3.470 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -25.117 10.140 5.767 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -23.841 11.078 5.016 1.00 0.00 H new ATOM 0 HE ARG A 86 -25.917 12.961 5.358 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -24.176 10.650 7.332 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -24.323 11.615 8.804 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -26.095 14.190 7.243 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -25.397 13.598 8.754 1.00 0.00 H new