USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=11 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= -10.6! C(o=-10!,f=-18!) USER MOD Set 1.2: A 84 SER OG : rot 53:sc= 0.178 USER MOD Single : A 23 SER OG : rot 180:sc= -0.338 USER MOD Single : A 36 GLN : amide:sc= -2.27! C(o=-2.3!,f=-4!) USER MOD Single : A 37 THR OG1 : rot 82:sc= -5.71! USER MOD Single : A 42 SER OG : rot 180:sc= -0.921! USER MOD Single : A 43 LYS NZ :NH3+ -124:sc= -0.771 (180deg=-2.54!) USER MOD Single : A 44 TYR OH : rot -100:sc= -3.18! USER MOD Single : A 45 LYS NZ :NH3+ -143:sc= -0.103 (180deg=-0.917) USER MOD Single : A 49 GLN : amide:sc= -5.7! C(o=-5.7!,f=-9.8!) USER MOD Single : A 53 HIS : no HD1:sc= -1.21 K(o=-1.2,f=-2.2!) USER MOD Single : A 58 GLN : amide:sc= -2.14 K(o=-2.1,f=-3.1!) USER MOD Single : A 60 HIS : no HD1:sc= -0.73 X(o=-0.73,f=-0.34) 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 180:sc= -2.2! USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.722 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -2.89 K(o=-2.9,f=-9.9!) USER MOD Single : A 85 THR OG1 : rot -24:sc= -5.15! USER MOD ----------------------------------------------------------------- ATOM 264 N CYS A 17 4.238 -0.980 -2.496 1.00 0.00 N ATOM 265 CA CYS A 17 3.985 -1.000 -3.979 1.00 0.00 C ATOM 266 C CYS A 17 3.446 -2.352 -4.425 1.00 0.00 C ATOM 267 O CYS A 17 4.035 -3.049 -5.223 1.00 0.00 O ATOM 268 CB CYS A 17 5.253 -0.696 -4.753 1.00 0.00 C ATOM 269 SG CYS A 17 6.613 -1.734 -4.170 1.00 0.00 S ATOM 0 HA CYS A 17 3.242 -0.230 -4.187 1.00 0.00 H new ATOM 0 HB2 CYS A 17 5.087 -0.867 -5.817 1.00 0.00 H new ATOM 0 HB3 CYS A 17 5.514 0.356 -4.636 1.00 0.00 H new ATOM 274 N LEU A 18 2.334 -2.724 -3.890 1.00 0.00 N ATOM 275 CA LEU A 18 1.728 -4.037 -4.248 1.00 0.00 C ATOM 276 C LEU A 18 0.989 -3.913 -5.579 1.00 0.00 C ATOM 277 O LEU A 18 0.406 -4.860 -6.069 1.00 0.00 O ATOM 278 CB LEU A 18 0.750 -4.470 -3.155 1.00 0.00 C ATOM 279 CG LEU A 18 1.111 -5.879 -2.685 1.00 0.00 C ATOM 280 CD1 LEU A 18 0.976 -6.855 -3.854 1.00 0.00 C ATOM 281 CD2 LEU A 18 2.555 -5.890 -2.177 1.00 0.00 C ATOM 0 H LEU A 18 1.806 -2.176 -3.211 1.00 0.00 H new ATOM 0 HA LEU A 18 2.516 -4.784 -4.340 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.790 -3.773 -2.318 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.271 -4.452 -3.536 1.00 0.00 H new ATOM 0 HG LEU A 18 0.439 -6.179 -1.881 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.233 -7.860 -3.520 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.051 -6.846 -4.219 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.649 -6.556 -4.657 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.815 -6.894 -1.841 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.226 -5.592 -2.982 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.653 -5.192 -1.345 1.00 0.00 H new ATOM 327 N ALA A 21 2.730 0.206 -9.086 1.00 0.00 N ATOM 328 CA ALA A 21 3.688 1.191 -8.510 1.00 0.00 C ATOM 329 C ALA A 21 5.068 0.557 -8.371 1.00 0.00 C ATOM 330 O ALA A 21 6.069 1.237 -8.272 1.00 0.00 O ATOM 331 CB ALA A 21 3.194 1.643 -7.135 1.00 0.00 C ATOM 0 HA ALA A 21 3.755 2.052 -9.175 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.896 2.363 -6.715 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.213 2.108 -7.236 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.120 0.780 -6.473 1.00 0.00 H new ATOM 337 N CYS A 22 5.128 -0.738 -8.367 1.00 0.00 N ATOM 338 CA CYS A 22 6.446 -1.422 -8.237 1.00 0.00 C ATOM 339 C CYS A 22 6.224 -2.928 -8.062 1.00 0.00 C ATOM 340 O CYS A 22 7.054 -3.730 -8.437 1.00 0.00 O ATOM 341 CB CYS A 22 7.213 -0.814 -7.032 1.00 0.00 C ATOM 342 SG CYS A 22 7.729 -2.081 -5.824 1.00 0.00 S ATOM 0 H CYS A 22 4.323 -1.359 -8.448 1.00 0.00 H new ATOM 0 HA CYS A 22 7.045 -1.274 -9.136 1.00 0.00 H new ATOM 0 HB2 CYS A 22 8.093 -0.283 -7.395 1.00 0.00 H new ATOM 0 HB3 CYS A 22 6.580 -0.079 -6.535 1.00 0.00 H new ATOM 347 N SER A 23 5.121 -3.310 -7.483 1.00 0.00 N ATOM 348 CA SER A 23 4.854 -4.760 -7.262 1.00 0.00 C ATOM 349 C SER A 23 5.688 -5.234 -6.064 1.00 0.00 C ATOM 350 O SER A 23 5.181 -5.406 -4.974 1.00 0.00 O ATOM 351 CB SER A 23 5.233 -5.554 -8.516 1.00 0.00 C ATOM 352 OG SER A 23 4.856 -4.815 -9.671 1.00 0.00 O ATOM 0 H SER A 23 4.390 -2.680 -7.152 1.00 0.00 H new ATOM 0 HA SER A 23 3.795 -4.919 -7.059 1.00 0.00 H new ATOM 0 HB2 SER A 23 6.306 -5.747 -8.528 1.00 0.00 H new ATOM 0 HB3 SER A 23 4.734 -6.523 -8.511 1.00 0.00 H new ATOM 0 HG SER A 23 5.099 -5.319 -10.476 1.00 0.00 H new ATOM 358 N LEU A 24 6.967 -5.429 -6.255 1.00 0.00 N ATOM 359 CA LEU A 24 7.839 -5.872 -5.130 1.00 0.00 C ATOM 360 C LEU A 24 9.299 -5.600 -5.500 1.00 0.00 C ATOM 361 O LEU A 24 10.207 -6.241 -5.007 1.00 0.00 O ATOM 362 CB LEU A 24 7.643 -7.368 -4.884 1.00 0.00 C ATOM 363 CG LEU A 24 7.725 -7.648 -3.384 1.00 0.00 C ATOM 364 CD1 LEU A 24 9.022 -7.061 -2.828 1.00 0.00 C ATOM 365 CD2 LEU A 24 6.530 -7.001 -2.680 1.00 0.00 C ATOM 0 H LEU A 24 7.446 -5.299 -7.146 1.00 0.00 H new ATOM 0 HA LEU A 24 7.578 -5.326 -4.224 1.00 0.00 H new ATOM 0 HB2 LEU A 24 6.677 -7.689 -5.273 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.406 -7.938 -5.414 1.00 0.00 H new ATOM 0 HG LEU A 24 7.710 -8.724 -3.212 1.00 0.00 H new ATOM 0 HD11 LEU A 24 9.082 -7.260 -1.758 1.00 0.00 H new ATOM 0 HD12 LEU A 24 9.874 -7.519 -3.331 1.00 0.00 H new ATOM 0 HD13 LEU A 24 9.037 -5.984 -2.998 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.587 -7.200 -1.610 1.00 0.00 H new ATOM 0 HD22 LEU A 24 6.546 -5.925 -2.851 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.604 -7.417 -3.078 1.00 0.00 H new ATOM 411 N ALA A 27 10.244 -1.934 -2.987 1.00 0.00 N ATOM 412 CA ALA A 27 9.852 -2.287 -1.583 1.00 0.00 C ATOM 413 C ALA A 27 10.941 -3.156 -0.950 1.00 0.00 C ATOM 414 O ALA A 27 11.132 -3.158 0.250 1.00 0.00 O ATOM 415 CB ALA A 27 8.525 -3.056 -1.586 1.00 0.00 C ATOM 0 HA ALA A 27 9.733 -1.370 -1.006 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.248 -3.308 -0.562 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.746 -2.436 -2.030 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.636 -3.971 -2.168 1.00 0.00 H new ATOM 421 N ARG A 28 11.659 -3.891 -1.751 1.00 0.00 N ATOM 422 CA ARG A 28 12.739 -4.759 -1.212 1.00 0.00 C ATOM 423 C ARG A 28 13.655 -3.971 -0.284 1.00 0.00 C ATOM 424 O ARG A 28 13.681 -4.169 0.915 1.00 0.00 O ATOM 425 CB ARG A 28 13.556 -5.314 -2.368 1.00 0.00 C ATOM 426 CG ARG A 28 13.458 -6.839 -2.381 1.00 0.00 C ATOM 427 CD ARG A 28 14.775 -7.426 -2.869 1.00 0.00 C ATOM 428 NE ARG A 28 14.510 -8.478 -3.901 1.00 0.00 N ATOM 429 CZ ARG A 28 13.662 -9.449 -3.679 1.00 0.00 C ATOM 430 NH1 ARG A 28 13.149 -9.627 -2.491 1.00 0.00 N ATOM 431 NH2 ARG A 28 13.365 -10.279 -4.641 1.00 0.00 N ATOM 0 H ARG A 28 11.542 -3.927 -2.764 1.00 0.00 H new ATOM 0 HA ARG A 28 12.284 -5.571 -0.645 1.00 0.00 H new ATOM 0 HB2 ARG A 28 13.191 -4.908 -3.312 1.00 0.00 H new ATOM 0 HB3 ARG A 28 14.597 -5.007 -2.270 1.00 0.00 H new ATOM 0 HG2 ARG A 28 13.231 -7.208 -1.381 1.00 0.00 H new ATOM 0 HG3 ARG A 28 12.643 -7.157 -3.031 1.00 0.00 H new ATOM 0 HD2 ARG A 28 15.400 -6.639 -3.291 1.00 0.00 H new ATOM 0 HD3 ARG A 28 15.325 -7.855 -2.032 1.00 0.00 H new ATOM 0 HE ARG A 28 15.000 -8.437 -4.795 1.00 0.00 H new ATOM 0 HH11 ARG A 28 13.409 -9.006 -1.725 1.00 0.00 H new ATOM 0 HH12 ARG A 28 12.489 -10.387 -2.329 1.00 0.00 H new ATOM 0 HH21 ARG A 28 13.793 -10.169 -5.560 1.00 0.00 H new ATOM 0 HH22 ARG A 28 12.704 -11.038 -4.474 1.00 0.00 H new ATOM 462 N VAL A 30 13.632 -0.615 -0.116 1.00 0.00 N ATOM 463 CA VAL A 30 13.110 0.775 0.038 1.00 0.00 C ATOM 464 C VAL A 30 12.858 1.067 1.523 1.00 0.00 C ATOM 465 O VAL A 30 12.783 2.207 1.937 1.00 0.00 O ATOM 466 CB VAL A 30 11.817 0.926 -0.788 1.00 0.00 C ATOM 467 CG1 VAL A 30 10.569 0.829 0.098 1.00 0.00 C ATOM 468 CG2 VAL A 30 11.828 2.281 -1.496 1.00 0.00 C ATOM 0 HA VAL A 30 13.841 1.495 -0.330 1.00 0.00 H new ATOM 0 HB VAL A 30 11.781 0.115 -1.515 1.00 0.00 H new ATOM 0 HG11 VAL A 30 9.676 0.940 -0.518 1.00 0.00 H new ATOM 0 HG12 VAL A 30 10.550 -0.141 0.594 1.00 0.00 H new ATOM 0 HG13 VAL A 30 10.593 1.620 0.848 1.00 0.00 H new ATOM 0 HG21 VAL A 30 10.916 2.393 -2.082 1.00 0.00 H new ATOM 0 HG22 VAL A 30 11.884 3.078 -0.755 1.00 0.00 H new ATOM 0 HG23 VAL A 30 12.693 2.339 -2.157 1.00 0.00 H new ATOM 478 N PHE A 31 12.728 0.045 2.326 1.00 0.00 N ATOM 479 CA PHE A 31 12.486 0.272 3.783 1.00 0.00 C ATOM 480 C PHE A 31 13.786 0.092 4.570 1.00 0.00 C ATOM 481 O PHE A 31 14.131 -1.003 4.967 1.00 0.00 O ATOM 482 CB PHE A 31 11.463 -0.733 4.317 1.00 0.00 C ATOM 483 CG PHE A 31 10.160 -0.591 3.573 1.00 0.00 C ATOM 484 CD1 PHE A 31 9.194 0.315 4.025 1.00 0.00 C ATOM 485 CD2 PHE A 31 9.913 -1.367 2.434 1.00 0.00 C ATOM 486 CE1 PHE A 31 7.982 0.447 3.340 1.00 0.00 C ATOM 487 CE2 PHE A 31 8.700 -1.234 1.747 1.00 0.00 C ATOM 488 CZ PHE A 31 7.735 -0.326 2.200 1.00 0.00 C ATOM 0 H PHE A 31 12.778 -0.933 2.040 1.00 0.00 H new ATOM 0 HA PHE A 31 12.110 1.288 3.906 1.00 0.00 H new ATOM 0 HB2 PHE A 31 11.846 -1.747 4.205 1.00 0.00 H new ATOM 0 HB3 PHE A 31 11.302 -0.569 5.382 1.00 0.00 H new ATOM 0 HD1 PHE A 31 9.385 0.913 4.904 1.00 0.00 H new ATOM 0 HD2 PHE A 31 10.657 -2.068 2.086 1.00 0.00 H new ATOM 0 HE1 PHE A 31 7.237 1.145 3.691 1.00 0.00 H new ATOM 0 HE2 PHE A 31 8.509 -1.832 0.868 1.00 0.00 H new ATOM 0 HZ PHE A 31 6.800 -0.222 1.669 1.00 0.00 H new ATOM 515 N ASP A 33 14.147 0.775 7.394 1.00 0.00 N ATOM 516 CA ASP A 33 13.685 0.401 8.756 1.00 0.00 C ATOM 517 C ASP A 33 14.314 -0.914 9.207 1.00 0.00 C ATOM 518 O ASP A 33 14.386 -1.867 8.461 1.00 0.00 O ATOM 519 CB ASP A 33 12.170 0.267 8.745 1.00 0.00 C ATOM 520 CG ASP A 33 11.541 1.524 9.350 1.00 0.00 C ATOM 521 OD1 ASP A 33 11.396 2.497 8.628 1.00 0.00 O ATOM 522 OD2 ASP A 33 11.218 1.493 10.526 1.00 0.00 O ATOM 0 HA ASP A 33 13.989 1.179 9.456 1.00 0.00 H new ATOM 0 HB2 ASP A 33 11.814 0.125 7.724 1.00 0.00 H new ATOM 0 HB3 ASP A 33 11.868 -0.613 9.313 1.00 0.00 H new ATOM 527 N ALA A 34 14.758 -0.969 10.440 1.00 0.00 N ATOM 528 CA ALA A 34 15.368 -2.223 10.968 1.00 0.00 C ATOM 529 C ALA A 34 14.244 -3.172 11.377 1.00 0.00 C ATOM 530 O ALA A 34 14.326 -4.371 11.206 1.00 0.00 O ATOM 531 CB ALA A 34 16.241 -1.903 12.176 1.00 0.00 C ATOM 0 H ALA A 34 14.722 -0.195 11.103 1.00 0.00 H new ATOM 0 HA ALA A 34 15.989 -2.688 10.202 1.00 0.00 H new ATOM 0 HB1 ALA A 34 16.684 -2.822 12.558 1.00 0.00 H new ATOM 0 HB2 ALA A 34 17.032 -1.214 11.881 1.00 0.00 H new ATOM 0 HB3 ALA A 34 15.631 -1.444 12.954 1.00 0.00 H new ATOM 554 N GLN A 36 10.872 -2.742 10.278 1.00 0.00 N ATOM 555 CA GLN A 36 10.137 -2.983 9.015 1.00 0.00 C ATOM 556 C GLN A 36 10.979 -3.910 8.162 1.00 0.00 C ATOM 557 O GLN A 36 10.465 -4.784 7.513 1.00 0.00 O ATOM 558 CB GLN A 36 9.865 -1.696 8.256 1.00 0.00 C ATOM 559 CG GLN A 36 9.256 -0.645 9.183 1.00 0.00 C ATOM 560 CD GLN A 36 8.899 0.600 8.369 1.00 0.00 C ATOM 561 OE1 GLN A 36 9.259 0.708 7.214 1.00 0.00 O ATOM 562 NE2 GLN A 36 8.200 1.552 8.926 1.00 0.00 N ATOM 0 HA GLN A 36 9.168 -3.425 9.248 1.00 0.00 H new ATOM 0 HB2 GLN A 36 10.793 -1.317 7.827 1.00 0.00 H new ATOM 0 HB3 GLN A 36 9.187 -1.893 7.426 1.00 0.00 H new ATOM 0 HG2 GLN A 36 8.365 -1.044 9.669 1.00 0.00 H new ATOM 0 HG3 GLN A 36 9.962 -0.387 9.973 1.00 0.00 H new ATOM 0 HE21 GLN A 36 7.897 1.462 9.896 1.00 0.00 H new ATOM 0 HE22 GLN A 36 7.957 2.386 8.391 1.00 0.00 H new ATOM 571 N THR A 37 12.283 -3.768 8.170 1.00 0.00 N ATOM 572 CA THR A 37 13.093 -4.719 7.345 1.00 0.00 C ATOM 573 C THR A 37 12.491 -6.112 7.540 1.00 0.00 C ATOM 574 O THR A 37 11.989 -6.711 6.627 1.00 0.00 O ATOM 575 CB THR A 37 14.562 -4.723 7.779 1.00 0.00 C ATOM 576 OG1 THR A 37 14.694 -4.064 9.021 1.00 0.00 O ATOM 577 CG2 THR A 37 15.407 -4.001 6.730 1.00 0.00 C ATOM 0 H THR A 37 12.806 -3.063 8.690 1.00 0.00 H new ATOM 0 HA THR A 37 13.066 -4.417 6.298 1.00 0.00 H new ATOM 0 HB THR A 37 14.904 -5.753 7.878 1.00 0.00 H new ATOM 0 HG1 THR A 37 14.464 -4.683 9.746 1.00 0.00 H new ATOM 0 HG21 THR A 37 16.452 -4.004 7.040 1.00 0.00 H new ATOM 0 HG22 THR A 37 15.311 -4.511 5.771 1.00 0.00 H new ATOM 0 HG23 THR A 37 15.062 -2.972 6.630 1.00 0.00 H new ATOM 585 N ASP A 38 12.477 -6.598 8.741 1.00 0.00 N ATOM 586 CA ASP A 38 11.850 -7.923 8.995 1.00 0.00 C ATOM 587 C ASP A 38 10.325 -7.759 9.124 1.00 0.00 C ATOM 588 O ASP A 38 9.601 -8.148 8.246 1.00 0.00 O ATOM 589 CB ASP A 38 12.451 -8.504 10.264 1.00 0.00 C ATOM 590 CG ASP A 38 11.537 -9.592 10.835 1.00 0.00 C ATOM 591 OD1 ASP A 38 10.477 -9.249 11.332 1.00 0.00 O ATOM 592 OD2 ASP A 38 11.915 -10.750 10.768 1.00 0.00 O ATOM 0 H ASP A 38 12.872 -6.138 9.561 1.00 0.00 H new ATOM 0 HA ASP A 38 12.043 -8.604 8.166 1.00 0.00 H new ATOM 0 HB2 ASP A 38 13.435 -8.921 10.050 1.00 0.00 H new ATOM 0 HB3 ASP A 38 12.593 -7.714 11.002 1.00 0.00 H new ATOM 614 N PHE A 40 8.073 -5.945 8.223 1.00 0.00 N ATOM 615 CA PHE A 40 7.522 -5.788 6.851 1.00 0.00 C ATOM 616 C PHE A 40 7.542 -7.153 6.139 1.00 0.00 C ATOM 617 O PHE A 40 6.528 -7.639 5.680 1.00 0.00 O ATOM 618 CB PHE A 40 8.422 -4.787 6.123 1.00 0.00 C ATOM 619 CG PHE A 40 7.699 -4.058 5.033 1.00 0.00 C ATOM 620 CD1 PHE A 40 7.634 -4.599 3.747 1.00 0.00 C ATOM 621 CD2 PHE A 40 7.124 -2.814 5.306 1.00 0.00 C ATOM 622 CE1 PHE A 40 6.987 -3.905 2.731 1.00 0.00 C ATOM 623 CE2 PHE A 40 6.478 -2.110 4.287 1.00 0.00 C ATOM 624 CZ PHE A 40 6.408 -2.656 2.999 1.00 0.00 C ATOM 0 HA PHE A 40 6.493 -5.430 6.867 1.00 0.00 H new ATOM 0 HB2 PHE A 40 8.814 -4.066 6.841 1.00 0.00 H new ATOM 0 HB3 PHE A 40 9.278 -5.313 5.699 1.00 0.00 H new ATOM 0 HD1 PHE A 40 8.087 -5.558 3.542 1.00 0.00 H new ATOM 0 HD2 PHE A 40 7.179 -2.398 6.301 1.00 0.00 H new ATOM 0 HE1 PHE A 40 6.930 -4.326 1.738 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.034 -1.147 4.492 1.00 0.00 H new ATOM 0 HZ PHE A 40 5.907 -2.114 2.211 1.00 0.00 H new ATOM 634 N TRP A 41 8.696 -7.765 6.039 1.00 0.00 N ATOM 635 CA TRP A 41 8.806 -9.089 5.353 1.00 0.00 C ATOM 636 C TRP A 41 8.301 -10.253 6.243 1.00 0.00 C ATOM 637 O TRP A 41 7.367 -10.940 5.889 1.00 0.00 O ATOM 638 CB TRP A 41 10.271 -9.347 5.000 1.00 0.00 C ATOM 639 CG TRP A 41 10.858 -8.243 4.183 1.00 0.00 C ATOM 640 CD1 TRP A 41 12.083 -7.723 4.410 1.00 0.00 C ATOM 641 CD2 TRP A 41 10.315 -7.530 3.026 1.00 0.00 C ATOM 642 NE1 TRP A 41 12.327 -6.726 3.485 1.00 0.00 N ATOM 643 CE2 TRP A 41 11.272 -6.572 2.607 1.00 0.00 C ATOM 644 CE3 TRP A 41 9.107 -7.611 2.308 1.00 0.00 C ATOM 645 CZ2 TRP A 41 11.036 -5.727 1.522 1.00 0.00 C ATOM 646 CZ3 TRP A 41 8.869 -6.763 1.214 1.00 0.00 C ATOM 647 CH2 TRP A 41 9.831 -5.824 0.823 1.00 0.00 C ATOM 0 H TRP A 41 9.575 -7.400 6.407 1.00 0.00 H new ATOM 0 HA TRP A 41 8.183 -9.051 4.459 1.00 0.00 H new ATOM 0 HB2 TRP A 41 10.848 -9.465 5.917 1.00 0.00 H new ATOM 0 HB3 TRP A 41 10.351 -10.285 4.451 1.00 0.00 H new ATOM 0 HD1 TRP A 41 12.763 -8.036 5.189 1.00 0.00 H new ATOM 0 HE1 TRP A 41 13.182 -6.171 3.454 1.00 0.00 H new ATOM 0 HE3 TRP A 41 8.357 -8.331 2.601 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 11.780 -5.003 1.225 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 7.938 -6.836 0.671 1.00 0.00 H new ATOM 0 HH2 TRP A 41 9.641 -5.175 -0.019 1.00 0.00 H new ATOM 658 N SER A 42 8.943 -10.512 7.362 1.00 0.00 N ATOM 659 CA SER A 42 8.548 -11.655 8.248 1.00 0.00 C ATOM 660 C SER A 42 7.036 -11.776 8.406 1.00 0.00 C ATOM 661 O SER A 42 6.423 -12.712 7.931 1.00 0.00 O ATOM 662 CB SER A 42 9.201 -11.467 9.624 1.00 0.00 C ATOM 663 OG SER A 42 8.204 -11.459 10.638 1.00 0.00 O ATOM 0 H SER A 42 9.737 -9.969 7.702 1.00 0.00 H new ATOM 0 HA SER A 42 8.894 -12.577 7.780 1.00 0.00 H new ATOM 0 HB2 SER A 42 9.914 -12.270 9.810 1.00 0.00 H new ATOM 0 HB3 SER A 42 9.761 -10.532 9.645 1.00 0.00 H new ATOM 0 HG SER A 42 8.629 -11.340 11.513 1.00 0.00 H new ATOM 669 N LYS A 43 6.442 -10.861 9.091 1.00 0.00 N ATOM 670 CA LYS A 43 4.965 -10.926 9.319 1.00 0.00 C ATOM 671 C LYS A 43 4.208 -10.436 8.081 1.00 0.00 C ATOM 672 O LYS A 43 3.139 -9.867 8.180 1.00 0.00 O ATOM 673 CB LYS A 43 4.606 -10.043 10.510 1.00 0.00 C ATOM 674 CG LYS A 43 5.048 -8.612 10.215 1.00 0.00 C ATOM 675 CD LYS A 43 4.235 -7.637 11.067 1.00 0.00 C ATOM 676 CE LYS A 43 4.259 -8.092 12.528 1.00 0.00 C ATOM 677 NZ LYS A 43 3.038 -8.896 12.818 1.00 0.00 N ATOM 0 H LYS A 43 6.909 -10.058 9.512 1.00 0.00 H new ATOM 0 HA LYS A 43 4.682 -11.960 9.517 1.00 0.00 H new ATOM 0 HB2 LYS A 43 3.532 -10.076 10.693 1.00 0.00 H new ATOM 0 HB3 LYS A 43 5.095 -10.410 11.412 1.00 0.00 H new ATOM 0 HG2 LYS A 43 6.111 -8.498 10.428 1.00 0.00 H new ATOM 0 HG3 LYS A 43 4.909 -8.389 9.157 1.00 0.00 H new ATOM 0 HD2 LYS A 43 4.647 -6.632 10.981 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.207 -7.592 10.706 1.00 0.00 H new ATOM 0 HE2 LYS A 43 5.153 -8.686 12.721 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.303 -7.226 13.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.527 -8.475 13.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.421 -8.905 11.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 3.312 -9.871 13.056 1.00 0.00 H new ATOM 691 N TYR A 44 4.748 -10.657 6.916 1.00 0.00 N ATOM 692 CA TYR A 44 4.066 -10.215 5.670 1.00 0.00 C ATOM 693 C TYR A 44 2.976 -11.221 5.270 1.00 0.00 C ATOM 694 O TYR A 44 2.711 -11.426 4.103 1.00 0.00 O ATOM 695 CB TYR A 44 5.095 -10.099 4.540 1.00 0.00 C ATOM 696 CG TYR A 44 4.466 -9.452 3.323 1.00 0.00 C ATOM 697 CD1 TYR A 44 3.124 -9.044 3.347 1.00 0.00 C ATOM 698 CD2 TYR A 44 5.228 -9.271 2.164 1.00 0.00 C ATOM 699 CE1 TYR A 44 2.549 -8.459 2.217 1.00 0.00 C ATOM 700 CE2 TYR A 44 4.654 -8.681 1.032 1.00 0.00 C ATOM 701 CZ TYR A 44 3.312 -8.276 1.058 1.00 0.00 C ATOM 702 OH TYR A 44 2.742 -7.700 -0.060 1.00 0.00 O ATOM 0 H TYR A 44 5.641 -11.129 6.773 1.00 0.00 H new ATOM 0 HA TYR A 44 3.601 -9.245 5.847 1.00 0.00 H new ATOM 0 HB2 TYR A 44 5.948 -9.509 4.875 1.00 0.00 H new ATOM 0 HB3 TYR A 44 5.474 -11.088 4.280 1.00 0.00 H new ATOM 0 HD1 TYR A 44 2.534 -9.183 4.241 1.00 0.00 H new ATOM 0 HD2 TYR A 44 6.261 -9.587 2.143 1.00 0.00 H new ATOM 0 HE1 TYR A 44 1.515 -8.148 2.237 1.00 0.00 H new ATOM 0 HE2 TYR A 44 5.244 -8.538 0.139 1.00 0.00 H new ATOM 0 HH TYR A 44 2.495 -8.401 -0.699 1.00 0.00 H new ATOM 712 N LYS A 45 2.324 -11.836 6.215 1.00 0.00 N ATOM 713 CA LYS A 45 1.242 -12.791 5.857 1.00 0.00 C ATOM 714 C LYS A 45 -0.085 -12.039 5.933 1.00 0.00 C ATOM 715 O LYS A 45 -1.090 -12.560 6.374 1.00 0.00 O ATOM 716 CB LYS A 45 1.234 -13.971 6.836 1.00 0.00 C ATOM 717 CG LYS A 45 1.564 -13.478 8.246 1.00 0.00 C ATOM 718 CD LYS A 45 0.882 -14.380 9.276 1.00 0.00 C ATOM 719 CE LYS A 45 -0.187 -13.580 10.021 1.00 0.00 C ATOM 720 NZ LYS A 45 0.456 -12.435 10.725 1.00 0.00 N ATOM 0 H LYS A 45 2.492 -11.720 7.214 1.00 0.00 H new ATOM 0 HA LYS A 45 1.400 -13.185 4.853 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.257 -14.454 6.829 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.962 -14.720 6.523 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.643 -13.483 8.401 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.229 -12.448 8.370 1.00 0.00 H new ATOM 0 HD2 LYS A 45 0.430 -15.239 8.781 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.618 -14.768 9.980 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.939 -13.215 9.321 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.702 -14.219 10.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.013 -12.283 11.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 1.462 -12.645 10.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 0.368 -11.577 10.144 1.00 0.00 H new ATOM 734 N ASP A 46 -0.079 -10.799 5.517 1.00 0.00 N ATOM 735 CA ASP A 46 -1.317 -9.974 5.571 1.00 0.00 C ATOM 736 C ASP A 46 -1.606 -9.377 4.192 1.00 0.00 C ATOM 737 O ASP A 46 -2.576 -8.670 4.005 1.00 0.00 O ATOM 738 CB ASP A 46 -1.106 -8.836 6.571 1.00 0.00 C ATOM 739 CG ASP A 46 -2.380 -8.627 7.393 1.00 0.00 C ATOM 740 OD1 ASP A 46 -3.417 -8.392 6.795 1.00 0.00 O ATOM 741 OD2 ASP A 46 -2.296 -8.708 8.608 1.00 0.00 O ATOM 0 H ASP A 46 0.739 -10.321 5.139 1.00 0.00 H new ATOM 0 HA ASP A 46 -2.157 -10.598 5.876 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -0.270 -9.069 7.231 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -0.848 -7.918 6.043 1.00 0.00 H new ATOM 746 N GLY A 47 -0.767 -9.639 3.228 1.00 0.00 N ATOM 747 CA GLY A 47 -1.000 -9.062 1.869 1.00 0.00 C ATOM 748 C GLY A 47 -0.717 -7.557 1.906 1.00 0.00 C ATOM 749 O GLY A 47 -0.952 -6.849 0.948 1.00 0.00 O ATOM 0 H GLY A 47 0.064 -10.223 3.319 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.353 -9.548 1.139 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.028 -9.243 1.555 1.00 0.00 H new ATOM 753 N ASP A 48 -0.211 -7.073 3.013 1.00 0.00 N ATOM 754 CA ASP A 48 0.105 -5.611 3.141 1.00 0.00 C ATOM 755 C ASP A 48 -1.145 -4.844 3.582 1.00 0.00 C ATOM 756 O ASP A 48 -1.125 -3.640 3.668 1.00 0.00 O ATOM 757 CB ASP A 48 0.647 -5.065 1.804 1.00 0.00 C ATOM 758 CG ASP A 48 -0.394 -4.185 1.093 1.00 0.00 C ATOM 759 OD1 ASP A 48 -1.535 -4.605 1.002 1.00 0.00 O ATOM 760 OD2 ASP A 48 -0.029 -3.106 0.655 1.00 0.00 O ATOM 0 H ASP A 48 -0.001 -7.630 3.841 1.00 0.00 H new ATOM 0 HA ASP A 48 0.876 -5.475 3.899 1.00 0.00 H new ATOM 0 HB2 ASP A 48 1.552 -4.485 1.986 1.00 0.00 H new ATOM 0 HB3 ASP A 48 0.926 -5.896 1.156 1.00 0.00 H new ATOM 765 N GLN A 49 -2.214 -5.539 3.876 1.00 0.00 N ATOM 766 CA GLN A 49 -3.469 -4.867 4.341 1.00 0.00 C ATOM 767 C GLN A 49 -4.295 -4.338 3.169 1.00 0.00 C ATOM 768 O GLN A 49 -5.491 -4.541 3.103 1.00 0.00 O ATOM 769 CB GLN A 49 -3.122 -3.729 5.296 1.00 0.00 C ATOM 770 CG GLN A 49 -2.348 -4.321 6.462 1.00 0.00 C ATOM 771 CD GLN A 49 -3.275 -5.214 7.288 1.00 0.00 C ATOM 772 OE1 GLN A 49 -4.418 -5.421 6.932 1.00 0.00 O ATOM 773 NE2 GLN A 49 -2.830 -5.753 8.388 1.00 0.00 N ATOM 0 H GLN A 49 -2.273 -6.555 3.813 1.00 0.00 H new ATOM 0 HA GLN A 49 -4.074 -5.609 4.862 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.526 -2.972 4.787 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -4.028 -3.237 5.649 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.501 -4.900 6.094 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.943 -3.524 7.085 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.871 -5.581 8.689 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.441 -6.347 8.948 1.00 0.00 H new ATOM 782 N CYS A 50 -3.682 -3.657 2.250 1.00 0.00 N ATOM 783 CA CYS A 50 -4.457 -3.115 1.095 1.00 0.00 C ATOM 784 C CYS A 50 -4.627 -4.202 0.030 1.00 0.00 C ATOM 785 O CYS A 50 -5.246 -3.987 -0.993 1.00 0.00 O ATOM 786 CB CYS A 50 -3.726 -1.911 0.493 1.00 0.00 C ATOM 787 SG CYS A 50 -4.858 -0.994 -0.589 1.00 0.00 S ATOM 0 H CYS A 50 -2.683 -3.450 2.243 1.00 0.00 H new ATOM 0 HA CYS A 50 -5.439 -2.797 1.444 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -3.359 -1.261 1.287 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -2.857 -2.246 -0.073 1.00 0.00 H new ATOM 792 N GLU A 51 -4.095 -5.374 0.264 1.00 0.00 N ATOM 793 CA GLU A 51 -4.244 -6.466 -0.730 1.00 0.00 C ATOM 794 C GLU A 51 -5.676 -7.001 -0.650 1.00 0.00 C ATOM 795 O GLU A 51 -6.288 -6.995 0.399 1.00 0.00 O ATOM 796 CB GLU A 51 -3.253 -7.590 -0.409 1.00 0.00 C ATOM 797 CG GLU A 51 -3.612 -8.842 -1.211 1.00 0.00 C ATOM 798 CD GLU A 51 -2.463 -9.849 -1.126 1.00 0.00 C ATOM 799 OE1 GLU A 51 -1.399 -9.466 -0.667 1.00 0.00 O ATOM 800 OE2 GLU A 51 -2.666 -10.985 -1.521 1.00 0.00 O ATOM 0 H GLU A 51 -3.565 -5.617 1.101 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.041 -6.092 -1.733 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.238 -7.272 -0.649 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.274 -7.812 0.658 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -4.528 -9.286 -0.822 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.802 -8.578 -2.251 1.00 0.00 H new ATOM 807 N GLY A 52 -6.223 -7.456 -1.742 1.00 0.00 N ATOM 808 CA GLY A 52 -7.618 -7.977 -1.707 1.00 0.00 C ATOM 809 C GLY A 52 -8.592 -6.843 -2.035 1.00 0.00 C ATOM 810 O GLY A 52 -9.792 -7.034 -2.075 1.00 0.00 O ATOM 0 H GLY A 52 -5.767 -7.490 -2.654 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.733 -8.789 -2.425 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.840 -8.388 -0.722 1.00 0.00 H new ATOM 814 N HIS A 53 -8.085 -5.664 -2.282 1.00 0.00 N ATOM 815 CA HIS A 53 -8.967 -4.527 -2.619 1.00 0.00 C ATOM 816 C HIS A 53 -10.029 -4.354 -1.528 1.00 0.00 C ATOM 817 O HIS A 53 -11.209 -4.492 -1.783 1.00 0.00 O ATOM 818 CB HIS A 53 -9.638 -4.797 -3.959 1.00 0.00 C ATOM 819 CG HIS A 53 -8.778 -5.703 -4.802 1.00 0.00 C ATOM 820 ND1 HIS A 53 -9.060 -7.051 -4.961 1.00 0.00 N ATOM 821 CD2 HIS A 53 -7.641 -5.469 -5.536 1.00 0.00 C ATOM 822 CE1 HIS A 53 -8.112 -7.572 -5.761 1.00 0.00 C ATOM 823 NE2 HIS A 53 -7.222 -6.651 -6.140 1.00 0.00 N ATOM 0 H HIS A 53 -7.089 -5.446 -2.263 1.00 0.00 H new ATOM 0 HA HIS A 53 -8.378 -3.612 -2.685 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -10.614 -5.256 -3.799 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -9.810 -3.857 -4.483 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -7.147 -4.513 -5.630 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -8.075 -8.609 -6.060 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -6.410 -6.785 -6.742 1.00 0.00 H new ATOM 831 N PRO A 54 -9.568 -4.049 -0.341 1.00 0.00 N ATOM 832 CA PRO A 54 -10.451 -3.841 0.821 1.00 0.00 C ATOM 833 C PRO A 54 -11.475 -2.743 0.521 1.00 0.00 C ATOM 834 O PRO A 54 -12.621 -2.824 0.913 1.00 0.00 O ATOM 835 CB PRO A 54 -9.510 -3.400 1.951 1.00 0.00 C ATOM 836 CG PRO A 54 -8.058 -3.471 1.411 1.00 0.00 C ATOM 837 CD PRO A 54 -8.129 -3.887 -0.064 1.00 0.00 C ATOM 0 HA PRO A 54 -11.015 -4.737 1.079 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -9.749 -2.387 2.274 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -9.627 -4.047 2.820 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -7.564 -2.504 1.512 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -7.472 -4.190 1.983 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -7.685 -3.130 -0.710 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -7.585 -4.815 -0.240 1.00 0.00 H new ATOM 845 N CYS A 55 -11.064 -1.714 -0.167 1.00 0.00 N ATOM 846 CA CYS A 55 -12.009 -0.603 -0.490 1.00 0.00 C ATOM 847 C CYS A 55 -12.770 -0.934 -1.778 1.00 0.00 C ATOM 848 O CYS A 55 -12.442 -1.868 -2.483 1.00 0.00 O ATOM 849 CB CYS A 55 -11.241 0.714 -0.692 1.00 0.00 C ATOM 850 SG CYS A 55 -9.654 0.675 0.187 1.00 0.00 S ATOM 0 H CYS A 55 -10.115 -1.592 -0.520 1.00 0.00 H new ATOM 0 HA CYS A 55 -12.707 -0.490 0.340 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -11.069 0.881 -1.755 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -11.841 1.549 -0.331 1.00 0.00 H new ATOM 855 N LEU A 56 -13.782 -0.170 -2.091 1.00 0.00 N ATOM 856 CA LEU A 56 -14.566 -0.426 -3.330 1.00 0.00 C ATOM 857 C LEU A 56 -15.068 0.895 -3.899 1.00 0.00 C ATOM 858 O LEU A 56 -14.746 1.960 -3.418 1.00 0.00 O ATOM 859 CB LEU A 56 -15.782 -1.292 -3.014 1.00 0.00 C ATOM 860 CG LEU A 56 -15.501 -2.780 -3.229 1.00 0.00 C ATOM 861 CD1 LEU A 56 -16.842 -3.496 -3.390 1.00 0.00 C ATOM 862 CD2 LEU A 56 -14.669 -2.995 -4.496 1.00 0.00 C ATOM 0 H LEU A 56 -14.100 0.625 -1.537 1.00 0.00 H new ATOM 0 HA LEU A 56 -13.921 -0.934 -4.047 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -16.085 -1.127 -1.980 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -16.617 -0.987 -3.644 1.00 0.00 H new ATOM 0 HG LEU A 56 -14.945 -3.171 -2.377 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -16.669 -4.561 -3.545 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -17.441 -3.353 -2.491 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -17.373 -3.086 -4.249 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -14.480 -4.060 -4.631 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -15.214 -2.611 -5.359 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -13.720 -2.467 -4.402 1.00 0.00 H new ATOM 874 N ASN A 57 -15.864 0.819 -4.925 1.00 0.00 N ATOM 875 CA ASN A 57 -16.403 2.049 -5.560 1.00 0.00 C ATOM 876 C ASN A 57 -15.311 3.102 -5.653 1.00 0.00 C ATOM 877 O ASN A 57 -15.405 4.169 -5.090 1.00 0.00 O ATOM 878 CB ASN A 57 -17.600 2.588 -4.765 1.00 0.00 C ATOM 879 CG ASN A 57 -18.859 1.803 -5.132 1.00 0.00 C ATOM 880 OD1 ASN A 57 -19.915 2.375 -5.305 1.00 0.00 O ATOM 881 ND2 ASN A 57 -18.792 0.512 -5.262 1.00 0.00 N ATOM 0 H ASN A 57 -16.168 -0.054 -5.356 1.00 0.00 H new ATOM 0 HA ASN A 57 -16.746 1.803 -6.565 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -17.406 2.504 -3.696 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -17.744 3.647 -4.980 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -19.627 -0.020 -5.509 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -17.905 0.030 -5.117 1.00 0.00 H new ATOM 888 N GLN A 58 -14.281 2.816 -6.395 1.00 0.00 N ATOM 889 CA GLN A 58 -13.200 3.819 -6.571 1.00 0.00 C ATOM 890 C GLN A 58 -12.841 4.418 -5.217 1.00 0.00 C ATOM 891 O GLN A 58 -12.535 5.588 -5.100 1.00 0.00 O ATOM 892 CB GLN A 58 -13.709 4.925 -7.500 1.00 0.00 C ATOM 893 CG GLN A 58 -14.808 4.368 -8.422 1.00 0.00 C ATOM 894 CD GLN A 58 -15.468 5.514 -9.190 1.00 0.00 C ATOM 895 OE1 GLN A 58 -16.556 5.937 -8.856 1.00 0.00 O ATOM 896 NE2 GLN A 58 -14.853 6.034 -10.216 1.00 0.00 N ATOM 0 H GLN A 58 -14.141 1.933 -6.886 1.00 0.00 H new ATOM 0 HA GLN A 58 -12.316 3.347 -7.000 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -14.101 5.755 -6.912 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -12.886 5.318 -8.097 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -14.380 3.649 -9.120 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -15.554 3.835 -7.833 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -13.939 5.679 -10.497 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -15.286 6.796 -10.738 1.00 0.00 H new ATOM 905 N GLY A 59 -12.883 3.622 -4.196 1.00 0.00 N ATOM 906 CA GLY A 59 -12.551 4.135 -2.838 1.00 0.00 C ATOM 907 C GLY A 59 -11.033 4.194 -2.668 1.00 0.00 C ATOM 908 O GLY A 59 -10.300 3.434 -3.271 1.00 0.00 O ATOM 0 H GLY A 59 -13.133 2.634 -4.238 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -12.981 5.127 -2.698 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -12.987 3.488 -2.077 1.00 0.00 H new ATOM 912 N HIS A 60 -10.554 5.089 -1.847 1.00 0.00 N ATOM 913 CA HIS A 60 -9.084 5.197 -1.635 1.00 0.00 C ATOM 914 C HIS A 60 -8.641 4.098 -0.668 1.00 0.00 C ATOM 915 O HIS A 60 -9.453 3.471 -0.017 1.00 0.00 O ATOM 916 CB HIS A 60 -8.756 6.568 -1.038 1.00 0.00 C ATOM 917 CG HIS A 60 -7.690 7.237 -1.861 1.00 0.00 C ATOM 918 ND1 HIS A 60 -7.391 8.585 -1.730 1.00 0.00 N ATOM 919 CD2 HIS A 60 -6.844 6.758 -2.830 1.00 0.00 C ATOM 920 CE1 HIS A 60 -6.403 8.867 -2.599 1.00 0.00 C ATOM 921 NE2 HIS A 60 -6.032 7.790 -3.295 1.00 0.00 N ATOM 0 H HIS A 60 -11.119 5.750 -1.314 1.00 0.00 H new ATOM 0 HA HIS A 60 -8.562 5.084 -2.585 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -9.652 7.188 -1.012 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -8.417 6.455 -0.008 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -6.813 5.736 -3.179 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -5.963 9.846 -2.719 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -5.309 7.735 -4.013 1.00 0.00 H new ATOM 929 N CYS A 61 -7.363 3.849 -0.571 1.00 0.00 N ATOM 930 CA CYS A 61 -6.888 2.779 0.351 1.00 0.00 C ATOM 931 C CYS A 61 -5.621 3.232 1.078 1.00 0.00 C ATOM 932 O CYS A 61 -4.649 3.623 0.463 1.00 0.00 O ATOM 933 CB CYS A 61 -6.562 1.518 -0.452 1.00 0.00 C ATOM 934 SG CYS A 61 -5.838 0.271 0.649 1.00 0.00 S ATOM 0 H CYS A 61 -6.631 4.337 -1.087 1.00 0.00 H new ATOM 0 HA CYS A 61 -7.674 2.572 1.078 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -7.466 1.126 -0.918 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -5.866 1.756 -1.257 1.00 0.00 H new ATOM 939 N LYS A 62 -5.604 3.139 2.379 1.00 0.00 N ATOM 940 CA LYS A 62 -4.382 3.516 3.132 1.00 0.00 C ATOM 941 C LYS A 62 -3.698 2.209 3.522 1.00 0.00 C ATOM 942 O LYS A 62 -4.132 1.150 3.115 1.00 0.00 O ATOM 943 CB LYS A 62 -4.757 4.327 4.377 1.00 0.00 C ATOM 944 CG LYS A 62 -5.397 5.651 3.953 1.00 0.00 C ATOM 945 CD LYS A 62 -4.309 6.618 3.486 1.00 0.00 C ATOM 946 CE LYS A 62 -3.999 7.617 4.602 1.00 0.00 C ATOM 947 NZ LYS A 62 -2.621 8.154 4.419 1.00 0.00 N ATOM 0 H LYS A 62 -6.385 2.818 2.951 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.718 4.138 2.532 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -5.449 3.759 4.998 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -3.870 4.517 4.981 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -6.115 5.480 3.151 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -5.949 6.084 4.787 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.408 6.066 3.217 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.638 7.147 2.591 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -4.723 8.431 4.587 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.085 7.131 5.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -2.410 8.833 5.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -1.936 7.372 4.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.554 8.632 3.498 1.00 0.00 H new ATOM 974 N GLY A 64 -0.438 -0.051 6.145 1.00 0.00 N ATOM 975 CA GLY A 64 0.463 -0.098 7.328 1.00 0.00 C ATOM 976 C GLY A 64 0.511 -1.545 7.818 1.00 0.00 C ATOM 977 O GLY A 64 -0.494 -2.221 7.857 1.00 0.00 O ATOM 0 HA2 GLY A 64 1.461 0.249 7.062 1.00 0.00 H new ATOM 0 HA3 GLY A 64 0.096 0.560 8.115 1.00 0.00 H new ATOM 981 N ILE A 65 1.658 -2.044 8.173 1.00 0.00 N ATOM 982 CA ILE A 65 1.717 -3.459 8.633 1.00 0.00 C ATOM 983 C ILE A 65 0.576 -3.713 9.632 1.00 0.00 C ATOM 984 O ILE A 65 -0.258 -4.570 9.432 1.00 0.00 O ATOM 985 CB ILE A 65 3.079 -3.738 9.295 1.00 0.00 C ATOM 986 CG1 ILE A 65 4.089 -4.291 8.270 1.00 0.00 C ATOM 987 CG2 ILE A 65 2.921 -4.749 10.436 1.00 0.00 C ATOM 988 CD1 ILE A 65 3.430 -5.334 7.358 1.00 0.00 C ATOM 0 H ILE A 65 2.547 -1.544 8.166 1.00 0.00 H new ATOM 0 HA ILE A 65 1.603 -4.128 7.780 1.00 0.00 H new ATOM 0 HB ILE A 65 3.454 -2.794 9.690 1.00 0.00 H new ATOM 0 HG12 ILE A 65 4.485 -3.474 7.667 1.00 0.00 H new ATOM 0 HG13 ILE A 65 4.934 -4.741 8.792 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.892 -4.936 10.894 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.238 -4.349 11.185 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.520 -5.683 10.042 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.164 -5.708 6.644 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.056 -6.161 7.962 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.601 -4.875 6.819 1.00 0.00 H new ATOM 1000 N GLY A 66 0.551 -2.984 10.715 1.00 0.00 N ATOM 1001 CA GLY A 66 -0.515 -3.192 11.739 1.00 0.00 C ATOM 1002 C GLY A 66 -1.885 -3.334 11.068 1.00 0.00 C ATOM 1003 O GLY A 66 -2.708 -4.124 11.486 1.00 0.00 O ATOM 0 H GLY A 66 1.225 -2.251 10.936 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.296 -4.085 12.324 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.529 -2.352 12.433 1.00 0.00 H new ATOM 1007 N ASP A 67 -2.137 -2.580 10.031 1.00 0.00 N ATOM 1008 CA ASP A 67 -3.466 -2.678 9.340 1.00 0.00 C ATOM 1009 C ASP A 67 -3.554 -1.659 8.192 1.00 0.00 C ATOM 1010 O ASP A 67 -2.576 -1.343 7.549 1.00 0.00 O ATOM 1011 CB ASP A 67 -4.598 -2.420 10.342 1.00 0.00 C ATOM 1012 CG ASP A 67 -4.735 -0.917 10.600 1.00 0.00 C ATOM 1013 OD1 ASP A 67 -3.791 -0.199 10.315 1.00 0.00 O ATOM 1014 OD2 ASP A 67 -5.783 -0.511 11.076 1.00 0.00 O ATOM 0 H ASP A 67 -1.487 -1.903 9.631 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.567 -3.682 8.929 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -5.536 -2.818 9.954 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -4.393 -2.941 11.277 1.00 0.00 H new ATOM 1019 N TYR A 68 -4.730 -1.149 7.923 1.00 0.00 N ATOM 1020 CA TYR A 68 -4.881 -0.164 6.811 1.00 0.00 C ATOM 1021 C TYR A 68 -6.130 0.692 7.044 1.00 0.00 C ATOM 1022 O TYR A 68 -6.741 0.645 8.093 1.00 0.00 O ATOM 1023 CB TYR A 68 -5.018 -0.915 5.486 1.00 0.00 C ATOM 1024 CG TYR A 68 -6.149 -1.914 5.594 1.00 0.00 C ATOM 1025 CD1 TYR A 68 -6.047 -2.982 6.495 1.00 0.00 C ATOM 1026 CD2 TYR A 68 -7.293 -1.781 4.796 1.00 0.00 C ATOM 1027 CE1 TYR A 68 -7.077 -3.914 6.600 1.00 0.00 C ATOM 1028 CE2 TYR A 68 -8.330 -2.718 4.902 1.00 0.00 C ATOM 1029 CZ TYR A 68 -8.221 -3.785 5.804 1.00 0.00 C ATOM 1030 OH TYR A 68 -9.241 -4.709 5.906 1.00 0.00 O ATOM 0 H TYR A 68 -5.590 -1.372 8.425 1.00 0.00 H new ATOM 0 HA TYR A 68 -4.004 0.482 6.778 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -5.213 -0.213 4.675 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -4.086 -1.427 5.247 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -5.166 -3.083 7.111 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -7.376 -0.959 4.101 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -6.993 -4.736 7.295 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -9.213 -2.618 4.288 1.00 0.00 H new ATOM 0 HH TYR A 68 -9.961 -4.472 5.285 1.00 0.00 H new ATOM 1040 N THR A 69 -6.509 1.480 6.072 1.00 0.00 N ATOM 1041 CA THR A 69 -7.708 2.345 6.226 1.00 0.00 C ATOM 1042 C THR A 69 -8.210 2.780 4.856 1.00 0.00 C ATOM 1043 O THR A 69 -7.566 3.539 4.168 1.00 0.00 O ATOM 1044 CB THR A 69 -7.334 3.580 6.997 1.00 0.00 C ATOM 1045 OG1 THR A 69 -5.921 3.738 7.000 1.00 0.00 O ATOM 1046 CG2 THR A 69 -7.848 3.466 8.421 1.00 0.00 C ATOM 0 H THR A 69 -6.034 1.559 5.173 1.00 0.00 H new ATOM 0 HA THR A 69 -8.482 1.784 6.749 1.00 0.00 H new ATOM 0 HB THR A 69 -7.785 4.452 6.523 1.00 0.00 H new ATOM 0 HG1 THR A 69 -5.683 4.545 7.502 1.00 0.00 H new ATOM 0 HG21 THR A 69 -7.576 4.362 8.979 1.00 0.00 H new ATOM 0 HG22 THR A 69 -8.933 3.361 8.409 1.00 0.00 H new ATOM 0 HG23 THR A 69 -7.405 2.593 8.899 1.00 0.00 H new ATOM 1054 N CYS A 70 -9.359 2.332 4.459 1.00 0.00 N ATOM 1055 CA CYS A 70 -9.885 2.723 3.143 1.00 0.00 C ATOM 1056 C CYS A 70 -10.514 4.107 3.221 1.00 0.00 C ATOM 1057 O CYS A 70 -10.410 4.813 4.205 1.00 0.00 O ATOM 1058 CB CYS A 70 -10.944 1.711 2.702 1.00 0.00 C ATOM 1059 SG CYS A 70 -10.134 0.215 2.092 1.00 0.00 S ATOM 0 H CYS A 70 -9.958 1.707 4.998 1.00 0.00 H new ATOM 0 HA CYS A 70 -9.067 2.743 2.423 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -11.599 1.467 3.538 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -11.571 2.142 1.921 1.00 0.00 H new ATOM 1064 N THR A 71 -11.165 4.477 2.173 1.00 0.00 N ATOM 1065 CA THR A 71 -11.836 5.808 2.106 1.00 0.00 C ATOM 1066 C THR A 71 -12.891 5.772 1.001 1.00 0.00 C ATOM 1067 O THR A 71 -12.915 4.871 0.187 1.00 0.00 O ATOM 1068 CB THR A 71 -10.800 6.885 1.776 1.00 0.00 C ATOM 1069 OG1 THR A 71 -9.520 6.467 2.228 1.00 0.00 O ATOM 1070 CG2 THR A 71 -11.185 8.192 2.459 1.00 0.00 C ATOM 0 H THR A 71 -11.269 3.907 1.334 1.00 0.00 H new ATOM 0 HA THR A 71 -12.304 6.035 3.064 1.00 0.00 H new ATOM 0 HB THR A 71 -10.769 7.039 0.697 1.00 0.00 H new ATOM 0 HG1 THR A 71 -8.857 7.156 2.015 1.00 0.00 H new ATOM 0 HG21 THR A 71 -10.446 8.957 2.223 1.00 0.00 H new ATOM 0 HG22 THR A 71 -12.165 8.512 2.105 1.00 0.00 H new ATOM 0 HG23 THR A 71 -11.220 8.042 3.538 1.00 0.00 H new ATOM 1078 N CYS A 72 -13.759 6.743 0.954 1.00 0.00 N ATOM 1079 CA CYS A 72 -14.797 6.749 -0.113 1.00 0.00 C ATOM 1080 C CYS A 72 -14.796 8.117 -0.814 1.00 0.00 C ATOM 1081 O CYS A 72 -14.908 9.146 -0.177 1.00 0.00 O ATOM 1082 CB CYS A 72 -16.170 6.480 0.511 1.00 0.00 C ATOM 1083 SG CYS A 72 -16.240 4.773 1.119 1.00 0.00 S ATOM 0 H CYS A 72 -13.795 7.528 1.604 1.00 0.00 H new ATOM 0 HA CYS A 72 -14.580 5.971 -0.845 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -16.351 7.176 1.330 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -16.955 6.646 -0.227 1.00 0.00 H new ATOM 1088 N ALA A 73 -14.659 8.141 -2.118 1.00 0.00 N ATOM 1089 CA ALA A 73 -14.638 9.442 -2.849 1.00 0.00 C ATOM 1090 C ALA A 73 -15.835 10.300 -2.450 1.00 0.00 C ATOM 1091 O ALA A 73 -16.671 9.899 -1.664 1.00 0.00 O ATOM 1092 CB ALA A 73 -14.726 9.183 -4.348 1.00 0.00 C ATOM 0 H ALA A 73 -14.561 7.313 -2.706 1.00 0.00 H new ATOM 0 HA ALA A 73 -13.713 9.960 -2.598 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -14.711 10.133 -4.883 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.877 8.576 -4.663 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -15.653 8.655 -4.572 1.00 0.00 H new ATOM 1098 N GLU A 74 -15.938 11.473 -3.019 1.00 0.00 N ATOM 1099 CA GLU A 74 -17.068 12.350 -2.730 1.00 0.00 C ATOM 1100 C GLU A 74 -18.237 11.887 -3.570 1.00 0.00 C ATOM 1101 O GLU A 74 -18.330 12.113 -4.760 1.00 0.00 O ATOM 1102 CB GLU A 74 -16.693 13.769 -3.073 1.00 0.00 C ATOM 1103 CG GLU A 74 -17.946 14.607 -3.061 1.00 0.00 C ATOM 1104 CD GLU A 74 -17.607 16.047 -2.670 1.00 0.00 C ATOM 1105 OE1 GLU A 74 -16.633 16.567 -3.189 1.00 0.00 O ATOM 1106 OE2 GLU A 74 -18.326 16.605 -1.857 1.00 0.00 O ATOM 0 H GLU A 74 -15.263 11.851 -3.683 1.00 0.00 H new ATOM 0 HA GLU A 74 -17.337 12.313 -1.674 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -15.971 14.155 -2.353 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -16.219 13.810 -4.053 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -18.415 14.589 -4.045 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -18.666 14.190 -2.357 1.00 0.00 H new ATOM 1113 N GLY A 75 -19.096 11.216 -2.922 1.00 0.00 N ATOM 1114 CA GLY A 75 -20.304 10.643 -3.577 1.00 0.00 C ATOM 1115 C GLY A 75 -20.264 9.130 -3.438 1.00 0.00 C ATOM 1116 O GLY A 75 -20.840 8.401 -4.222 1.00 0.00 O ATOM 0 H GLY A 75 -19.028 11.021 -1.923 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -21.208 11.041 -3.116 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -20.332 10.925 -4.630 1.00 0.00 H new ATOM 1120 N PHE A 76 -19.553 8.656 -2.466 1.00 0.00 N ATOM 1121 CA PHE A 76 -19.425 7.200 -2.281 1.00 0.00 C ATOM 1122 C PHE A 76 -19.987 6.808 -0.908 1.00 0.00 C ATOM 1123 O PHE A 76 -20.114 7.635 -0.027 1.00 0.00 O ATOM 1124 CB PHE A 76 -17.947 6.875 -2.390 1.00 0.00 C ATOM 1125 CG PHE A 76 -17.550 7.073 -3.830 1.00 0.00 C ATOM 1126 CD1 PHE A 76 -17.643 8.343 -4.421 1.00 0.00 C ATOM 1127 CD2 PHE A 76 -17.119 5.986 -4.578 1.00 0.00 C ATOM 1128 CE1 PHE A 76 -17.300 8.512 -5.767 1.00 0.00 C ATOM 1129 CE2 PHE A 76 -16.771 6.154 -5.926 1.00 0.00 C ATOM 1130 CZ PHE A 76 -16.863 7.419 -6.519 1.00 0.00 C ATOM 0 H PHE A 76 -19.050 9.224 -1.785 1.00 0.00 H new ATOM 0 HA PHE A 76 -19.985 6.642 -3.031 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -17.362 7.523 -1.737 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -17.755 5.849 -2.076 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -17.979 9.188 -3.838 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -17.052 5.010 -4.121 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -17.373 9.488 -6.224 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -16.432 5.308 -6.506 1.00 0.00 H new ATOM 0 HZ PHE A 76 -16.596 7.550 -7.557 1.00 0.00 H new ATOM 1140 N GLU A 77 -20.342 5.564 -0.717 1.00 0.00 N ATOM 1141 CA GLU A 77 -20.914 5.158 0.608 1.00 0.00 C ATOM 1142 C GLU A 77 -20.714 3.660 0.844 1.00 0.00 C ATOM 1143 O GLU A 77 -20.408 2.915 -0.059 1.00 0.00 O ATOM 1144 CB GLU A 77 -22.414 5.466 0.631 1.00 0.00 C ATOM 1145 CG GLU A 77 -22.730 6.386 1.812 1.00 0.00 C ATOM 1146 CD GLU A 77 -23.911 5.817 2.600 1.00 0.00 C ATOM 1147 OE1 GLU A 77 -23.684 4.944 3.421 1.00 0.00 O ATOM 1148 OE2 GLU A 77 -25.022 6.264 2.368 1.00 0.00 O ATOM 0 H GLU A 77 -20.264 4.818 -1.409 1.00 0.00 H new ATOM 0 HA GLU A 77 -20.401 5.715 1.392 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -22.712 5.941 -0.303 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -22.984 4.541 0.715 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -21.858 6.477 2.459 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -22.967 7.388 1.453 1.00 0.00 H new ATOM 1155 N GLY A 78 -20.897 3.214 2.059 1.00 0.00 N ATOM 1156 CA GLY A 78 -20.723 1.762 2.360 1.00 0.00 C ATOM 1157 C GLY A 78 -19.369 1.539 3.031 1.00 0.00 C ATOM 1158 O GLY A 78 -18.513 2.400 3.017 1.00 0.00 O ATOM 0 H GLY A 78 -21.160 3.793 2.857 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -21.525 1.416 3.012 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -20.786 1.179 1.441 1.00 0.00 H new ATOM 1162 N LYS A 79 -19.164 0.392 3.623 1.00 0.00 N ATOM 1163 CA LYS A 79 -17.875 0.121 4.288 1.00 0.00 C ATOM 1164 C LYS A 79 -16.747 0.261 3.279 1.00 0.00 C ATOM 1165 O LYS A 79 -15.688 0.780 3.568 1.00 0.00 O ATOM 1166 CB LYS A 79 -17.900 -1.294 4.841 1.00 0.00 C ATOM 1167 CG LYS A 79 -16.885 -1.391 5.960 1.00 0.00 C ATOM 1168 CD LYS A 79 -17.608 -1.383 7.306 1.00 0.00 C ATOM 1169 CE LYS A 79 -16.610 -1.070 8.422 1.00 0.00 C ATOM 1170 NZ LYS A 79 -17.323 -0.402 9.548 1.00 0.00 N ATOM 0 H LYS A 79 -19.844 -0.367 3.670 1.00 0.00 H new ATOM 0 HA LYS A 79 -17.715 0.830 5.100 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -18.896 -1.539 5.211 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -17.667 -2.012 4.055 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -16.299 -2.304 5.855 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -16.187 -0.556 5.905 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -18.405 -0.639 7.298 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -18.077 -2.351 7.484 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -16.136 -1.988 8.770 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -15.816 -0.425 8.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -16.647 -0.188 10.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -17.755 0.482 9.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -18.065 -1.033 9.912 1.00 0.00 H new ATOM 1184 N ASN A 80 -16.981 -0.198 2.095 1.00 0.00 N ATOM 1185 CA ASN A 80 -15.951 -0.103 1.033 1.00 0.00 C ATOM 1186 C ASN A 80 -16.450 0.848 -0.052 1.00 0.00 C ATOM 1187 O ASN A 80 -16.045 0.774 -1.191 1.00 0.00 O ATOM 1188 CB ASN A 80 -15.711 -1.487 0.429 1.00 0.00 C ATOM 1189 CG ASN A 80 -15.398 -2.488 1.544 1.00 0.00 C ATOM 1190 OD1 ASN A 80 -15.447 -2.152 2.710 1.00 0.00 O ATOM 1191 ND2 ASN A 80 -15.075 -3.713 1.230 1.00 0.00 N ATOM 0 H ASN A 80 -17.854 -0.642 1.809 1.00 0.00 H new ATOM 0 HA ASN A 80 -15.017 0.271 1.453 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -16.592 -1.810 -0.126 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -14.884 -1.447 -0.280 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -14.864 -4.389 1.964 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -15.034 -3.995 0.250 1.00 0.00 H new ATOM 1198 N CYS A 81 -17.334 1.743 0.289 1.00 0.00 N ATOM 1199 CA CYS A 81 -17.851 2.688 -0.735 1.00 0.00 C ATOM 1200 C CYS A 81 -18.761 1.931 -1.710 1.00 0.00 C ATOM 1201 O CYS A 81 -19.216 2.472 -2.696 1.00 0.00 O ATOM 1202 CB CYS A 81 -16.668 3.286 -1.493 1.00 0.00 C ATOM 1203 SG CYS A 81 -15.341 3.676 -0.324 1.00 0.00 S ATOM 0 H CYS A 81 -17.718 1.860 1.227 1.00 0.00 H new ATOM 0 HA CYS A 81 -18.422 3.484 -0.257 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -16.310 2.583 -2.245 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -16.979 4.187 -2.022 1.00 0.00 H new ATOM 1208 N GLU A 82 -19.024 0.681 -1.426 1.00 0.00 N ATOM 1209 CA GLU A 82 -19.895 -0.152 -2.302 1.00 0.00 C ATOM 1210 C GLU A 82 -20.997 0.685 -2.961 1.00 0.00 C ATOM 1211 O GLU A 82 -21.256 0.571 -4.143 1.00 0.00 O ATOM 1212 CB GLU A 82 -20.543 -1.235 -1.443 1.00 0.00 C ATOM 1213 CG GLU A 82 -21.006 -2.372 -2.339 1.00 0.00 C ATOM 1214 CD GLU A 82 -21.147 -3.652 -1.514 1.00 0.00 C ATOM 1215 OE1 GLU A 82 -22.169 -3.807 -0.866 1.00 0.00 O ATOM 1216 OE2 GLU A 82 -20.229 -4.456 -1.543 1.00 0.00 O ATOM 0 H GLU A 82 -18.663 0.195 -0.605 1.00 0.00 H new ATOM 0 HA GLU A 82 -19.282 -0.586 -3.092 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -19.832 -1.604 -0.704 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -21.388 -0.822 -0.893 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -21.960 -2.119 -2.801 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -20.291 -2.525 -3.147 1.00 0.00 H new ATOM 1223 N PHE A 83 -21.659 1.499 -2.198 1.00 0.00 N ATOM 1224 CA PHE A 83 -22.770 2.325 -2.757 1.00 0.00 C ATOM 1225 C PHE A 83 -22.235 3.642 -3.304 1.00 0.00 C ATOM 1226 O PHE A 83 -22.179 4.641 -2.615 1.00 0.00 O ATOM 1227 CB PHE A 83 -23.799 2.633 -1.669 1.00 0.00 C ATOM 1228 CG PHE A 83 -23.815 1.531 -0.657 1.00 0.00 C ATOM 1229 CD1 PHE A 83 -23.687 0.206 -1.073 1.00 0.00 C ATOM 1230 CD2 PHE A 83 -23.973 1.835 0.694 1.00 0.00 C ATOM 1231 CE1 PHE A 83 -23.714 -0.823 -0.131 1.00 0.00 C ATOM 1232 CE2 PHE A 83 -23.999 0.811 1.638 1.00 0.00 C ATOM 1233 CZ PHE A 83 -23.871 -0.522 1.228 1.00 0.00 C ATOM 0 H PHE A 83 -21.481 1.633 -1.203 1.00 0.00 H new ATOM 0 HA PHE A 83 -23.237 1.757 -3.562 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -23.557 3.579 -1.185 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -24.788 2.745 -2.113 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -23.567 -0.023 -2.122 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -24.075 2.863 1.009 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -23.614 -1.850 -0.449 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -24.118 1.045 2.686 1.00 0.00 H new ATOM 0 HZ PHE A 83 -23.893 -1.317 1.959 1.00 0.00 H new ATOM 1243 N SER A 84 -21.868 3.655 -4.546 1.00 0.00 N ATOM 1244 CA SER A 84 -21.364 4.916 -5.159 1.00 0.00 C ATOM 1245 C SER A 84 -22.543 5.883 -5.311 1.00 0.00 C ATOM 1246 O SER A 84 -23.261 5.851 -6.291 1.00 0.00 O ATOM 1247 CB SER A 84 -20.767 4.615 -6.533 1.00 0.00 C ATOM 1248 OG SER A 84 -21.595 3.678 -7.210 1.00 0.00 O ATOM 0 H SER A 84 -21.893 2.848 -5.170 1.00 0.00 H new ATOM 0 HA SER A 84 -20.593 5.359 -4.528 1.00 0.00 H new ATOM 0 HB2 SER A 84 -20.685 5.533 -7.116 1.00 0.00 H new ATOM 0 HB3 SER A 84 -19.759 4.215 -6.425 1.00 0.00 H new ATOM 0 HG SER A 84 -22.520 4.001 -7.213 1.00 0.00 H new ATOM 1254 N THR A 85 -22.761 6.727 -4.339 1.00 0.00 N ATOM 1255 CA THR A 85 -23.910 7.678 -4.414 1.00 0.00 C ATOM 1256 C THR A 85 -24.012 8.271 -5.811 1.00 0.00 C ATOM 1257 O THR A 85 -25.076 8.633 -6.275 1.00 0.00 O ATOM 1258 CB THR A 85 -23.721 8.792 -3.389 1.00 0.00 C ATOM 1259 OG1 THR A 85 -22.728 9.699 -3.843 1.00 0.00 O ATOM 1260 CG2 THR A 85 -23.290 8.165 -2.070 1.00 0.00 C ATOM 0 H THR A 85 -22.193 6.800 -3.495 1.00 0.00 H new ATOM 0 HA THR A 85 -24.832 7.139 -4.195 1.00 0.00 H new ATOM 0 HB THR A 85 -24.654 9.339 -3.253 1.00 0.00 H new ATOM 0 HG1 THR A 85 -22.132 9.243 -4.473 1.00 0.00 H new ATOM 0 HG21 THR A 85 -23.150 8.947 -1.324 1.00 0.00 H new ATOM 0 HG22 THR A 85 -24.058 7.471 -1.729 1.00 0.00 H new ATOM 0 HG23 THR A 85 -22.353 7.627 -2.212 1.00 0.00 H new ATOM 1268 N ARG A 86 -22.912 8.373 -6.476 1.00 0.00 N ATOM 1269 CA ARG A 86 -22.912 8.941 -7.848 1.00 0.00 C ATOM 1270 C ARG A 86 -21.620 8.544 -8.566 1.00 0.00 C ATOM 1271 O ARG A 86 -20.712 8.079 -7.897 1.00 0.00 O ATOM 1272 CB ARG A 86 -23.001 10.462 -7.761 1.00 0.00 C ATOM 1273 CG ARG A 86 -21.816 11.004 -6.957 1.00 0.00 C ATOM 1274 CD ARG A 86 -22.237 12.248 -6.164 1.00 0.00 C ATOM 1275 NE ARG A 86 -23.449 12.889 -6.800 1.00 0.00 N ATOM 1276 CZ ARG A 86 -23.467 13.197 -8.072 1.00 0.00 C ATOM 1277 NH1 ARG A 86 -22.381 13.112 -8.793 1.00 0.00 N ATOM 1278 NH2 ARG A 86 -24.568 13.639 -8.613 1.00 0.00 N ATOM 1279 OXT ARG A 86 -21.561 8.712 -9.773 1.00 0.00 O ATOM 0 H ARG A 86 -21.997 8.085 -6.129 1.00 0.00 H new ATOM 0 HA ARG A 86 -23.766 8.555 -8.404 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -23.001 10.894 -8.762 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -23.938 10.754 -7.287 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -21.448 10.237 -6.276 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -20.995 11.253 -7.629 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -22.461 11.972 -5.134 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -21.414 12.962 -6.131 1.00 0.00 H new ATOM 0 HE ARG A 86 -24.269 13.085 -6.227 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -21.508 12.803 -8.366 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -22.406 13.354 -9.783 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -25.409 13.743 -8.045 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -24.588 13.881 -9.604 1.00 0.00 H new