USER MOD reduce.3.24.130724 H: found=0, std=0, add=532, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 531 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0.515 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= -0.309 K(o=-0.31,f=-1.2) USER MOD Single : A 47 LYS NZ :NH3+ 160:sc= -0.0907 (180deg=-0.67) USER MOD Single : A 51 TYR OH : rot 180:sc= -0.0547 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -159:sc= -0.075 (180deg=-0.626) USER MOD Single : A 57 GLN : amide:sc= -0.18 K(o=-0.18,f=-0.81) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 ASN :FLIP amide:sc= -0.0224 F(o=-1.4!,f=-0.022) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.443 K(o=-0.44,f=-1.5) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 HIS : no HD1:sc= -0.046 X(o=-0.046,f=-0.38) USER MOD Single : A 81 LYS NZ :NH3+ -134:sc= -0.703 (180deg=-0.963) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00797) USER MOD Single : A 94 LYS NZ :NH3+ -127:sc= -1.09 (180deg=-4.65!) USER MOD Single : A 95 THR OG1 : rot -10:sc= -0.284 USER MOD ----------------------------------------------------------------- ATOM 402 N ASP A 30 8.725 -12.229 -6.332 1.00 0.00 N ATOM 403 CA ASP A 30 8.638 -10.768 -6.071 1.00 0.00 C ATOM 404 C ASP A 30 7.238 -10.414 -5.579 1.00 0.00 C ATOM 405 O ASP A 30 6.446 -9.819 -6.288 1.00 0.00 O ATOM 406 CB ASP A 30 8.947 -10.009 -7.366 1.00 0.00 C ATOM 407 CG ASP A 30 8.112 -10.572 -8.522 1.00 0.00 C ATOM 408 OD1 ASP A 30 8.109 -11.781 -8.693 1.00 0.00 O ATOM 409 OD2 ASP A 30 7.496 -9.784 -9.220 1.00 0.00 O ATOM 0 HA ASP A 30 9.360 -10.487 -5.304 1.00 0.00 H new ATOM 0 HB2 ASP A 30 8.731 -8.949 -7.235 1.00 0.00 H new ATOM 0 HB3 ASP A 30 10.008 -10.092 -7.600 1.00 0.00 H new ATOM 414 N VAL A 31 6.934 -10.780 -4.360 1.00 0.00 N ATOM 415 CA VAL A 31 5.588 -10.479 -3.779 1.00 0.00 C ATOM 416 C VAL A 31 5.760 -9.716 -2.466 1.00 0.00 C ATOM 417 O VAL A 31 6.584 -10.056 -1.638 1.00 0.00 O ATOM 418 CB VAL A 31 4.839 -11.788 -3.521 1.00 0.00 C ATOM 419 CG1 VAL A 31 3.569 -11.504 -2.709 1.00 0.00 C ATOM 420 CG2 VAL A 31 4.455 -12.414 -4.863 1.00 0.00 C ATOM 0 H VAL A 31 7.567 -11.280 -3.735 1.00 0.00 H new ATOM 0 HA VAL A 31 5.016 -9.869 -4.479 1.00 0.00 H new ATOM 0 HB VAL A 31 5.477 -12.472 -2.962 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.037 -12.438 -2.527 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.840 -11.049 -1.756 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.926 -10.823 -3.266 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.920 -13.348 -4.689 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.814 -11.726 -5.415 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.356 -12.614 -5.442 1.00 0.00 H new ATOM 430 N ALA A 32 4.983 -8.683 -2.284 1.00 0.00 N ATOM 431 CA ALA A 32 5.070 -7.866 -1.036 1.00 0.00 C ATOM 432 C ALA A 32 3.669 -7.675 -0.453 1.00 0.00 C ATOM 433 O ALA A 32 2.700 -7.491 -1.168 1.00 0.00 O ATOM 434 CB ALA A 32 5.675 -6.501 -1.365 1.00 0.00 C ATOM 0 H ALA A 32 4.283 -8.365 -2.954 1.00 0.00 H new ATOM 0 HA ALA A 32 5.699 -8.378 -0.308 1.00 0.00 H new ATOM 0 HB1 ALA A 32 5.740 -5.903 -0.456 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.673 -6.636 -1.782 1.00 0.00 H new ATOM 0 HB3 ALA A 32 5.044 -5.989 -2.092 1.00 0.00 H new ATOM 440 N GLU A 33 3.567 -7.730 0.845 1.00 0.00 N ATOM 441 CA GLU A 33 2.245 -7.568 1.519 1.00 0.00 C ATOM 442 C GLU A 33 2.059 -6.121 1.965 1.00 0.00 C ATOM 443 O GLU A 33 2.978 -5.478 2.437 1.00 0.00 O ATOM 444 CB GLU A 33 2.187 -8.488 2.745 1.00 0.00 C ATOM 445 CG GLU A 33 3.314 -8.129 3.725 1.00 0.00 C ATOM 446 CD GLU A 33 3.312 -9.120 4.893 1.00 0.00 C ATOM 447 OE1 GLU A 33 2.388 -9.915 4.970 1.00 0.00 O ATOM 448 OE2 GLU A 33 4.238 -9.074 5.686 1.00 0.00 O ATOM 0 H GLU A 33 4.353 -7.882 1.477 1.00 0.00 H new ATOM 0 HA GLU A 33 1.452 -7.831 0.819 1.00 0.00 H new ATOM 0 HB2 GLU A 33 1.220 -8.390 3.238 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.282 -9.528 2.434 1.00 0.00 H new ATOM 0 HG2 GLU A 33 4.276 -8.155 3.214 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.178 -7.113 4.096 1.00 0.00 H new ATOM 455 N VAL A 34 0.866 -5.611 1.817 1.00 0.00 N ATOM 456 CA VAL A 34 0.575 -4.203 2.224 1.00 0.00 C ATOM 457 C VAL A 34 -0.634 -4.187 3.160 1.00 0.00 C ATOM 458 O VAL A 34 -1.650 -4.805 2.898 1.00 0.00 O ATOM 459 CB VAL A 34 0.271 -3.363 0.981 1.00 0.00 C ATOM 460 CG1 VAL A 34 -0.274 -1.996 1.405 1.00 0.00 C ATOM 461 CG2 VAL A 34 1.559 -3.170 0.180 1.00 0.00 C ATOM 0 H VAL A 34 0.070 -6.115 1.427 1.00 0.00 H new ATOM 0 HA VAL A 34 1.441 -3.786 2.739 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.472 -3.873 0.368 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.490 -1.399 0.519 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.188 -2.132 1.982 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.468 -1.482 2.016 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.350 -2.572 -0.707 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.298 -2.658 0.797 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.949 -4.142 -0.121 1.00 0.00 H new ATOM 471 N SER A 35 -0.524 -3.482 4.250 1.00 0.00 N ATOM 472 CA SER A 35 -1.655 -3.410 5.222 1.00 0.00 C ATOM 473 C SER A 35 -1.776 -1.988 5.768 1.00 0.00 C ATOM 474 O SER A 35 -0.817 -1.404 6.242 1.00 0.00 O ATOM 475 CB SER A 35 -1.397 -4.375 6.374 1.00 0.00 C ATOM 476 OG SER A 35 -2.495 -4.327 7.274 1.00 0.00 O ATOM 0 H SER A 35 0.305 -2.949 4.513 1.00 0.00 H new ATOM 0 HA SER A 35 -2.582 -3.683 4.717 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.266 -5.388 5.994 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.475 -4.107 6.890 1.00 0.00 H new ATOM 0 HG SER A 35 -2.337 -4.947 8.017 1.00 0.00 H new ATOM 482 N LEU A 36 -2.958 -1.438 5.700 1.00 0.00 N ATOM 483 CA LEU A 36 -3.197 -0.047 6.205 1.00 0.00 C ATOM 484 C LEU A 36 -4.076 -0.103 7.447 1.00 0.00 C ATOM 485 O LEU A 36 -4.843 -1.027 7.642 1.00 0.00 O ATOM 486 CB LEU A 36 -3.908 0.779 5.123 1.00 0.00 C ATOM 487 CG LEU A 36 -2.880 1.307 4.116 1.00 0.00 C ATOM 488 CD1 LEU A 36 -2.239 0.142 3.347 1.00 0.00 C ATOM 489 CD2 LEU A 36 -3.570 2.258 3.137 1.00 0.00 C ATOM 0 H LEU A 36 -3.782 -1.897 5.311 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.241 0.416 6.450 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.650 0.165 4.612 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.444 1.611 5.580 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.097 1.842 4.654 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.511 0.532 2.636 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.739 -0.526 4.049 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.012 -0.409 2.810 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.840 2.635 2.420 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.358 1.725 2.606 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.004 3.094 3.686 1.00 0.00 H new ATOM 501 N PHE A 37 -3.958 0.887 8.286 1.00 0.00 N ATOM 502 CA PHE A 37 -4.766 0.936 9.540 1.00 0.00 C ATOM 503 C PHE A 37 -5.544 2.251 9.595 1.00 0.00 C ATOM 504 O PHE A 37 -5.001 3.323 9.400 1.00 0.00 O ATOM 505 CB PHE A 37 -3.830 0.844 10.745 1.00 0.00 C ATOM 506 CG PHE A 37 -4.638 0.980 12.010 1.00 0.00 C ATOM 507 CD1 PHE A 37 -5.381 -0.110 12.481 1.00 0.00 C ATOM 508 CD2 PHE A 37 -4.649 2.191 12.709 1.00 0.00 C ATOM 509 CE1 PHE A 37 -6.135 0.013 13.653 1.00 0.00 C ATOM 510 CE2 PHE A 37 -5.404 2.314 13.882 1.00 0.00 C ATOM 511 CZ PHE A 37 -6.146 1.224 14.355 1.00 0.00 C ATOM 0 H PHE A 37 -3.327 1.677 8.155 1.00 0.00 H new ATOM 0 HA PHE A 37 -5.467 0.102 9.557 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -3.301 -0.109 10.738 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -3.075 1.629 10.695 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -5.372 -1.045 11.940 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -4.076 3.031 12.345 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -6.709 -0.827 14.016 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -5.414 3.249 14.422 1.00 0.00 H new ATOM 0 HZ PHE A 37 -6.726 1.318 15.261 1.00 0.00 H new ATOM 521 N GLY A 38 -6.820 2.165 9.854 1.00 0.00 N ATOM 522 CA GLY A 38 -7.661 3.394 9.921 1.00 0.00 C ATOM 523 C GLY A 38 -9.006 3.080 10.595 1.00 0.00 C ATOM 524 O GLY A 38 -9.209 2.010 11.142 1.00 0.00 O ATOM 0 H GLY A 38 -7.319 1.292 10.023 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -7.139 4.171 10.479 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -7.831 3.783 8.917 1.00 0.00 H new ATOM 528 N SER A 39 -9.912 4.024 10.564 1.00 0.00 N ATOM 529 CA SER A 39 -11.252 3.831 11.203 1.00 0.00 C ATOM 530 C SER A 39 -12.220 3.140 10.236 1.00 0.00 C ATOM 531 O SER A 39 -12.328 1.927 10.205 1.00 0.00 O ATOM 532 CB SER A 39 -11.832 5.199 11.589 1.00 0.00 C ATOM 533 OG SER A 39 -11.731 6.100 10.484 1.00 0.00 O ATOM 0 H SER A 39 -9.780 4.932 10.118 1.00 0.00 H new ATOM 0 HA SER A 39 -11.127 3.207 12.088 1.00 0.00 H new ATOM 0 HB2 SER A 39 -12.875 5.091 11.887 1.00 0.00 H new ATOM 0 HB3 SER A 39 -11.295 5.602 12.448 1.00 0.00 H new ATOM 0 HG SER A 39 -12.104 6.970 10.736 1.00 0.00 H new ATOM 539 N ASP A 40 -12.937 3.912 9.461 1.00 0.00 N ATOM 540 CA ASP A 40 -13.922 3.321 8.506 1.00 0.00 C ATOM 541 C ASP A 40 -13.230 2.920 7.201 1.00 0.00 C ATOM 542 O ASP A 40 -12.090 3.262 6.949 1.00 0.00 O ATOM 543 CB ASP A 40 -15.028 4.342 8.217 1.00 0.00 C ATOM 544 CG ASP A 40 -14.429 5.599 7.578 1.00 0.00 C ATOM 545 OD1 ASP A 40 -13.216 5.678 7.491 1.00 0.00 O ATOM 546 OD2 ASP A 40 -15.198 6.460 7.181 1.00 0.00 O ATOM 0 H ASP A 40 -12.883 4.930 9.448 1.00 0.00 H new ATOM 0 HA ASP A 40 -14.357 2.428 8.955 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -15.772 3.905 7.551 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -15.542 4.604 9.141 1.00 0.00 H new ATOM 551 N LYS A 41 -13.927 2.188 6.378 1.00 0.00 N ATOM 552 CA LYS A 41 -13.348 1.728 5.077 1.00 0.00 C ATOM 553 C LYS A 41 -13.071 2.924 4.157 1.00 0.00 C ATOM 554 O LYS A 41 -12.092 2.953 3.435 1.00 0.00 O ATOM 555 CB LYS A 41 -14.348 0.790 4.394 1.00 0.00 C ATOM 556 CG LYS A 41 -13.724 0.213 3.122 1.00 0.00 C ATOM 557 CD LYS A 41 -14.690 -0.786 2.479 1.00 0.00 C ATOM 558 CE LYS A 41 -14.050 -1.378 1.219 1.00 0.00 C ATOM 559 NZ LYS A 41 -14.973 -2.379 0.611 1.00 0.00 N ATOM 0 H LYS A 41 -14.885 1.883 6.550 1.00 0.00 H new ATOM 0 HA LYS A 41 -12.409 1.209 5.270 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -14.627 -0.016 5.072 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -15.262 1.332 4.150 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -13.496 1.016 2.421 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -12.781 -0.280 3.359 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -14.931 -1.581 3.185 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -15.627 -0.290 2.225 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -13.834 -0.586 0.502 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -13.100 -1.850 1.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -14.537 -2.779 -0.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -15.158 -3.141 1.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -15.869 -1.916 0.358 1.00 0.00 H new ATOM 573 N ALA A 42 -13.937 3.901 4.167 1.00 0.00 N ATOM 574 CA ALA A 42 -13.749 5.093 3.280 1.00 0.00 C ATOM 575 C ALA A 42 -12.372 5.727 3.520 1.00 0.00 C ATOM 576 O ALA A 42 -11.689 6.129 2.595 1.00 0.00 O ATOM 577 CB ALA A 42 -14.836 6.124 3.596 1.00 0.00 C ATOM 0 H ALA A 42 -14.771 3.928 4.753 1.00 0.00 H new ATOM 0 HA ALA A 42 -13.816 4.776 2.239 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -14.708 6.996 2.955 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -15.817 5.684 3.418 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -14.758 6.427 4.640 1.00 0.00 H new ATOM 583 N HIS A 43 -11.969 5.824 4.756 1.00 0.00 N ATOM 584 CA HIS A 43 -10.644 6.438 5.081 1.00 0.00 C ATOM 585 C HIS A 43 -9.506 5.559 4.547 1.00 0.00 C ATOM 586 O HIS A 43 -8.527 6.042 4.010 1.00 0.00 O ATOM 587 CB HIS A 43 -10.512 6.565 6.598 1.00 0.00 C ATOM 588 CG HIS A 43 -9.198 7.208 6.939 1.00 0.00 C ATOM 589 ND1 HIS A 43 -8.017 6.485 7.015 1.00 0.00 N ATOM 590 CD2 HIS A 43 -8.861 8.506 7.231 1.00 0.00 C ATOM 591 CE1 HIS A 43 -7.035 7.345 7.340 1.00 0.00 C ATOM 592 NE2 HIS A 43 -7.495 8.591 7.483 1.00 0.00 N ATOM 0 H HIS A 43 -12.503 5.503 5.564 1.00 0.00 H new ATOM 0 HA HIS A 43 -10.581 7.421 4.614 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -11.334 7.161 6.996 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -10.578 5.581 7.062 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -9.551 9.336 7.261 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -6.001 7.063 7.470 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -6.960 9.425 7.725 1.00 0.00 H new ATOM 600 N LEU A 44 -9.630 4.268 4.705 1.00 0.00 N ATOM 601 CA LEU A 44 -8.561 3.336 4.226 1.00 0.00 C ATOM 602 C LEU A 44 -8.443 3.423 2.704 1.00 0.00 C ATOM 603 O LEU A 44 -7.363 3.400 2.147 1.00 0.00 O ATOM 604 CB LEU A 44 -8.927 1.902 4.619 1.00 0.00 C ATOM 605 CG LEU A 44 -8.825 1.732 6.143 1.00 0.00 C ATOM 606 CD1 LEU A 44 -9.506 0.423 6.562 1.00 0.00 C ATOM 607 CD2 LEU A 44 -7.348 1.702 6.581 1.00 0.00 C ATOM 0 H LEU A 44 -10.429 3.814 5.147 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.610 3.615 4.680 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.939 1.672 4.286 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.260 1.198 4.121 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.321 2.575 6.623 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.432 0.304 7.643 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -10.556 0.450 6.270 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.014 -0.417 6.071 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.292 1.581 7.663 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.841 0.868 6.096 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.865 2.636 6.295 1.00 0.00 H new ATOM 619 N GLU A 45 -9.556 3.512 2.033 1.00 0.00 N ATOM 620 CA GLU A 45 -9.537 3.589 0.543 1.00 0.00 C ATOM 621 C GLU A 45 -8.781 4.845 0.098 1.00 0.00 C ATOM 622 O GLU A 45 -7.983 4.816 -0.822 1.00 0.00 O ATOM 623 CB GLU A 45 -10.979 3.665 0.033 1.00 0.00 C ATOM 624 CG GLU A 45 -11.689 2.330 0.273 1.00 0.00 C ATOM 625 CD GLU A 45 -11.062 1.251 -0.611 1.00 0.00 C ATOM 626 OE1 GLU A 45 -10.986 1.467 -1.810 1.00 0.00 O ATOM 627 OE2 GLU A 45 -10.668 0.228 -0.076 1.00 0.00 O ATOM 0 H GLU A 45 -10.485 3.535 2.454 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.040 2.707 0.139 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.512 4.467 0.543 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.985 3.904 -1.030 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -11.608 2.047 1.323 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -12.751 2.426 0.049 1.00 0.00 H new ATOM 634 N GLY A 46 -9.035 5.946 0.747 1.00 0.00 N ATOM 635 CA GLY A 46 -8.349 7.220 0.375 1.00 0.00 C ATOM 636 C GLY A 46 -6.837 7.085 0.575 1.00 0.00 C ATOM 637 O GLY A 46 -6.049 7.426 -0.287 1.00 0.00 O ATOM 0 H GLY A 46 -9.692 6.021 1.524 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -8.565 7.468 -0.664 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -8.732 8.039 0.984 1.00 0.00 H new ATOM 641 N LYS A 47 -6.432 6.588 1.712 1.00 0.00 N ATOM 642 CA LYS A 47 -4.973 6.420 1.990 1.00 0.00 C ATOM 643 C LYS A 47 -4.393 5.356 1.055 1.00 0.00 C ATOM 644 O LYS A 47 -3.233 5.388 0.691 1.00 0.00 O ATOM 645 CB LYS A 47 -4.774 5.988 3.442 1.00 0.00 C ATOM 646 CG LYS A 47 -3.282 6.010 3.779 1.00 0.00 C ATOM 647 CD LYS A 47 -3.079 5.642 5.251 1.00 0.00 C ATOM 648 CE LYS A 47 -1.586 5.683 5.586 1.00 0.00 C ATOM 649 NZ LYS A 47 -1.070 7.067 5.388 1.00 0.00 N ATOM 0 H LYS A 47 -7.051 6.289 2.466 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.462 7.368 1.822 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.319 6.656 4.109 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.178 4.987 3.594 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.745 5.308 3.141 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.869 6.999 3.581 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.625 6.337 5.889 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.479 4.647 5.447 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.425 5.367 6.617 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.040 4.986 4.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.183 7.186 5.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.893 7.230 4.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.773 7.752 5.732 1.00 0.00 H new ATOM 663 N LEU A 48 -5.203 4.407 0.677 1.00 0.00 N ATOM 664 CA LEU A 48 -4.731 3.317 -0.225 1.00 0.00 C ATOM 665 C LEU A 48 -4.296 3.913 -1.565 1.00 0.00 C ATOM 666 O LEU A 48 -3.329 3.483 -2.169 1.00 0.00 O ATOM 667 CB LEU A 48 -5.870 2.323 -0.461 1.00 0.00 C ATOM 668 CG LEU A 48 -5.365 1.131 -1.287 1.00 0.00 C ATOM 669 CD1 LEU A 48 -4.303 0.346 -0.493 1.00 0.00 C ATOM 670 CD2 LEU A 48 -6.547 0.214 -1.626 1.00 0.00 C ATOM 0 H LEU A 48 -6.182 4.339 0.957 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.887 2.805 0.237 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.263 1.974 0.494 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.691 2.815 -0.982 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.911 1.497 -2.208 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.952 -0.497 -1.089 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.463 1.001 -0.262 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.741 -0.023 0.434 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.193 -0.634 -2.213 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.003 -0.147 -0.704 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.286 0.771 -2.202 1.00 0.00 H new ATOM 682 N ALA A 49 -5.010 4.896 -2.033 1.00 0.00 N ATOM 683 CA ALA A 49 -4.659 5.528 -3.339 1.00 0.00 C ATOM 684 C ALA A 49 -3.179 5.921 -3.337 1.00 0.00 C ATOM 685 O ALA A 49 -2.509 5.880 -4.353 1.00 0.00 O ATOM 686 CB ALA A 49 -5.510 6.783 -3.533 1.00 0.00 C ATOM 0 H ALA A 49 -5.826 5.293 -1.567 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.848 4.822 -4.148 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.258 7.250 -4.485 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.566 6.511 -3.530 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.314 7.485 -2.722 1.00 0.00 H new ATOM 692 N GLU A 50 -2.670 6.301 -2.198 1.00 0.00 N ATOM 693 CA GLU A 50 -1.235 6.703 -2.109 1.00 0.00 C ATOM 694 C GLU A 50 -0.343 5.503 -2.442 1.00 0.00 C ATOM 695 O GLU A 50 0.634 5.616 -3.158 1.00 0.00 O ATOM 696 CB GLU A 50 -0.935 7.169 -0.683 1.00 0.00 C ATOM 697 CG GLU A 50 -1.721 8.447 -0.388 1.00 0.00 C ATOM 698 CD GLU A 50 -1.495 8.871 1.066 1.00 0.00 C ATOM 699 OE1 GLU A 50 -0.790 8.165 1.767 1.00 0.00 O ATOM 700 OE2 GLU A 50 -2.029 9.899 1.451 1.00 0.00 O ATOM 0 H GLU A 50 -3.187 6.351 -1.320 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.038 7.509 -2.815 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -1.206 6.390 0.030 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.133 7.351 -0.566 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.405 9.243 -1.062 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.783 8.281 -0.567 1.00 0.00 H new ATOM 707 N TYR A 51 -0.677 4.353 -1.921 1.00 0.00 N ATOM 708 CA TYR A 51 0.142 3.134 -2.197 1.00 0.00 C ATOM 709 C TYR A 51 0.120 2.826 -3.696 1.00 0.00 C ATOM 710 O TYR A 51 1.136 2.555 -4.306 1.00 0.00 O ATOM 711 CB TYR A 51 -0.454 1.947 -1.440 1.00 0.00 C ATOM 712 CG TYR A 51 -0.128 2.060 0.033 1.00 0.00 C ATOM 713 CD1 TYR A 51 -0.766 3.029 0.818 1.00 0.00 C ATOM 714 CD2 TYR A 51 0.816 1.203 0.610 1.00 0.00 C ATOM 715 CE1 TYR A 51 -0.461 3.133 2.181 1.00 0.00 C ATOM 716 CE2 TYR A 51 1.119 1.309 1.972 1.00 0.00 C ATOM 717 CZ TYR A 51 0.483 2.276 2.757 1.00 0.00 C ATOM 718 OH TYR A 51 0.783 2.382 4.099 1.00 0.00 O ATOM 0 H TYR A 51 -1.483 4.203 -1.315 1.00 0.00 H new ATOM 0 HA TYR A 51 1.168 3.308 -1.874 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -1.534 1.920 -1.581 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -0.057 1.014 -1.839 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.491 3.694 0.373 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.311 0.459 0.003 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.956 3.876 2.789 1.00 0.00 H new ATOM 0 HE2 TYR A 51 1.844 0.644 2.417 1.00 0.00 H new ATOM 0 HH TYR A 51 1.457 1.712 4.337 1.00 0.00 H new ATOM 728 N ILE A 52 -1.044 2.863 -4.286 1.00 0.00 N ATOM 729 CA ILE A 52 -1.162 2.564 -5.743 1.00 0.00 C ATOM 730 C ILE A 52 -0.424 3.634 -6.556 1.00 0.00 C ATOM 731 O ILE A 52 0.290 3.335 -7.496 1.00 0.00 O ATOM 732 CB ILE A 52 -2.643 2.558 -6.136 1.00 0.00 C ATOM 733 CG1 ILE A 52 -3.343 1.378 -5.451 1.00 0.00 C ATOM 734 CG2 ILE A 52 -2.769 2.407 -7.655 1.00 0.00 C ATOM 735 CD1 ILE A 52 -4.859 1.497 -5.628 1.00 0.00 C ATOM 0 H ILE A 52 -1.923 3.088 -3.820 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.720 1.590 -5.950 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.106 3.494 -5.824 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.991 0.438 -5.877 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -3.092 1.361 -4.390 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.823 2.403 -7.934 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.267 3.240 -8.146 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.307 1.470 -7.967 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.350 0.655 -5.139 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.205 2.429 -5.181 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.103 1.492 -6.690 1.00 0.00 H new ATOM 747 N SER A 53 -0.597 4.878 -6.200 1.00 0.00 N ATOM 748 CA SER A 53 0.085 5.977 -6.950 1.00 0.00 C ATOM 749 C SER A 53 1.602 5.828 -6.815 1.00 0.00 C ATOM 750 O SER A 53 2.339 5.910 -7.780 1.00 0.00 O ATOM 751 CB SER A 53 -0.349 7.323 -6.373 1.00 0.00 C ATOM 752 OG SER A 53 0.549 8.333 -6.808 1.00 0.00 O ATOM 0 H SER A 53 -1.181 5.183 -5.422 1.00 0.00 H new ATOM 0 HA SER A 53 -0.188 5.924 -8.004 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.363 7.559 -6.695 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.363 7.277 -5.284 1.00 0.00 H new ATOM 0 HG SER A 53 0.272 9.198 -6.440 1.00 0.00 H new ATOM 758 N LEU A 54 2.066 5.602 -5.617 1.00 0.00 N ATOM 759 CA LEU A 54 3.532 5.432 -5.387 1.00 0.00 C ATOM 760 C LEU A 54 3.999 4.136 -6.055 1.00 0.00 C ATOM 761 O LEU A 54 5.063 4.065 -6.640 1.00 0.00 O ATOM 762 CB LEU A 54 3.800 5.352 -3.882 1.00 0.00 C ATOM 763 CG LEU A 54 3.511 6.712 -3.226 1.00 0.00 C ATOM 764 CD1 LEU A 54 3.543 6.561 -1.699 1.00 0.00 C ATOM 765 CD2 LEU A 54 4.559 7.754 -3.665 1.00 0.00 C ATOM 0 H LEU A 54 1.489 5.527 -4.779 1.00 0.00 H new ATOM 0 HA LEU A 54 4.073 6.278 -5.811 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.174 4.581 -3.433 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.836 5.065 -3.703 1.00 0.00 H new ATOM 0 HG LEU A 54 2.525 7.053 -3.541 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.338 7.525 -1.234 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.786 5.840 -1.389 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.527 6.210 -1.389 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.340 8.711 -3.192 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.552 7.420 -3.365 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.526 7.869 -4.748 1.00 0.00 H new ATOM 777 N ALA A 55 3.198 3.111 -5.957 1.00 0.00 N ATOM 778 CA ALA A 55 3.565 1.796 -6.563 1.00 0.00 C ATOM 779 C ALA A 55 3.782 1.960 -8.068 1.00 0.00 C ATOM 780 O ALA A 55 4.750 1.479 -8.626 1.00 0.00 O ATOM 781 CB ALA A 55 2.425 0.805 -6.327 1.00 0.00 C ATOM 0 H ALA A 55 2.297 3.127 -5.479 1.00 0.00 H new ATOM 0 HA ALA A 55 4.483 1.429 -6.105 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.684 -0.159 -6.766 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.264 0.684 -5.256 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.513 1.182 -6.791 1.00 0.00 H new ATOM 787 N LYS A 56 2.883 2.642 -8.726 1.00 0.00 N ATOM 788 CA LYS A 56 3.023 2.851 -10.197 1.00 0.00 C ATOM 789 C LYS A 56 4.272 3.685 -10.481 1.00 0.00 C ATOM 790 O LYS A 56 5.011 3.426 -11.412 1.00 0.00 O ATOM 791 CB LYS A 56 1.793 3.591 -10.729 1.00 0.00 C ATOM 792 CG LYS A 56 0.583 2.655 -10.715 1.00 0.00 C ATOM 793 CD LYS A 56 -0.645 3.396 -11.252 1.00 0.00 C ATOM 794 CE LYS A 56 -1.853 2.456 -11.257 1.00 0.00 C ATOM 795 NZ LYS A 56 -1.573 1.293 -12.149 1.00 0.00 N ATOM 0 H LYS A 56 2.055 3.065 -8.307 1.00 0.00 H new ATOM 0 HA LYS A 56 3.110 1.883 -10.690 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.592 4.470 -10.117 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.980 3.945 -11.743 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.785 1.774 -11.325 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.394 2.304 -9.701 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.854 4.269 -10.634 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -0.450 3.759 -12.261 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -2.062 2.110 -10.245 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -2.740 2.988 -11.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -2.470 0.854 -12.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -1.058 1.618 -12.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.995 0.595 -11.638 1.00 0.00 H new ATOM 809 N GLN A 57 4.506 4.688 -9.682 1.00 0.00 N ATOM 810 CA GLN A 57 5.702 5.552 -9.898 1.00 0.00 C ATOM 811 C GLN A 57 6.972 4.732 -9.670 1.00 0.00 C ATOM 812 O GLN A 57 7.908 4.778 -10.447 1.00 0.00 O ATOM 813 CB GLN A 57 5.668 6.717 -8.904 1.00 0.00 C ATOM 814 CG GLN A 57 6.869 7.642 -9.134 1.00 0.00 C ATOM 815 CD GLN A 57 6.792 8.238 -10.540 1.00 0.00 C ATOM 816 OE1 GLN A 57 5.726 8.566 -11.017 1.00 0.00 O ATOM 817 NE2 GLN A 57 7.890 8.388 -11.229 1.00 0.00 N ATOM 0 H GLN A 57 3.921 4.948 -8.888 1.00 0.00 H new ATOM 0 HA GLN A 57 5.695 5.936 -10.918 1.00 0.00 H new ATOM 0 HB2 GLN A 57 4.740 7.277 -9.020 1.00 0.00 H new ATOM 0 HB3 GLN A 57 5.684 6.335 -7.883 1.00 0.00 H new ATOM 0 HG2 GLN A 57 6.876 8.438 -8.390 1.00 0.00 H new ATOM 0 HG3 GLN A 57 7.798 7.085 -9.014 1.00 0.00 H new ATOM 0 HE21 GLN A 57 8.786 8.112 -10.827 1.00 0.00 H new ATOM 0 HE22 GLN A 57 7.852 8.781 -12.169 1.00 0.00 H new ATOM 826 N VAL A 58 7.004 3.980 -8.604 1.00 0.00 N ATOM 827 CA VAL A 58 8.205 3.149 -8.307 1.00 0.00 C ATOM 828 C VAL A 58 8.356 2.073 -9.379 1.00 0.00 C ATOM 829 O VAL A 58 9.440 1.820 -9.871 1.00 0.00 O ATOM 830 CB VAL A 58 8.041 2.495 -6.933 1.00 0.00 C ATOM 831 CG1 VAL A 58 9.166 1.482 -6.698 1.00 0.00 C ATOM 832 CG2 VAL A 58 8.098 3.576 -5.851 1.00 0.00 C ATOM 0 H VAL A 58 6.248 3.905 -7.924 1.00 0.00 H new ATOM 0 HA VAL A 58 9.095 3.778 -8.303 1.00 0.00 H new ATOM 0 HB VAL A 58 7.082 1.979 -6.892 1.00 0.00 H new ATOM 0 HG11 VAL A 58 9.042 1.021 -5.718 1.00 0.00 H new ATOM 0 HG12 VAL A 58 9.129 0.712 -7.468 1.00 0.00 H new ATOM 0 HG13 VAL A 58 10.129 1.991 -6.740 1.00 0.00 H new ATOM 0 HG21 VAL A 58 7.982 3.115 -4.870 1.00 0.00 H new ATOM 0 HG22 VAL A 58 9.059 4.089 -5.899 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.294 4.295 -6.012 1.00 0.00 H new ATOM 842 N TYR A 59 7.271 1.434 -9.743 1.00 0.00 N ATOM 843 CA TYR A 59 7.331 0.361 -10.787 1.00 0.00 C ATOM 844 C TYR A 59 6.338 0.674 -11.908 1.00 0.00 C ATOM 845 O TYR A 59 5.195 1.021 -11.674 1.00 0.00 O ATOM 846 CB TYR A 59 6.991 -0.991 -10.160 1.00 0.00 C ATOM 847 CG TYR A 59 7.266 -2.082 -11.163 1.00 0.00 C ATOM 848 CD1 TYR A 59 8.541 -2.655 -11.235 1.00 0.00 C ATOM 849 CD2 TYR A 59 6.255 -2.510 -12.032 1.00 0.00 C ATOM 850 CE1 TYR A 59 8.803 -3.667 -12.165 1.00 0.00 C ATOM 851 CE2 TYR A 59 6.517 -3.524 -12.962 1.00 0.00 C ATOM 852 CZ TYR A 59 7.794 -4.097 -13.034 1.00 0.00 C ATOM 853 OH TYR A 59 8.052 -5.094 -13.951 1.00 0.00 O ATOM 0 H TYR A 59 6.342 1.610 -9.361 1.00 0.00 H new ATOM 0 HA TYR A 59 8.339 0.321 -11.201 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.586 -1.149 -9.260 1.00 0.00 H new ATOM 0 HB3 TYR A 59 5.944 -1.013 -9.858 1.00 0.00 H new ATOM 0 HD1 TYR A 59 9.323 -2.316 -10.572 1.00 0.00 H new ATOM 0 HD2 TYR A 59 5.275 -2.059 -11.985 1.00 0.00 H new ATOM 0 HE1 TYR A 59 9.784 -4.116 -12.212 1.00 0.00 H new ATOM 0 HE2 TYR A 59 5.735 -3.865 -13.624 1.00 0.00 H new ATOM 0 HH TYR A 59 7.244 -5.273 -14.475 1.00 0.00 H new ATOM 863 N ALA A 60 6.790 0.562 -13.123 1.00 0.00 N ATOM 864 CA ALA A 60 5.920 0.852 -14.302 1.00 0.00 C ATOM 865 C ALA A 60 4.553 0.184 -14.153 1.00 0.00 C ATOM 866 O ALA A 60 3.670 0.683 -13.480 1.00 0.00 O ATOM 867 CB ALA A 60 6.599 0.313 -15.563 1.00 0.00 C ATOM 0 H ALA A 60 7.741 0.277 -13.357 1.00 0.00 H new ATOM 0 HA ALA A 60 5.775 1.930 -14.371 1.00 0.00 H new ATOM 0 HB1 ALA A 60 5.972 0.519 -16.430 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.567 0.798 -15.691 1.00 0.00 H new ATOM 0 HB3 ALA A 60 6.743 -0.763 -15.467 1.00 0.00 H new ATOM 873 N ASN A 61 4.368 -0.937 -14.802 1.00 0.00 N ATOM 874 CA ASN A 61 3.055 -1.641 -14.737 1.00 0.00 C ATOM 875 C ASN A 61 3.016 -2.550 -13.511 1.00 0.00 C ATOM 876 O ASN A 61 3.388 -3.709 -13.559 1.00 0.00 O ATOM 877 CB ASN A 61 2.868 -2.474 -16.010 1.00 0.00 C ATOM 878 CG ASN A 61 2.696 -1.543 -17.217 1.00 0.00 C ATOM 879 OD1 ASN A 61 2.282 -0.316 -17.034 1.00 0.00 O flip ATOM 880 ND2 ASN A 61 2.941 -1.933 -18.341 1.00 0.00 N flip ATOM 0 H ASN A 61 5.075 -1.396 -15.377 1.00 0.00 H new ATOM 0 HA ASN A 61 2.251 -0.909 -14.659 1.00 0.00 H new ATOM 0 HB2 ASN A 61 3.730 -3.124 -16.160 1.00 0.00 H new ATOM 0 HB3 ASN A 61 1.995 -3.119 -15.909 1.00 0.00 H new ATOM 0 HD21 ASN A 61 3.264 -2.889 -18.490 1.00 0.00 H new ATOM 0 HD22 ASN A 61 2.824 -1.305 -19.136 1.00 0.00 H new ATOM 887 N VAL A 62 2.561 -2.020 -12.409 1.00 0.00 N ATOM 888 CA VAL A 62 2.480 -2.822 -11.155 1.00 0.00 C ATOM 889 C VAL A 62 1.114 -3.498 -11.056 1.00 0.00 C ATOM 890 O VAL A 62 0.095 -2.925 -11.395 1.00 0.00 O ATOM 891 CB VAL A 62 2.691 -1.904 -9.944 1.00 0.00 C ATOM 892 CG1 VAL A 62 1.474 -0.989 -9.741 1.00 0.00 C ATOM 893 CG2 VAL A 62 2.896 -2.764 -8.696 1.00 0.00 C ATOM 0 H VAL A 62 2.239 -1.056 -12.323 1.00 0.00 H new ATOM 0 HA VAL A 62 3.255 -3.588 -11.169 1.00 0.00 H new ATOM 0 HB VAL A 62 3.568 -1.281 -10.119 1.00 0.00 H new ATOM 0 HG11 VAL A 62 1.643 -0.346 -8.878 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.329 -0.374 -10.629 1.00 0.00 H new ATOM 0 HG13 VAL A 62 0.586 -1.597 -9.572 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.047 -2.119 -7.830 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.016 -3.387 -8.535 1.00 0.00 H new ATOM 0 HG23 VAL A 62 3.771 -3.399 -8.832 1.00 0.00 H new ATOM 903 N GLU A 63 1.096 -4.718 -10.596 1.00 0.00 N ATOM 904 CA GLU A 63 -0.186 -5.473 -10.462 1.00 0.00 C ATOM 905 C GLU A 63 -0.490 -5.699 -8.985 1.00 0.00 C ATOM 906 O GLU A 63 0.370 -6.068 -8.206 1.00 0.00 O ATOM 907 CB GLU A 63 -0.047 -6.825 -11.167 1.00 0.00 C ATOM 908 CG GLU A 63 0.077 -6.606 -12.677 1.00 0.00 C ATOM 909 CD GLU A 63 -1.226 -6.014 -13.220 1.00 0.00 C ATOM 910 OE1 GLU A 63 -2.272 -6.572 -12.933 1.00 0.00 O ATOM 911 OE2 GLU A 63 -1.157 -5.010 -13.911 1.00 0.00 O ATOM 0 H GLU A 63 1.926 -5.233 -10.303 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.998 -4.904 -10.915 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.830 -7.353 -10.793 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.913 -7.451 -10.950 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.909 -5.935 -12.890 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.294 -7.551 -13.175 1.00 0.00 H new ATOM 918 N TYR A 64 -1.712 -5.462 -8.599 1.00 0.00 N ATOM 919 CA TYR A 64 -2.099 -5.641 -7.169 1.00 0.00 C ATOM 920 C TYR A 64 -3.565 -6.065 -7.071 1.00 0.00 C ATOM 921 O TYR A 64 -4.338 -5.916 -8.000 1.00 0.00 O ATOM 922 CB TYR A 64 -1.901 -4.325 -6.414 1.00 0.00 C ATOM 923 CG TYR A 64 -2.727 -3.228 -7.052 1.00 0.00 C ATOM 924 CD1 TYR A 64 -2.212 -2.502 -8.135 1.00 0.00 C ATOM 925 CD2 TYR A 64 -3.995 -2.917 -6.545 1.00 0.00 C ATOM 926 CE1 TYR A 64 -2.970 -1.480 -8.718 1.00 0.00 C ATOM 927 CE2 TYR A 64 -4.754 -1.895 -7.130 1.00 0.00 C ATOM 928 CZ TYR A 64 -4.238 -1.171 -8.211 1.00 0.00 C ATOM 929 OH TYR A 64 -4.984 -0.160 -8.784 1.00 0.00 O ATOM 0 H TYR A 64 -2.464 -5.151 -9.214 1.00 0.00 H new ATOM 0 HA TYR A 64 -1.471 -6.415 -6.728 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -2.191 -4.449 -5.371 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -0.847 -4.048 -6.421 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -1.229 -2.732 -8.520 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.388 -3.466 -5.702 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -2.577 -0.929 -9.560 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -5.737 -1.666 -6.747 1.00 0.00 H new ATOM 0 HH TYR A 64 -5.839 -0.077 -8.312 1.00 0.00 H new ATOM 939 N GLU A 65 -3.939 -6.592 -5.939 1.00 0.00 N ATOM 940 CA GLU A 65 -5.348 -7.041 -5.729 1.00 0.00 C ATOM 941 C GLU A 65 -5.761 -6.743 -4.288 1.00 0.00 C ATOM 942 O GLU A 65 -4.934 -6.654 -3.399 1.00 0.00 O ATOM 943 CB GLU A 65 -5.456 -8.546 -5.988 1.00 0.00 C ATOM 944 CG GLU A 65 -4.480 -9.307 -5.083 1.00 0.00 C ATOM 945 CD GLU A 65 -4.570 -10.807 -5.379 1.00 0.00 C ATOM 946 OE1 GLU A 65 -5.651 -11.258 -5.721 1.00 0.00 O ATOM 947 OE2 GLU A 65 -3.559 -11.477 -5.259 1.00 0.00 O ATOM 0 H GLU A 65 -3.322 -6.733 -5.139 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.004 -6.510 -6.419 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -6.476 -8.883 -5.801 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -5.236 -8.760 -7.034 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -3.462 -8.953 -5.249 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -4.716 -9.118 -4.036 1.00 0.00 H new ATOM 954 N VAL A 66 -7.038 -6.579 -4.061 1.00 0.00 N ATOM 955 CA VAL A 66 -7.544 -6.274 -2.686 1.00 0.00 C ATOM 956 C VAL A 66 -8.504 -7.370 -2.232 1.00 0.00 C ATOM 957 O VAL A 66 -9.419 -7.751 -2.938 1.00 0.00 O ATOM 958 CB VAL A 66 -8.278 -4.938 -2.702 1.00 0.00 C ATOM 959 CG1 VAL A 66 -8.810 -4.640 -1.300 1.00 0.00 C ATOM 960 CG2 VAL A 66 -7.309 -3.833 -3.127 1.00 0.00 C ATOM 0 H VAL A 66 -7.762 -6.644 -4.777 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.701 -6.224 -1.997 1.00 0.00 H new ATOM 0 HB VAL A 66 -9.109 -4.982 -3.406 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -9.336 -3.685 -1.306 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -9.496 -5.430 -0.996 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.978 -4.591 -0.598 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -7.831 -2.876 -3.139 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.480 -3.785 -2.421 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -6.925 -4.050 -4.124 1.00 0.00 H new ATOM 970 N ALA A 67 -8.287 -7.876 -1.051 1.00 0.00 N ATOM 971 CA ALA A 67 -9.164 -8.953 -0.511 1.00 0.00 C ATOM 972 C ALA A 67 -10.405 -8.323 0.140 1.00 0.00 C ATOM 973 O ALA A 67 -10.488 -7.119 0.299 1.00 0.00 O ATOM 974 CB ALA A 67 -8.379 -9.780 0.528 1.00 0.00 C ATOM 0 H ALA A 67 -7.532 -7.587 -0.430 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.483 -9.610 -1.320 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -9.019 -10.568 0.924 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.505 -10.226 0.053 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.057 -9.131 1.342 1.00 0.00 H new ATOM 980 N PRO A 68 -11.365 -9.137 0.503 1.00 0.00 N ATOM 981 CA PRO A 68 -12.630 -8.660 1.144 1.00 0.00 C ATOM 982 C PRO A 68 -12.382 -7.755 2.357 1.00 0.00 C ATOM 983 O PRO A 68 -11.604 -8.068 3.240 1.00 0.00 O ATOM 984 CB PRO A 68 -13.325 -9.964 1.572 1.00 0.00 C ATOM 985 CG PRO A 68 -12.799 -10.998 0.635 1.00 0.00 C ATOM 986 CD PRO A 68 -11.355 -10.603 0.348 1.00 0.00 C ATOM 0 HA PRO A 68 -13.220 -8.047 0.463 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -13.095 -10.214 2.608 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -14.409 -9.878 1.498 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -12.851 -11.992 1.080 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -13.386 -11.028 -0.283 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -10.663 -11.076 1.045 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -11.049 -10.899 -0.655 1.00 0.00 H new ATOM 994 N VAL A 69 -13.053 -6.630 2.398 1.00 0.00 N ATOM 995 CA VAL A 69 -12.889 -5.675 3.539 1.00 0.00 C ATOM 996 C VAL A 69 -14.264 -5.232 4.050 1.00 0.00 C ATOM 997 O VAL A 69 -15.136 -4.852 3.290 1.00 0.00 O ATOM 998 CB VAL A 69 -12.095 -4.457 3.067 1.00 0.00 C ATOM 999 CG1 VAL A 69 -12.124 -3.370 4.145 1.00 0.00 C ATOM 1000 CG2 VAL A 69 -10.643 -4.872 2.797 1.00 0.00 C ATOM 0 H VAL A 69 -13.714 -6.329 1.682 1.00 0.00 H new ATOM 0 HA VAL A 69 -12.353 -6.168 4.350 1.00 0.00 H new ATOM 0 HB VAL A 69 -12.541 -4.066 2.152 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -11.557 -2.504 3.804 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -13.156 -3.075 4.337 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -11.680 -3.756 5.063 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -10.074 -4.006 2.460 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -10.200 -5.263 3.713 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -10.622 -5.642 2.026 1.00 0.00 H new ATOM 1010 N ALA A 70 -14.449 -5.280 5.338 1.00 0.00 N ATOM 1011 CA ALA A 70 -15.748 -4.863 5.939 1.00 0.00 C ATOM 1012 C ALA A 70 -15.866 -3.337 5.925 1.00 0.00 C ATOM 1013 O ALA A 70 -14.884 -2.619 5.949 1.00 0.00 O ATOM 1014 CB ALA A 70 -15.825 -5.371 7.383 1.00 0.00 C ATOM 0 H ALA A 70 -13.748 -5.594 6.009 1.00 0.00 H new ATOM 0 HA ALA A 70 -16.566 -5.287 5.357 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -16.774 -5.068 7.825 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -15.752 -6.459 7.390 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -15.003 -4.949 7.962 1.00 0.00 H new ATOM 1020 N ASP A 71 -17.072 -2.844 5.886 1.00 0.00 N ATOM 1021 CA ASP A 71 -17.293 -1.368 5.870 1.00 0.00 C ATOM 1022 C ASP A 71 -16.783 -0.767 7.181 1.00 0.00 C ATOM 1023 O ASP A 71 -16.249 0.326 7.215 1.00 0.00 O ATOM 1024 CB ASP A 71 -18.799 -1.088 5.726 1.00 0.00 C ATOM 1025 CG ASP A 71 -19.214 -1.122 4.250 1.00 0.00 C ATOM 1026 OD1 ASP A 71 -18.341 -1.044 3.400 1.00 0.00 O ATOM 1027 OD2 ASP A 71 -20.403 -1.226 3.994 1.00 0.00 O ATOM 0 H ASP A 71 -17.924 -3.405 5.864 1.00 0.00 H new ATOM 0 HA ASP A 71 -16.756 -0.921 5.034 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -19.368 -1.830 6.287 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -19.036 -0.114 6.154 1.00 0.00 H new ATOM 1032 N ASN A 72 -16.943 -1.476 8.263 1.00 0.00 N ATOM 1033 CA ASN A 72 -16.473 -0.963 9.585 1.00 0.00 C ATOM 1034 C ASN A 72 -15.066 -1.506 9.868 1.00 0.00 C ATOM 1035 O ASN A 72 -14.571 -1.442 10.977 1.00 0.00 O ATOM 1036 CB ASN A 72 -17.445 -1.431 10.672 1.00 0.00 C ATOM 1037 CG ASN A 72 -17.089 -0.767 12.001 1.00 0.00 C ATOM 1038 OD1 ASN A 72 -16.679 0.376 12.030 1.00 0.00 O ATOM 1039 ND2 ASN A 72 -17.229 -1.439 13.112 1.00 0.00 N ATOM 0 H ASN A 72 -17.382 -2.396 8.291 1.00 0.00 H new ATOM 0 HA ASN A 72 -16.438 0.126 9.575 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -18.468 -1.180 10.391 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -17.399 -2.515 10.772 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -16.994 -1.004 14.004 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -17.573 -2.399 13.088 1.00 0.00 H new ATOM 1046 N ALA A 73 -14.429 -2.054 8.864 1.00 0.00 N ATOM 1047 CA ALA A 73 -13.058 -2.627 9.044 1.00 0.00 C ATOM 1048 C ALA A 73 -12.087 -1.562 9.562 1.00 0.00 C ATOM 1049 O ALA A 73 -12.172 -0.396 9.219 1.00 0.00 O ATOM 1050 CB ALA A 73 -12.547 -3.161 7.703 1.00 0.00 C ATOM 0 H ALA A 73 -14.803 -2.130 7.918 1.00 0.00 H new ATOM 0 HA ALA A 73 -13.115 -3.435 9.773 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.549 -3.578 7.834 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.220 -3.938 7.340 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.508 -2.348 6.979 1.00 0.00 H new ATOM 1056 N THR A 74 -11.157 -1.971 10.385 1.00 0.00 N ATOM 1057 CA THR A 74 -10.151 -1.020 10.945 1.00 0.00 C ATOM 1058 C THR A 74 -8.856 -1.119 10.136 1.00 0.00 C ATOM 1059 O THR A 74 -7.894 -0.423 10.394 1.00 0.00 O ATOM 1060 CB THR A 74 -9.867 -1.396 12.406 1.00 0.00 C ATOM 1061 OG1 THR A 74 -9.192 -2.649 12.451 1.00 0.00 O ATOM 1062 CG2 THR A 74 -11.184 -1.503 13.176 1.00 0.00 C ATOM 0 H THR A 74 -11.051 -2.936 10.697 1.00 0.00 H new ATOM 0 HA THR A 74 -10.536 -0.002 10.893 1.00 0.00 H new ATOM 0 HB THR A 74 -9.243 -0.627 12.861 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.009 -2.889 13.383 1.00 0.00 H new ATOM 0 HG21 THR A 74 -10.979 -1.770 14.213 1.00 0.00 H new ATOM 0 HG22 THR A 74 -11.703 -0.545 13.144 1.00 0.00 H new ATOM 0 HG23 THR A 74 -11.810 -2.270 12.721 1.00 0.00 H new ATOM 1070 N GLU A 75 -8.825 -1.984 9.153 1.00 0.00 N ATOM 1071 CA GLU A 75 -7.592 -2.129 8.322 1.00 0.00 C ATOM 1072 C GLU A 75 -7.957 -2.657 6.939 1.00 0.00 C ATOM 1073 O GLU A 75 -9.035 -3.182 6.726 1.00 0.00 O ATOM 1074 CB GLU A 75 -6.616 -3.096 8.999 1.00 0.00 C ATOM 1075 CG GLU A 75 -7.277 -4.470 9.164 1.00 0.00 C ATOM 1076 CD GLU A 75 -6.329 -5.409 9.916 1.00 0.00 C ATOM 1077 OE1 GLU A 75 -5.658 -4.941 10.822 1.00 0.00 O ATOM 1078 OE2 GLU A 75 -6.289 -6.578 9.571 1.00 0.00 O ATOM 0 H GLU A 75 -9.599 -2.595 8.891 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.118 -1.153 8.221 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.708 -3.188 8.402 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.319 -2.706 9.973 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -8.215 -4.370 9.710 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -7.520 -4.888 8.187 1.00 0.00 H new ATOM 1085 N LEU A 76 -7.062 -2.518 6.000 1.00 0.00 N ATOM 1086 CA LEU A 76 -7.326 -3.000 4.611 1.00 0.00 C ATOM 1087 C LEU A 76 -6.198 -3.927 4.164 1.00 0.00 C ATOM 1088 O LEU A 76 -5.028 -3.593 4.243 1.00 0.00 O ATOM 1089 CB LEU A 76 -7.399 -1.798 3.667 1.00 0.00 C ATOM 1090 CG LEU A 76 -7.623 -2.278 2.209 1.00 0.00 C ATOM 1091 CD1 LEU A 76 -8.658 -1.385 1.518 1.00 0.00 C ATOM 1092 CD2 LEU A 76 -6.307 -2.217 1.424 1.00 0.00 C ATOM 0 H LEU A 76 -6.148 -2.086 6.136 1.00 0.00 H new ATOM 0 HA LEU A 76 -8.270 -3.545 4.589 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -8.211 -1.137 3.969 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.477 -1.220 3.730 1.00 0.00 H new ATOM 0 HG LEU A 76 -7.984 -3.306 2.234 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -8.810 -1.729 0.495 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -9.602 -1.435 2.061 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -8.300 -0.356 1.506 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.477 -2.556 0.402 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.939 -1.191 1.409 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.568 -2.860 1.902 1.00 0.00 H new ATOM 1104 N HIS A 77 -6.553 -5.095 3.700 1.00 0.00 N ATOM 1105 CA HIS A 77 -5.531 -6.079 3.241 1.00 0.00 C ATOM 1106 C HIS A 77 -5.385 -6.006 1.723 1.00 0.00 C ATOM 1107 O HIS A 77 -6.338 -6.161 0.978 1.00 0.00 O ATOM 1108 CB HIS A 77 -5.965 -7.489 3.641 1.00 0.00 C ATOM 1109 CG HIS A 77 -4.847 -8.450 3.357 1.00 0.00 C ATOM 1110 ND1 HIS A 77 -4.691 -9.062 2.124 1.00 0.00 N ATOM 1111 CD2 HIS A 77 -3.814 -8.909 4.137 1.00 0.00 C ATOM 1112 CE1 HIS A 77 -3.600 -9.848 2.198 1.00 0.00 C ATOM 1113 NE2 HIS A 77 -3.028 -9.792 3.403 1.00 0.00 N ATOM 0 H HIS A 77 -7.519 -5.413 3.619 1.00 0.00 H new ATOM 0 HA HIS A 77 -4.574 -5.844 3.706 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -6.223 -7.516 4.700 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -6.858 -7.778 3.087 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -3.638 -8.627 5.165 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -3.232 -10.451 1.381 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -2.195 -10.289 3.718 1.00 0.00 H new ATOM 1121 N ALA A 78 -4.187 -5.777 1.267 1.00 0.00 N ATOM 1122 CA ALA A 78 -3.932 -5.693 -0.200 1.00 0.00 C ATOM 1123 C ALA A 78 -2.578 -6.328 -0.503 1.00 0.00 C ATOM 1124 O ALA A 78 -1.728 -6.447 0.361 1.00 0.00 O ATOM 1125 CB ALA A 78 -3.913 -4.227 -0.638 1.00 0.00 C ATOM 0 H ALA A 78 -3.363 -5.643 1.853 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.720 -6.218 -0.740 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -3.726 -4.170 -1.710 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -4.875 -3.767 -0.412 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.124 -3.698 -0.104 1.00 0.00 H new ATOM 1131 N ARG A 79 -2.381 -6.741 -1.723 1.00 0.00 N ATOM 1132 CA ARG A 79 -1.091 -7.382 -2.115 1.00 0.00 C ATOM 1133 C ARG A 79 -0.540 -6.699 -3.364 1.00 0.00 C ATOM 1134 O ARG A 79 -1.263 -6.394 -4.294 1.00 0.00 O ATOM 1135 CB ARG A 79 -1.327 -8.864 -2.406 1.00 0.00 C ATOM 1136 CG ARG A 79 0.013 -9.536 -2.721 1.00 0.00 C ATOM 1137 CD ARG A 79 -0.200 -11.028 -2.971 1.00 0.00 C ATOM 1138 NE ARG A 79 -0.732 -11.674 -1.737 1.00 0.00 N ATOM 1139 CZ ARG A 79 0.073 -12.036 -0.772 1.00 0.00 C ATOM 1140 NH1 ARG A 79 1.358 -11.822 -0.862 1.00 0.00 N ATOM 1141 NH2 ARG A 79 -0.416 -12.614 0.291 1.00 0.00 N ATOM 0 H ARG A 79 -3.065 -6.662 -2.475 1.00 0.00 H new ATOM 0 HA ARG A 79 -0.373 -7.281 -1.301 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -1.796 -9.345 -1.548 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -2.011 -8.977 -3.247 1.00 0.00 H new ATOM 0 HG2 ARG A 79 0.465 -9.072 -3.598 1.00 0.00 H new ATOM 0 HG3 ARG A 79 0.706 -9.393 -1.892 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -0.896 -11.172 -3.797 1.00 0.00 H new ATOM 0 HD3 ARG A 79 0.741 -11.496 -3.261 1.00 0.00 H new ATOM 0 HE ARG A 79 -1.735 -11.835 -1.644 1.00 0.00 H new ATOM 0 HH11 ARG A 79 1.743 -11.369 -1.691 1.00 0.00 H new ATOM 0 HH12 ARG A 79 1.977 -12.108 -0.104 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -1.420 -12.781 0.365 1.00 0.00 H new ATOM 0 HH22 ARG A 79 0.205 -12.899 1.048 1.00 0.00 H new ATOM 1155 N PHE A 80 0.743 -6.459 -3.376 1.00 0.00 N ATOM 1156 CA PHE A 80 1.392 -5.790 -4.546 1.00 0.00 C ATOM 1157 C PHE A 80 2.517 -6.673 -5.079 1.00 0.00 C ATOM 1158 O PHE A 80 3.180 -7.376 -4.338 1.00 0.00 O ATOM 1159 CB PHE A 80 1.974 -4.449 -4.097 1.00 0.00 C ATOM 1160 CG PHE A 80 0.852 -3.461 -3.879 1.00 0.00 C ATOM 1161 CD1 PHE A 80 0.106 -3.496 -2.694 1.00 0.00 C ATOM 1162 CD2 PHE A 80 0.556 -2.512 -4.864 1.00 0.00 C ATOM 1163 CE1 PHE A 80 -0.934 -2.579 -2.495 1.00 0.00 C ATOM 1164 CE2 PHE A 80 -0.484 -1.596 -4.665 1.00 0.00 C ATOM 1165 CZ PHE A 80 -1.228 -1.629 -3.481 1.00 0.00 C ATOM 0 H PHE A 80 1.379 -6.700 -2.616 1.00 0.00 H new ATOM 0 HA PHE A 80 0.653 -5.629 -5.331 1.00 0.00 H new ATOM 0 HB2 PHE A 80 2.544 -4.578 -3.177 1.00 0.00 H new ATOM 0 HB3 PHE A 80 2.665 -4.070 -4.850 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.332 -4.229 -1.934 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.130 -2.486 -5.778 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -1.509 -2.605 -1.581 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -0.712 -0.864 -5.426 1.00 0.00 H new ATOM 0 HZ PHE A 80 -2.029 -0.922 -3.327 1.00 0.00 H new ATOM 1175 N LYS A 81 2.726 -6.636 -6.367 1.00 0.00 N ATOM 1176 CA LYS A 81 3.800 -7.462 -7.001 1.00 0.00 C ATOM 1177 C LYS A 81 4.851 -6.534 -7.611 1.00 0.00 C ATOM 1178 O LYS A 81 4.537 -5.620 -8.353 1.00 0.00 O ATOM 1179 CB LYS A 81 3.182 -8.335 -8.097 1.00 0.00 C ATOM 1180 CG LYS A 81 4.265 -9.218 -8.720 1.00 0.00 C ATOM 1181 CD LYS A 81 3.636 -10.133 -9.774 1.00 0.00 C ATOM 1182 CE LYS A 81 4.717 -11.024 -10.392 1.00 0.00 C ATOM 1183 NZ LYS A 81 5.308 -11.901 -9.340 1.00 0.00 N ATOM 0 H LYS A 81 2.192 -6.061 -7.018 1.00 0.00 H new ATOM 0 HA LYS A 81 4.270 -8.100 -6.253 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.389 -8.955 -7.679 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.726 -7.707 -8.862 1.00 0.00 H new ATOM 0 HG2 LYS A 81 5.037 -8.598 -9.176 1.00 0.00 H new ATOM 0 HG3 LYS A 81 4.751 -9.815 -7.948 1.00 0.00 H new ATOM 0 HD2 LYS A 81 2.860 -10.748 -9.319 1.00 0.00 H new ATOM 0 HD3 LYS A 81 3.156 -9.535 -10.549 1.00 0.00 H new ATOM 0 HE2 LYS A 81 4.289 -11.633 -11.188 1.00 0.00 H new ATOM 0 HE3 LYS A 81 5.494 -10.408 -10.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 6.345 -11.890 -9.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 5.030 -11.552 -8.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 4.962 -12.874 -9.464 1.00 0.00 H new ATOM 1197 N PHE A 82 6.097 -6.766 -7.288 1.00 0.00 N ATOM 1198 CA PHE A 82 7.207 -5.910 -7.818 1.00 0.00 C ATOM 1199 C PHE A 82 8.222 -6.779 -8.573 1.00 0.00 C ATOM 1200 O PHE A 82 7.889 -7.458 -9.524 1.00 0.00 O ATOM 1201 CB PHE A 82 7.910 -5.220 -6.649 1.00 0.00 C ATOM 1202 CG PHE A 82 6.982 -4.215 -6.021 1.00 0.00 C ATOM 1203 CD1 PHE A 82 6.863 -2.938 -6.576 1.00 0.00 C ATOM 1204 CD2 PHE A 82 6.231 -4.563 -4.893 1.00 0.00 C ATOM 1205 CE1 PHE A 82 6.005 -2.000 -5.995 1.00 0.00 C ATOM 1206 CE2 PHE A 82 5.371 -3.625 -4.310 1.00 0.00 C ATOM 1207 CZ PHE A 82 5.251 -2.346 -4.867 1.00 0.00 C ATOM 0 H PHE A 82 6.399 -7.521 -6.672 1.00 0.00 H new ATOM 0 HA PHE A 82 6.794 -5.165 -8.498 1.00 0.00 H new ATOM 0 HB2 PHE A 82 8.216 -5.959 -5.909 1.00 0.00 H new ATOM 0 HB3 PHE A 82 8.816 -4.724 -6.998 1.00 0.00 H new ATOM 0 HD1 PHE A 82 7.434 -2.676 -7.454 1.00 0.00 H new ATOM 0 HD2 PHE A 82 6.315 -5.554 -4.473 1.00 0.00 H new ATOM 0 HE1 PHE A 82 5.924 -1.009 -6.416 1.00 0.00 H new ATOM 0 HE2 PHE A 82 4.801 -3.888 -3.431 1.00 0.00 H new ATOM 0 HZ PHE A 82 4.577 -1.626 -4.427 1.00 0.00 H new ATOM 1217 N GLU A 83 9.460 -6.751 -8.150 1.00 0.00 N ATOM 1218 CA GLU A 83 10.514 -7.555 -8.829 1.00 0.00 C ATOM 1219 C GLU A 83 11.585 -7.928 -7.803 1.00 0.00 C ATOM 1220 O GLU A 83 12.100 -9.027 -7.799 1.00 0.00 O ATOM 1221 CB GLU A 83 11.150 -6.715 -9.942 1.00 0.00 C ATOM 1222 CG GLU A 83 12.137 -7.569 -10.741 1.00 0.00 C ATOM 1223 CD GLU A 83 11.379 -8.665 -11.492 1.00 0.00 C ATOM 1224 OE1 GLU A 83 10.186 -8.510 -11.686 1.00 0.00 O ATOM 1225 OE2 GLU A 83 12.007 -9.646 -11.861 1.00 0.00 O ATOM 0 H GLU A 83 9.786 -6.200 -7.356 1.00 0.00 H new ATOM 0 HA GLU A 83 10.078 -8.458 -9.257 1.00 0.00 H new ATOM 0 HB2 GLU A 83 10.376 -6.325 -10.603 1.00 0.00 H new ATOM 0 HB3 GLU A 83 11.665 -5.856 -9.512 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.686 -6.944 -11.446 1.00 0.00 H new ATOM 0 HG3 GLU A 83 12.872 -8.015 -10.071 1.00 0.00 H new ATOM 1232 N VAL A 84 11.922 -7.010 -6.927 1.00 0.00 N ATOM 1233 CA VAL A 84 12.961 -7.295 -5.888 1.00 0.00 C ATOM 1234 C VAL A 84 12.504 -6.742 -4.537 1.00 0.00 C ATOM 1235 O VAL A 84 11.676 -5.854 -4.461 1.00 0.00 O ATOM 1236 CB VAL A 84 14.289 -6.647 -6.289 1.00 0.00 C ATOM 1237 CG1 VAL A 84 14.824 -7.331 -7.550 1.00 0.00 C ATOM 1238 CG2 VAL A 84 14.078 -5.157 -6.572 1.00 0.00 C ATOM 0 H VAL A 84 11.520 -6.073 -6.888 1.00 0.00 H new ATOM 0 HA VAL A 84 13.100 -8.373 -5.807 1.00 0.00 H new ATOM 0 HB VAL A 84 15.004 -6.759 -5.474 1.00 0.00 H new ATOM 0 HG11 VAL A 84 15.770 -6.873 -7.839 1.00 0.00 H new ATOM 0 HG12 VAL A 84 14.981 -8.391 -7.350 1.00 0.00 H new ATOM 0 HG13 VAL A 84 14.103 -7.217 -8.360 1.00 0.00 H new ATOM 0 HG21 VAL A 84 15.027 -4.703 -6.857 1.00 0.00 H new ATOM 0 HG22 VAL A 84 13.361 -5.039 -7.384 1.00 0.00 H new ATOM 0 HG23 VAL A 84 13.695 -4.667 -5.677 1.00 0.00 H new ATOM 1248 N SER A 85 13.042 -7.273 -3.477 1.00 0.00 N ATOM 1249 CA SER A 85 12.664 -6.805 -2.110 1.00 0.00 C ATOM 1250 C SER A 85 13.077 -5.346 -1.915 1.00 0.00 C ATOM 1251 O SER A 85 12.351 -4.554 -1.345 1.00 0.00 O ATOM 1252 CB SER A 85 13.374 -7.669 -1.070 1.00 0.00 C ATOM 1253 OG SER A 85 13.300 -7.032 0.197 1.00 0.00 O ATOM 0 H SER A 85 13.736 -8.020 -3.497 1.00 0.00 H new ATOM 0 HA SER A 85 11.583 -6.887 -1.993 1.00 0.00 H new ATOM 0 HB2 SER A 85 12.911 -8.655 -1.022 1.00 0.00 H new ATOM 0 HB3 SER A 85 14.415 -7.819 -1.354 1.00 0.00 H new ATOM 0 HG SER A 85 13.753 -7.584 0.868 1.00 0.00 H new ATOM 1259 N ALA A 86 14.254 -4.998 -2.374 1.00 0.00 N ATOM 1260 CA ALA A 86 14.761 -3.596 -2.213 1.00 0.00 C ATOM 1261 C ALA A 86 13.627 -2.585 -2.423 1.00 0.00 C ATOM 1262 O ALA A 86 13.458 -1.654 -1.660 1.00 0.00 O ATOM 1263 CB ALA A 86 15.850 -3.335 -3.252 1.00 0.00 C ATOM 0 H ALA A 86 14.892 -5.630 -2.858 1.00 0.00 H new ATOM 0 HA ALA A 86 15.159 -3.482 -1.205 1.00 0.00 H new ATOM 0 HB1 ALA A 86 16.223 -2.317 -3.140 1.00 0.00 H new ATOM 0 HB2 ALA A 86 16.669 -4.040 -3.106 1.00 0.00 H new ATOM 0 HB3 ALA A 86 15.436 -3.462 -4.252 1.00 0.00 H new ATOM 1269 N GLU A 87 12.852 -2.769 -3.453 1.00 0.00 N ATOM 1270 CA GLU A 87 11.727 -1.827 -3.732 1.00 0.00 C ATOM 1271 C GLU A 87 10.715 -1.863 -2.581 1.00 0.00 C ATOM 1272 O GLU A 87 10.102 -0.868 -2.244 1.00 0.00 O ATOM 1273 CB GLU A 87 11.037 -2.245 -5.032 1.00 0.00 C ATOM 1274 CG GLU A 87 11.984 -1.993 -6.209 1.00 0.00 C ATOM 1275 CD GLU A 87 11.351 -2.481 -7.514 1.00 0.00 C ATOM 1276 OE1 GLU A 87 10.216 -2.924 -7.472 1.00 0.00 O ATOM 1277 OE2 GLU A 87 12.014 -2.403 -8.535 1.00 0.00 O ATOM 0 H GLU A 87 12.948 -3.535 -4.120 1.00 0.00 H new ATOM 0 HA GLU A 87 12.118 -0.814 -3.828 1.00 0.00 H new ATOM 0 HB2 GLU A 87 10.763 -3.299 -4.990 1.00 0.00 H new ATOM 0 HB3 GLU A 87 10.114 -1.681 -5.165 1.00 0.00 H new ATOM 0 HG2 GLU A 87 12.209 -0.929 -6.282 1.00 0.00 H new ATOM 0 HG3 GLU A 87 12.930 -2.508 -6.041 1.00 0.00 H new ATOM 1284 N LYS A 88 10.539 -3.006 -1.979 1.00 0.00 N ATOM 1285 CA LYS A 88 9.568 -3.124 -0.852 1.00 0.00 C ATOM 1286 C LYS A 88 10.018 -2.234 0.311 1.00 0.00 C ATOM 1287 O LYS A 88 9.225 -1.556 0.936 1.00 0.00 O ATOM 1288 CB LYS A 88 9.528 -4.581 -0.378 1.00 0.00 C ATOM 1289 CG LYS A 88 8.433 -4.759 0.678 1.00 0.00 C ATOM 1290 CD LYS A 88 8.360 -6.232 1.095 1.00 0.00 C ATOM 1291 CE LYS A 88 7.249 -6.419 2.132 1.00 0.00 C ATOM 1292 NZ LYS A 88 7.166 -7.856 2.520 1.00 0.00 N ATOM 0 H LYS A 88 11.028 -3.868 -2.219 1.00 0.00 H new ATOM 0 HA LYS A 88 8.580 -2.811 -1.189 1.00 0.00 H new ATOM 0 HB2 LYS A 88 9.340 -5.242 -1.224 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.495 -4.863 0.038 1.00 0.00 H new ATOM 0 HG2 LYS A 88 8.645 -4.134 1.546 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.472 -4.435 0.279 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.167 -6.858 0.224 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.316 -6.550 1.510 1.00 0.00 H new ATOM 0 HE2 LYS A 88 7.450 -5.805 3.010 1.00 0.00 H new ATOM 0 HE3 LYS A 88 6.295 -6.086 1.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 6.446 -7.974 3.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 6.905 -8.425 1.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 8.089 -8.172 2.880 1.00 0.00 H new ATOM 1306 N LEU A 89 11.290 -2.248 0.608 1.00 0.00 N ATOM 1307 CA LEU A 89 11.809 -1.424 1.742 1.00 0.00 C ATOM 1308 C LEU A 89 11.599 0.070 1.457 1.00 0.00 C ATOM 1309 O LEU A 89 11.101 0.806 2.288 1.00 0.00 O ATOM 1310 CB LEU A 89 13.310 -1.702 1.902 1.00 0.00 C ATOM 1311 CG LEU A 89 13.510 -3.004 2.682 1.00 0.00 C ATOM 1312 CD1 LEU A 89 12.862 -4.163 1.918 1.00 0.00 C ATOM 1313 CD2 LEU A 89 15.008 -3.276 2.849 1.00 0.00 C ATOM 0 H LEU A 89 11.995 -2.795 0.114 1.00 0.00 H new ATOM 0 HA LEU A 89 11.273 -1.685 2.654 1.00 0.00 H new ATOM 0 HB2 LEU A 89 13.783 -1.776 0.923 1.00 0.00 H new ATOM 0 HB3 LEU A 89 13.790 -0.875 2.426 1.00 0.00 H new ATOM 0 HG LEU A 89 13.046 -2.913 3.664 1.00 0.00 H new ATOM 0 HD11 LEU A 89 13.005 -5.090 2.474 1.00 0.00 H new ATOM 0 HD12 LEU A 89 11.796 -3.970 1.801 1.00 0.00 H new ATOM 0 HD13 LEU A 89 13.324 -4.254 0.935 1.00 0.00 H new ATOM 0 HD21 LEU A 89 15.150 -4.203 3.404 1.00 0.00 H new ATOM 0 HD22 LEU A 89 15.473 -3.366 1.867 1.00 0.00 H new ATOM 0 HD23 LEU A 89 15.469 -2.452 3.394 1.00 0.00 H new ATOM 1325 N ILE A 90 11.970 0.517 0.291 1.00 0.00 N ATOM 1326 CA ILE A 90 11.792 1.961 -0.049 1.00 0.00 C ATOM 1327 C ILE A 90 10.299 2.255 -0.204 1.00 0.00 C ATOM 1328 O ILE A 90 9.791 3.257 0.266 1.00 0.00 O ATOM 1329 CB ILE A 90 12.528 2.276 -1.363 1.00 0.00 C ATOM 1330 CG1 ILE A 90 14.028 2.447 -1.085 1.00 0.00 C ATOM 1331 CG2 ILE A 90 11.974 3.576 -1.977 1.00 0.00 C ATOM 1332 CD1 ILE A 90 14.547 1.255 -0.275 1.00 0.00 C ATOM 0 H ILE A 90 12.389 -0.053 -0.444 1.00 0.00 H new ATOM 0 HA ILE A 90 12.205 2.583 0.745 1.00 0.00 H new ATOM 0 HB ILE A 90 12.375 1.453 -2.061 1.00 0.00 H new ATOM 0 HG12 ILE A 90 14.574 2.525 -2.025 1.00 0.00 H new ATOM 0 HG13 ILE A 90 14.202 3.373 -0.538 1.00 0.00 H new ATOM 0 HG21 ILE A 90 12.500 3.792 -2.907 1.00 0.00 H new ATOM 0 HG22 ILE A 90 10.910 3.457 -2.181 1.00 0.00 H new ATOM 0 HG23 ILE A 90 12.120 4.399 -1.278 1.00 0.00 H new ATOM 0 HD11 ILE A 90 15.612 1.383 -0.081 1.00 0.00 H new ATOM 0 HD12 ILE A 90 14.010 1.197 0.672 1.00 0.00 H new ATOM 0 HD13 ILE A 90 14.389 0.336 -0.839 1.00 0.00 H new ATOM 1344 N PHE A 91 9.600 1.383 -0.872 1.00 0.00 N ATOM 1345 CA PHE A 91 8.142 1.591 -1.081 1.00 0.00 C ATOM 1346 C PHE A 91 7.448 1.681 0.277 1.00 0.00 C ATOM 1347 O PHE A 91 6.657 2.570 0.534 1.00 0.00 O ATOM 1348 CB PHE A 91 7.582 0.399 -1.861 1.00 0.00 C ATOM 1349 CG PHE A 91 6.087 0.540 -2.011 1.00 0.00 C ATOM 1350 CD1 PHE A 91 5.560 1.459 -2.924 1.00 0.00 C ATOM 1351 CD2 PHE A 91 5.226 -0.248 -1.235 1.00 0.00 C ATOM 1352 CE1 PHE A 91 4.175 1.587 -3.067 1.00 0.00 C ATOM 1353 CE2 PHE A 91 3.839 -0.119 -1.378 1.00 0.00 C ATOM 1354 CZ PHE A 91 3.314 0.803 -2.291 1.00 0.00 C ATOM 0 H PHE A 91 9.978 0.530 -1.285 1.00 0.00 H new ATOM 0 HA PHE A 91 7.971 2.512 -1.638 1.00 0.00 H new ATOM 0 HB2 PHE A 91 8.051 0.343 -2.843 1.00 0.00 H new ATOM 0 HB3 PHE A 91 7.818 -0.530 -1.342 1.00 0.00 H new ATOM 0 HD1 PHE A 91 6.223 2.070 -3.519 1.00 0.00 H new ATOM 0 HD2 PHE A 91 5.632 -0.955 -0.527 1.00 0.00 H new ATOM 0 HE1 PHE A 91 3.769 2.292 -3.777 1.00 0.00 H new ATOM 0 HE2 PHE A 91 3.175 -0.730 -0.785 1.00 0.00 H new ATOM 0 HZ PHE A 91 2.244 0.909 -2.397 1.00 0.00 H new ATOM 1364 N GLU A 92 7.755 0.762 1.149 1.00 0.00 N ATOM 1365 CA GLU A 92 7.137 0.767 2.505 1.00 0.00 C ATOM 1366 C GLU A 92 7.684 1.950 3.310 1.00 0.00 C ATOM 1367 O GLU A 92 7.009 2.514 4.151 1.00 0.00 O ATOM 1368 CB GLU A 92 7.470 -0.542 3.222 1.00 0.00 C ATOM 1369 CG GLU A 92 6.786 -0.565 4.591 1.00 0.00 C ATOM 1370 CD GLU A 92 7.045 -1.907 5.280 1.00 0.00 C ATOM 1371 OE1 GLU A 92 7.887 -2.647 4.803 1.00 0.00 O ATOM 1372 OE2 GLU A 92 6.391 -2.171 6.277 1.00 0.00 O ATOM 0 H GLU A 92 8.413 0.001 0.979 1.00 0.00 H new ATOM 0 HA GLU A 92 6.055 0.862 2.413 1.00 0.00 H new ATOM 0 HB2 GLU A 92 7.138 -1.391 2.624 1.00 0.00 H new ATOM 0 HB3 GLU A 92 8.549 -0.639 3.342 1.00 0.00 H new ATOM 0 HG2 GLU A 92 7.163 0.250 5.209 1.00 0.00 H new ATOM 0 HG3 GLU A 92 5.714 -0.407 4.474 1.00 0.00 H new ATOM 1379 N LEU A 93 8.912 2.323 3.062 1.00 0.00 N ATOM 1380 CA LEU A 93 9.516 3.460 3.816 1.00 0.00 C ATOM 1381 C LEU A 93 8.740 4.746 3.522 1.00 0.00 C ATOM 1382 O LEU A 93 8.424 5.518 4.408 1.00 0.00 O ATOM 1383 CB LEU A 93 10.972 3.647 3.367 1.00 0.00 C ATOM 1384 CG LEU A 93 11.620 4.811 4.134 1.00 0.00 C ATOM 1385 CD1 LEU A 93 11.626 4.501 5.637 1.00 0.00 C ATOM 1386 CD2 LEU A 93 13.058 5.010 3.643 1.00 0.00 C ATOM 0 H LEU A 93 9.523 1.889 2.370 1.00 0.00 H new ATOM 0 HA LEU A 93 9.476 3.244 4.884 1.00 0.00 H new ATOM 0 HB2 LEU A 93 11.534 2.730 3.541 1.00 0.00 H new ATOM 0 HB3 LEU A 93 11.007 3.844 2.296 1.00 0.00 H new ATOM 0 HG LEU A 93 11.048 5.722 3.958 1.00 0.00 H new ATOM 0 HD11 LEU A 93 12.086 5.328 6.177 1.00 0.00 H new ATOM 0 HD12 LEU A 93 10.602 4.365 5.985 1.00 0.00 H new ATOM 0 HD13 LEU A 93 12.194 3.589 5.818 1.00 0.00 H new ATOM 0 HD21 LEU A 93 13.517 5.835 4.187 1.00 0.00 H new ATOM 0 HD22 LEU A 93 13.631 4.099 3.815 1.00 0.00 H new ATOM 0 HD23 LEU A 93 13.050 5.238 2.577 1.00 0.00 H new ATOM 1398 N LYS A 94 8.447 4.980 2.274 1.00 0.00 N ATOM 1399 CA LYS A 94 7.705 6.214 1.887 1.00 0.00 C ATOM 1400 C LYS A 94 6.294 6.184 2.474 1.00 0.00 C ATOM 1401 O LYS A 94 5.789 7.176 2.964 1.00 0.00 O ATOM 1402 CB LYS A 94 7.613 6.287 0.365 1.00 0.00 C ATOM 1403 CG LYS A 94 9.003 6.545 -0.225 1.00 0.00 C ATOM 1404 CD LYS A 94 8.881 6.864 -1.720 1.00 0.00 C ATOM 1405 CE LYS A 94 8.441 5.617 -2.489 1.00 0.00 C ATOM 1406 NZ LYS A 94 8.672 5.828 -3.945 1.00 0.00 N ATOM 0 H LYS A 94 8.691 4.365 1.498 1.00 0.00 H new ATOM 0 HA LYS A 94 8.234 7.085 2.272 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.207 5.355 -0.029 1.00 0.00 H new ATOM 0 HB3 LYS A 94 6.929 7.083 0.070 1.00 0.00 H new ATOM 0 HG2 LYS A 94 9.481 7.375 0.296 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.638 5.671 -0.081 1.00 0.00 H new ATOM 0 HD2 LYS A 94 8.160 7.667 -1.871 1.00 0.00 H new ATOM 0 HD3 LYS A 94 9.838 7.219 -2.103 1.00 0.00 H new ATOM 0 HE2 LYS A 94 8.999 4.747 -2.143 1.00 0.00 H new ATOM 0 HE3 LYS A 94 7.386 5.414 -2.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 7.793 5.636 -4.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 8.966 6.812 -4.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 9.419 5.184 -4.275 1.00 0.00 H new ATOM 1420 N THR A 95 5.651 5.050 2.414 1.00 0.00 N ATOM 1421 CA THR A 95 4.263 4.944 2.952 1.00 0.00 C ATOM 1422 C THR A 95 4.272 5.110 4.473 1.00 0.00 C ATOM 1423 O THR A 95 3.396 5.728 5.049 1.00 0.00 O ATOM 1424 CB THR A 95 3.687 3.573 2.603 1.00 0.00 C ATOM 1425 OG1 THR A 95 4.592 2.561 3.021 1.00 0.00 O ATOM 1426 CG2 THR A 95 3.464 3.474 1.091 1.00 0.00 C ATOM 0 H THR A 95 6.027 4.190 2.015 1.00 0.00 H new ATOM 0 HA THR A 95 3.651 5.730 2.509 1.00 0.00 H new ATOM 0 HB THR A 95 2.733 3.441 3.113 1.00 0.00 H new ATOM 0 HG1 THR A 95 5.439 2.972 3.294 1.00 0.00 H new ATOM 0 HG21 THR A 95 3.053 2.494 0.847 1.00 0.00 H new ATOM 0 HG22 THR A 95 2.766 4.249 0.775 1.00 0.00 H new ATOM 0 HG23 THR A 95 4.414 3.608 0.574 1.00 0.00 H new ATOM 1434 N ARG A 96 5.262 4.570 5.127 1.00 0.00 N ATOM 1435 CA ARG A 96 5.332 4.693 6.613 1.00 0.00 C ATOM 1436 C ARG A 96 5.552 6.154 6.995 1.00 0.00 C ATOM 1437 O ARG A 96 4.992 6.651 7.954 1.00 0.00 O ATOM 1438 CB ARG A 96 6.498 3.855 7.139 1.00 0.00 C ATOM 1439 CG ARG A 96 6.172 2.357 7.013 1.00 0.00 C ATOM 1440 CD ARG A 96 5.313 1.907 8.201 1.00 0.00 C ATOM 1441 NE ARG A 96 5.098 0.436 8.134 1.00 0.00 N ATOM 1442 CZ ARG A 96 4.080 -0.057 7.481 1.00 0.00 C ATOM 1443 NH1 ARG A 96 3.242 0.731 6.862 1.00 0.00 N ATOM 1444 NH2 ARG A 96 3.903 -1.347 7.451 1.00 0.00 N ATOM 0 H ARG A 96 6.027 4.048 4.698 1.00 0.00 H new ATOM 0 HA ARG A 96 4.398 4.338 7.049 1.00 0.00 H new ATOM 0 HB2 ARG A 96 7.404 4.086 6.579 1.00 0.00 H new ATOM 0 HB3 ARG A 96 6.695 4.106 8.181 1.00 0.00 H new ATOM 0 HG2 ARG A 96 5.643 2.169 6.079 1.00 0.00 H new ATOM 0 HG3 ARG A 96 7.094 1.777 6.980 1.00 0.00 H new ATOM 0 HD2 ARG A 96 5.804 2.170 9.138 1.00 0.00 H new ATOM 0 HD3 ARG A 96 4.354 2.426 8.187 1.00 0.00 H new ATOM 0 HE ARG A 96 5.751 -0.192 8.602 1.00 0.00 H new ATOM 0 HH11 ARG A 96 3.380 1.741 6.886 1.00 0.00 H new ATOM 0 HH12 ARG A 96 2.450 0.336 6.355 1.00 0.00 H new ATOM 0 HH21 ARG A 96 4.556 -1.963 7.935 1.00 0.00 H new ATOM 0 HH22 ARG A 96 3.111 -1.741 6.944 1.00 0.00 H new ATOM 1458 N ALA A 97 6.361 6.842 6.244 1.00 0.00 N ATOM 1459 CA ALA A 97 6.631 8.275 6.547 1.00 0.00 C ATOM 1460 C ALA A 97 5.340 9.078 6.372 1.00 0.00 C ATOM 1461 O ALA A 97 5.017 9.946 7.160 1.00 0.00 O ATOM 1462 CB ALA A 97 7.689 8.800 5.578 1.00 0.00 C ATOM 0 H ALA A 97 6.850 6.473 5.429 1.00 0.00 H new ATOM 0 HA ALA A 97 6.989 8.376 7.572 1.00 0.00 H new ATOM 0 HB1 ALA A 97 7.892 9.849 5.794 1.00 0.00 H new ATOM 0 HB2 ALA A 97 8.606 8.222 5.693 1.00 0.00 H new ATOM 0 HB3 ALA A 97 7.325 8.704 4.555 1.00 0.00 H new