USER MOD reduce.3.24.130724 H: found=0, std=0, add=532, rem=0, adj=13 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 -85:sc= 1.14 USER MOD Single : A 39 SER OG : rot 180:sc= 0.421 USER MOD Single : A 41 LYS NZ :NH3+ -165:sc=-0.00612 (180deg=-0.266) USER MOD Single : A 43 HIS : no HD1:sc= -1.08 X(o=-1.1,f=-1.5) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= -0.21 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 146:sc= -2.3 (180deg=-4.4!) USER MOD Single : A 57 GLN : amide:sc= -0.0224 K(o=-0.022,f=-1.7!) USER MOD Single : A 59 TYR OH : rot 47:sc= 0.337 USER MOD Single : A 61 ASN : amide:sc=-0.00585 X(o=-0.0059,f=-0.41) USER MOD Single : A 64 TYR OH : rot 165:sc= -2.09! USER MOD Single : A 72 ASN : amide:sc= -0.0497 K(o=-0.05,f=-1.9!) USER MOD Single : A 74 THR OG1 : rot 8:sc=-0.00451 USER MOD Single : A 77 HIS : no HD1:sc= -2.15 K(o=-2.2,f=-7.3!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ -124:sc= -0.0701 (180deg=-0.656) USER MOD Single : A 94 LYS NZ :NH3+ 151:sc= -7.43! (180deg=-9.52!) USER MOD Single : A 95 THR OG1 : rot 69:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 402 N ASP A 30 8.435 -12.844 -6.920 1.00 0.00 N ATOM 403 CA ASP A 30 8.662 -11.910 -5.778 1.00 0.00 C ATOM 404 C ASP A 30 7.420 -11.049 -5.543 1.00 0.00 C ATOM 405 O ASP A 30 7.148 -10.111 -6.270 1.00 0.00 O ATOM 406 CB ASP A 30 9.864 -11.010 -6.077 1.00 0.00 C ATOM 407 CG ASP A 30 11.153 -11.829 -5.967 1.00 0.00 C ATOM 408 OD1 ASP A 30 11.089 -12.941 -5.469 1.00 0.00 O ATOM 409 OD2 ASP A 30 12.186 -11.329 -6.380 1.00 0.00 O ATOM 0 HA ASP A 30 8.861 -12.495 -4.880 1.00 0.00 H new ATOM 0 HB2 ASP A 30 9.774 -10.585 -7.077 1.00 0.00 H new ATOM 0 HB3 ASP A 30 9.890 -10.175 -5.377 1.00 0.00 H new ATOM 414 N VAL A 31 6.671 -11.362 -4.518 1.00 0.00 N ATOM 415 CA VAL A 31 5.438 -10.578 -4.192 1.00 0.00 C ATOM 416 C VAL A 31 5.495 -10.163 -2.722 1.00 0.00 C ATOM 417 O VAL A 31 5.902 -10.926 -1.871 1.00 0.00 O ATOM 418 CB VAL A 31 4.197 -11.440 -4.452 1.00 0.00 C ATOM 419 CG1 VAL A 31 4.072 -12.527 -3.377 1.00 0.00 C ATOM 420 CG2 VAL A 31 2.950 -10.552 -4.420 1.00 0.00 C ATOM 0 H VAL A 31 6.862 -12.137 -3.884 1.00 0.00 H new ATOM 0 HA VAL A 31 5.382 -9.688 -4.819 1.00 0.00 H new ATOM 0 HB VAL A 31 4.292 -11.915 -5.429 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.187 -13.132 -3.573 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.958 -13.162 -3.397 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.982 -12.060 -2.396 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.065 -11.161 -4.604 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.866 -10.077 -3.442 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.030 -9.785 -5.190 1.00 0.00 H new ATOM 430 N ALA A 32 5.097 -8.954 -2.425 1.00 0.00 N ATOM 431 CA ALA A 32 5.129 -8.460 -1.011 1.00 0.00 C ATOM 432 C ALA A 32 3.701 -8.203 -0.532 1.00 0.00 C ATOM 433 O ALA A 32 2.811 -7.942 -1.316 1.00 0.00 O ATOM 434 CB ALA A 32 5.926 -7.158 -0.955 1.00 0.00 C ATOM 0 H ALA A 32 4.748 -8.280 -3.106 1.00 0.00 H new ATOM 0 HA ALA A 32 5.598 -9.206 -0.370 1.00 0.00 H new ATOM 0 HB1 ALA A 32 5.954 -6.792 0.071 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.943 -7.339 -1.303 1.00 0.00 H new ATOM 0 HB3 ALA A 32 5.451 -6.413 -1.593 1.00 0.00 H new ATOM 440 N GLU A 33 3.480 -8.287 0.748 1.00 0.00 N ATOM 441 CA GLU A 33 2.112 -8.064 1.307 1.00 0.00 C ATOM 442 C GLU A 33 2.042 -6.673 1.937 1.00 0.00 C ATOM 443 O GLU A 33 3.004 -6.185 2.497 1.00 0.00 O ATOM 444 CB GLU A 33 1.831 -9.122 2.376 1.00 0.00 C ATOM 445 CG GLU A 33 1.809 -10.520 1.736 1.00 0.00 C ATOM 446 CD GLU A 33 3.241 -11.047 1.575 1.00 0.00 C ATOM 447 OE1 GLU A 33 4.165 -10.299 1.850 1.00 0.00 O ATOM 448 OE2 GLU A 33 3.388 -12.188 1.170 1.00 0.00 O ATOM 0 H GLU A 33 4.195 -8.503 1.442 1.00 0.00 H new ATOM 0 HA GLU A 33 1.371 -8.139 0.511 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.596 -9.080 3.152 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.875 -8.919 2.859 1.00 0.00 H new ATOM 0 HG2 GLU A 33 1.229 -11.204 2.356 1.00 0.00 H new ATOM 0 HG3 GLU A 33 1.318 -10.476 0.764 1.00 0.00 H new ATOM 455 N VAL A 34 0.907 -6.034 1.849 1.00 0.00 N ATOM 456 CA VAL A 34 0.741 -4.667 2.438 1.00 0.00 C ATOM 457 C VAL A 34 -0.468 -4.675 3.370 1.00 0.00 C ATOM 458 O VAL A 34 -1.521 -5.177 3.034 1.00 0.00 O ATOM 459 CB VAL A 34 0.518 -3.655 1.309 1.00 0.00 C ATOM 460 CG1 VAL A 34 0.053 -2.319 1.895 1.00 0.00 C ATOM 461 CG2 VAL A 34 1.836 -3.449 0.561 1.00 0.00 C ATOM 0 H VAL A 34 0.075 -6.403 1.389 1.00 0.00 H new ATOM 0 HA VAL A 34 1.633 -4.389 2.999 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.244 -4.031 0.626 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.104 -1.603 1.088 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.881 -2.465 2.438 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.813 -1.937 2.577 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.688 -2.730 -0.245 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.591 -3.071 1.251 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.170 -4.399 0.143 1.00 0.00 H new ATOM 471 N SER A 35 -0.320 -4.118 4.541 1.00 0.00 N ATOM 472 CA SER A 35 -1.450 -4.073 5.519 1.00 0.00 C ATOM 473 C SER A 35 -1.607 -2.640 6.027 1.00 0.00 C ATOM 474 O SER A 35 -0.649 -2.005 6.419 1.00 0.00 O ATOM 475 CB SER A 35 -1.136 -4.995 6.698 1.00 0.00 C ATOM 476 OG SER A 35 -2.178 -4.899 7.659 1.00 0.00 O ATOM 0 H SER A 35 0.545 -3.687 4.867 1.00 0.00 H new ATOM 0 HA SER A 35 -2.371 -4.400 5.037 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.037 -6.024 6.353 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.183 -4.717 7.149 1.00 0.00 H new ATOM 0 HG SER A 35 -2.008 -4.136 8.250 1.00 0.00 H new ATOM 482 N LEU A 36 -2.811 -2.127 6.025 1.00 0.00 N ATOM 483 CA LEU A 36 -3.052 -0.730 6.513 1.00 0.00 C ATOM 484 C LEU A 36 -4.136 -0.760 7.589 1.00 0.00 C ATOM 485 O LEU A 36 -5.180 -1.364 7.420 1.00 0.00 O ATOM 486 CB LEU A 36 -3.510 0.154 5.348 1.00 0.00 C ATOM 487 CG LEU A 36 -3.630 1.614 5.808 1.00 0.00 C ATOM 488 CD1 LEU A 36 -2.252 2.167 6.226 1.00 0.00 C ATOM 489 CD2 LEU A 36 -4.198 2.449 4.659 1.00 0.00 C ATOM 0 H LEU A 36 -3.646 -2.618 5.704 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.130 -0.323 6.928 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.799 0.081 4.525 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.471 -0.197 4.971 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.294 1.665 6.671 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.358 3.203 6.549 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.854 1.570 7.047 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.568 2.119 5.378 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.288 3.489 4.974 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.531 2.387 3.800 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.181 2.067 4.383 1.00 0.00 H new ATOM 501 N PHE A 37 -3.886 -0.117 8.697 1.00 0.00 N ATOM 502 CA PHE A 37 -4.877 -0.090 9.819 1.00 0.00 C ATOM 503 C PHE A 37 -5.357 1.344 10.034 1.00 0.00 C ATOM 504 O PHE A 37 -4.610 2.289 9.878 1.00 0.00 O ATOM 505 CB PHE A 37 -4.190 -0.587 11.091 1.00 0.00 C ATOM 506 CG PHE A 37 -3.883 -2.052 10.939 1.00 0.00 C ATOM 507 CD1 PHE A 37 -4.842 -3.004 11.298 1.00 0.00 C ATOM 508 CD2 PHE A 37 -2.643 -2.462 10.435 1.00 0.00 C ATOM 509 CE1 PHE A 37 -4.565 -4.366 11.153 1.00 0.00 C ATOM 510 CE2 PHE A 37 -2.365 -3.826 10.287 1.00 0.00 C ATOM 511 CZ PHE A 37 -3.326 -4.779 10.648 1.00 0.00 C ATOM 0 H PHE A 37 -3.025 0.399 8.878 1.00 0.00 H new ATOM 0 HA PHE A 37 -5.729 -0.727 9.580 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -3.272 -0.026 11.267 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -4.834 -0.425 11.955 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -5.798 -2.686 11.688 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.901 -1.726 10.161 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -5.307 -5.100 11.431 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.410 -4.143 9.895 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.111 -5.832 10.537 1.00 0.00 H new ATOM 521 N GLY A 38 -6.598 1.517 10.391 1.00 0.00 N ATOM 522 CA GLY A 38 -7.117 2.896 10.616 1.00 0.00 C ATOM 523 C GLY A 38 -8.542 2.824 11.165 1.00 0.00 C ATOM 524 O GLY A 38 -9.112 1.762 11.321 1.00 0.00 O ATOM 0 H GLY A 38 -7.274 0.767 10.537 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -6.473 3.428 11.316 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -7.104 3.457 9.682 1.00 0.00 H new ATOM 528 N SER A 39 -9.116 3.950 11.473 1.00 0.00 N ATOM 529 CA SER A 39 -10.497 3.964 12.029 1.00 0.00 C ATOM 530 C SER A 39 -11.491 3.364 11.030 1.00 0.00 C ATOM 531 O SER A 39 -11.643 2.163 10.931 1.00 0.00 O ATOM 532 CB SER A 39 -10.898 5.405 12.325 1.00 0.00 C ATOM 533 OG SER A 39 -10.695 6.187 11.156 1.00 0.00 O ATOM 0 H SER A 39 -8.686 4.868 11.363 1.00 0.00 H new ATOM 0 HA SER A 39 -10.514 3.367 12.941 1.00 0.00 H new ATOM 0 HB2 SER A 39 -11.943 5.450 12.632 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.305 5.800 13.150 1.00 0.00 H new ATOM 0 HG SER A 39 -10.952 7.116 11.335 1.00 0.00 H new ATOM 539 N ASP A 40 -12.185 4.202 10.305 1.00 0.00 N ATOM 540 CA ASP A 40 -13.198 3.704 9.327 1.00 0.00 C ATOM 541 C ASP A 40 -12.521 3.169 8.063 1.00 0.00 C ATOM 542 O ASP A 40 -11.432 3.573 7.701 1.00 0.00 O ATOM 543 CB ASP A 40 -14.132 4.852 8.948 1.00 0.00 C ATOM 544 CG ASP A 40 -15.271 4.316 8.083 1.00 0.00 C ATOM 545 OD1 ASP A 40 -15.456 3.111 8.064 1.00 0.00 O ATOM 546 OD2 ASP A 40 -15.939 5.119 7.454 1.00 0.00 O ATOM 0 H ASP A 40 -12.093 5.217 10.349 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.760 2.893 9.790 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -14.533 5.321 9.847 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -13.580 5.620 8.407 1.00 0.00 H new ATOM 551 N LYS A 41 -13.171 2.255 7.391 1.00 0.00 N ATOM 552 CA LYS A 41 -12.596 1.670 6.146 1.00 0.00 C ATOM 553 C LYS A 41 -12.482 2.749 5.065 1.00 0.00 C ATOM 554 O LYS A 41 -11.559 2.752 4.272 1.00 0.00 O ATOM 555 CB LYS A 41 -13.511 0.549 5.653 1.00 0.00 C ATOM 556 CG LYS A 41 -12.848 -0.198 4.495 1.00 0.00 C ATOM 557 CD LYS A 41 -13.723 -1.392 4.108 1.00 0.00 C ATOM 558 CE LYS A 41 -13.037 -2.191 2.999 1.00 0.00 C ATOM 559 NZ LYS A 41 -12.985 -1.370 1.755 1.00 0.00 N ATOM 0 H LYS A 41 -14.085 1.886 7.655 1.00 0.00 H new ATOM 0 HA LYS A 41 -11.603 1.273 6.357 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -13.724 -0.143 6.468 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -14.466 0.964 5.330 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -12.720 0.468 3.641 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -11.854 -0.538 4.786 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -13.893 -2.028 4.977 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -14.700 -1.046 3.770 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -12.029 -2.469 3.307 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -13.581 -3.117 2.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -12.759 -1.981 0.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -13.908 -0.916 1.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -12.252 -0.639 1.852 1.00 0.00 H new ATOM 573 N ALA A 42 -13.418 3.656 5.018 1.00 0.00 N ATOM 574 CA ALA A 42 -13.371 4.726 3.979 1.00 0.00 C ATOM 575 C ALA A 42 -12.039 5.469 4.072 1.00 0.00 C ATOM 576 O ALA A 42 -11.437 5.817 3.074 1.00 0.00 O ATOM 577 CB ALA A 42 -14.521 5.707 4.216 1.00 0.00 C ATOM 0 H ALA A 42 -14.214 3.704 5.654 1.00 0.00 H new ATOM 0 HA ALA A 42 -13.467 4.281 2.989 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -14.492 6.491 3.460 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -15.471 5.176 4.152 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -14.421 6.153 5.205 1.00 0.00 H new ATOM 583 N HIS A 43 -11.571 5.710 5.263 1.00 0.00 N ATOM 584 CA HIS A 43 -10.277 6.427 5.431 1.00 0.00 C ATOM 585 C HIS A 43 -9.156 5.588 4.817 1.00 0.00 C ATOM 586 O HIS A 43 -8.235 6.102 4.209 1.00 0.00 O ATOM 587 CB HIS A 43 -10.015 6.638 6.923 1.00 0.00 C ATOM 588 CG HIS A 43 -8.776 7.462 7.110 1.00 0.00 C ATOM 589 ND1 HIS A 43 -7.889 7.227 8.147 1.00 0.00 N ATOM 590 CD2 HIS A 43 -8.262 8.528 6.412 1.00 0.00 C ATOM 591 CE1 HIS A 43 -6.898 8.130 8.048 1.00 0.00 C ATOM 592 NE2 HIS A 43 -7.076 8.948 7.007 1.00 0.00 N ATOM 0 H HIS A 43 -12.031 5.440 6.132 1.00 0.00 H new ATOM 0 HA HIS A 43 -10.315 7.395 4.931 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -10.867 7.137 7.384 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -9.901 5.675 7.421 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -8.710 8.972 5.535 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -6.060 8.187 8.727 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -6.472 9.715 6.712 1.00 0.00 H new ATOM 600 N LEU A 44 -9.222 4.297 4.978 1.00 0.00 N ATOM 601 CA LEU A 44 -8.161 3.419 4.412 1.00 0.00 C ATOM 602 C LEU A 44 -8.132 3.577 2.895 1.00 0.00 C ATOM 603 O LEU A 44 -7.081 3.622 2.284 1.00 0.00 O ATOM 604 CB LEU A 44 -8.477 1.969 4.754 1.00 0.00 C ATOM 605 CG LEU A 44 -8.756 1.830 6.249 1.00 0.00 C ATOM 606 CD1 LEU A 44 -9.094 0.371 6.537 1.00 0.00 C ATOM 607 CD2 LEU A 44 -7.511 2.236 7.057 1.00 0.00 C ATOM 0 H LEU A 44 -9.966 3.811 5.478 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.194 3.697 4.830 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.342 1.633 4.182 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.640 1.330 4.472 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.585 2.478 6.534 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.297 0.248 7.601 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -9.974 0.081 5.963 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.252 -0.260 6.253 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.719 2.134 8.122 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.675 1.590 6.787 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.255 3.272 6.835 1.00 0.00 H new ATOM 619 N GLU A 45 -9.279 3.658 2.279 1.00 0.00 N ATOM 620 CA GLU A 45 -9.321 3.812 0.797 1.00 0.00 C ATOM 621 C GLU A 45 -8.656 5.132 0.407 1.00 0.00 C ATOM 622 O GLU A 45 -7.988 5.226 -0.606 1.00 0.00 O ATOM 623 CB GLU A 45 -10.778 3.818 0.328 1.00 0.00 C ATOM 624 CG GLU A 45 -11.391 2.432 0.537 1.00 0.00 C ATOM 625 CD GLU A 45 -12.872 2.471 0.157 1.00 0.00 C ATOM 626 OE1 GLU A 45 -13.331 3.530 -0.238 1.00 0.00 O ATOM 627 OE2 GLU A 45 -13.521 1.445 0.269 1.00 0.00 O ATOM 0 H GLU A 45 -10.189 3.624 2.738 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.791 2.983 0.328 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.346 4.565 0.883 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.830 4.095 -0.725 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.867 1.695 -0.071 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.279 2.125 1.577 1.00 0.00 H new ATOM 634 N GLY A 46 -8.828 6.154 1.202 1.00 0.00 N ATOM 635 CA GLY A 46 -8.203 7.467 0.868 1.00 0.00 C ATOM 636 C GLY A 46 -6.683 7.310 0.815 1.00 0.00 C ATOM 637 O GLY A 46 -6.025 7.845 -0.058 1.00 0.00 O ATOM 0 H GLY A 46 -9.372 6.137 2.065 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -8.576 7.826 -0.091 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -8.476 8.212 1.615 1.00 0.00 H new ATOM 641 N LYS A 47 -6.115 6.579 1.736 1.00 0.00 N ATOM 642 CA LYS A 47 -4.634 6.390 1.726 1.00 0.00 C ATOM 643 C LYS A 47 -4.252 5.366 0.654 1.00 0.00 C ATOM 644 O LYS A 47 -3.148 5.367 0.144 1.00 0.00 O ATOM 645 CB LYS A 47 -4.174 5.895 3.096 1.00 0.00 C ATOM 646 CG LYS A 47 -4.262 7.037 4.106 1.00 0.00 C ATOM 647 CD LYS A 47 -3.807 6.539 5.477 1.00 0.00 C ATOM 648 CE LYS A 47 -3.788 7.706 6.463 1.00 0.00 C ATOM 649 NZ LYS A 47 -3.339 7.219 7.799 1.00 0.00 N ATOM 0 H LYS A 47 -6.609 6.106 2.492 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.150 7.341 1.503 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.795 5.060 3.420 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.150 5.526 3.036 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.638 7.871 3.784 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.285 7.409 4.163 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.479 5.759 5.834 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.814 6.095 5.403 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.118 8.488 6.105 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.782 8.148 6.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.326 8.012 8.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.995 6.487 8.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.383 6.817 7.719 1.00 0.00 H new ATOM 663 N LEU A 48 -5.158 4.495 0.311 1.00 0.00 N ATOM 664 CA LEU A 48 -4.861 3.467 -0.726 1.00 0.00 C ATOM 665 C LEU A 48 -4.545 4.159 -2.053 1.00 0.00 C ATOM 666 O LEU A 48 -3.676 3.740 -2.794 1.00 0.00 O ATOM 667 CB LEU A 48 -6.085 2.557 -0.887 1.00 0.00 C ATOM 668 CG LEU A 48 -5.837 1.500 -1.975 1.00 0.00 C ATOM 669 CD1 LEU A 48 -4.606 0.647 -1.622 1.00 0.00 C ATOM 670 CD2 LEU A 48 -7.077 0.599 -2.086 1.00 0.00 C ATOM 0 H LEU A 48 -6.097 4.450 0.706 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.000 2.870 -0.425 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.306 2.066 0.061 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.958 3.156 -1.147 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.652 1.998 -2.927 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.443 -0.097 -2.402 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.729 1.289 -1.544 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.773 0.144 -0.670 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.911 -0.155 -2.856 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.257 0.108 -1.130 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.944 1.204 -2.351 1.00 0.00 H new ATOM 682 N ALA A 49 -5.255 5.208 -2.366 1.00 0.00 N ATOM 683 CA ALA A 49 -5.008 5.920 -3.653 1.00 0.00 C ATOM 684 C ALA A 49 -3.527 6.295 -3.767 1.00 0.00 C ATOM 685 O ALA A 49 -2.925 6.166 -4.818 1.00 0.00 O ATOM 686 CB ALA A 49 -5.855 7.195 -3.687 1.00 0.00 C ATOM 0 H ALA A 49 -5.996 5.603 -1.787 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.277 5.269 -4.485 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.681 7.723 -4.625 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.910 6.933 -3.608 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.578 7.838 -2.852 1.00 0.00 H new ATOM 692 N GLU A 50 -2.938 6.762 -2.705 1.00 0.00 N ATOM 693 CA GLU A 50 -1.497 7.153 -2.752 1.00 0.00 C ATOM 694 C GLU A 50 -0.625 5.905 -2.887 1.00 0.00 C ATOM 695 O GLU A 50 0.329 5.879 -3.635 1.00 0.00 O ATOM 696 CB GLU A 50 -1.124 7.891 -1.466 1.00 0.00 C ATOM 697 CG GLU A 50 -1.838 9.251 -1.402 1.00 0.00 C ATOM 698 CD GLU A 50 -3.274 9.072 -0.897 1.00 0.00 C ATOM 699 OE1 GLU A 50 -3.686 7.940 -0.716 1.00 0.00 O ATOM 700 OE2 GLU A 50 -3.938 10.077 -0.700 1.00 0.00 O ATOM 0 H GLU A 50 -3.391 6.892 -1.801 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.333 7.805 -3.610 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -1.398 7.288 -0.600 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -0.045 8.037 -1.423 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.294 9.925 -0.741 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -1.847 9.712 -2.390 1.00 0.00 H new ATOM 707 N TYR A 51 -0.942 4.869 -2.163 1.00 0.00 N ATOM 708 CA TYR A 51 -0.119 3.630 -2.238 1.00 0.00 C ATOM 709 C TYR A 51 0.050 3.239 -3.708 1.00 0.00 C ATOM 710 O TYR A 51 1.145 2.976 -4.170 1.00 0.00 O ATOM 711 CB TYR A 51 -0.846 2.506 -1.479 1.00 0.00 C ATOM 712 CG TYR A 51 -0.512 2.565 0.004 1.00 0.00 C ATOM 713 CD1 TYR A 51 -0.588 3.778 0.705 1.00 0.00 C ATOM 714 CD2 TYR A 51 -0.131 1.397 0.676 1.00 0.00 C ATOM 715 CE1 TYR A 51 -0.284 3.817 2.072 1.00 0.00 C ATOM 716 CE2 TYR A 51 0.172 1.437 2.041 1.00 0.00 C ATOM 717 CZ TYR A 51 0.095 2.646 2.739 1.00 0.00 C ATOM 718 OH TYR A 51 0.394 2.684 4.087 1.00 0.00 O ATOM 0 H TYR A 51 -1.735 4.826 -1.523 1.00 0.00 H new ATOM 0 HA TYR A 51 0.861 3.795 -1.791 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -1.923 2.601 -1.620 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -0.556 1.537 -1.885 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -0.881 4.681 0.191 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.071 0.462 0.139 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.342 4.751 2.611 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.465 0.534 2.556 1.00 0.00 H new ATOM 0 HH TYR A 51 0.637 1.785 4.394 1.00 0.00 H new ATOM 728 N ILE A 52 -1.022 3.202 -4.438 1.00 0.00 N ATOM 729 CA ILE A 52 -0.935 2.833 -5.876 1.00 0.00 C ATOM 730 C ILE A 52 -0.144 3.897 -6.645 1.00 0.00 C ATOM 731 O ILE A 52 0.677 3.588 -7.484 1.00 0.00 O ATOM 732 CB ILE A 52 -2.348 2.728 -6.450 1.00 0.00 C ATOM 733 CG1 ILE A 52 -3.068 1.543 -5.804 1.00 0.00 C ATOM 734 CG2 ILE A 52 -2.273 2.513 -7.964 1.00 0.00 C ATOM 735 CD1 ILE A 52 -4.564 1.626 -6.112 1.00 0.00 C ATOM 0 H ILE A 52 -1.962 3.412 -4.101 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.424 1.876 -5.974 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.894 3.648 -6.242 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.660 0.606 -6.182 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.907 1.550 -4.726 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.281 2.438 -8.371 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.756 3.354 -8.426 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.728 1.593 -8.174 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.078 0.782 -5.652 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.967 2.557 -5.713 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.715 1.598 -7.191 1.00 0.00 H new ATOM 747 N SER A 53 -0.402 5.150 -6.382 1.00 0.00 N ATOM 748 CA SER A 53 0.314 6.231 -7.122 1.00 0.00 C ATOM 749 C SER A 53 1.827 6.100 -6.931 1.00 0.00 C ATOM 750 O SER A 53 2.582 6.119 -7.884 1.00 0.00 O ATOM 751 CB SER A 53 -0.149 7.583 -6.577 1.00 0.00 C ATOM 752 OG SER A 53 0.526 8.626 -7.265 1.00 0.00 O ATOM 0 H SER A 53 -1.076 5.472 -5.688 1.00 0.00 H new ATOM 0 HA SER A 53 0.090 6.150 -8.186 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.227 7.688 -6.702 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.055 7.646 -5.508 1.00 0.00 H new ATOM 0 HG SER A 53 0.229 9.493 -6.918 1.00 0.00 H new ATOM 758 N LEU A 54 2.279 5.960 -5.717 1.00 0.00 N ATOM 759 CA LEU A 54 3.746 5.819 -5.488 1.00 0.00 C ATOM 760 C LEU A 54 4.232 4.520 -6.137 1.00 0.00 C ATOM 761 O LEU A 54 5.284 4.473 -6.746 1.00 0.00 O ATOM 762 CB LEU A 54 4.032 5.796 -3.976 1.00 0.00 C ATOM 763 CG LEU A 54 4.145 7.231 -3.431 1.00 0.00 C ATOM 764 CD1 LEU A 54 5.414 7.924 -3.980 1.00 0.00 C ATOM 765 CD2 LEU A 54 2.902 8.034 -3.833 1.00 0.00 C ATOM 0 H LEU A 54 1.701 5.937 -4.877 1.00 0.00 H new ATOM 0 HA LEU A 54 4.273 6.663 -5.933 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.235 5.264 -3.456 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.957 5.252 -3.782 1.00 0.00 H new ATOM 0 HG LEU A 54 4.216 7.187 -2.344 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.476 8.937 -3.583 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.296 7.361 -3.676 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.365 7.963 -5.068 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.984 9.050 -3.446 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.825 8.065 -4.920 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.012 7.559 -3.419 1.00 0.00 H new ATOM 777 N ALA A 55 3.474 3.468 -6.010 1.00 0.00 N ATOM 778 CA ALA A 55 3.885 2.169 -6.612 1.00 0.00 C ATOM 779 C ALA A 55 3.966 2.313 -8.133 1.00 0.00 C ATOM 780 O ALA A 55 4.819 1.733 -8.779 1.00 0.00 O ATOM 781 CB ALA A 55 2.855 1.098 -6.247 1.00 0.00 C ATOM 0 H ALA A 55 2.583 3.451 -5.513 1.00 0.00 H new ATOM 0 HA ALA A 55 4.863 1.878 -6.228 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.151 0.145 -6.685 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.802 0.998 -5.163 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.877 1.387 -6.633 1.00 0.00 H new ATOM 787 N LYS A 56 3.082 3.080 -8.709 1.00 0.00 N ATOM 788 CA LYS A 56 3.098 3.268 -10.189 1.00 0.00 C ATOM 789 C LYS A 56 4.408 3.924 -10.616 1.00 0.00 C ATOM 790 O LYS A 56 5.039 3.510 -11.571 1.00 0.00 O ATOM 791 CB LYS A 56 1.924 4.176 -10.578 1.00 0.00 C ATOM 792 CG LYS A 56 0.594 3.409 -10.444 1.00 0.00 C ATOM 793 CD LYS A 56 0.291 2.665 -11.744 1.00 0.00 C ATOM 794 CE LYS A 56 -1.028 1.904 -11.607 1.00 0.00 C ATOM 795 NZ LYS A 56 -0.878 0.831 -10.582 1.00 0.00 N ATOM 0 H LYS A 56 2.346 3.587 -8.217 1.00 0.00 H new ATOM 0 HA LYS A 56 3.009 2.301 -10.684 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.910 5.059 -9.939 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.049 4.526 -11.603 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.653 2.703 -9.616 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -0.215 4.103 -10.215 1.00 0.00 H new ATOM 0 HD2 LYS A 56 0.230 3.371 -12.572 1.00 0.00 H new ATOM 0 HD3 LYS A 56 1.100 1.972 -11.974 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -1.827 2.588 -11.319 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -1.311 1.469 -12.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -1.777 0.709 -10.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -0.620 -0.062 -11.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.132 1.097 -9.908 1.00 0.00 H new ATOM 809 N GLN A 57 4.824 4.944 -9.923 1.00 0.00 N ATOM 810 CA GLN A 57 6.095 5.627 -10.295 1.00 0.00 C ATOM 811 C GLN A 57 7.277 4.703 -10.008 1.00 0.00 C ATOM 812 O GLN A 57 8.206 4.601 -10.788 1.00 0.00 O ATOM 813 CB GLN A 57 6.235 6.911 -9.478 1.00 0.00 C ATOM 814 CG GLN A 57 7.526 7.626 -9.869 1.00 0.00 C ATOM 815 CD GLN A 57 7.577 8.991 -9.185 1.00 0.00 C ATOM 816 OE1 GLN A 57 6.567 9.499 -8.737 1.00 0.00 O ATOM 817 NE2 GLN A 57 8.719 9.612 -9.082 1.00 0.00 N ATOM 0 H GLN A 57 4.340 5.336 -9.115 1.00 0.00 H new ATOM 0 HA GLN A 57 6.081 5.871 -11.357 1.00 0.00 H new ATOM 0 HB2 GLN A 57 5.379 7.562 -9.654 1.00 0.00 H new ATOM 0 HB3 GLN A 57 6.244 6.678 -8.413 1.00 0.00 H new ATOM 0 HG2 GLN A 57 8.389 7.028 -9.576 1.00 0.00 H new ATOM 0 HG3 GLN A 57 7.574 7.747 -10.951 1.00 0.00 H new ATOM 0 HE21 GLN A 57 9.567 9.187 -9.458 1.00 0.00 H new ATOM 0 HE22 GLN A 57 8.765 10.523 -8.626 1.00 0.00 H new ATOM 826 N VAL A 58 7.249 4.024 -8.895 1.00 0.00 N ATOM 827 CA VAL A 58 8.367 3.103 -8.554 1.00 0.00 C ATOM 828 C VAL A 58 8.430 1.969 -9.581 1.00 0.00 C ATOM 829 O VAL A 58 9.489 1.618 -10.064 1.00 0.00 O ATOM 830 CB VAL A 58 8.132 2.520 -7.157 1.00 0.00 C ATOM 831 CG1 VAL A 58 9.155 1.416 -6.878 1.00 0.00 C ATOM 832 CG2 VAL A 58 8.287 3.630 -6.116 1.00 0.00 C ATOM 0 H VAL A 58 6.498 4.068 -8.206 1.00 0.00 H new ATOM 0 HA VAL A 58 9.309 3.651 -8.567 1.00 0.00 H new ATOM 0 HB VAL A 58 7.127 2.101 -7.104 1.00 0.00 H new ATOM 0 HG11 VAL A 58 8.984 1.004 -5.883 1.00 0.00 H new ATOM 0 HG12 VAL A 58 9.049 0.626 -7.621 1.00 0.00 H new ATOM 0 HG13 VAL A 58 10.162 1.831 -6.931 1.00 0.00 H new ATOM 0 HG21 VAL A 58 8.121 3.220 -5.120 1.00 0.00 H new ATOM 0 HG22 VAL A 58 9.293 4.045 -6.174 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.558 4.416 -6.311 1.00 0.00 H new ATOM 842 N TYR A 59 7.303 1.388 -9.908 1.00 0.00 N ATOM 843 CA TYR A 59 7.277 0.261 -10.897 1.00 0.00 C ATOM 844 C TYR A 59 6.267 0.574 -12.006 1.00 0.00 C ATOM 845 O TYR A 59 5.176 1.046 -11.755 1.00 0.00 O ATOM 846 CB TYR A 59 6.869 -1.025 -10.179 1.00 0.00 C ATOM 847 CG TYR A 59 7.003 -2.192 -11.125 1.00 0.00 C ATOM 848 CD1 TYR A 59 8.240 -2.828 -11.277 1.00 0.00 C ATOM 849 CD2 TYR A 59 5.894 -2.635 -11.853 1.00 0.00 C ATOM 850 CE1 TYR A 59 8.368 -3.909 -12.156 1.00 0.00 C ATOM 851 CE2 TYR A 59 6.022 -3.717 -12.732 1.00 0.00 C ATOM 852 CZ TYR A 59 7.259 -4.353 -12.884 1.00 0.00 C ATOM 853 OH TYR A 59 7.382 -5.418 -13.751 1.00 0.00 O ATOM 0 H TYR A 59 6.391 1.647 -9.530 1.00 0.00 H new ATOM 0 HA TYR A 59 8.266 0.137 -11.338 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.497 -1.180 -9.302 1.00 0.00 H new ATOM 0 HB3 TYR A 59 5.841 -0.946 -9.825 1.00 0.00 H new ATOM 0 HD1 TYR A 59 9.096 -2.484 -10.716 1.00 0.00 H new ATOM 0 HD2 TYR A 59 4.940 -2.143 -11.737 1.00 0.00 H new ATOM 0 HE1 TYR A 59 9.323 -4.400 -12.272 1.00 0.00 H new ATOM 0 HE2 TYR A 59 5.166 -4.061 -13.293 1.00 0.00 H new ATOM 0 HH TYR A 59 7.860 -6.149 -13.306 1.00 0.00 H new ATOM 863 N ALA A 60 6.640 0.324 -13.230 1.00 0.00 N ATOM 864 CA ALA A 60 5.734 0.609 -14.383 1.00 0.00 C ATOM 865 C ALA A 60 4.330 0.051 -14.125 1.00 0.00 C ATOM 866 O ALA A 60 3.546 0.625 -13.397 1.00 0.00 O ATOM 867 CB ALA A 60 6.315 -0.039 -15.640 1.00 0.00 C ATOM 0 H ALA A 60 7.545 -0.071 -13.486 1.00 0.00 H new ATOM 0 HA ALA A 60 5.656 1.688 -14.513 1.00 0.00 H new ATOM 0 HB1 ALA A 60 5.661 0.163 -16.489 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.304 0.373 -15.838 1.00 0.00 H new ATOM 0 HB3 ALA A 60 6.394 -1.116 -15.491 1.00 0.00 H new ATOM 873 N ASN A 61 4.003 -1.056 -14.734 1.00 0.00 N ATOM 874 CA ASN A 61 2.646 -1.646 -14.545 1.00 0.00 C ATOM 875 C ASN A 61 2.642 -2.521 -13.293 1.00 0.00 C ATOM 876 O ASN A 61 2.861 -3.713 -13.353 1.00 0.00 O ATOM 877 CB ASN A 61 2.293 -2.492 -15.771 1.00 0.00 C ATOM 878 CG ASN A 61 2.132 -1.573 -16.983 1.00 0.00 C ATOM 879 OD1 ASN A 61 1.446 -0.574 -16.914 1.00 0.00 O ATOM 880 ND2 ASN A 61 2.742 -1.867 -18.101 1.00 0.00 N ATOM 0 H ASN A 61 4.619 -1.579 -15.356 1.00 0.00 H new ATOM 0 HA ASN A 61 1.909 -0.851 -14.427 1.00 0.00 H new ATOM 0 HB2 ASN A 61 3.075 -3.228 -15.958 1.00 0.00 H new ATOM 0 HB3 ASN A 61 1.371 -3.045 -15.593 1.00 0.00 H new ATOM 0 HD21 ASN A 61 2.641 -1.258 -18.913 1.00 0.00 H new ATOM 0 HD22 ASN A 61 3.319 -2.706 -18.162 1.00 0.00 H new ATOM 887 N VAL A 62 2.392 -1.934 -12.156 1.00 0.00 N ATOM 888 CA VAL A 62 2.373 -2.724 -10.892 1.00 0.00 C ATOM 889 C VAL A 62 1.019 -3.419 -10.739 1.00 0.00 C ATOM 890 O VAL A 62 -0.020 -2.835 -10.976 1.00 0.00 O ATOM 891 CB VAL A 62 2.611 -1.783 -9.706 1.00 0.00 C ATOM 892 CG1 VAL A 62 1.457 -0.784 -9.602 1.00 0.00 C ATOM 893 CG2 VAL A 62 2.702 -2.596 -8.414 1.00 0.00 C ATOM 0 H VAL A 62 2.199 -0.938 -12.047 1.00 0.00 H new ATOM 0 HA VAL A 62 3.158 -3.479 -10.920 1.00 0.00 H new ATOM 0 HB VAL A 62 3.545 -1.242 -9.859 1.00 0.00 H new ATOM 0 HG11 VAL A 62 1.629 -0.116 -8.758 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.397 -0.200 -10.520 1.00 0.00 H new ATOM 0 HG13 VAL A 62 0.521 -1.323 -9.454 1.00 0.00 H new ATOM 0 HG21 VAL A 62 2.871 -1.924 -7.573 1.00 0.00 H new ATOM 0 HG22 VAL A 62 1.771 -3.142 -8.261 1.00 0.00 H new ATOM 0 HG23 VAL A 62 3.529 -3.303 -8.486 1.00 0.00 H new ATOM 903 N GLU A 63 1.025 -4.664 -10.339 1.00 0.00 N ATOM 904 CA GLU A 63 -0.258 -5.420 -10.159 1.00 0.00 C ATOM 905 C GLU A 63 -0.510 -5.621 -8.666 1.00 0.00 C ATOM 906 O GLU A 63 0.389 -5.935 -7.908 1.00 0.00 O ATOM 907 CB GLU A 63 -0.139 -6.783 -10.842 1.00 0.00 C ATOM 908 CG GLU A 63 -0.094 -6.583 -12.356 1.00 0.00 C ATOM 909 CD GLU A 63 0.108 -7.932 -13.047 1.00 0.00 C ATOM 910 OE1 GLU A 63 0.178 -8.930 -12.350 1.00 0.00 O ATOM 911 OE2 GLU A 63 0.187 -7.944 -14.265 1.00 0.00 O ATOM 0 H GLU A 63 1.869 -5.197 -10.127 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.084 -4.862 -10.601 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.762 -7.295 -10.504 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.985 -7.414 -10.571 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.020 -6.122 -12.700 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.717 -5.903 -12.619 1.00 0.00 H new ATOM 918 N TYR A 64 -1.726 -5.433 -8.232 1.00 0.00 N ATOM 919 CA TYR A 64 -2.039 -5.604 -6.785 1.00 0.00 C ATOM 920 C TYR A 64 -3.503 -6.005 -6.624 1.00 0.00 C ATOM 921 O TYR A 64 -4.301 -5.867 -7.529 1.00 0.00 O ATOM 922 CB TYR A 64 -1.784 -4.287 -6.048 1.00 0.00 C ATOM 923 CG TYR A 64 -2.604 -3.181 -6.672 1.00 0.00 C ATOM 924 CD1 TYR A 64 -2.071 -2.426 -7.722 1.00 0.00 C ATOM 925 CD2 TYR A 64 -3.892 -2.905 -6.197 1.00 0.00 C ATOM 926 CE1 TYR A 64 -2.823 -1.394 -8.296 1.00 0.00 C ATOM 927 CE2 TYR A 64 -4.646 -1.874 -6.772 1.00 0.00 C ATOM 928 CZ TYR A 64 -4.111 -1.119 -7.822 1.00 0.00 C ATOM 929 OH TYR A 64 -4.852 -0.101 -8.388 1.00 0.00 O ATOM 0 H TYR A 64 -2.518 -5.168 -8.818 1.00 0.00 H new ATOM 0 HA TYR A 64 -1.402 -6.383 -6.365 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -2.043 -4.394 -4.995 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -0.724 -4.035 -6.092 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -1.078 -2.639 -8.090 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.304 -3.488 -5.387 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -2.409 -0.810 -9.105 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -5.639 -1.662 -6.405 1.00 0.00 H new ATOM 0 HH TYR A 64 -5.790 -0.191 -8.119 1.00 0.00 H new ATOM 939 N GLU A 65 -3.860 -6.499 -5.473 1.00 0.00 N ATOM 940 CA GLU A 65 -5.278 -6.913 -5.231 1.00 0.00 C ATOM 941 C GLU A 65 -5.684 -6.475 -3.828 1.00 0.00 C ATOM 942 O GLU A 65 -4.856 -6.316 -2.955 1.00 0.00 O ATOM 943 CB GLU A 65 -5.393 -8.436 -5.343 1.00 0.00 C ATOM 944 CG GLU A 65 -5.131 -8.870 -6.788 1.00 0.00 C ATOM 945 CD GLU A 65 -6.226 -8.314 -7.702 1.00 0.00 C ATOM 946 OE1 GLU A 65 -7.278 -7.969 -7.189 1.00 0.00 O ATOM 947 OE2 GLU A 65 -5.992 -8.241 -8.897 1.00 0.00 O ATOM 0 H GLU A 65 -3.231 -6.636 -4.682 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.931 -6.449 -5.970 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -4.677 -8.914 -4.674 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.386 -8.759 -5.031 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.155 -8.511 -7.114 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.108 -9.958 -6.852 1.00 0.00 H new ATOM 954 N VAL A 66 -6.956 -6.271 -3.610 1.00 0.00 N ATOM 955 CA VAL A 66 -7.446 -5.833 -2.263 1.00 0.00 C ATOM 956 C VAL A 66 -8.529 -6.804 -1.784 1.00 0.00 C ATOM 957 O VAL A 66 -9.472 -7.098 -2.490 1.00 0.00 O ATOM 958 CB VAL A 66 -8.025 -4.411 -2.370 1.00 0.00 C ATOM 959 CG1 VAL A 66 -9.017 -4.325 -3.538 1.00 0.00 C ATOM 960 CG2 VAL A 66 -8.744 -4.047 -1.065 1.00 0.00 C ATOM 0 H VAL A 66 -7.686 -6.389 -4.312 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.622 -5.830 -1.549 1.00 0.00 H new ATOM 0 HB VAL A 66 -7.207 -3.713 -2.546 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -9.418 -3.313 -3.601 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -8.506 -4.571 -4.469 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -9.833 -5.029 -3.375 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -9.153 -3.040 -1.144 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -9.554 -4.754 -0.886 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -8.037 -4.088 -0.236 1.00 0.00 H new ATOM 970 N ALA A 67 -8.395 -7.304 -0.587 1.00 0.00 N ATOM 971 CA ALA A 67 -9.411 -8.259 -0.050 1.00 0.00 C ATOM 972 C ALA A 67 -10.540 -7.458 0.641 1.00 0.00 C ATOM 973 O ALA A 67 -10.281 -6.753 1.594 1.00 0.00 O ATOM 974 CB ALA A 67 -8.732 -9.176 0.975 1.00 0.00 C ATOM 0 H ALA A 67 -7.624 -7.093 0.046 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.831 -8.857 -0.858 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -9.463 -9.879 1.375 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.925 -9.727 0.492 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.324 -8.575 1.787 1.00 0.00 H new ATOM 980 N PRO A 68 -11.783 -7.559 0.189 1.00 0.00 N ATOM 981 CA PRO A 68 -12.918 -6.812 0.823 1.00 0.00 C ATOM 982 C PRO A 68 -12.938 -6.941 2.356 1.00 0.00 C ATOM 983 O PRO A 68 -12.732 -8.007 2.903 1.00 0.00 O ATOM 984 CB PRO A 68 -14.165 -7.483 0.224 1.00 0.00 C ATOM 985 CG PRO A 68 -13.728 -7.987 -1.113 1.00 0.00 C ATOM 986 CD PRO A 68 -12.246 -8.356 -0.971 1.00 0.00 C ATOM 0 HA PRO A 68 -12.848 -5.742 0.630 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -14.517 -8.297 0.857 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -14.988 -6.774 0.129 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -14.317 -8.853 -1.413 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -13.867 -7.225 -1.880 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -12.116 -9.424 -0.798 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -11.686 -8.109 -1.873 1.00 0.00 H new ATOM 994 N VAL A 69 -13.182 -5.848 3.046 1.00 0.00 N ATOM 995 CA VAL A 69 -13.219 -5.872 4.548 1.00 0.00 C ATOM 996 C VAL A 69 -14.463 -5.127 5.053 1.00 0.00 C ATOM 997 O VAL A 69 -15.077 -4.362 4.339 1.00 0.00 O ATOM 998 CB VAL A 69 -11.960 -5.203 5.115 1.00 0.00 C ATOM 999 CG1 VAL A 69 -11.785 -5.615 6.580 1.00 0.00 C ATOM 1000 CG2 VAL A 69 -10.726 -5.622 4.290 1.00 0.00 C ATOM 0 H VAL A 69 -13.358 -4.934 2.630 1.00 0.00 H new ATOM 0 HA VAL A 69 -13.258 -6.909 4.881 1.00 0.00 H new ATOM 0 HB VAL A 69 -12.064 -4.120 5.057 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -10.891 -5.142 6.987 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -12.656 -5.299 7.154 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -11.683 -6.698 6.644 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -9.836 -5.143 4.698 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -10.609 -6.705 4.335 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -10.860 -5.314 3.253 1.00 0.00 H new ATOM 1010 N ALA A 70 -14.835 -5.355 6.285 1.00 0.00 N ATOM 1011 CA ALA A 70 -16.039 -4.677 6.858 1.00 0.00 C ATOM 1012 C ALA A 70 -15.829 -3.155 6.876 1.00 0.00 C ATOM 1013 O ALA A 70 -14.734 -2.669 7.080 1.00 0.00 O ATOM 1014 CB ALA A 70 -16.267 -5.192 8.294 1.00 0.00 C ATOM 0 H ALA A 70 -14.354 -5.987 6.925 1.00 0.00 H new ATOM 0 HA ALA A 70 -16.911 -4.900 6.243 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -17.143 -4.704 8.721 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -16.427 -6.270 8.273 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -15.392 -4.967 8.904 1.00 0.00 H new ATOM 1020 N ASP A 71 -16.879 -2.406 6.671 1.00 0.00 N ATOM 1021 CA ASP A 71 -16.760 -0.920 6.684 1.00 0.00 C ATOM 1022 C ASP A 71 -16.490 -0.437 8.111 1.00 0.00 C ATOM 1023 O ASP A 71 -15.850 0.575 8.331 1.00 0.00 O ATOM 1024 CB ASP A 71 -18.064 -0.304 6.177 1.00 0.00 C ATOM 1025 CG ASP A 71 -18.195 -0.571 4.678 1.00 0.00 C ATOM 1026 OD1 ASP A 71 -17.235 -1.052 4.100 1.00 0.00 O ATOM 1027 OD2 ASP A 71 -19.251 -0.293 4.134 1.00 0.00 O ATOM 0 H ASP A 71 -17.818 -2.762 6.494 1.00 0.00 H new ATOM 0 HA ASP A 71 -15.936 -0.617 6.039 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -18.913 -0.731 6.710 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -18.073 0.769 6.370 1.00 0.00 H new ATOM 1032 N ASN A 72 -16.980 -1.160 9.080 1.00 0.00 N ATOM 1033 CA ASN A 72 -16.772 -0.769 10.504 1.00 0.00 C ATOM 1034 C ASN A 72 -15.552 -1.492 11.047 1.00 0.00 C ATOM 1035 O ASN A 72 -15.244 -1.415 12.222 1.00 0.00 O ATOM 1036 CB ASN A 72 -17.988 -1.189 11.325 1.00 0.00 C ATOM 1037 CG ASN A 72 -19.180 -0.314 10.952 1.00 0.00 C ATOM 1038 OD1 ASN A 72 -19.016 0.744 10.381 1.00 0.00 O ATOM 1039 ND2 ASN A 72 -20.385 -0.713 11.253 1.00 0.00 N ATOM 0 H ASN A 72 -17.521 -2.014 8.945 1.00 0.00 H new ATOM 0 HA ASN A 72 -16.631 0.310 10.567 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -18.221 -2.238 11.140 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -17.772 -1.094 12.389 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -21.189 -0.136 11.008 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -20.523 -1.602 11.733 1.00 0.00 H new ATOM 1046 N ALA A 73 -14.849 -2.194 10.204 1.00 0.00 N ATOM 1047 CA ALA A 73 -13.633 -2.922 10.668 1.00 0.00 C ATOM 1048 C ALA A 73 -12.441 -1.985 10.575 1.00 0.00 C ATOM 1049 O ALA A 73 -12.420 -1.066 9.784 1.00 0.00 O ATOM 1050 CB ALA A 73 -13.370 -4.133 9.780 1.00 0.00 C ATOM 0 H ALA A 73 -15.063 -2.296 9.212 1.00 0.00 H new ATOM 0 HA ALA A 73 -13.785 -3.256 11.694 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.479 -4.655 10.131 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -14.225 -4.807 9.821 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -13.217 -3.804 8.752 1.00 0.00 H new ATOM 1056 N THR A 74 -11.443 -2.231 11.359 1.00 0.00 N ATOM 1057 CA THR A 74 -10.245 -1.353 11.325 1.00 0.00 C ATOM 1058 C THR A 74 -9.337 -1.640 10.138 1.00 0.00 C ATOM 1059 O THR A 74 -8.196 -1.289 10.216 1.00 0.00 O ATOM 1060 CB THR A 74 -9.389 -1.646 12.576 1.00 0.00 C ATOM 1061 OG1 THR A 74 -8.044 -1.274 12.346 1.00 0.00 O ATOM 1062 CG2 THR A 74 -9.397 -3.142 12.860 1.00 0.00 C ATOM 0 H THR A 74 -11.400 -3.002 12.025 1.00 0.00 H new ATOM 0 HA THR A 74 -10.610 -0.327 11.269 1.00 0.00 H new ATOM 0 HB THR A 74 -9.805 -1.083 13.412 1.00 0.00 H new ATOM 0 HG1 THR A 74 -7.978 -0.796 11.493 1.00 0.00 H new ATOM 0 HG21 THR A 74 -8.792 -3.348 13.743 1.00 0.00 H new ATOM 0 HG22 THR A 74 -10.420 -3.474 13.035 1.00 0.00 H new ATOM 0 HG23 THR A 74 -8.984 -3.677 12.005 1.00 0.00 H new ATOM 1070 N GLU A 75 -9.704 -2.313 9.079 1.00 0.00 N ATOM 1071 CA GLU A 75 -8.565 -2.555 8.098 1.00 0.00 C ATOM 1072 C GLU A 75 -8.875 -2.874 6.635 1.00 0.00 C ATOM 1073 O GLU A 75 -9.964 -3.171 6.193 1.00 0.00 O ATOM 1074 CB GLU A 75 -7.681 -3.661 8.742 1.00 0.00 C ATOM 1075 CG GLU A 75 -7.579 -4.947 7.915 1.00 0.00 C ATOM 1076 CD GLU A 75 -6.865 -5.995 8.777 1.00 0.00 C ATOM 1077 OE1 GLU A 75 -7.343 -6.246 9.872 1.00 0.00 O ATOM 1078 OE2 GLU A 75 -5.856 -6.523 8.337 1.00 0.00 O ATOM 0 H GLU A 75 -10.629 -2.677 8.850 1.00 0.00 H new ATOM 0 HA GLU A 75 -8.079 -1.588 7.969 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.678 -3.263 8.899 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -8.084 -3.906 9.725 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -8.570 -5.298 7.628 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -7.025 -4.767 6.993 1.00 0.00 H new ATOM 1085 N LEU A 76 -7.794 -2.747 5.929 1.00 0.00 N ATOM 1086 CA LEU A 76 -7.687 -2.942 4.484 1.00 0.00 C ATOM 1087 C LEU A 76 -6.366 -3.690 4.283 1.00 0.00 C ATOM 1088 O LEU A 76 -5.359 -3.292 4.822 1.00 0.00 O ATOM 1089 CB LEU A 76 -7.561 -1.549 3.869 1.00 0.00 C ATOM 1090 CG LEU A 76 -7.621 -1.592 2.331 1.00 0.00 C ATOM 1091 CD1 LEU A 76 -7.935 -0.176 1.815 1.00 0.00 C ATOM 1092 CD2 LEU A 76 -6.265 -2.045 1.750 1.00 0.00 C ATOM 0 H LEU A 76 -6.903 -2.490 6.353 1.00 0.00 H new ATOM 0 HA LEU A 76 -8.528 -3.479 4.045 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -8.361 -0.912 4.246 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.620 -1.097 4.183 1.00 0.00 H new ATOM 0 HG LEU A 76 -8.391 -2.298 2.021 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -7.981 -0.188 0.726 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -8.894 0.153 2.216 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.152 0.511 2.138 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.325 -2.070 0.662 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.487 -1.345 2.054 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.024 -3.040 2.123 1.00 0.00 H new ATOM 1104 N HIS A 77 -6.335 -4.746 3.525 1.00 0.00 N ATOM 1105 CA HIS A 77 -5.038 -5.481 3.314 1.00 0.00 C ATOM 1106 C HIS A 77 -4.909 -5.759 1.821 1.00 0.00 C ATOM 1107 O HIS A 77 -5.863 -6.156 1.187 1.00 0.00 O ATOM 1108 CB HIS A 77 -5.053 -6.810 4.084 1.00 0.00 C ATOM 1109 CG HIS A 77 -3.703 -7.472 3.985 1.00 0.00 C ATOM 1110 ND1 HIS A 77 -2.574 -6.959 4.607 1.00 0.00 N ATOM 1111 CD2 HIS A 77 -3.288 -8.609 3.336 1.00 0.00 C ATOM 1112 CE1 HIS A 77 -1.544 -7.778 4.320 1.00 0.00 C ATOM 1113 NE2 HIS A 77 -1.924 -8.799 3.549 1.00 0.00 N ATOM 0 H HIS A 77 -7.142 -5.139 3.040 1.00 0.00 H new ATOM 0 HA HIS A 77 -4.200 -4.885 3.674 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -5.305 -6.632 5.129 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -5.821 -7.468 3.678 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -3.922 -9.257 2.750 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -0.534 -7.627 4.671 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -1.341 -9.556 3.192 1.00 0.00 H new ATOM 1121 N ALA A 78 -3.760 -5.535 1.245 1.00 0.00 N ATOM 1122 CA ALA A 78 -3.600 -5.774 -0.223 1.00 0.00 C ATOM 1123 C ALA A 78 -2.227 -6.380 -0.495 1.00 0.00 C ATOM 1124 O ALA A 78 -1.367 -6.399 0.361 1.00 0.00 O ATOM 1125 CB ALA A 78 -3.721 -4.441 -0.972 1.00 0.00 C ATOM 0 H ALA A 78 -2.925 -5.198 1.724 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.375 -6.460 -0.565 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -3.605 -4.613 -2.042 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -4.700 -4.003 -0.779 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.944 -3.758 -0.628 1.00 0.00 H new ATOM 1131 N ARG A 79 -2.021 -6.877 -1.686 1.00 0.00 N ATOM 1132 CA ARG A 79 -0.703 -7.490 -2.048 1.00 0.00 C ATOM 1133 C ARG A 79 -0.152 -6.771 -3.274 1.00 0.00 C ATOM 1134 O ARG A 79 -0.896 -6.294 -4.106 1.00 0.00 O ATOM 1135 CB ARG A 79 -0.904 -8.970 -2.378 1.00 0.00 C ATOM 1136 CG ARG A 79 -1.322 -9.720 -1.114 1.00 0.00 C ATOM 1137 CD ARG A 79 -1.587 -11.188 -1.454 1.00 0.00 C ATOM 1138 NE ARG A 79 -0.315 -11.825 -1.904 1.00 0.00 N ATOM 1139 CZ ARG A 79 -0.318 -13.059 -2.323 1.00 0.00 C ATOM 1140 NH1 ARG A 79 -1.430 -13.742 -2.345 1.00 0.00 N ATOM 1141 NH2 ARG A 79 0.796 -13.615 -2.719 1.00 0.00 N ATOM 0 H ARG A 79 -2.715 -6.886 -2.433 1.00 0.00 H new ATOM 0 HA ARG A 79 -0.007 -7.397 -1.214 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -1.666 -9.082 -3.149 1.00 0.00 H new ATOM 0 HB3 ARG A 79 0.018 -9.393 -2.777 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -0.539 -9.646 -0.359 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -2.218 -9.267 -0.689 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -1.981 -11.710 -0.582 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -2.342 -11.262 -2.237 1.00 0.00 H new ATOM 0 HE ARG A 79 0.556 -11.295 -1.884 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -2.300 -13.310 -2.034 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -1.429 -14.708 -2.674 1.00 0.00 H new ATOM 0 HH21 ARG A 79 1.666 -13.083 -2.700 1.00 0.00 H new ATOM 0 HH22 ARG A 79 0.795 -14.581 -3.047 1.00 0.00 H new ATOM 1155 N PHE A 80 1.147 -6.681 -3.383 1.00 0.00 N ATOM 1156 CA PHE A 80 1.775 -5.982 -4.552 1.00 0.00 C ATOM 1157 C PHE A 80 2.844 -6.883 -5.157 1.00 0.00 C ATOM 1158 O PHE A 80 3.457 -7.679 -4.474 1.00 0.00 O ATOM 1159 CB PHE A 80 2.422 -4.681 -4.073 1.00 0.00 C ATOM 1160 CG PHE A 80 1.343 -3.668 -3.782 1.00 0.00 C ATOM 1161 CD1 PHE A 80 0.661 -3.705 -2.563 1.00 0.00 C ATOM 1162 CD2 PHE A 80 1.017 -2.705 -4.742 1.00 0.00 C ATOM 1163 CE1 PHE A 80 -0.349 -2.770 -2.300 1.00 0.00 C ATOM 1164 CE2 PHE A 80 0.007 -1.772 -4.483 1.00 0.00 C ATOM 1165 CZ PHE A 80 -0.676 -1.805 -3.260 1.00 0.00 C ATOM 0 H PHE A 80 1.809 -7.064 -2.708 1.00 0.00 H new ATOM 0 HA PHE A 80 1.015 -5.759 -5.301 1.00 0.00 H new ATOM 0 HB2 PHE A 80 3.016 -4.864 -3.178 1.00 0.00 H new ATOM 0 HB3 PHE A 80 3.102 -4.297 -4.834 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.912 -4.453 -1.825 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.545 -2.681 -5.684 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -0.875 -2.794 -1.357 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -0.246 -1.028 -5.224 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.455 -1.085 -3.058 1.00 0.00 H new ATOM 1175 N LYS A 81 3.073 -6.766 -6.438 1.00 0.00 N ATOM 1176 CA LYS A 81 4.107 -7.616 -7.106 1.00 0.00 C ATOM 1177 C LYS A 81 5.327 -6.760 -7.438 1.00 0.00 C ATOM 1178 O LYS A 81 5.241 -5.801 -8.178 1.00 0.00 O ATOM 1179 CB LYS A 81 3.518 -8.191 -8.394 1.00 0.00 C ATOM 1180 CG LYS A 81 4.471 -9.241 -8.966 1.00 0.00 C ATOM 1181 CD LYS A 81 3.799 -9.959 -10.139 1.00 0.00 C ATOM 1182 CE LYS A 81 3.634 -8.998 -11.322 1.00 0.00 C ATOM 1183 NZ LYS A 81 3.371 -9.785 -12.557 1.00 0.00 N ATOM 0 H LYS A 81 2.587 -6.115 -7.055 1.00 0.00 H new ATOM 0 HA LYS A 81 4.407 -8.428 -6.444 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.545 -8.639 -8.193 1.00 0.00 H new ATOM 0 HB3 LYS A 81 3.359 -7.395 -9.121 1.00 0.00 H new ATOM 0 HG2 LYS A 81 5.394 -8.766 -9.298 1.00 0.00 H new ATOM 0 HG3 LYS A 81 4.742 -9.960 -8.193 1.00 0.00 H new ATOM 0 HD2 LYS A 81 4.398 -10.819 -10.440 1.00 0.00 H new ATOM 0 HD3 LYS A 81 2.825 -10.340 -9.832 1.00 0.00 H new ATOM 0 HE2 LYS A 81 2.811 -8.308 -11.134 1.00 0.00 H new ATOM 0 HE3 LYS A 81 4.534 -8.395 -11.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 3.258 -9.138 -13.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 4.170 -10.426 -12.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 2.501 -10.342 -12.435 1.00 0.00 H new ATOM 1197 N PHE A 82 6.465 -7.105 -6.892 1.00 0.00 N ATOM 1198 CA PHE A 82 7.719 -6.325 -7.158 1.00 0.00 C ATOM 1199 C PHE A 82 8.824 -7.281 -7.596 1.00 0.00 C ATOM 1200 O PHE A 82 8.822 -8.451 -7.263 1.00 0.00 O ATOM 1201 CB PHE A 82 8.148 -5.585 -5.891 1.00 0.00 C ATOM 1202 CG PHE A 82 7.209 -4.424 -5.653 1.00 0.00 C ATOM 1203 CD1 PHE A 82 7.215 -3.335 -6.533 1.00 0.00 C ATOM 1204 CD2 PHE A 82 6.330 -4.438 -4.563 1.00 0.00 C ATOM 1205 CE1 PHE A 82 6.344 -2.259 -6.324 1.00 0.00 C ATOM 1206 CE2 PHE A 82 5.458 -3.362 -4.355 1.00 0.00 C ATOM 1207 CZ PHE A 82 5.465 -2.274 -5.235 1.00 0.00 C ATOM 0 H PHE A 82 6.583 -7.902 -6.266 1.00 0.00 H new ATOM 0 HA PHE A 82 7.533 -5.597 -7.948 1.00 0.00 H new ATOM 0 HB2 PHE A 82 8.133 -6.262 -5.037 1.00 0.00 H new ATOM 0 HB3 PHE A 82 9.172 -5.225 -5.994 1.00 0.00 H new ATOM 0 HD1 PHE A 82 7.892 -3.325 -7.374 1.00 0.00 H new ATOM 0 HD2 PHE A 82 6.325 -5.278 -3.884 1.00 0.00 H new ATOM 0 HE1 PHE A 82 6.350 -1.419 -7.002 1.00 0.00 H new ATOM 0 HE2 PHE A 82 4.780 -3.372 -3.515 1.00 0.00 H new ATOM 0 HZ PHE A 82 4.792 -1.445 -5.074 1.00 0.00 H new ATOM 1217 N GLU A 83 9.760 -6.792 -8.353 1.00 0.00 N ATOM 1218 CA GLU A 83 10.860 -7.670 -8.835 1.00 0.00 C ATOM 1219 C GLU A 83 11.697 -8.154 -7.648 1.00 0.00 C ATOM 1220 O GLU A 83 12.091 -9.303 -7.589 1.00 0.00 O ATOM 1221 CB GLU A 83 11.759 -6.885 -9.795 1.00 0.00 C ATOM 1222 CG GLU A 83 10.904 -6.080 -10.769 1.00 0.00 C ATOM 1223 CD GLU A 83 9.978 -7.019 -11.546 1.00 0.00 C ATOM 1224 OE1 GLU A 83 10.478 -7.967 -12.126 1.00 0.00 O ATOM 1225 OE2 GLU A 83 8.783 -6.771 -11.548 1.00 0.00 O ATOM 0 H GLU A 83 9.813 -5.821 -8.660 1.00 0.00 H new ATOM 0 HA GLU A 83 10.430 -8.528 -9.351 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.410 -6.217 -9.232 1.00 0.00 H new ATOM 0 HB3 GLU A 83 12.404 -7.570 -10.345 1.00 0.00 H new ATOM 0 HG2 GLU A 83 10.315 -5.342 -10.225 1.00 0.00 H new ATOM 0 HG3 GLU A 83 11.543 -5.531 -11.460 1.00 0.00 H new ATOM 1232 N VAL A 84 11.985 -7.284 -6.708 1.00 0.00 N ATOM 1233 CA VAL A 84 12.818 -7.691 -5.528 1.00 0.00 C ATOM 1234 C VAL A 84 12.219 -7.131 -4.231 1.00 0.00 C ATOM 1235 O VAL A 84 11.442 -6.194 -4.238 1.00 0.00 O ATOM 1236 CB VAL A 84 14.247 -7.162 -5.716 1.00 0.00 C ATOM 1237 CG1 VAL A 84 14.699 -7.416 -7.157 1.00 0.00 C ATOM 1238 CG2 VAL A 84 14.300 -5.655 -5.437 1.00 0.00 C ATOM 0 H VAL A 84 11.680 -6.311 -6.706 1.00 0.00 H new ATOM 0 HA VAL A 84 12.834 -8.779 -5.458 1.00 0.00 H new ATOM 0 HB VAL A 84 14.906 -7.680 -5.018 1.00 0.00 H new ATOM 0 HG11 VAL A 84 15.713 -7.041 -7.292 1.00 0.00 H new ATOM 0 HG12 VAL A 84 14.678 -8.486 -7.362 1.00 0.00 H new ATOM 0 HG13 VAL A 84 14.028 -6.902 -7.845 1.00 0.00 H new ATOM 0 HG21 VAL A 84 15.320 -5.295 -5.575 1.00 0.00 H new ATOM 0 HG22 VAL A 84 13.635 -5.134 -6.126 1.00 0.00 H new ATOM 0 HG23 VAL A 84 13.983 -5.463 -4.412 1.00 0.00 H new ATOM 1248 N SER A 85 12.590 -7.702 -3.120 1.00 0.00 N ATOM 1249 CA SER A 85 12.073 -7.226 -1.805 1.00 0.00 C ATOM 1250 C SER A 85 12.536 -5.789 -1.542 1.00 0.00 C ATOM 1251 O SER A 85 11.787 -4.974 -1.035 1.00 0.00 O ATOM 1252 CB SER A 85 12.599 -8.142 -0.698 1.00 0.00 C ATOM 1253 OG SER A 85 12.401 -7.518 0.563 1.00 0.00 O ATOM 0 H SER A 85 13.238 -8.488 -3.065 1.00 0.00 H new ATOM 0 HA SER A 85 10.983 -7.248 -1.819 1.00 0.00 H new ATOM 0 HB2 SER A 85 12.081 -9.101 -0.727 1.00 0.00 H new ATOM 0 HB3 SER A 85 13.658 -8.347 -0.853 1.00 0.00 H new ATOM 0 HG SER A 85 12.736 -8.104 1.274 1.00 0.00 H new ATOM 1259 N ALA A 86 13.770 -5.482 -1.864 1.00 0.00 N ATOM 1260 CA ALA A 86 14.309 -4.104 -1.619 1.00 0.00 C ATOM 1261 C ALA A 86 13.248 -3.056 -1.969 1.00 0.00 C ATOM 1262 O ALA A 86 13.125 -2.040 -1.311 1.00 0.00 O ATOM 1263 CB ALA A 86 15.564 -3.885 -2.477 1.00 0.00 C ATOM 0 H ALA A 86 14.432 -6.131 -2.289 1.00 0.00 H new ATOM 0 HA ALA A 86 14.569 -4.002 -0.565 1.00 0.00 H new ATOM 0 HB1 ALA A 86 15.956 -2.884 -2.299 1.00 0.00 H new ATOM 0 HB2 ALA A 86 16.320 -4.623 -2.211 1.00 0.00 H new ATOM 0 HB3 ALA A 86 15.308 -3.992 -3.531 1.00 0.00 H new ATOM 1269 N GLU A 87 12.474 -3.302 -2.986 1.00 0.00 N ATOM 1270 CA GLU A 87 11.414 -2.327 -3.362 1.00 0.00 C ATOM 1271 C GLU A 87 10.377 -2.264 -2.247 1.00 0.00 C ATOM 1272 O GLU A 87 9.853 -1.214 -1.933 1.00 0.00 O ATOM 1273 CB GLU A 87 10.746 -2.781 -4.662 1.00 0.00 C ATOM 1274 CG GLU A 87 11.710 -2.576 -5.832 1.00 0.00 C ATOM 1275 CD GLU A 87 11.914 -1.079 -6.070 1.00 0.00 C ATOM 1276 OE1 GLU A 87 10.923 -0.377 -6.175 1.00 0.00 O ATOM 1277 OE2 GLU A 87 13.057 -0.660 -6.139 1.00 0.00 O ATOM 0 H GLU A 87 12.528 -4.134 -3.573 1.00 0.00 H new ATOM 0 HA GLU A 87 11.853 -1.340 -3.508 1.00 0.00 H new ATOM 0 HB2 GLU A 87 10.463 -3.831 -4.590 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.830 -2.215 -4.829 1.00 0.00 H new ATOM 0 HG2 GLU A 87 12.666 -3.054 -5.617 1.00 0.00 H new ATOM 0 HG3 GLU A 87 11.313 -3.047 -6.731 1.00 0.00 H new ATOM 1284 N LYS A 88 10.075 -3.378 -1.642 1.00 0.00 N ATOM 1285 CA LYS A 88 9.072 -3.375 -0.545 1.00 0.00 C ATOM 1286 C LYS A 88 9.593 -2.532 0.616 1.00 0.00 C ATOM 1287 O LYS A 88 8.880 -1.721 1.177 1.00 0.00 O ATOM 1288 CB LYS A 88 8.824 -4.816 -0.078 1.00 0.00 C ATOM 1289 CG LYS A 88 7.867 -4.840 1.126 1.00 0.00 C ATOM 1290 CD LYS A 88 6.527 -4.189 0.756 1.00 0.00 C ATOM 1291 CE LYS A 88 5.463 -4.578 1.785 1.00 0.00 C ATOM 1292 NZ LYS A 88 5.791 -3.950 3.096 1.00 0.00 N ATOM 0 H LYS A 88 10.479 -4.289 -1.860 1.00 0.00 H new ATOM 0 HA LYS A 88 8.135 -2.949 -0.903 1.00 0.00 H new ATOM 0 HB2 LYS A 88 8.403 -5.401 -0.895 1.00 0.00 H new ATOM 0 HB3 LYS A 88 9.770 -5.283 0.194 1.00 0.00 H new ATOM 0 HG2 LYS A 88 7.703 -5.868 1.448 1.00 0.00 H new ATOM 0 HG3 LYS A 88 8.316 -4.311 1.967 1.00 0.00 H new ATOM 0 HD2 LYS A 88 6.635 -3.105 0.723 1.00 0.00 H new ATOM 0 HD3 LYS A 88 6.219 -4.509 -0.239 1.00 0.00 H new ATOM 0 HE2 LYS A 88 4.479 -4.251 1.449 1.00 0.00 H new ATOM 0 HE3 LYS A 88 5.421 -5.662 1.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 5.858 -4.687 3.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 6.700 -3.450 3.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 5.044 -3.274 3.354 1.00 0.00 H new ATOM 1306 N LEU A 89 10.824 -2.726 0.993 1.00 0.00 N ATOM 1307 CA LEU A 89 11.382 -1.944 2.130 1.00 0.00 C ATOM 1308 C LEU A 89 11.361 -0.454 1.783 1.00 0.00 C ATOM 1309 O LEU A 89 10.942 0.372 2.570 1.00 0.00 O ATOM 1310 CB LEU A 89 12.827 -2.395 2.374 1.00 0.00 C ATOM 1311 CG LEU A 89 12.842 -3.694 3.183 1.00 0.00 C ATOM 1312 CD1 LEU A 89 12.154 -4.810 2.390 1.00 0.00 C ATOM 1313 CD2 LEU A 89 14.292 -4.093 3.460 1.00 0.00 C ATOM 0 H LEU A 89 11.468 -3.391 0.564 1.00 0.00 H new ATOM 0 HA LEU A 89 10.785 -2.110 3.027 1.00 0.00 H new ATOM 0 HB2 LEU A 89 13.335 -2.545 1.422 1.00 0.00 H new ATOM 0 HB3 LEU A 89 13.374 -1.618 2.909 1.00 0.00 H new ATOM 0 HG LEU A 89 12.311 -3.541 4.122 1.00 0.00 H new ATOM 0 HD11 LEU A 89 12.168 -5.732 2.972 1.00 0.00 H new ATOM 0 HD12 LEU A 89 11.122 -4.527 2.184 1.00 0.00 H new ATOM 0 HD13 LEU A 89 12.682 -4.966 1.449 1.00 0.00 H new ATOM 0 HD21 LEU A 89 14.311 -5.018 4.036 1.00 0.00 H new ATOM 0 HD22 LEU A 89 14.815 -4.243 2.515 1.00 0.00 H new ATOM 0 HD23 LEU A 89 14.785 -3.303 4.026 1.00 0.00 H new ATOM 1325 N ILE A 90 11.809 -0.103 0.609 1.00 0.00 N ATOM 1326 CA ILE A 90 11.811 1.332 0.210 1.00 0.00 C ATOM 1327 C ILE A 90 10.371 1.820 0.035 1.00 0.00 C ATOM 1328 O ILE A 90 10.008 2.894 0.477 1.00 0.00 O ATOM 1329 CB ILE A 90 12.579 1.483 -1.106 1.00 0.00 C ATOM 1330 CG1 ILE A 90 14.057 1.165 -0.865 1.00 0.00 C ATOM 1331 CG2 ILE A 90 12.441 2.916 -1.623 1.00 0.00 C ATOM 1332 CD1 ILE A 90 14.782 1.056 -2.208 1.00 0.00 C ATOM 0 H ILE A 90 12.174 -0.749 -0.091 1.00 0.00 H new ATOM 0 HA ILE A 90 12.294 1.930 0.983 1.00 0.00 H new ATOM 0 HB ILE A 90 12.171 0.795 -1.847 1.00 0.00 H new ATOM 0 HG12 ILE A 90 14.513 1.945 -0.256 1.00 0.00 H new ATOM 0 HG13 ILE A 90 14.153 0.231 -0.311 1.00 0.00 H new ATOM 0 HG21 ILE A 90 12.989 3.019 -2.560 1.00 0.00 H new ATOM 0 HG22 ILE A 90 11.388 3.142 -1.792 1.00 0.00 H new ATOM 0 HG23 ILE A 90 12.847 3.609 -0.887 1.00 0.00 H new ATOM 0 HD11 ILE A 90 15.834 0.830 -2.036 1.00 0.00 H new ATOM 0 HD12 ILE A 90 14.332 0.260 -2.801 1.00 0.00 H new ATOM 0 HD13 ILE A 90 14.697 2.001 -2.745 1.00 0.00 H new ATOM 1344 N PHE A 91 9.549 1.037 -0.610 1.00 0.00 N ATOM 1345 CA PHE A 91 8.132 1.448 -0.825 1.00 0.00 C ATOM 1346 C PHE A 91 7.442 1.624 0.523 1.00 0.00 C ATOM 1347 O PHE A 91 6.756 2.599 0.757 1.00 0.00 O ATOM 1348 CB PHE A 91 7.408 0.372 -1.635 1.00 0.00 C ATOM 1349 CG PHE A 91 5.965 0.776 -1.829 1.00 0.00 C ATOM 1350 CD1 PHE A 91 5.640 1.789 -2.739 1.00 0.00 C ATOM 1351 CD2 PHE A 91 4.953 0.137 -1.101 1.00 0.00 C ATOM 1352 CE1 PHE A 91 4.302 2.165 -2.920 1.00 0.00 C ATOM 1353 CE2 PHE A 91 3.618 0.512 -1.281 1.00 0.00 C ATOM 1354 CZ PHE A 91 3.292 1.526 -2.192 1.00 0.00 C ATOM 0 H PHE A 91 9.799 0.128 -0.998 1.00 0.00 H new ATOM 0 HA PHE A 91 8.105 2.392 -1.370 1.00 0.00 H new ATOM 0 HB2 PHE A 91 7.894 0.241 -2.602 1.00 0.00 H new ATOM 0 HB3 PHE A 91 7.463 -0.586 -1.118 1.00 0.00 H new ATOM 0 HD1 PHE A 91 6.420 2.281 -3.301 1.00 0.00 H new ATOM 0 HD2 PHE A 91 5.204 -0.646 -0.400 1.00 0.00 H new ATOM 0 HE1 PHE A 91 4.051 2.947 -3.621 1.00 0.00 H new ATOM 0 HE2 PHE A 91 2.838 0.020 -0.718 1.00 0.00 H new ATOM 0 HZ PHE A 91 2.261 1.814 -2.332 1.00 0.00 H new ATOM 1364 N GLU A 92 7.613 0.688 1.413 1.00 0.00 N ATOM 1365 CA GLU A 92 6.964 0.807 2.746 1.00 0.00 C ATOM 1366 C GLU A 92 7.573 1.990 3.496 1.00 0.00 C ATOM 1367 O GLU A 92 6.886 2.733 4.171 1.00 0.00 O ATOM 1368 CB GLU A 92 7.195 -0.478 3.541 1.00 0.00 C ATOM 1369 CG GLU A 92 6.447 -0.398 4.873 1.00 0.00 C ATOM 1370 CD GLU A 92 6.651 -1.702 5.644 1.00 0.00 C ATOM 1371 OE1 GLU A 92 7.505 -2.477 5.243 1.00 0.00 O ATOM 1372 OE2 GLU A 92 5.950 -1.906 6.621 1.00 0.00 O ATOM 0 H GLU A 92 8.173 -0.153 1.275 1.00 0.00 H new ATOM 0 HA GLU A 92 5.893 0.966 2.621 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.849 -1.339 2.969 1.00 0.00 H new ATOM 0 HB3 GLU A 92 8.261 -0.621 3.719 1.00 0.00 H new ATOM 0 HG2 GLU A 92 6.812 0.446 5.459 1.00 0.00 H new ATOM 0 HG3 GLU A 92 5.385 -0.228 4.697 1.00 0.00 H new ATOM 1379 N LEU A 93 8.862 2.165 3.390 1.00 0.00 N ATOM 1380 CA LEU A 93 9.520 3.295 4.101 1.00 0.00 C ATOM 1381 C LEU A 93 8.976 4.619 3.561 1.00 0.00 C ATOM 1382 O LEU A 93 8.590 5.499 4.306 1.00 0.00 O ATOM 1383 CB LEU A 93 11.031 3.230 3.843 1.00 0.00 C ATOM 1384 CG LEU A 93 11.774 4.225 4.758 1.00 0.00 C ATOM 1385 CD1 LEU A 93 12.063 3.570 6.113 1.00 0.00 C ATOM 1386 CD2 LEU A 93 13.101 4.628 4.111 1.00 0.00 C ATOM 0 H LEU A 93 9.487 1.574 2.842 1.00 0.00 H new ATOM 0 HA LEU A 93 9.320 3.227 5.170 1.00 0.00 H new ATOM 0 HB2 LEU A 93 11.394 2.218 4.024 1.00 0.00 H new ATOM 0 HB3 LEU A 93 11.239 3.461 2.798 1.00 0.00 H new ATOM 0 HG LEU A 93 11.149 5.106 4.902 1.00 0.00 H new ATOM 0 HD11 LEU A 93 12.588 4.278 6.755 1.00 0.00 H new ATOM 0 HD12 LEU A 93 11.124 3.280 6.585 1.00 0.00 H new ATOM 0 HD13 LEU A 93 12.683 2.686 5.965 1.00 0.00 H new ATOM 0 HD21 LEU A 93 13.623 5.331 4.760 1.00 0.00 H new ATOM 0 HD22 LEU A 93 13.718 3.742 3.965 1.00 0.00 H new ATOM 0 HD23 LEU A 93 12.908 5.099 3.147 1.00 0.00 H new ATOM 1398 N LYS A 94 8.941 4.760 2.265 1.00 0.00 N ATOM 1399 CA LYS A 94 8.420 6.017 1.655 1.00 0.00 C ATOM 1400 C LYS A 94 6.910 6.107 1.864 1.00 0.00 C ATOM 1401 O LYS A 94 6.380 7.137 2.232 1.00 0.00 O ATOM 1402 CB LYS A 94 8.740 6.014 0.160 1.00 0.00 C ATOM 1403 CG LYS A 94 8.276 7.329 -0.466 1.00 0.00 C ATOM 1404 CD LYS A 94 8.780 7.418 -1.909 1.00 0.00 C ATOM 1405 CE LYS A 94 8.276 6.218 -2.716 1.00 0.00 C ATOM 1406 NZ LYS A 94 6.866 5.909 -2.337 1.00 0.00 N ATOM 0 H LYS A 94 9.253 4.054 1.598 1.00 0.00 H new ATOM 0 HA LYS A 94 8.891 6.878 2.128 1.00 0.00 H new ATOM 0 HB2 LYS A 94 9.812 5.885 0.007 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.245 5.173 -0.326 1.00 0.00 H new ATOM 0 HG2 LYS A 94 7.188 7.389 -0.446 1.00 0.00 H new ATOM 0 HG3 LYS A 94 8.652 8.172 0.114 1.00 0.00 H new ATOM 0 HD2 LYS A 94 8.435 8.345 -2.367 1.00 0.00 H new ATOM 0 HD3 LYS A 94 9.870 7.443 -1.921 1.00 0.00 H new ATOM 0 HE2 LYS A 94 8.336 6.434 -3.783 1.00 0.00 H new ATOM 0 HE3 LYS A 94 8.910 5.351 -2.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 6.375 5.481 -3.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 6.859 5.244 -1.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 6.380 6.786 -2.062 1.00 0.00 H new ATOM 1420 N THR A 95 6.217 5.032 1.626 1.00 0.00 N ATOM 1421 CA THR A 95 4.739 5.035 1.801 1.00 0.00 C ATOM 1422 C THR A 95 4.401 5.322 3.264 1.00 0.00 C ATOM 1423 O THR A 95 3.522 6.106 3.567 1.00 0.00 O ATOM 1424 CB THR A 95 4.187 3.669 1.398 1.00 0.00 C ATOM 1425 OG1 THR A 95 4.469 3.436 0.025 1.00 0.00 O ATOM 1426 CG2 THR A 95 2.679 3.643 1.624 1.00 0.00 C ATOM 0 H THR A 95 6.613 4.145 1.316 1.00 0.00 H new ATOM 0 HA THR A 95 4.292 5.807 1.174 1.00 0.00 H new ATOM 0 HB THR A 95 4.655 2.892 2.002 1.00 0.00 H new ATOM 0 HG1 THR A 95 5.433 3.305 -0.093 1.00 0.00 H new ATOM 0 HG21 THR A 95 2.285 2.668 1.336 1.00 0.00 H new ATOM 0 HG22 THR A 95 2.466 3.824 2.677 1.00 0.00 H new ATOM 0 HG23 THR A 95 2.207 4.418 1.020 1.00 0.00 H new ATOM 1434 N ARG A 96 5.095 4.695 4.173 1.00 0.00 N ATOM 1435 CA ARG A 96 4.820 4.932 5.617 1.00 0.00 C ATOM 1436 C ARG A 96 4.991 6.416 5.922 1.00 0.00 C ATOM 1437 O ARG A 96 4.203 7.012 6.632 1.00 0.00 O ATOM 1438 CB ARG A 96 5.796 4.112 6.464 1.00 0.00 C ATOM 1439 CG ARG A 96 5.477 4.307 7.947 1.00 0.00 C ATOM 1440 CD ARG A 96 6.369 3.388 8.783 1.00 0.00 C ATOM 1441 NE ARG A 96 7.804 3.762 8.580 1.00 0.00 N ATOM 1442 CZ ARG A 96 8.358 4.687 9.316 1.00 0.00 C ATOM 1443 NH1 ARG A 96 7.660 5.313 10.226 1.00 0.00 N ATOM 1444 NH2 ARG A 96 9.615 4.993 9.139 1.00 0.00 N ATOM 0 H ARG A 96 5.842 4.028 3.977 1.00 0.00 H new ATOM 0 HA ARG A 96 3.800 4.628 5.853 1.00 0.00 H new ATOM 0 HB2 ARG A 96 5.723 3.057 6.202 1.00 0.00 H new ATOM 0 HB3 ARG A 96 6.821 4.421 6.258 1.00 0.00 H new ATOM 0 HG2 ARG A 96 5.639 5.347 8.232 1.00 0.00 H new ATOM 0 HG3 ARG A 96 4.427 4.084 8.137 1.00 0.00 H new ATOM 0 HD2 ARG A 96 6.107 3.471 9.838 1.00 0.00 H new ATOM 0 HD3 ARG A 96 6.209 2.349 8.495 1.00 0.00 H new ATOM 0 HE ARG A 96 8.353 3.291 7.861 1.00 0.00 H new ATOM 0 HH11 ARG A 96 6.677 5.080 10.364 1.00 0.00 H new ATOM 0 HH12 ARG A 96 8.098 6.035 10.798 1.00 0.00 H new ATOM 0 HH21 ARG A 96 10.162 4.510 8.427 1.00 0.00 H new ATOM 0 HH22 ARG A 96 10.050 5.715 9.713 1.00 0.00 H new ATOM 1458 N ALA A 97 6.012 7.020 5.387 1.00 0.00 N ATOM 1459 CA ALA A 97 6.232 8.467 5.640 1.00 0.00 C ATOM 1460 C ALA A 97 4.983 9.238 5.216 1.00 0.00 C ATOM 1461 O ALA A 97 4.491 10.088 5.933 1.00 0.00 O ATOM 1462 CB ALA A 97 7.432 8.941 4.817 1.00 0.00 C ATOM 0 H ALA A 97 6.704 6.573 4.785 1.00 0.00 H new ATOM 0 HA ALA A 97 6.427 8.639 6.699 1.00 0.00 H new ATOM 0 HB1 ALA A 97 7.600 10.003 4.997 1.00 0.00 H new ATOM 0 HB2 ALA A 97 8.319 8.378 5.109 1.00 0.00 H new ATOM 0 HB3 ALA A 97 7.233 8.780 3.757 1.00 0.00 H new