USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 497 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 34 THR OG1 : rot 167:sc= -4.39! USER MOD Set 1.2: A 80 HIS : no HD1:sc= -13.8! C(o=-18!,f=-27!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -167:sc= -2! (180deg=-2.3!) USER MOD Single : A 38 ASN : amide:sc= -4.62! C(o=-4.6!,f=-9.7!) USER MOD Single : A 39 MET CE :methyl -179:sc= -3.09! (180deg=-3.15!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= -9.96! C(o=-10!,f=-13!) USER MOD Single : A 51 THR OG1 : rot 180:sc= -2.02! USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 CYS SG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.377 K(o=-0.38,f=-5!) USER MOD Single : A 65 THR OG1 : rot 123:sc= 0.761 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.0527 K(o=-0.053,f=-0.77) USER MOD Single : A 79 SER OG : rot 12:sc= 0.533 USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 353 N LEU A 21 -1.181 -0.318 -7.040 1.00 0.00 N ATOM 354 CA LEU A 21 -1.053 0.380 -5.728 1.00 0.00 C ATOM 355 C LEU A 21 -0.254 1.675 -5.891 1.00 0.00 C ATOM 356 O LEU A 21 0.876 1.667 -6.341 1.00 0.00 O ATOM 357 CB LEU A 21 -0.305 -0.604 -4.826 1.00 0.00 C ATOM 358 CG LEU A 21 -0.188 -0.021 -3.414 1.00 0.00 C ATOM 359 CD1 LEU A 21 0.872 1.082 -3.403 1.00 0.00 C ATOM 360 CD2 LEU A 21 -1.536 0.565 -2.990 1.00 0.00 C ATOM 0 HA LEU A 21 -2.022 0.657 -5.313 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.833 -1.557 -4.794 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.687 -0.803 -5.232 1.00 0.00 H new ATOM 0 HG LEU A 21 0.101 -0.810 -2.719 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.955 1.497 -2.398 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.833 0.666 -3.704 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.584 1.870 -4.098 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.453 0.980 -1.985 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.825 1.353 -3.685 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.292 -0.220 -2.997 1.00 0.00 H new ATOM 372 N ILE A 22 -0.830 2.788 -5.526 1.00 0.00 N ATOM 373 CA ILE A 22 -0.101 4.083 -5.657 1.00 0.00 C ATOM 374 C ILE A 22 0.463 4.504 -4.297 1.00 0.00 C ATOM 375 O ILE A 22 -0.266 4.685 -3.342 1.00 0.00 O ATOM 376 CB ILE A 22 -1.151 5.083 -6.139 1.00 0.00 C ATOM 377 CG1 ILE A 22 -1.424 4.855 -7.627 1.00 0.00 C ATOM 378 CG2 ILE A 22 -0.635 6.508 -5.929 1.00 0.00 C ATOM 379 CD1 ILE A 22 -2.906 5.100 -7.920 1.00 0.00 C ATOM 0 H ILE A 22 -1.773 2.857 -5.143 1.00 0.00 H new ATOM 0 HA ILE A 22 0.741 4.019 -6.346 1.00 0.00 H new ATOM 0 HB ILE A 22 -2.072 4.944 -5.573 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -0.809 5.525 -8.227 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -1.151 3.837 -7.905 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -1.384 7.221 -6.273 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.438 6.671 -4.869 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.286 6.649 -6.495 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.099 4.937 -8.980 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.512 4.412 -7.331 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -3.164 6.126 -7.658 1.00 0.00 H new ATOM 391 N ALA A 23 1.755 4.656 -4.201 1.00 0.00 N ATOM 392 CA ALA A 23 2.361 5.060 -2.900 1.00 0.00 C ATOM 393 C ALA A 23 2.948 6.470 -2.997 1.00 0.00 C ATOM 394 O ALA A 23 3.558 6.833 -3.984 1.00 0.00 O ATOM 395 CB ALA A 23 3.468 4.036 -2.646 1.00 0.00 C ATOM 0 H ALA A 23 2.417 4.518 -4.965 1.00 0.00 H new ATOM 0 HA ALA A 23 1.627 5.080 -2.094 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.965 4.264 -1.703 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.035 3.037 -2.596 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.194 4.076 -3.458 1.00 0.00 H new ATOM 401 N LYS A 24 2.772 7.266 -1.979 1.00 0.00 N ATOM 402 CA LYS A 24 3.323 8.651 -2.007 1.00 0.00 C ATOM 403 C LYS A 24 4.383 8.813 -0.914 1.00 0.00 C ATOM 404 O LYS A 24 4.143 8.529 0.243 1.00 0.00 O ATOM 405 CB LYS A 24 2.124 9.560 -1.732 1.00 0.00 C ATOM 406 CG LYS A 24 1.304 9.724 -3.013 1.00 0.00 C ATOM 407 CD LYS A 24 2.108 10.532 -4.035 1.00 0.00 C ATOM 408 CE LYS A 24 2.233 9.731 -5.334 1.00 0.00 C ATOM 409 NZ LYS A 24 1.089 10.181 -6.174 1.00 0.00 N ATOM 0 H LYS A 24 2.269 7.017 -1.127 1.00 0.00 H new ATOM 0 HA LYS A 24 3.803 8.889 -2.956 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.504 9.134 -0.943 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.465 10.533 -1.379 1.00 0.00 H new ATOM 0 HG2 LYS A 24 1.052 8.746 -3.424 1.00 0.00 H new ATOM 0 HG3 LYS A 24 0.364 10.229 -2.793 1.00 0.00 H new ATOM 0 HD2 LYS A 24 1.616 11.485 -4.229 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.098 10.759 -3.638 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.185 9.925 -5.827 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.185 8.659 -5.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 1.106 9.676 -7.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.196 9.978 -5.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.165 11.204 -6.345 1.00 0.00 H new ATOM 423 N VAL A 25 5.555 9.261 -1.271 1.00 0.00 N ATOM 424 CA VAL A 25 6.629 9.430 -0.249 1.00 0.00 C ATOM 425 C VAL A 25 6.629 10.864 0.294 1.00 0.00 C ATOM 426 O VAL A 25 6.771 11.819 -0.444 1.00 0.00 O ATOM 427 CB VAL A 25 7.929 9.137 -0.997 1.00 0.00 C ATOM 428 CG1 VAL A 25 9.119 9.609 -0.161 1.00 0.00 C ATOM 429 CG2 VAL A 25 8.045 7.632 -1.242 1.00 0.00 C ATOM 0 H VAL A 25 5.816 9.517 -2.223 1.00 0.00 H new ATOM 0 HA VAL A 25 6.492 8.771 0.609 1.00 0.00 H new ATOM 0 HB VAL A 25 7.925 9.664 -1.951 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.045 9.399 -0.696 1.00 0.00 H new ATOM 0 HG12 VAL A 25 9.037 10.681 0.016 1.00 0.00 H new ATOM 0 HG13 VAL A 25 9.124 9.083 0.794 1.00 0.00 H new ATOM 0 HG21 VAL A 25 8.972 7.421 -1.776 1.00 0.00 H new ATOM 0 HG22 VAL A 25 8.048 7.107 -0.287 1.00 0.00 H new ATOM 0 HG23 VAL A 25 7.198 7.294 -1.839 1.00 0.00 H new ATOM 439 N GLU A 26 6.473 11.018 1.581 1.00 0.00 N ATOM 440 CA GLU A 26 6.467 12.386 2.178 1.00 0.00 C ATOM 441 C GLU A 26 7.198 12.378 3.524 1.00 0.00 C ATOM 442 O GLU A 26 7.515 11.336 4.060 1.00 0.00 O ATOM 443 CB GLU A 26 4.988 12.723 2.377 1.00 0.00 C ATOM 444 CG GLU A 26 4.803 14.241 2.354 1.00 0.00 C ATOM 445 CD GLU A 26 3.851 14.622 1.220 1.00 0.00 C ATOM 446 OE1 GLU A 26 2.924 13.868 0.973 1.00 0.00 O ATOM 447 OE2 GLU A 26 4.065 15.662 0.618 1.00 0.00 O ATOM 0 H GLU A 26 6.349 10.255 2.246 1.00 0.00 H new ATOM 0 HA GLU A 26 6.972 13.116 1.545 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.390 12.261 1.591 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.636 12.317 3.326 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.404 14.584 3.309 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.766 14.733 2.216 1.00 0.00 H new ATOM 511 N ILE A 32 10.665 11.042 3.485 1.00 0.00 N ATOM 512 CA ILE A 32 11.023 9.596 3.420 1.00 0.00 C ATOM 513 C ILE A 32 9.906 8.739 4.028 1.00 0.00 C ATOM 514 O ILE A 32 10.086 7.569 4.304 1.00 0.00 O ATOM 515 CB ILE A 32 12.319 9.470 4.227 1.00 0.00 C ATOM 516 CG1 ILE A 32 13.506 9.594 3.276 1.00 0.00 C ATOM 517 CG2 ILE A 32 12.376 8.102 4.911 1.00 0.00 C ATOM 518 CD1 ILE A 32 13.470 8.424 2.294 1.00 0.00 C ATOM 0 HA ILE A 32 11.153 9.248 2.395 1.00 0.00 H new ATOM 0 HB ILE A 32 12.352 10.255 4.983 1.00 0.00 H new ATOM 0 HG12 ILE A 32 13.462 10.541 2.738 1.00 0.00 H new ATOM 0 HG13 ILE A 32 14.441 9.589 3.836 1.00 0.00 H new ATOM 0 HG21 ILE A 32 13.300 8.019 5.483 1.00 0.00 H new ATOM 0 HG22 ILE A 32 11.523 7.995 5.582 1.00 0.00 H new ATOM 0 HG23 ILE A 32 12.345 7.316 4.156 1.00 0.00 H new ATOM 0 HD11 ILE A 32 14.313 8.499 1.607 1.00 0.00 H new ATOM 0 HD12 ILE A 32 13.533 7.485 2.844 1.00 0.00 H new ATOM 0 HD13 ILE A 32 12.538 8.452 1.729 1.00 0.00 H new ATOM 530 N LYS A 33 8.752 9.302 4.230 1.00 0.00 N ATOM 531 CA LYS A 33 7.638 8.501 4.808 1.00 0.00 C ATOM 532 C LYS A 33 6.726 8.007 3.682 1.00 0.00 C ATOM 533 O LYS A 33 6.643 8.613 2.633 1.00 0.00 O ATOM 534 CB LYS A 33 6.897 9.460 5.752 1.00 0.00 C ATOM 535 CG LYS A 33 5.531 9.830 5.166 1.00 0.00 C ATOM 536 CD LYS A 33 4.735 10.636 6.195 1.00 0.00 C ATOM 537 CE LYS A 33 4.655 12.099 5.750 1.00 0.00 C ATOM 538 NZ LYS A 33 3.330 12.226 5.083 1.00 0.00 N ATOM 0 H LYS A 33 8.530 10.276 4.022 1.00 0.00 H new ATOM 0 HA LYS A 33 7.985 7.618 5.344 1.00 0.00 H new ATOM 0 HB2 LYS A 33 6.767 8.993 6.728 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.491 10.361 5.906 1.00 0.00 H new ATOM 0 HG2 LYS A 33 5.661 10.412 4.254 1.00 0.00 H new ATOM 0 HG3 LYS A 33 4.984 8.928 4.893 1.00 0.00 H new ATOM 0 HD2 LYS A 33 3.732 10.222 6.300 1.00 0.00 H new ATOM 0 HD3 LYS A 33 5.212 10.568 7.173 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.735 12.775 6.601 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.467 12.349 5.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.289 13.125 4.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.197 11.435 4.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.577 12.207 5.800 1.00 0.00 H new ATOM 552 N THR A 34 6.052 6.907 3.879 1.00 0.00 N ATOM 553 CA THR A 34 5.164 6.391 2.793 1.00 0.00 C ATOM 554 C THR A 34 3.693 6.530 3.187 1.00 0.00 C ATOM 555 O THR A 34 3.234 5.911 4.122 1.00 0.00 O ATOM 556 CB THR A 34 5.540 4.917 2.642 1.00 0.00 C ATOM 557 OG1 THR A 34 6.843 4.820 2.083 1.00 0.00 O ATOM 558 CG2 THR A 34 4.535 4.224 1.724 1.00 0.00 C ATOM 0 H THR A 34 6.075 6.348 4.732 1.00 0.00 H new ATOM 0 HA THR A 34 5.292 6.945 1.863 1.00 0.00 H new ATOM 0 HB THR A 34 5.526 4.434 3.619 1.00 0.00 H new ATOM 0 HG1 THR A 34 7.169 3.900 2.172 1.00 0.00 H new ATOM 0 HG21 THR A 34 4.804 3.173 1.617 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.536 4.301 2.154 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.546 4.703 0.745 1.00 0.00 H new ATOM 566 N VAL A 35 2.947 7.331 2.476 1.00 0.00 N ATOM 567 CA VAL A 35 1.504 7.495 2.818 1.00 0.00 C ATOM 568 C VAL A 35 0.624 6.854 1.742 1.00 0.00 C ATOM 569 O VAL A 35 0.626 7.262 0.598 1.00 0.00 O ATOM 570 CB VAL A 35 1.276 9.006 2.867 1.00 0.00 C ATOM 571 CG1 VAL A 35 1.888 9.657 1.626 1.00 0.00 C ATOM 572 CG2 VAL A 35 -0.227 9.293 2.904 1.00 0.00 C ATOM 0 H VAL A 35 3.271 7.876 1.677 1.00 0.00 H new ATOM 0 HA VAL A 35 1.249 7.013 3.762 1.00 0.00 H new ATOM 0 HB VAL A 35 1.748 9.415 3.760 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.725 10.734 1.662 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.958 9.453 1.598 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.418 9.249 0.731 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.391 10.370 2.939 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.698 8.883 2.010 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.664 8.831 3.789 1.00 0.00 H new ATOM 582 N ILE A 36 -0.134 5.855 2.106 1.00 0.00 N ATOM 583 CA ILE A 36 -1.022 5.189 1.110 1.00 0.00 C ATOM 584 C ILE A 36 -2.439 5.764 1.208 1.00 0.00 C ATOM 585 O ILE A 36 -3.059 5.730 2.252 1.00 0.00 O ATOM 586 CB ILE A 36 -0.997 3.708 1.488 1.00 0.00 C ATOM 587 CG1 ILE A 36 0.453 3.278 1.737 1.00 0.00 C ATOM 588 CG2 ILE A 36 -1.584 2.881 0.342 1.00 0.00 C ATOM 589 CD1 ILE A 36 0.481 1.863 2.321 1.00 0.00 C ATOM 0 H ILE A 36 -0.177 5.471 3.050 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.693 5.343 0.082 1.00 0.00 H new ATOM 0 HB ILE A 36 -1.588 3.548 2.390 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.016 3.308 0.804 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.936 3.974 2.423 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.567 1.825 0.610 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.612 3.192 0.158 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.991 3.036 -0.560 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.514 1.562 2.496 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.066 1.847 3.264 1.00 0.00 H new ATOM 0 HD13 ILE A 36 0.015 1.171 1.620 1.00 0.00 H new ATOM 601 N VAL A 37 -2.953 6.298 0.134 1.00 0.00 N ATOM 602 CA VAL A 37 -4.326 6.881 0.178 1.00 0.00 C ATOM 603 C VAL A 37 -5.347 5.910 -0.422 1.00 0.00 C ATOM 604 O VAL A 37 -6.540 6.129 -0.349 1.00 0.00 O ATOM 605 CB VAL A 37 -4.241 8.154 -0.664 1.00 0.00 C ATOM 606 CG1 VAL A 37 -3.167 9.077 -0.087 1.00 0.00 C ATOM 607 CG2 VAL A 37 -3.877 7.786 -2.104 1.00 0.00 C ATOM 0 H VAL A 37 -2.484 6.356 -0.770 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.650 7.083 1.199 1.00 0.00 H new ATOM 0 HB VAL A 37 -5.204 8.665 -0.650 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.106 9.985 -0.687 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.424 9.338 0.940 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.203 8.568 -0.101 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.816 8.692 -2.707 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.914 7.276 -2.117 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.642 7.127 -2.516 1.00 0.00 H new ATOM 617 N ASN A 38 -4.894 4.842 -1.018 1.00 0.00 N ATOM 618 CA ASN A 38 -5.849 3.868 -1.622 1.00 0.00 C ATOM 619 C ASN A 38 -5.748 2.510 -0.921 1.00 0.00 C ATOM 620 O ASN A 38 -6.345 1.540 -1.340 1.00 0.00 O ATOM 621 CB ASN A 38 -5.424 3.753 -3.086 1.00 0.00 C ATOM 622 CG ASN A 38 -4.171 2.881 -3.189 1.00 0.00 C ATOM 623 OD1 ASN A 38 -3.312 2.925 -2.330 1.00 0.00 O ATOM 624 ND2 ASN A 38 -4.028 2.084 -4.212 1.00 0.00 N ATOM 0 H ASN A 38 -3.907 4.601 -1.113 1.00 0.00 H new ATOM 0 HA ASN A 38 -6.885 4.193 -1.522 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.231 3.319 -3.677 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -5.225 4.743 -3.496 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -3.196 1.499 -4.290 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -4.748 2.046 -4.933 1.00 0.00 H new ATOM 631 N MET A 39 -4.994 2.432 0.141 1.00 0.00 N ATOM 632 CA MET A 39 -4.858 1.134 0.863 1.00 0.00 C ATOM 633 C MET A 39 -6.206 0.705 1.446 1.00 0.00 C ATOM 634 O MET A 39 -6.606 -0.437 1.337 1.00 0.00 O ATOM 635 CB MET A 39 -3.855 1.407 1.984 1.00 0.00 C ATOM 636 CG MET A 39 -2.570 0.620 1.723 1.00 0.00 C ATOM 637 SD MET A 39 -2.561 -0.876 2.742 1.00 0.00 S ATOM 638 CE MET A 39 -0.889 -0.686 3.407 1.00 0.00 C ATOM 0 H MET A 39 -4.467 3.209 0.540 1.00 0.00 H new ATOM 0 HA MET A 39 -4.528 0.331 0.204 1.00 0.00 H new ATOM 0 HB2 MET A 39 -3.636 2.473 2.038 1.00 0.00 H new ATOM 0 HB3 MET A 39 -4.281 1.120 2.945 1.00 0.00 H new ATOM 0 HG2 MET A 39 -2.501 0.355 0.668 1.00 0.00 H new ATOM 0 HG3 MET A 39 -1.701 1.236 1.954 1.00 0.00 H new ATOM 0 HE1 MET A 39 -0.660 -1.527 4.062 1.00 0.00 H new ATOM 0 HE2 MET A 39 -0.172 -0.660 2.587 1.00 0.00 H new ATOM 0 HE3 MET A 39 -0.826 0.243 3.973 1.00 0.00 H new ATOM 648 N VAL A 40 -6.909 1.613 2.067 1.00 0.00 N ATOM 649 CA VAL A 40 -8.231 1.256 2.661 1.00 0.00 C ATOM 650 C VAL A 40 -9.261 0.997 1.558 1.00 0.00 C ATOM 651 O VAL A 40 -10.041 0.069 1.631 1.00 0.00 O ATOM 652 CB VAL A 40 -8.632 2.473 3.494 1.00 0.00 C ATOM 653 CG1 VAL A 40 -9.815 2.110 4.391 1.00 0.00 C ATOM 654 CG2 VAL A 40 -7.448 2.907 4.362 1.00 0.00 C ATOM 0 H VAL A 40 -6.626 2.585 2.189 1.00 0.00 H new ATOM 0 HA VAL A 40 -8.179 0.348 3.262 1.00 0.00 H new ATOM 0 HB VAL A 40 -8.917 3.290 2.831 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -10.101 2.978 4.985 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -10.658 1.799 3.774 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -9.531 1.294 5.055 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -7.732 3.775 4.957 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -7.164 2.090 5.025 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -6.604 3.166 3.723 1.00 0.00 H new ATOM 664 N ASP A 41 -9.273 1.812 0.539 1.00 0.00 N ATOM 665 CA ASP A 41 -10.258 1.613 -0.563 1.00 0.00 C ATOM 666 C ASP A 41 -10.029 0.262 -1.246 1.00 0.00 C ATOM 667 O ASP A 41 -10.947 -0.508 -1.445 1.00 0.00 O ATOM 668 CB ASP A 41 -9.992 2.759 -1.540 1.00 0.00 C ATOM 669 CG ASP A 41 -11.321 3.391 -1.960 1.00 0.00 C ATOM 670 OD1 ASP A 41 -12.029 2.774 -2.737 1.00 0.00 O ATOM 671 OD2 ASP A 41 -11.607 4.483 -1.496 1.00 0.00 O ATOM 0 H ASP A 41 -8.644 2.606 0.421 1.00 0.00 H new ATOM 0 HA ASP A 41 -11.286 1.613 -0.201 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -9.353 3.508 -1.073 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -9.461 2.388 -2.416 1.00 0.00 H new ATOM 676 N VAL A 42 -8.812 -0.029 -1.611 1.00 0.00 N ATOM 677 CA VAL A 42 -8.526 -1.328 -2.285 1.00 0.00 C ATOM 678 C VAL A 42 -8.715 -2.492 -1.307 1.00 0.00 C ATOM 679 O VAL A 42 -9.307 -3.499 -1.633 1.00 0.00 O ATOM 680 CB VAL A 42 -7.065 -1.232 -2.725 1.00 0.00 C ATOM 681 CG1 VAL A 42 -6.642 -2.545 -3.384 1.00 0.00 C ATOM 682 CG2 VAL A 42 -6.912 -0.086 -3.728 1.00 0.00 C ATOM 0 H VAL A 42 -8.002 0.576 -1.472 1.00 0.00 H new ATOM 0 HA VAL A 42 -9.196 -1.510 -3.125 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.435 -1.044 -1.856 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.600 -2.476 -3.697 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.753 -3.362 -2.671 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.271 -2.735 -4.254 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.871 -0.015 -4.044 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -7.542 -0.276 -4.597 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -7.213 0.851 -3.259 1.00 0.00 H new ATOM 692 N ALA A 43 -8.209 -2.362 -0.111 1.00 0.00 N ATOM 693 CA ALA A 43 -8.354 -3.463 0.884 1.00 0.00 C ATOM 694 C ALA A 43 -9.817 -3.623 1.302 1.00 0.00 C ATOM 695 O ALA A 43 -10.337 -4.717 1.370 1.00 0.00 O ATOM 696 CB ALA A 43 -7.500 -3.033 2.076 1.00 0.00 C ATOM 0 H ALA A 43 -7.702 -1.541 0.220 1.00 0.00 H new ATOM 0 HA ALA A 43 -8.039 -4.424 0.479 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -7.554 -3.793 2.855 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.465 -2.913 1.757 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.872 -2.086 2.467 1.00 0.00 H new ATOM 702 N LYS A 44 -10.479 -2.542 1.586 1.00 0.00 N ATOM 703 CA LYS A 44 -11.908 -2.631 2.006 1.00 0.00 C ATOM 704 C LYS A 44 -12.772 -3.148 0.852 1.00 0.00 C ATOM 705 O LYS A 44 -13.724 -3.876 1.054 1.00 0.00 O ATOM 706 CB LYS A 44 -12.303 -1.199 2.378 1.00 0.00 C ATOM 707 CG LYS A 44 -12.610 -0.400 1.110 1.00 0.00 C ATOM 708 CD LYS A 44 -13.043 1.017 1.490 1.00 0.00 C ATOM 709 CE LYS A 44 -14.111 1.506 0.508 1.00 0.00 C ATOM 710 NZ LYS A 44 -15.296 1.819 1.355 1.00 0.00 N ATOM 0 H LYS A 44 -10.096 -1.597 1.547 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.050 -3.321 2.838 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -13.175 -1.211 3.032 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -11.495 -0.722 2.933 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -11.729 -0.363 0.469 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -13.398 -0.892 0.540 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -13.436 1.028 2.507 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -12.184 1.688 1.473 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -13.772 2.386 -0.038 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -14.346 0.742 -0.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -16.072 2.161 0.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -15.600 0.961 1.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -15.044 2.554 2.046 1.00 0.00 H new ATOM 724 N ALA A 45 -12.455 -2.768 -0.354 1.00 0.00 N ATOM 725 CA ALA A 45 -13.263 -3.225 -1.521 1.00 0.00 C ATOM 726 C ALA A 45 -13.204 -4.750 -1.670 1.00 0.00 C ATOM 727 O ALA A 45 -14.161 -5.376 -2.080 1.00 0.00 O ATOM 728 CB ALA A 45 -12.621 -2.547 -2.732 1.00 0.00 C ATOM 0 H ALA A 45 -11.669 -2.159 -0.583 1.00 0.00 H new ATOM 0 HA ALA A 45 -14.316 -2.967 -1.409 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -13.159 -2.832 -3.636 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -12.666 -1.465 -2.609 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -11.580 -2.860 -2.815 1.00 0.00 H new ATOM 734 N LEU A 46 -12.090 -5.356 -1.353 1.00 0.00 N ATOM 735 CA LEU A 46 -11.992 -6.840 -1.497 1.00 0.00 C ATOM 736 C LEU A 46 -11.752 -7.506 -0.140 1.00 0.00 C ATOM 737 O LEU A 46 -11.805 -8.713 -0.016 1.00 0.00 O ATOM 738 CB LEU A 46 -10.795 -7.067 -2.421 1.00 0.00 C ATOM 739 CG LEU A 46 -11.088 -6.463 -3.794 1.00 0.00 C ATOM 740 CD1 LEU A 46 -10.949 -4.942 -3.719 1.00 0.00 C ATOM 741 CD2 LEU A 46 -10.092 -7.015 -4.815 1.00 0.00 C ATOM 0 H LEU A 46 -11.251 -4.894 -1.004 1.00 0.00 H new ATOM 0 HA LEU A 46 -12.911 -7.271 -1.895 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -9.902 -6.611 -1.995 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -10.593 -8.134 -2.517 1.00 0.00 H new ATOM 0 HG LEU A 46 -12.102 -6.722 -4.098 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -11.158 -4.509 -4.697 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -11.656 -4.548 -2.989 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -9.934 -4.684 -3.417 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -10.300 -6.585 -5.795 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.078 -6.754 -4.512 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.188 -8.100 -4.867 1.00 0.00 H new ATOM 753 N ASN A 47 -11.487 -6.737 0.877 1.00 0.00 N ATOM 754 CA ASN A 47 -11.245 -7.343 2.219 1.00 0.00 C ATOM 755 C ASN A 47 -11.390 -6.289 3.321 1.00 0.00 C ATOM 756 O ASN A 47 -12.094 -5.311 3.169 1.00 0.00 O ATOM 757 CB ASN A 47 -9.810 -7.872 2.164 1.00 0.00 C ATOM 758 CG ASN A 47 -8.853 -6.728 1.827 1.00 0.00 C ATOM 759 OD1 ASN A 47 -8.748 -6.325 0.686 1.00 0.00 O ATOM 760 ND2 ASN A 47 -8.148 -6.182 2.779 1.00 0.00 N ATOM 0 H ASN A 47 -11.427 -5.719 0.840 1.00 0.00 H new ATOM 0 HA ASN A 47 -11.962 -8.132 2.446 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -9.539 -8.316 3.122 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -9.730 -8.659 1.414 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -7.509 -5.417 2.565 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -8.236 -6.520 3.737 1.00 0.00 H new ATOM 767 N ARG A 48 -10.732 -6.485 4.431 1.00 0.00 N ATOM 768 CA ARG A 48 -10.836 -5.499 5.547 1.00 0.00 C ATOM 769 C ARG A 48 -9.785 -4.396 5.384 1.00 0.00 C ATOM 770 O ARG A 48 -8.958 -4.450 4.496 1.00 0.00 O ATOM 771 CB ARG A 48 -10.569 -6.310 6.815 1.00 0.00 C ATOM 772 CG ARG A 48 -11.895 -6.607 7.519 1.00 0.00 C ATOM 773 CD ARG A 48 -11.781 -7.925 8.288 1.00 0.00 C ATOM 774 NE ARG A 48 -10.506 -7.818 9.048 1.00 0.00 N ATOM 775 CZ ARG A 48 -9.597 -8.747 8.932 1.00 0.00 C ATOM 776 NH1 ARG A 48 -9.420 -9.349 7.787 1.00 0.00 N ATOM 777 NH2 ARG A 48 -8.864 -9.074 9.961 1.00 0.00 N ATOM 0 H ARG A 48 -10.126 -7.285 4.614 1.00 0.00 H new ATOM 0 HA ARG A 48 -11.808 -5.007 5.573 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -10.062 -7.241 6.564 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -9.907 -5.756 7.481 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -12.146 -5.796 8.202 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -12.701 -6.669 6.788 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -12.629 -8.066 8.958 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -11.766 -8.778 7.609 1.00 0.00 H new ATOM 0 HE ARG A 48 -10.343 -7.018 9.660 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -9.992 -9.093 6.982 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -8.709 -10.075 7.697 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -9.002 -8.603 10.855 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -8.153 -9.800 9.871 1.00 0.00 H new ATOM 791 N PRO A 49 -9.858 -3.429 6.258 1.00 0.00 N ATOM 792 CA PRO A 49 -8.904 -2.292 6.222 1.00 0.00 C ATOM 793 C PRO A 49 -7.517 -2.740 6.694 1.00 0.00 C ATOM 794 O PRO A 49 -7.394 -3.484 7.647 1.00 0.00 O ATOM 795 CB PRO A 49 -9.512 -1.287 7.197 1.00 0.00 C ATOM 796 CG PRO A 49 -10.347 -2.106 8.128 1.00 0.00 C ATOM 797 CD PRO A 49 -10.826 -3.305 7.353 1.00 0.00 C ATOM 0 HA PRO A 49 -8.764 -1.880 5.222 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -8.737 -0.743 7.737 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -10.116 -0.546 6.674 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.765 -2.416 8.996 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -11.191 -1.526 8.500 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -10.843 -4.201 7.974 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -11.838 -3.159 6.976 1.00 0.00 H new ATOM 805 N PRO A 50 -6.517 -2.270 6.000 1.00 0.00 N ATOM 806 CA PRO A 50 -5.117 -2.624 6.340 1.00 0.00 C ATOM 807 C PRO A 50 -4.644 -1.839 7.568 1.00 0.00 C ATOM 808 O PRO A 50 -3.572 -2.074 8.088 1.00 0.00 O ATOM 809 CB PRO A 50 -4.333 -2.208 5.100 1.00 0.00 C ATOM 810 CG PRO A 50 -5.157 -1.139 4.452 1.00 0.00 C ATOM 811 CD PRO A 50 -6.595 -1.374 4.843 1.00 0.00 C ATOM 0 HA PRO A 50 -4.993 -3.678 6.588 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -3.344 -1.835 5.367 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -4.184 -3.052 4.427 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -4.828 -0.152 4.777 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -5.044 -1.172 3.368 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.095 -0.440 5.097 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -7.160 -1.826 4.028 1.00 0.00 H new ATOM 819 N THR A 51 -5.432 -0.909 8.033 1.00 0.00 N ATOM 820 CA THR A 51 -5.019 -0.113 9.226 1.00 0.00 C ATOM 821 C THR A 51 -4.713 -1.045 10.403 1.00 0.00 C ATOM 822 O THR A 51 -4.011 -0.684 11.326 1.00 0.00 O ATOM 823 CB THR A 51 -6.221 0.778 9.546 1.00 0.00 C ATOM 824 OG1 THR A 51 -7.383 0.240 8.932 1.00 0.00 O ATOM 825 CG2 THR A 51 -5.970 2.192 9.019 1.00 0.00 C ATOM 0 H THR A 51 -6.342 -0.665 7.641 1.00 0.00 H new ATOM 0 HA THR A 51 -4.118 0.471 9.040 1.00 0.00 H new ATOM 0 HB THR A 51 -6.365 0.818 10.626 1.00 0.00 H new ATOM 0 HG1 THR A 51 -8.154 0.808 9.137 1.00 0.00 H new ATOM 0 HG21 THR A 51 -6.828 2.824 9.249 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.079 2.604 9.493 1.00 0.00 H new ATOM 0 HG23 THR A 51 -5.824 2.157 7.939 1.00 0.00 H new ATOM 833 N TYR A 52 -5.243 -2.237 10.380 1.00 0.00 N ATOM 834 CA TYR A 52 -4.990 -3.189 11.501 1.00 0.00 C ATOM 835 C TYR A 52 -3.725 -4.022 11.246 1.00 0.00 C ATOM 836 O TYR A 52 -2.816 -4.022 12.051 1.00 0.00 O ATOM 837 CB TYR A 52 -6.226 -4.088 11.540 1.00 0.00 C ATOM 838 CG TYR A 52 -7.248 -3.496 12.480 1.00 0.00 C ATOM 839 CD1 TYR A 52 -7.829 -2.256 12.191 1.00 0.00 C ATOM 840 CD2 TYR A 52 -7.614 -4.187 13.641 1.00 0.00 C ATOM 841 CE1 TYR A 52 -8.776 -1.706 13.063 1.00 0.00 C ATOM 842 CE2 TYR A 52 -8.562 -3.637 14.514 1.00 0.00 C ATOM 843 CZ TYR A 52 -9.142 -2.396 14.224 1.00 0.00 C ATOM 844 OH TYR A 52 -10.076 -1.855 15.083 1.00 0.00 O ATOM 0 H TYR A 52 -5.840 -2.594 9.634 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.827 -2.668 12.444 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -6.649 -4.186 10.540 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -5.950 -5.090 11.869 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -7.547 -1.723 11.295 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -7.166 -5.144 13.864 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -9.224 -0.749 12.840 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -8.845 -4.170 15.410 1.00 0.00 H new ATOM 0 HH TYR A 52 -10.216 -2.463 15.839 1.00 0.00 H new ATOM 854 N PRO A 53 -3.716 -4.717 10.139 1.00 0.00 N ATOM 855 CA PRO A 53 -2.555 -5.576 9.789 1.00 0.00 C ATOM 856 C PRO A 53 -1.336 -4.734 9.397 1.00 0.00 C ATOM 857 O PRO A 53 -0.211 -5.188 9.472 1.00 0.00 O ATOM 858 CB PRO A 53 -3.058 -6.390 8.600 1.00 0.00 C ATOM 859 CG PRO A 53 -4.144 -5.561 7.996 1.00 0.00 C ATOM 860 CD PRO A 53 -4.768 -4.772 9.117 1.00 0.00 C ATOM 0 HA PRO A 53 -2.226 -6.196 10.623 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -2.259 -6.577 7.883 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -3.434 -7.362 8.918 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -3.742 -4.895 7.232 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -4.887 -6.193 7.509 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -5.059 -3.774 8.789 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -5.667 -5.258 9.495 1.00 0.00 H new ATOM 868 N THR A 54 -1.541 -3.515 8.979 1.00 0.00 N ATOM 869 CA THR A 54 -0.380 -2.662 8.585 1.00 0.00 C ATOM 870 C THR A 54 0.618 -2.557 9.742 1.00 0.00 C ATOM 871 O THR A 54 1.744 -2.135 9.564 1.00 0.00 O ATOM 872 CB THR A 54 -0.981 -1.291 8.271 1.00 0.00 C ATOM 873 OG1 THR A 54 0.052 -0.412 7.848 1.00 0.00 O ATOM 874 CG2 THR A 54 -1.654 -0.728 9.522 1.00 0.00 C ATOM 0 H THR A 54 -2.456 -3.073 8.893 1.00 0.00 H new ATOM 0 HA THR A 54 0.162 -3.074 7.734 1.00 0.00 H new ATOM 0 HB THR A 54 -1.723 -1.390 7.478 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.330 0.467 7.644 1.00 0.00 H new ATOM 0 HG21 THR A 54 -2.082 0.249 9.297 1.00 0.00 H new ATOM 0 HG22 THR A 54 -2.445 -1.405 9.845 1.00 0.00 H new ATOM 0 HG23 THR A 54 -0.916 -0.626 10.318 1.00 0.00 H new ATOM 882 N LYS A 55 0.217 -2.936 10.925 1.00 0.00 N ATOM 883 CA LYS A 55 1.145 -2.853 12.090 1.00 0.00 C ATOM 884 C LYS A 55 2.256 -3.902 11.964 1.00 0.00 C ATOM 885 O LYS A 55 3.417 -3.616 12.178 1.00 0.00 O ATOM 886 CB LYS A 55 0.273 -3.143 13.310 1.00 0.00 C ATOM 887 CG LYS A 55 0.322 -1.952 14.269 1.00 0.00 C ATOM 888 CD LYS A 55 -0.816 -0.984 13.938 1.00 0.00 C ATOM 889 CE LYS A 55 -1.758 -0.873 15.140 1.00 0.00 C ATOM 890 NZ LYS A 55 -2.014 0.586 15.294 1.00 0.00 N ATOM 0 H LYS A 55 -0.713 -3.299 11.136 1.00 0.00 H new ATOM 0 HA LYS A 55 1.634 -1.881 12.157 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.755 -3.331 12.999 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.623 -4.044 13.814 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.232 -2.297 15.299 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.282 -1.443 14.185 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -0.412 -0.003 13.687 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.364 -1.336 13.064 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -2.685 -1.420 14.967 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.303 -1.291 16.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -2.653 0.743 16.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.115 1.080 15.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.453 0.955 14.426 1.00 0.00 H new ATOM 904 N TYR A 56 1.910 -5.113 11.623 1.00 0.00 N ATOM 905 CA TYR A 56 2.949 -6.175 11.489 1.00 0.00 C ATOM 906 C TYR A 56 3.923 -5.827 10.359 1.00 0.00 C ATOM 907 O TYR A 56 5.127 -5.874 10.525 1.00 0.00 O ATOM 908 CB TYR A 56 2.172 -7.450 11.155 1.00 0.00 C ATOM 909 CG TYR A 56 1.505 -7.973 12.405 1.00 0.00 C ATOM 910 CD1 TYR A 56 2.218 -8.791 13.289 1.00 0.00 C ATOM 911 CD2 TYR A 56 0.173 -7.638 12.680 1.00 0.00 C ATOM 912 CE1 TYR A 56 1.599 -9.277 14.447 1.00 0.00 C ATOM 913 CE2 TYR A 56 -0.445 -8.122 13.838 1.00 0.00 C ATOM 914 CZ TYR A 56 0.268 -8.941 14.722 1.00 0.00 C ATOM 915 OH TYR A 56 -0.342 -9.420 15.864 1.00 0.00 O ATOM 0 H TYR A 56 0.954 -5.414 11.431 1.00 0.00 H new ATOM 0 HA TYR A 56 3.544 -6.286 12.396 1.00 0.00 H new ATOM 0 HB2 TYR A 56 1.424 -7.243 10.390 1.00 0.00 H new ATOM 0 HB3 TYR A 56 2.846 -8.203 10.747 1.00 0.00 H new ATOM 0 HD1 TYR A 56 3.246 -9.047 13.078 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -0.377 -7.006 11.998 1.00 0.00 H new ATOM 0 HE1 TYR A 56 2.148 -9.911 15.128 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -1.472 -7.864 14.050 1.00 0.00 H new ATOM 0 HH TYR A 56 -1.265 -9.092 15.904 1.00 0.00 H new ATOM 925 N PHE A 57 3.413 -5.477 9.211 1.00 0.00 N ATOM 926 CA PHE A 57 4.314 -5.125 8.078 1.00 0.00 C ATOM 927 C PHE A 57 5.240 -3.981 8.490 1.00 0.00 C ATOM 928 O PHE A 57 6.381 -3.914 8.080 1.00 0.00 O ATOM 929 CB PHE A 57 3.382 -4.683 6.950 1.00 0.00 C ATOM 930 CG PHE A 57 2.332 -5.743 6.716 1.00 0.00 C ATOM 931 CD1 PHE A 57 2.589 -7.074 7.063 1.00 0.00 C ATOM 932 CD2 PHE A 57 1.099 -5.393 6.152 1.00 0.00 C ATOM 933 CE1 PHE A 57 1.615 -8.056 6.846 1.00 0.00 C ATOM 934 CE2 PHE A 57 0.125 -6.375 5.935 1.00 0.00 C ATOM 935 CZ PHE A 57 0.383 -7.706 6.282 1.00 0.00 C ATOM 0 H PHE A 57 2.415 -5.420 9.009 1.00 0.00 H new ATOM 0 HA PHE A 57 4.947 -5.959 7.774 1.00 0.00 H new ATOM 0 HB2 PHE A 57 2.907 -3.736 7.207 1.00 0.00 H new ATOM 0 HB3 PHE A 57 3.953 -4.515 6.037 1.00 0.00 H new ATOM 0 HD1 PHE A 57 3.540 -7.344 7.499 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.899 -4.366 5.884 1.00 0.00 H new ATOM 0 HE1 PHE A 57 1.814 -9.083 7.114 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.826 -6.105 5.500 1.00 0.00 H new ATOM 0 HZ PHE A 57 -0.369 -8.463 6.115 1.00 0.00 H new ATOM 945 N GLY A 58 4.760 -3.084 9.306 1.00 0.00 N ATOM 946 CA GLY A 58 5.613 -1.947 9.751 1.00 0.00 C ATOM 947 C GLY A 58 6.848 -2.493 10.468 1.00 0.00 C ATOM 948 O GLY A 58 7.950 -2.017 10.278 1.00 0.00 O ATOM 0 H GLY A 58 3.813 -3.089 9.684 1.00 0.00 H new ATOM 0 HA2 GLY A 58 5.913 -1.345 8.893 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.050 -1.294 10.418 1.00 0.00 H new ATOM 952 N CYS A 59 6.678 -3.490 11.291 1.00 0.00 N ATOM 953 CA CYS A 59 7.847 -4.061 12.013 1.00 0.00 C ATOM 954 C CYS A 59 8.905 -4.516 11.005 1.00 0.00 C ATOM 955 O CYS A 59 10.091 -4.390 11.232 1.00 0.00 O ATOM 956 CB CYS A 59 7.292 -5.255 12.788 1.00 0.00 C ATOM 957 SG CYS A 59 7.351 -4.903 14.563 1.00 0.00 S ATOM 0 H CYS A 59 5.782 -3.933 11.494 1.00 0.00 H new ATOM 0 HA CYS A 59 8.323 -3.338 12.675 1.00 0.00 H new ATOM 0 HB2 CYS A 59 6.266 -5.457 12.480 1.00 0.00 H new ATOM 0 HB3 CYS A 59 7.873 -6.149 12.564 1.00 0.00 H new ATOM 0 HG CYS A 59 6.877 -5.918 15.223 1.00 0.00 H new ATOM 963 N GLU A 60 8.480 -5.049 9.892 1.00 0.00 N ATOM 964 CA GLU A 60 9.458 -5.517 8.867 1.00 0.00 C ATOM 965 C GLU A 60 10.282 -4.343 8.326 1.00 0.00 C ATOM 966 O GLU A 60 11.493 -4.406 8.259 1.00 0.00 O ATOM 967 CB GLU A 60 8.602 -6.126 7.756 1.00 0.00 C ATOM 968 CG GLU A 60 7.734 -7.246 8.334 1.00 0.00 C ATOM 969 CD GLU A 60 8.632 -8.334 8.926 1.00 0.00 C ATOM 970 OE1 GLU A 60 9.234 -8.083 9.957 1.00 0.00 O ATOM 971 OE2 GLU A 60 8.702 -9.401 8.338 1.00 0.00 O ATOM 0 H GLU A 60 7.499 -5.181 9.648 1.00 0.00 H new ATOM 0 HA GLU A 60 10.170 -6.232 9.279 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.972 -5.359 7.306 1.00 0.00 H new ATOM 0 HB3 GLU A 60 9.240 -6.518 6.964 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.072 -6.848 9.103 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.099 -7.668 7.555 1.00 0.00 H new ATOM 978 N LEU A 61 9.641 -3.274 7.933 1.00 0.00 N ATOM 979 CA LEU A 61 10.405 -2.109 7.388 1.00 0.00 C ATOM 980 C LEU A 61 10.966 -1.245 8.525 1.00 0.00 C ATOM 981 O LEU A 61 11.424 -0.141 8.306 1.00 0.00 O ATOM 982 CB LEU A 61 9.404 -1.313 6.541 1.00 0.00 C ATOM 983 CG LEU A 61 8.072 -1.175 7.282 1.00 0.00 C ATOM 984 CD1 LEU A 61 7.658 0.297 7.320 1.00 0.00 C ATOM 985 CD2 LEU A 61 6.997 -1.981 6.549 1.00 0.00 C ATOM 0 H LEU A 61 8.628 -3.155 7.965 1.00 0.00 H new ATOM 0 HA LEU A 61 11.260 -2.434 6.795 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.809 -0.325 6.320 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.246 -1.814 5.586 1.00 0.00 H new ATOM 0 HG LEU A 61 8.183 -1.550 8.299 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.709 0.395 7.848 1.00 0.00 H new ATOM 0 HD12 LEU A 61 8.422 0.877 7.837 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.547 0.670 6.302 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.047 -1.884 7.075 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.889 -1.603 5.532 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.288 -3.031 6.517 1.00 0.00 H new ATOM 997 N GLY A 62 10.947 -1.739 9.733 1.00 0.00 N ATOM 998 CA GLY A 62 11.494 -0.948 10.876 1.00 0.00 C ATOM 999 C GLY A 62 10.627 0.290 11.125 1.00 0.00 C ATOM 1000 O GLY A 62 10.940 1.121 11.956 1.00 0.00 O ATOM 0 H GLY A 62 10.576 -2.657 9.980 1.00 0.00 H new ATOM 0 HA2 GLY A 62 11.525 -1.566 11.773 1.00 0.00 H new ATOM 0 HA3 GLY A 62 12.519 -0.646 10.661 1.00 0.00 H new ATOM 1004 N ALA A 63 9.542 0.420 10.417 1.00 0.00 N ATOM 1005 CA ALA A 63 8.652 1.602 10.615 1.00 0.00 C ATOM 1006 C ALA A 63 7.255 1.125 11.008 1.00 0.00 C ATOM 1007 O ALA A 63 6.919 -0.027 10.831 1.00 0.00 O ATOM 1008 CB ALA A 63 8.621 2.306 9.262 1.00 0.00 C ATOM 0 H ALA A 63 9.230 -0.242 9.707 1.00 0.00 H new ATOM 0 HA ALA A 63 9.003 2.267 11.404 1.00 0.00 H new ATOM 0 HB1 ALA A 63 7.985 3.189 9.326 1.00 0.00 H new ATOM 0 HB2 ALA A 63 9.632 2.606 8.985 1.00 0.00 H new ATOM 0 HB3 ALA A 63 8.224 1.627 8.507 1.00 0.00 H new ATOM 1014 N GLN A 64 6.429 1.985 11.538 1.00 0.00 N ATOM 1015 CA GLN A 64 5.074 1.538 11.924 1.00 0.00 C ATOM 1016 C GLN A 64 4.037 2.216 11.035 1.00 0.00 C ATOM 1017 O GLN A 64 4.050 2.078 9.828 1.00 0.00 O ATOM 1018 CB GLN A 64 4.914 1.971 13.381 1.00 0.00 C ATOM 1019 CG GLN A 64 6.104 1.466 14.199 1.00 0.00 C ATOM 1020 CD GLN A 64 7.034 2.636 14.523 1.00 0.00 C ATOM 1021 OE1 GLN A 64 7.733 3.128 13.660 1.00 0.00 O ATOM 1022 NE2 GLN A 64 7.072 3.105 15.740 1.00 0.00 N ATOM 0 H GLN A 64 6.637 2.968 11.717 1.00 0.00 H new ATOM 0 HA GLN A 64 4.936 0.463 11.810 1.00 0.00 H new ATOM 0 HB2 GLN A 64 4.851 3.057 13.443 1.00 0.00 H new ATOM 0 HB3 GLN A 64 3.984 1.574 13.789 1.00 0.00 H new ATOM 0 HG2 GLN A 64 5.754 1.000 15.120 1.00 0.00 H new ATOM 0 HG3 GLN A 64 6.645 0.702 13.641 1.00 0.00 H new ATOM 0 HE21 GLN A 64 6.485 2.692 16.464 1.00 0.00 H new ATOM 0 HE22 GLN A 64 7.689 3.885 15.967 1.00 0.00 H new ATOM 1031 N THR A 65 3.139 2.943 11.623 1.00 0.00 N ATOM 1032 CA THR A 65 2.094 3.629 10.812 1.00 0.00 C ATOM 1033 C THR A 65 1.650 4.934 11.478 1.00 0.00 C ATOM 1034 O THR A 65 1.971 5.208 12.617 1.00 0.00 O ATOM 1035 CB THR A 65 0.926 2.646 10.727 1.00 0.00 C ATOM 1036 OG1 THR A 65 0.048 2.860 11.823 1.00 0.00 O ATOM 1037 CG2 THR A 65 1.448 1.207 10.760 1.00 0.00 C ATOM 0 H THR A 65 3.079 3.095 12.630 1.00 0.00 H new ATOM 0 HA THR A 65 2.471 3.897 9.825 1.00 0.00 H new ATOM 0 HB THR A 65 0.390 2.807 9.792 1.00 0.00 H new ATOM 0 HG1 THR A 65 -0.851 3.061 11.488 1.00 0.00 H new ATOM 0 HG21 THR A 65 0.609 0.514 10.699 1.00 0.00 H new ATOM 0 HG22 THR A 65 2.116 1.043 9.915 1.00 0.00 H new ATOM 0 HG23 THR A 65 1.991 1.038 11.690 1.00 0.00 H new ATOM 1045 N GLN A 66 0.886 5.722 10.775 1.00 0.00 N ATOM 1046 CA GLN A 66 0.377 7.000 11.354 1.00 0.00 C ATOM 1047 C GLN A 66 -1.029 7.241 10.812 1.00 0.00 C ATOM 1048 O GLN A 66 -1.307 6.966 9.660 1.00 0.00 O ATOM 1049 CB GLN A 66 1.343 8.080 10.869 1.00 0.00 C ATOM 1050 CG GLN A 66 1.818 8.914 12.062 1.00 0.00 C ATOM 1051 CD GLN A 66 1.717 10.401 11.719 1.00 0.00 C ATOM 1052 OE1 GLN A 66 2.717 11.055 11.496 1.00 0.00 O ATOM 1053 NE2 GLN A 66 0.542 10.967 11.666 1.00 0.00 N ATOM 0 H GLN A 66 0.589 5.536 9.817 1.00 0.00 H new ATOM 0 HA GLN A 66 0.324 6.991 12.443 1.00 0.00 H new ATOM 0 HB2 GLN A 66 2.196 7.622 10.369 1.00 0.00 H new ATOM 0 HB3 GLN A 66 0.851 8.720 10.137 1.00 0.00 H new ATOM 0 HG2 GLN A 66 1.211 8.691 12.940 1.00 0.00 H new ATOM 0 HG3 GLN A 66 2.847 8.657 12.312 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -0.297 10.418 11.853 1.00 0.00 H new ATOM 0 HE22 GLN A 66 0.463 11.958 11.437 1.00 0.00 H new ATOM 1062 N PHE A 67 -1.935 7.712 11.620 1.00 0.00 N ATOM 1063 CA PHE A 67 -3.317 7.910 11.108 1.00 0.00 C ATOM 1064 C PHE A 67 -3.837 9.322 11.328 1.00 0.00 C ATOM 1065 O PHE A 67 -3.575 9.949 12.335 1.00 0.00 O ATOM 1066 CB PHE A 67 -4.147 6.886 11.869 1.00 0.00 C ATOM 1067 CG PHE A 67 -3.942 5.577 11.177 1.00 0.00 C ATOM 1068 CD1 PHE A 67 -4.309 5.465 9.842 1.00 0.00 C ATOM 1069 CD2 PHE A 67 -3.343 4.500 11.838 1.00 0.00 C ATOM 1070 CE1 PHE A 67 -4.091 4.281 9.155 1.00 0.00 C ATOM 1071 CE2 PHE A 67 -3.111 3.307 11.147 1.00 0.00 C ATOM 1072 CZ PHE A 67 -3.487 3.195 9.803 1.00 0.00 C ATOM 0 H PHE A 67 -1.783 7.965 12.596 1.00 0.00 H new ATOM 0 HA PHE A 67 -3.363 7.776 10.027 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.832 6.828 12.911 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -5.201 7.164 11.870 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -4.766 6.304 9.337 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -3.061 4.589 12.877 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -4.387 4.195 8.120 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -2.643 2.473 11.649 1.00 0.00 H new ATOM 0 HZ PHE A 67 -3.312 2.274 9.267 1.00 0.00 H new ATOM 1082 N ASP A 68 -4.603 9.813 10.393 1.00 0.00 N ATOM 1083 CA ASP A 68 -5.178 11.175 10.551 1.00 0.00 C ATOM 1084 C ASP A 68 -6.694 11.101 10.378 1.00 0.00 C ATOM 1085 O ASP A 68 -7.192 10.742 9.330 1.00 0.00 O ATOM 1086 CB ASP A 68 -4.541 12.014 9.442 1.00 0.00 C ATOM 1087 CG ASP A 68 -3.851 13.234 10.057 1.00 0.00 C ATOM 1088 OD1 ASP A 68 -4.199 13.587 11.171 1.00 0.00 O ATOM 1089 OD2 ASP A 68 -2.988 13.793 9.401 1.00 0.00 O ATOM 0 H ASP A 68 -4.854 9.331 9.530 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.981 11.607 11.532 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.818 11.415 8.888 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.302 12.334 8.730 1.00 0.00 H new ATOM 1094 N VAL A 69 -7.432 11.434 11.399 1.00 0.00 N ATOM 1095 CA VAL A 69 -8.916 11.377 11.290 1.00 0.00 C ATOM 1096 C VAL A 69 -9.433 12.676 10.678 1.00 0.00 C ATOM 1097 O VAL A 69 -9.971 12.686 9.588 1.00 0.00 O ATOM 1098 CB VAL A 69 -9.408 11.205 12.725 1.00 0.00 C ATOM 1099 CG1 VAL A 69 -10.880 10.795 12.715 1.00 0.00 C ATOM 1100 CG2 VAL A 69 -8.578 10.116 13.408 1.00 0.00 C ATOM 0 H VAL A 69 -7.073 11.743 12.303 1.00 0.00 H new ATOM 0 HA VAL A 69 -9.266 10.566 10.651 1.00 0.00 H new ATOM 0 HB VAL A 69 -9.301 12.145 13.267 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -11.231 10.672 13.740 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -11.469 11.567 12.220 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -10.992 9.853 12.178 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.922 9.986 14.434 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -8.692 9.178 12.865 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -7.528 10.408 13.412 1.00 0.00 H new ATOM 1110 N LYS A 70 -9.251 13.777 11.350 1.00 0.00 N ATOM 1111 CA LYS A 70 -9.710 15.067 10.773 1.00 0.00 C ATOM 1112 C LYS A 70 -9.069 15.238 9.396 1.00 0.00 C ATOM 1113 O LYS A 70 -9.516 16.017 8.577 1.00 0.00 O ATOM 1114 CB LYS A 70 -9.214 16.142 11.741 1.00 0.00 C ATOM 1115 CG LYS A 70 -10.383 17.039 12.151 1.00 0.00 C ATOM 1116 CD LYS A 70 -10.213 17.464 13.611 1.00 0.00 C ATOM 1117 CE LYS A 70 -11.506 18.115 14.108 1.00 0.00 C ATOM 1118 NZ LYS A 70 -12.171 17.069 14.932 1.00 0.00 N ATOM 0 H LYS A 70 -8.808 13.839 12.267 1.00 0.00 H new ATOM 0 HA LYS A 70 -10.792 15.122 10.649 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -8.772 15.677 12.622 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -8.432 16.738 11.270 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -10.424 17.918 11.508 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -11.326 16.507 12.024 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -9.969 16.598 14.227 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -9.383 18.164 13.703 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -11.297 19.008 14.697 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -12.138 18.423 13.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -13.066 17.441 15.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -12.363 16.234 14.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -11.549 16.801 15.721 1.00 0.00 H new ATOM 1132 N ASN A 71 -8.022 14.500 9.140 1.00 0.00 N ATOM 1133 CA ASN A 71 -7.336 14.592 7.821 1.00 0.00 C ATOM 1134 C ASN A 71 -7.744 13.413 6.933 1.00 0.00 C ATOM 1135 O ASN A 71 -7.810 13.536 5.727 1.00 0.00 O ATOM 1136 CB ASN A 71 -5.844 14.532 8.147 1.00 0.00 C ATOM 1137 CG ASN A 71 -5.203 15.889 7.855 1.00 0.00 C ATOM 1138 OD1 ASN A 71 -4.551 16.061 6.843 1.00 0.00 O ATOM 1139 ND2 ASN A 71 -5.359 16.867 8.705 1.00 0.00 N ATOM 0 H ASN A 71 -7.611 13.833 9.793 1.00 0.00 H new ATOM 0 HA ASN A 71 -7.596 15.501 7.279 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -5.700 14.268 9.195 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -5.362 13.755 7.553 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -4.934 17.776 8.520 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -5.906 16.723 9.554 1.00 0.00 H new ATOM 1146 N ASP A 72 -8.025 12.270 7.517 1.00 0.00 N ATOM 1147 CA ASP A 72 -8.438 11.090 6.695 1.00 0.00 C ATOM 1148 C ASP A 72 -7.251 10.555 5.901 1.00 0.00 C ATOM 1149 O ASP A 72 -7.405 9.800 4.963 1.00 0.00 O ATOM 1150 CB ASP A 72 -9.479 11.631 5.734 1.00 0.00 C ATOM 1151 CG ASP A 72 -10.439 12.562 6.477 1.00 0.00 C ATOM 1152 OD1 ASP A 72 -11.274 12.057 7.210 1.00 0.00 O ATOM 1153 OD2 ASP A 72 -10.323 13.764 6.302 1.00 0.00 O ATOM 0 H ASP A 72 -7.986 12.106 8.523 1.00 0.00 H new ATOM 0 HA ASP A 72 -8.815 10.276 7.315 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.991 12.170 4.922 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -10.033 10.808 5.283 1.00 0.00 H new ATOM 1158 N ARG A 73 -6.073 10.949 6.263 1.00 0.00 N ATOM 1159 CA ARG A 73 -4.871 10.473 5.523 1.00 0.00 C ATOM 1160 C ARG A 73 -4.022 9.587 6.430 1.00 0.00 C ATOM 1161 O ARG A 73 -3.700 9.947 7.544 1.00 0.00 O ATOM 1162 CB ARG A 73 -4.108 11.744 5.146 1.00 0.00 C ATOM 1163 CG ARG A 73 -3.173 11.451 3.972 1.00 0.00 C ATOM 1164 CD ARG A 73 -2.579 12.761 3.451 1.00 0.00 C ATOM 1165 NE ARG A 73 -3.755 13.621 3.142 1.00 0.00 N ATOM 1166 CZ ARG A 73 -3.590 14.897 2.924 1.00 0.00 C ATOM 1167 NH1 ARG A 73 -2.800 15.301 1.967 1.00 0.00 N ATOM 1168 NH2 ARG A 73 -4.218 15.771 3.663 1.00 0.00 N ATOM 0 H ARG A 73 -5.883 11.582 7.040 1.00 0.00 H new ATOM 0 HA ARG A 73 -5.129 9.881 4.645 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.808 12.535 4.878 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.534 12.103 6.000 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -2.376 10.778 4.288 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.720 10.946 3.176 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -1.935 13.226 4.197 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -1.969 12.592 2.563 1.00 0.00 H new ATOM 0 HE ARG A 73 -4.689 13.213 3.101 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -2.310 14.619 1.388 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -2.672 16.299 1.798 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -4.837 15.456 4.410 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -4.090 16.769 3.493 1.00 0.00 H new ATOM 1182 N TYR A 74 -3.659 8.427 5.963 1.00 0.00 N ATOM 1183 CA TYR A 74 -2.838 7.519 6.803 1.00 0.00 C ATOM 1184 C TYR A 74 -1.451 7.349 6.183 1.00 0.00 C ATOM 1185 O TYR A 74 -1.314 7.176 4.989 1.00 0.00 O ATOM 1186 CB TYR A 74 -3.602 6.198 6.810 1.00 0.00 C ATOM 1187 CG TYR A 74 -5.085 6.468 6.967 1.00 0.00 C ATOM 1188 CD1 TYR A 74 -5.526 7.597 7.675 1.00 0.00 C ATOM 1189 CD2 TYR A 74 -6.018 5.595 6.395 1.00 0.00 C ATOM 1190 CE1 TYR A 74 -6.898 7.849 7.810 1.00 0.00 C ATOM 1191 CE2 TYR A 74 -7.389 5.846 6.532 1.00 0.00 C ATOM 1192 CZ TYR A 74 -7.829 6.973 7.239 1.00 0.00 C ATOM 1193 OH TYR A 74 -9.180 7.219 7.371 1.00 0.00 O ATOM 0 H TYR A 74 -3.896 8.070 5.037 1.00 0.00 H new ATOM 0 HA TYR A 74 -2.685 7.900 7.813 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -3.417 5.655 5.883 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -3.249 5.567 7.625 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -4.807 8.272 8.116 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.680 4.727 5.848 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -7.237 8.718 8.354 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.108 5.170 6.092 1.00 0.00 H new ATOM 0 HH TYR A 74 -9.687 6.515 6.915 1.00 0.00 H new ATOM 1203 N ILE A 75 -0.421 7.404 6.980 1.00 0.00 N ATOM 1204 CA ILE A 75 0.950 7.252 6.420 1.00 0.00 C ATOM 1205 C ILE A 75 1.735 6.192 7.197 1.00 0.00 C ATOM 1206 O ILE A 75 1.547 6.007 8.383 1.00 0.00 O ATOM 1207 CB ILE A 75 1.605 8.630 6.562 1.00 0.00 C ATOM 1208 CG1 ILE A 75 2.154 8.796 7.980 1.00 0.00 C ATOM 1209 CG2 ILE A 75 0.570 9.723 6.287 1.00 0.00 C ATOM 1210 CD1 ILE A 75 3.672 8.609 7.963 1.00 0.00 C ATOM 0 H ILE A 75 -0.468 7.547 7.989 1.00 0.00 H new ATOM 0 HA ILE A 75 0.929 6.923 5.381 1.00 0.00 H new ATOM 0 HB ILE A 75 2.421 8.714 5.845 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.903 9.784 8.366 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.694 8.067 8.647 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.039 10.702 6.389 1.00 0.00 H new ATOM 0 HG22 ILE A 75 0.182 9.610 5.275 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.249 9.637 7.001 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.064 8.727 8.973 1.00 0.00 H new ATOM 0 HD12 ILE A 75 3.912 7.611 7.595 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.123 9.355 7.309 1.00 0.00 H new ATOM 1222 N VAL A 76 2.620 5.503 6.533 1.00 0.00 N ATOM 1223 CA VAL A 76 3.429 4.462 7.220 1.00 0.00 C ATOM 1224 C VAL A 76 4.892 4.895 7.221 1.00 0.00 C ATOM 1225 O VAL A 76 5.472 5.153 6.185 1.00 0.00 O ATOM 1226 CB VAL A 76 3.239 3.193 6.390 1.00 0.00 C ATOM 1227 CG1 VAL A 76 4.244 2.132 6.843 1.00 0.00 C ATOM 1228 CG2 VAL A 76 1.817 2.664 6.589 1.00 0.00 C ATOM 0 H VAL A 76 2.818 5.618 5.539 1.00 0.00 H new ATOM 0 HA VAL A 76 3.130 4.304 8.256 1.00 0.00 H new ATOM 0 HB VAL A 76 3.400 3.420 5.336 1.00 0.00 H new ATOM 0 HG11 VAL A 76 4.109 1.227 6.251 1.00 0.00 H new ATOM 0 HG12 VAL A 76 5.258 2.508 6.704 1.00 0.00 H new ATOM 0 HG13 VAL A 76 4.083 1.904 7.897 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.679 1.759 5.998 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.658 2.437 7.643 1.00 0.00 H new ATOM 0 HG23 VAL A 76 1.100 3.419 6.268 1.00 0.00 H new ATOM 1238 N ASN A 77 5.490 4.994 8.371 1.00 0.00 N ATOM 1239 CA ASN A 77 6.911 5.434 8.421 1.00 0.00 C ATOM 1240 C ASN A 77 7.756 4.618 7.440 1.00 0.00 C ATOM 1241 O ASN A 77 7.548 3.436 7.256 1.00 0.00 O ATOM 1242 CB ASN A 77 7.359 5.186 9.862 1.00 0.00 C ATOM 1243 CG ASN A 77 6.873 6.332 10.750 1.00 0.00 C ATOM 1244 OD1 ASN A 77 6.955 7.484 10.375 1.00 0.00 O ATOM 1245 ND2 ASN A 77 6.368 6.062 11.923 1.00 0.00 N ATOM 0 H ASN A 77 5.062 4.791 9.274 1.00 0.00 H new ATOM 0 HA ASN A 77 7.027 6.480 8.138 1.00 0.00 H new ATOM 0 HB2 ASN A 77 6.958 4.238 10.221 1.00 0.00 H new ATOM 0 HB3 ASN A 77 8.445 5.111 9.909 1.00 0.00 H new ATOM 0 HD21 ASN A 77 6.042 6.819 12.524 1.00 0.00 H new ATOM 0 HD22 ASN A 77 6.299 5.094 12.238 1.00 0.00 H new ATOM 1252 N GLY A 78 8.706 5.246 6.807 1.00 0.00 N ATOM 1253 CA GLY A 78 9.565 4.513 5.836 1.00 0.00 C ATOM 1254 C GLY A 78 9.191 4.927 4.414 1.00 0.00 C ATOM 1255 O GLY A 78 8.032 5.096 4.090 1.00 0.00 O ATOM 0 H GLY A 78 8.925 6.236 6.920 1.00 0.00 H new ATOM 0 HA2 GLY A 78 10.616 4.732 6.026 1.00 0.00 H new ATOM 0 HA3 GLY A 78 9.436 3.438 5.959 1.00 0.00 H new ATOM 1259 N SER A 79 10.162 5.092 3.561 1.00 0.00 N ATOM 1260 CA SER A 79 9.858 5.492 2.159 1.00 0.00 C ATOM 1261 C SER A 79 9.881 4.263 1.252 1.00 0.00 C ATOM 1262 O SER A 79 10.857 3.543 1.189 1.00 0.00 O ATOM 1263 CB SER A 79 10.964 6.466 1.774 1.00 0.00 C ATOM 1264 OG SER A 79 12.204 5.774 1.720 1.00 0.00 O ATOM 0 H SER A 79 11.152 4.967 3.773 1.00 0.00 H new ATOM 0 HA SER A 79 8.871 5.945 2.060 1.00 0.00 H new ATOM 0 HB2 SER A 79 10.745 6.918 0.807 1.00 0.00 H new ATOM 0 HB3 SER A 79 11.019 7.277 2.500 1.00 0.00 H new ATOM 0 HG SER A 79 12.041 4.808 1.748 1.00 0.00 H new ATOM 1270 N HIS A 80 8.810 4.014 0.551 1.00 0.00 N ATOM 1271 CA HIS A 80 8.773 2.823 -0.347 1.00 0.00 C ATOM 1272 C HIS A 80 8.024 3.149 -1.643 1.00 0.00 C ATOM 1273 O HIS A 80 6.962 3.737 -1.628 1.00 0.00 O ATOM 1274 CB HIS A 80 8.023 1.741 0.439 1.00 0.00 C ATOM 1275 CG HIS A 80 8.139 2.005 1.917 1.00 0.00 C ATOM 1276 ND1 HIS A 80 7.076 2.484 2.665 1.00 0.00 N ATOM 1277 CD2 HIS A 80 9.185 1.865 2.796 1.00 0.00 C ATOM 1278 CE1 HIS A 80 7.500 2.616 3.935 1.00 0.00 C ATOM 1279 NE2 HIS A 80 8.778 2.252 4.071 1.00 0.00 N ATOM 0 H HIS A 80 7.962 4.580 0.560 1.00 0.00 H new ATOM 0 HA HIS A 80 9.776 2.502 -0.629 1.00 0.00 H new ATOM 0 HB2 HIS A 80 6.974 1.728 0.145 1.00 0.00 H new ATOM 0 HB3 HIS A 80 8.433 0.759 0.203 1.00 0.00 H new ATOM 0 HD2 HIS A 80 10.172 1.509 2.538 1.00 0.00 H new ATOM 0 HE1 HIS A 80 6.882 2.973 4.746 1.00 0.00 H new ATOM 0 HE2 HIS A 80 9.336 2.256 4.925 1.00 0.00 H new ATOM 1287 N GLU A 81 8.566 2.754 -2.761 1.00 0.00 N ATOM 1288 CA GLU A 81 7.885 3.021 -4.060 1.00 0.00 C ATOM 1289 C GLU A 81 6.869 1.910 -4.340 1.00 0.00 C ATOM 1290 O GLU A 81 6.958 0.829 -3.794 1.00 0.00 O ATOM 1291 CB GLU A 81 9.008 3.016 -5.103 1.00 0.00 C ATOM 1292 CG GLU A 81 8.458 2.568 -6.459 1.00 0.00 C ATOM 1293 CD GLU A 81 9.295 3.188 -7.579 1.00 0.00 C ATOM 1294 OE1 GLU A 81 10.268 3.855 -7.266 1.00 0.00 O ATOM 1295 OE2 GLU A 81 8.950 2.986 -8.732 1.00 0.00 O ATOM 0 H GLU A 81 9.454 2.256 -2.832 1.00 0.00 H new ATOM 0 HA GLU A 81 7.339 3.964 -4.068 1.00 0.00 H new ATOM 0 HB2 GLU A 81 9.442 4.012 -5.188 1.00 0.00 H new ATOM 0 HB3 GLU A 81 9.808 2.346 -4.786 1.00 0.00 H new ATOM 0 HG2 GLU A 81 8.482 1.481 -6.532 1.00 0.00 H new ATOM 0 HG3 GLU A 81 7.416 2.871 -6.559 1.00 0.00 H new ATOM 1302 N ALA A 82 5.902 2.162 -5.178 1.00 0.00 N ATOM 1303 CA ALA A 82 4.890 1.107 -5.472 1.00 0.00 C ATOM 1304 C ALA A 82 5.599 -0.194 -5.855 1.00 0.00 C ATOM 1305 O ALA A 82 5.249 -1.263 -5.393 1.00 0.00 O ATOM 1306 CB ALA A 82 4.081 1.648 -6.648 1.00 0.00 C ATOM 0 H ALA A 82 5.768 3.046 -5.669 1.00 0.00 H new ATOM 0 HA ALA A 82 4.253 0.887 -4.615 1.00 0.00 H new ATOM 0 HB1 ALA A 82 3.313 0.926 -6.924 1.00 0.00 H new ATOM 0 HB2 ALA A 82 3.609 2.588 -6.363 1.00 0.00 H new ATOM 0 HB3 ALA A 82 4.743 1.817 -7.498 1.00 0.00 H new ATOM 1312 N ASN A 83 6.607 -0.110 -6.678 1.00 0.00 N ATOM 1313 CA ASN A 83 7.353 -1.342 -7.067 1.00 0.00 C ATOM 1314 C ASN A 83 8.043 -1.922 -5.832 1.00 0.00 C ATOM 1315 O ASN A 83 8.195 -3.118 -5.688 1.00 0.00 O ATOM 1316 CB ASN A 83 8.383 -0.877 -8.096 1.00 0.00 C ATOM 1317 CG ASN A 83 8.672 -2.012 -9.079 1.00 0.00 C ATOM 1318 OD1 ASN A 83 9.529 -2.839 -8.837 1.00 0.00 O ATOM 1319 ND2 ASN A 83 7.987 -2.089 -10.188 1.00 0.00 N ATOM 0 H ASN A 83 6.947 0.755 -7.098 1.00 0.00 H new ATOM 0 HA ASN A 83 6.706 -2.118 -7.476 1.00 0.00 H new ATOM 0 HB2 ASN A 83 8.009 -0.004 -8.632 1.00 0.00 H new ATOM 0 HB3 ASN A 83 9.302 -0.573 -7.595 1.00 0.00 H new ATOM 0 HD21 ASN A 83 8.171 -2.843 -10.850 1.00 0.00 H new ATOM 0 HD22 ASN A 83 7.267 -1.395 -10.392 1.00 0.00 H new ATOM 1326 N LYS A 84 8.459 -1.066 -4.939 1.00 0.00 N ATOM 1327 CA LYS A 84 9.140 -1.531 -3.697 1.00 0.00 C ATOM 1328 C LYS A 84 8.221 -2.463 -2.904 1.00 0.00 C ATOM 1329 O LYS A 84 8.667 -3.409 -2.284 1.00 0.00 O ATOM 1330 CB LYS A 84 9.424 -0.256 -2.903 1.00 0.00 C ATOM 1331 CG LYS A 84 10.841 -0.319 -2.326 1.00 0.00 C ATOM 1332 CD LYS A 84 11.858 -0.348 -3.468 1.00 0.00 C ATOM 1333 CE LYS A 84 11.558 0.788 -4.449 1.00 0.00 C ATOM 1334 NZ LYS A 84 12.692 0.771 -5.415 1.00 0.00 N ATOM 0 H LYS A 84 8.355 -0.054 -5.018 1.00 0.00 H new ATOM 0 HA LYS A 84 10.050 -2.092 -3.911 1.00 0.00 H new ATOM 0 HB2 LYS A 84 9.321 0.617 -3.547 1.00 0.00 H new ATOM 0 HB3 LYS A 84 8.697 -0.146 -2.099 1.00 0.00 H new ATOM 0 HG2 LYS A 84 11.023 0.544 -1.685 1.00 0.00 H new ATOM 0 HG3 LYS A 84 10.952 -1.207 -1.704 1.00 0.00 H new ATOM 0 HD2 LYS A 84 12.868 -0.243 -3.072 1.00 0.00 H new ATOM 0 HD3 LYS A 84 11.815 -1.308 -3.983 1.00 0.00 H new ATOM 0 HE2 LYS A 84 10.606 0.631 -4.955 1.00 0.00 H new ATOM 0 HE3 LYS A 84 11.492 1.747 -3.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 12.558 1.523 -6.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 13.585 0.929 -4.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 12.726 -0.151 -5.894 1.00 0.00 H new ATOM 1348 N LEU A 85 6.942 -2.201 -2.907 1.00 0.00 N ATOM 1349 CA LEU A 85 6.005 -3.072 -2.139 1.00 0.00 C ATOM 1350 C LEU A 85 6.106 -4.515 -2.639 1.00 0.00 C ATOM 1351 O LEU A 85 6.068 -5.452 -1.865 1.00 0.00 O ATOM 1352 CB LEU A 85 4.612 -2.505 -2.420 1.00 0.00 C ATOM 1353 CG LEU A 85 4.364 -1.279 -1.538 1.00 0.00 C ATOM 1354 CD1 LEU A 85 4.673 -1.623 -0.080 1.00 0.00 C ATOM 1355 CD2 LEU A 85 5.268 -0.131 -1.995 1.00 0.00 C ATOM 0 H LEU A 85 6.506 -1.425 -3.406 1.00 0.00 H new ATOM 0 HA LEU A 85 6.230 -3.084 -1.073 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.526 -2.231 -3.472 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.854 -3.264 -2.225 1.00 0.00 H new ATOM 0 HG LEU A 85 3.320 -0.977 -1.624 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.496 -0.748 0.546 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.028 -2.439 0.246 1.00 0.00 H new ATOM 0 HD13 LEU A 85 5.716 -1.927 0.009 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.092 0.743 -1.367 1.00 0.00 H new ATOM 0 HD22 LEU A 85 6.312 -0.434 -1.911 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.045 0.117 -3.033 1.00 0.00 H new ATOM 1367 N GLN A 86 6.249 -4.707 -3.923 1.00 0.00 N ATOM 1368 CA GLN A 86 6.368 -6.097 -4.450 1.00 0.00 C ATOM 1369 C GLN A 86 7.701 -6.697 -3.999 1.00 0.00 C ATOM 1370 O GLN A 86 7.763 -7.803 -3.494 1.00 0.00 O ATOM 1371 CB GLN A 86 6.328 -5.952 -5.971 1.00 0.00 C ATOM 1372 CG GLN A 86 5.879 -7.274 -6.598 1.00 0.00 C ATOM 1373 CD GLN A 86 5.445 -7.034 -8.045 1.00 0.00 C ATOM 1374 OE1 GLN A 86 6.173 -7.340 -8.969 1.00 0.00 O ATOM 1375 NE2 GLN A 86 4.281 -6.493 -8.284 1.00 0.00 N ATOM 0 H GLN A 86 6.288 -3.968 -4.625 1.00 0.00 H new ATOM 0 HA GLN A 86 5.576 -6.754 -4.091 1.00 0.00 H new ATOM 0 HB2 GLN A 86 5.643 -5.152 -6.253 1.00 0.00 H new ATOM 0 HB3 GLN A 86 7.313 -5.675 -6.347 1.00 0.00 H new ATOM 0 HG2 GLN A 86 6.693 -7.998 -6.567 1.00 0.00 H new ATOM 0 HG3 GLN A 86 5.054 -7.698 -6.026 1.00 0.00 H new ATOM 0 HE21 GLN A 86 3.669 -6.236 -7.509 1.00 0.00 H new ATOM 0 HE22 GLN A 86 3.983 -6.328 -9.245 1.00 0.00 H new ATOM 1384 N ASP A 87 8.770 -5.965 -4.160 1.00 0.00 N ATOM 1385 CA ASP A 87 10.098 -6.480 -3.725 1.00 0.00 C ATOM 1386 C ASP A 87 10.127 -6.581 -2.200 1.00 0.00 C ATOM 1387 O ASP A 87 10.711 -7.484 -1.635 1.00 0.00 O ATOM 1388 CB ASP A 87 11.111 -5.446 -4.218 1.00 0.00 C ATOM 1389 CG ASP A 87 12.509 -6.066 -4.231 1.00 0.00 C ATOM 1390 OD1 ASP A 87 12.597 -7.282 -4.185 1.00 0.00 O ATOM 1391 OD2 ASP A 87 13.469 -5.314 -4.285 1.00 0.00 O ATOM 0 H ASP A 87 8.780 -5.033 -4.574 1.00 0.00 H new ATOM 0 HA ASP A 87 10.316 -7.471 -4.122 1.00 0.00 H new ATOM 0 HB2 ASP A 87 10.843 -5.107 -5.219 1.00 0.00 H new ATOM 0 HB3 ASP A 87 11.096 -4.570 -3.570 1.00 0.00 H new