USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 541 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 33 SER OG : rot 180:sc= -0.0708 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= -0.0436 X(o=-0.044,f=0) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot -61:sc= 0.881 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 160:sc= -0.898 USER MOD Single : A 58 GLN :FLIP amide:sc= -0.162 F(o=-0.71,f=-0.16) USER MOD Single : A 65 LYS NZ :NH3+ -172:sc= -0.499 (180deg=-0.819) USER MOD Single : A 66 THR OG1 : rot 71:sc= 0.493 USER MOD Single : A 67 MET CE :methyl -152:sc= -2.32! (180deg=-3.93!) USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN :FLIP amide:sc= -0.0351 F(o=-0.91,f=-0.035) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.2) USER MOD Single : A 88 ASN : amide:sc= -0.43 X(o=-0.43,f=0) USER MOD Single : A 89 TYR OH : rot -65:sc= 0.016 USER MOD Single : A 90 THR OG1 : rot 29:sc= 0.283 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 87:sc= 0.1 USER MOD ----------------------------------------------------------------- ATOM 432 N VAL A 31 14.694 -9.436 4.815 1.00 72.13 N ATOM 433 CA VAL A 31 14.194 -9.598 3.455 1.00 51.21 C ATOM 434 C VAL A 31 12.672 -9.508 3.415 1.00 11.41 C ATOM 435 O VAL A 31 12.012 -10.304 2.749 1.00 12.53 O ATOM 436 CB VAL A 31 14.634 -10.944 2.851 1.00 14.00 C ATOM 437 CG1 VAL A 31 16.148 -11.003 2.723 1.00 61.25 C ATOM 438 CG2 VAL A 31 14.117 -12.100 3.693 1.00 1.44 C ATOM 0 HA VAL A 31 14.619 -8.787 2.863 1.00 51.21 H new ATOM 0 HB VAL A 31 14.205 -11.031 1.853 1.00 14.00 H new ATOM 0 HG11 VAL A 31 16.440 -11.962 2.294 1.00 61.25 H new ATOM 0 HG12 VAL A 31 16.490 -10.196 2.075 1.00 61.25 H new ATOM 0 HG13 VAL A 31 16.601 -10.893 3.708 1.00 61.25 H new ATOM 0 HG21 VAL A 31 14.437 -13.044 3.251 1.00 1.44 H new ATOM 0 HG22 VAL A 31 14.514 -12.019 4.705 1.00 1.44 H new ATOM 0 HG23 VAL A 31 13.028 -12.067 3.727 1.00 1.44 H new ATOM 448 N GLU A 32 12.123 -8.533 4.133 1.00 61.00 N ATOM 449 CA GLU A 32 10.679 -8.340 4.180 1.00 73.00 C ATOM 450 C GLU A 32 10.186 -7.620 2.928 1.00 74.04 C ATOM 451 O GLU A 32 9.011 -7.706 2.572 1.00 72.44 O ATOM 452 CB GLU A 32 10.288 -7.544 5.426 1.00 50.21 C ATOM 453 CG GLU A 32 10.763 -6.100 5.400 1.00 1.33 C ATOM 454 CD GLU A 32 10.261 -5.299 6.587 1.00 62.33 C ATOM 455 OE1 GLU A 32 11.100 -4.716 7.305 1.00 41.00 O ATOM 456 OE2 GLU A 32 9.032 -5.257 6.797 1.00 31.30 O ATOM 0 H GLU A 32 12.656 -7.865 4.690 1.00 61.00 H new ATOM 0 HA GLU A 32 10.208 -9.322 4.223 1.00 73.00 H new ATOM 0 HB2 GLU A 32 9.203 -7.559 5.531 1.00 50.21 H new ATOM 0 HB3 GLU A 32 10.700 -8.037 6.306 1.00 50.21 H new ATOM 0 HG2 GLU A 32 11.853 -6.080 5.388 1.00 1.33 H new ATOM 0 HG3 GLU A 32 10.425 -5.627 4.478 1.00 1.33 H new ATOM 464 N SER A 33 11.092 -6.909 2.265 1.00 61.30 N ATOM 465 CA SER A 33 10.750 -6.171 1.055 1.00 15.31 C ATOM 466 C SER A 33 11.473 -6.747 -0.157 1.00 4.22 C ATOM 467 O SER A 33 11.041 -6.568 -1.296 1.00 31.10 O ATOM 468 CB SER A 33 11.104 -4.690 1.219 1.00 63.31 C ATOM 469 OG SER A 33 10.648 -4.191 2.464 1.00 23.45 O ATOM 0 H SER A 33 12.069 -6.828 2.546 1.00 61.30 H new ATOM 0 HA SER A 33 9.676 -6.266 0.893 1.00 15.31 H new ATOM 0 HB2 SER A 33 12.184 -4.561 1.146 1.00 63.31 H new ATOM 0 HB3 SER A 33 10.658 -4.114 0.408 1.00 63.31 H new ATOM 0 HG SER A 33 10.888 -3.244 2.545 1.00 23.45 H new ATOM 475 N ASP A 34 12.579 -7.440 0.096 1.00 32.43 N ATOM 476 CA ASP A 34 13.363 -8.046 -0.974 1.00 11.34 C ATOM 477 C ASP A 34 12.499 -8.969 -1.826 1.00 60.45 C ATOM 478 O ASP A 34 12.789 -9.199 -3.001 1.00 61.25 O ATOM 479 CB ASP A 34 14.544 -8.826 -0.391 1.00 14.24 C ATOM 480 CG ASP A 34 15.463 -9.371 -1.465 1.00 4.43 C ATOM 481 OD1 ASP A 34 15.486 -8.798 -2.575 1.00 14.41 O ATOM 482 OD2 ASP A 34 16.163 -10.370 -1.196 1.00 42.40 O ATOM 0 H ASP A 34 12.952 -7.596 1.032 1.00 32.43 H new ATOM 0 HA ASP A 34 13.743 -7.246 -1.609 1.00 11.34 H new ATOM 0 HB2 ASP A 34 15.112 -8.176 0.274 1.00 14.24 H new ATOM 0 HB3 ASP A 34 14.168 -9.651 0.214 1.00 14.24 H new ATOM 488 N LEU A 35 11.436 -9.496 -1.228 1.00 23.51 N ATOM 489 CA LEU A 35 10.530 -10.396 -1.931 1.00 73.33 C ATOM 490 C LEU A 35 9.562 -9.614 -2.813 1.00 32.31 C ATOM 491 O LEU A 35 9.163 -10.080 -3.880 1.00 70.12 O ATOM 492 CB LEU A 35 9.749 -11.251 -0.931 1.00 50.41 C ATOM 493 CG LEU A 35 9.363 -12.653 -1.404 1.00 11.23 C ATOM 494 CD1 LEU A 35 8.425 -12.574 -2.598 1.00 54.55 C ATOM 495 CD2 LEU A 35 10.605 -13.460 -1.753 1.00 12.12 C ATOM 0 H LEU A 35 11.181 -9.315 -0.257 1.00 23.51 H new ATOM 0 HA LEU A 35 11.128 -11.048 -2.568 1.00 73.33 H new ATOM 0 HB2 LEU A 35 10.344 -11.347 -0.023 1.00 50.41 H new ATOM 0 HB3 LEU A 35 8.838 -10.717 -0.660 1.00 50.41 H new ATOM 0 HG LEU A 35 8.842 -13.159 -0.591 1.00 11.23 H new ATOM 0 HD11 LEU A 35 8.161 -13.581 -2.921 1.00 54.55 H new ATOM 0 HD12 LEU A 35 7.521 -12.035 -2.315 1.00 54.55 H new ATOM 0 HD13 LEU A 35 8.920 -12.049 -3.415 1.00 54.55 H new ATOM 0 HD21 LEU A 35 10.310 -14.455 -2.087 1.00 12.12 H new ATOM 0 HD22 LEU A 35 11.154 -12.957 -2.549 1.00 12.12 H new ATOM 0 HD23 LEU A 35 11.242 -13.547 -0.873 1.00 12.12 H new ATOM 507 N ASP A 36 9.190 -8.421 -2.361 1.00 30.13 N ATOM 508 CA ASP A 36 8.271 -7.572 -3.110 1.00 11.22 C ATOM 509 C ASP A 36 8.840 -7.236 -4.485 1.00 33.41 C ATOM 510 O ASP A 36 8.097 -6.927 -5.416 1.00 70.02 O ATOM 511 CB ASP A 36 7.985 -6.285 -2.334 1.00 41.53 C ATOM 512 CG ASP A 36 6.702 -5.612 -2.781 1.00 61.53 C ATOM 513 OD1 ASP A 36 5.687 -5.735 -2.064 1.00 53.32 O ATOM 514 OD2 ASP A 36 6.714 -4.963 -3.847 1.00 51.32 O ATOM 0 H ASP A 36 9.511 -8.020 -1.480 1.00 30.13 H new ATOM 0 HA ASP A 36 7.338 -8.120 -3.247 1.00 11.22 H new ATOM 0 HB2 ASP A 36 7.921 -6.513 -1.270 1.00 41.53 H new ATOM 0 HB3 ASP A 36 8.818 -5.594 -2.463 1.00 41.53 H new ATOM 520 N MET A 37 10.162 -7.300 -4.604 1.00 15.11 N ATOM 521 CA MET A 37 10.830 -7.002 -5.866 1.00 70.33 C ATOM 522 C MET A 37 10.567 -8.100 -6.893 1.00 14.33 C ATOM 523 O MET A 37 10.336 -7.819 -8.068 1.00 43.04 O ATOM 524 CB MET A 37 12.336 -6.845 -5.646 1.00 53.12 C ATOM 525 CG MET A 37 13.140 -6.829 -6.936 1.00 3.31 C ATOM 526 SD MET A 37 14.533 -5.686 -6.871 1.00 0.20 S ATOM 527 CE MET A 37 13.841 -4.260 -7.704 1.00 12.34 C ATOM 0 H MET A 37 10.791 -7.555 -3.843 1.00 15.11 H new ATOM 0 HA MET A 37 10.426 -6.065 -6.250 1.00 70.33 H new ATOM 0 HB2 MET A 37 12.521 -5.919 -5.101 1.00 53.12 H new ATOM 0 HB3 MET A 37 12.690 -7.662 -5.017 1.00 53.12 H new ATOM 0 HG2 MET A 37 13.509 -7.834 -7.142 1.00 3.31 H new ATOM 0 HG3 MET A 37 12.487 -6.553 -7.764 1.00 3.31 H new ATOM 0 HE1 MET A 37 14.585 -3.465 -7.743 1.00 12.34 H new ATOM 0 HE2 MET A 37 13.551 -4.536 -8.718 1.00 12.34 H new ATOM 0 HE3 MET A 37 12.965 -3.910 -7.159 1.00 12.34 H new ATOM 537 N GLN A 38 10.603 -9.349 -6.439 1.00 13.31 N ATOM 538 CA GLN A 38 10.369 -10.487 -7.319 1.00 34.53 C ATOM 539 C GLN A 38 8.999 -10.388 -7.985 1.00 22.02 C ATOM 540 O GLN A 38 8.781 -10.946 -9.060 1.00 43.55 O ATOM 541 CB GLN A 38 10.473 -11.796 -6.535 1.00 3.34 C ATOM 542 CG GLN A 38 10.033 -13.017 -7.325 1.00 34.23 C ATOM 543 CD GLN A 38 10.665 -14.299 -6.820 1.00 22.24 C ATOM 544 OE1 GLN A 38 11.325 -15.017 -7.571 1.00 61.14 O ATOM 545 NE2 GLN A 38 10.465 -14.593 -5.540 1.00 71.33 N ATOM 0 H GLN A 38 10.792 -9.598 -5.468 1.00 13.31 H new ATOM 0 HA GLN A 38 11.133 -10.475 -8.096 1.00 34.53 H new ATOM 0 HB2 GLN A 38 11.505 -11.935 -6.213 1.00 3.34 H new ATOM 0 HB3 GLN A 38 9.865 -11.719 -5.634 1.00 3.34 H new ATOM 0 HG2 GLN A 38 8.948 -13.107 -7.273 1.00 34.23 H new ATOM 0 HG3 GLN A 38 10.292 -12.878 -8.375 1.00 34.23 H new ATOM 0 HE21 GLN A 38 9.911 -13.969 -4.954 1.00 71.33 H new ATOM 0 HE22 GLN A 38 10.866 -15.443 -5.143 1.00 71.33 H new ATOM 554 N GLN A 39 8.082 -9.676 -7.339 1.00 23.44 N ATOM 555 CA GLN A 39 6.735 -9.505 -7.869 1.00 25.02 C ATOM 556 C GLN A 39 6.702 -8.410 -8.929 1.00 14.54 C ATOM 557 O GLN A 39 5.820 -8.389 -9.786 1.00 51.25 O ATOM 558 CB GLN A 39 5.759 -9.170 -6.739 1.00 40.24 C ATOM 559 CG GLN A 39 5.771 -10.181 -5.604 1.00 3.12 C ATOM 560 CD GLN A 39 5.145 -11.505 -5.995 1.00 60.12 C ATOM 561 OE1 GLN A 39 3.959 -11.737 -5.760 1.00 61.30 O ATOM 562 NE2 GLN A 39 5.941 -12.382 -6.595 1.00 23.25 N ATOM 0 H GLN A 39 8.247 -9.208 -6.448 1.00 23.44 H new ATOM 0 HA GLN A 39 6.432 -10.443 -8.334 1.00 25.02 H new ATOM 0 HB2 GLN A 39 6.003 -8.185 -6.340 1.00 40.24 H new ATOM 0 HB3 GLN A 39 4.751 -9.107 -7.148 1.00 40.24 H new ATOM 0 HG2 GLN A 39 6.799 -10.350 -5.284 1.00 3.12 H new ATOM 0 HG3 GLN A 39 5.235 -9.768 -4.749 1.00 3.12 H new ATOM 0 HE21 GLN A 39 6.918 -12.147 -6.770 1.00 23.25 H new ATOM 0 HE22 GLN A 39 5.575 -13.290 -6.881 1.00 23.25 H new ATOM 571 N ALA A 40 7.668 -7.499 -8.862 1.00 32.02 N ATOM 572 CA ALA A 40 7.749 -6.400 -9.817 1.00 23.43 C ATOM 573 C ALA A 40 7.946 -6.921 -11.236 1.00 54.12 C ATOM 574 O ALA A 40 7.616 -6.240 -12.207 1.00 33.42 O ATOM 575 CB ALA A 40 8.880 -5.455 -9.437 1.00 51.02 C ATOM 0 H ALA A 40 8.405 -7.500 -8.157 1.00 32.02 H new ATOM 0 HA ALA A 40 6.807 -5.853 -9.787 1.00 23.43 H new ATOM 0 HB1 ALA A 40 8.930 -4.639 -10.158 1.00 51.02 H new ATOM 0 HB2 ALA A 40 8.697 -5.050 -8.442 1.00 51.02 H new ATOM 0 HB3 ALA A 40 9.825 -5.999 -9.439 1.00 51.02 H new ATOM 581 N MET A 41 8.484 -8.131 -11.349 1.00 53.02 N ATOM 582 CA MET A 41 8.723 -8.742 -12.651 1.00 53.50 C ATOM 583 C MET A 41 7.420 -9.245 -13.264 1.00 23.04 C ATOM 584 O MET A 41 7.182 -9.083 -14.461 1.00 72.40 O ATOM 585 CB MET A 41 9.718 -9.896 -12.522 1.00 1.43 C ATOM 586 CG MET A 41 10.978 -9.529 -11.754 1.00 24.42 C ATOM 587 SD MET A 41 12.374 -10.595 -12.160 1.00 22.33 S ATOM 588 CE MET A 41 12.938 -9.848 -13.687 1.00 5.04 C ATOM 0 H MET A 41 8.763 -8.707 -10.555 1.00 53.02 H new ATOM 0 HA MET A 41 9.143 -7.981 -13.309 1.00 53.50 H new ATOM 0 HB2 MET A 41 9.229 -10.733 -12.023 1.00 1.43 H new ATOM 0 HB3 MET A 41 9.996 -10.238 -13.519 1.00 1.43 H new ATOM 0 HG2 MET A 41 11.242 -8.494 -11.970 1.00 24.42 H new ATOM 0 HG3 MET A 41 10.778 -9.591 -10.684 1.00 24.42 H new ATOM 0 HE1 MET A 41 13.801 -10.398 -14.064 1.00 5.04 H new ATOM 0 HE2 MET A 41 12.137 -9.880 -14.425 1.00 5.04 H new ATOM 0 HE3 MET A 41 13.221 -8.812 -13.502 1.00 5.04 H new ATOM 598 N LEU A 42 6.580 -9.855 -12.435 1.00 15.22 N ATOM 599 CA LEU A 42 5.300 -10.382 -12.895 1.00 73.33 C ATOM 600 C LEU A 42 4.311 -9.252 -13.168 1.00 61.50 C ATOM 601 O LEU A 42 3.271 -9.460 -13.793 1.00 23.31 O ATOM 602 CB LEU A 42 4.719 -11.344 -11.857 1.00 23.41 C ATOM 603 CG LEU A 42 5.113 -12.813 -12.009 1.00 24.42 C ATOM 604 CD1 LEU A 42 4.479 -13.411 -13.254 1.00 71.35 C ATOM 605 CD2 LEU A 42 6.628 -12.957 -12.057 1.00 43.32 C ATOM 0 H LEU A 42 6.762 -9.997 -11.441 1.00 15.22 H new ATOM 0 HA LEU A 42 5.472 -10.922 -13.826 1.00 73.33 H new ATOM 0 HB2 LEU A 42 5.026 -11.007 -10.867 1.00 23.41 H new ATOM 0 HB3 LEU A 42 3.632 -11.274 -11.895 1.00 23.41 H new ATOM 0 HG LEU A 42 4.743 -13.359 -11.141 1.00 24.42 H new ATOM 0 HD11 LEU A 42 4.771 -14.457 -13.345 1.00 71.35 H new ATOM 0 HD12 LEU A 42 3.394 -13.343 -13.178 1.00 71.35 H new ATOM 0 HD13 LEU A 42 4.816 -12.862 -14.133 1.00 71.35 H new ATOM 0 HD21 LEU A 42 6.890 -14.009 -12.165 1.00 43.32 H new ATOM 0 HD22 LEU A 42 7.020 -12.396 -12.905 1.00 43.32 H new ATOM 0 HD23 LEU A 42 7.060 -12.569 -11.135 1.00 43.32 H new ATOM 617 N THR A 43 4.645 -8.056 -12.696 1.00 15.13 N ATOM 618 CA THR A 43 3.788 -6.893 -12.889 1.00 51.12 C ATOM 619 C THR A 43 4.543 -5.761 -13.575 1.00 42.12 C ATOM 620 O THR A 43 4.524 -4.621 -13.116 1.00 5.44 O ATOM 621 CB THR A 43 3.225 -6.381 -11.549 1.00 43.45 C ATOM 622 OG1 THR A 43 2.399 -5.232 -11.772 1.00 44.41 O ATOM 623 CG2 THR A 43 4.351 -6.024 -10.591 1.00 44.43 C ATOM 0 H THR A 43 5.503 -7.867 -12.177 1.00 15.13 H new ATOM 0 HA THR A 43 2.962 -7.212 -13.524 1.00 51.12 H new ATOM 0 HB THR A 43 2.628 -7.176 -11.103 1.00 43.45 H new ATOM 0 HG1 THR A 43 2.935 -4.517 -12.174 1.00 44.41 H new ATOM 0 HG21 THR A 43 3.930 -5.665 -9.652 1.00 44.43 H new ATOM 0 HG22 THR A 43 4.961 -6.907 -10.401 1.00 44.43 H new ATOM 0 HG23 THR A 43 4.971 -5.243 -11.033 1.00 44.43 H new ATOM 631 N ASN A 44 5.207 -6.084 -14.681 1.00 13.02 N ATOM 632 CA ASN A 44 5.969 -5.094 -15.432 1.00 3.33 C ATOM 633 C ASN A 44 5.112 -3.872 -15.747 1.00 61.24 C ATOM 634 O ASN A 44 4.116 -3.967 -16.465 1.00 72.00 O ATOM 635 CB ASN A 44 6.503 -5.705 -16.729 1.00 50.30 C ATOM 636 CG ASN A 44 7.603 -4.869 -17.353 1.00 60.03 C ATOM 637 OD1 ASN A 44 7.395 -4.212 -18.373 1.00 11.02 O ATOM 638 ND2 ASN A 44 8.781 -4.891 -16.742 1.00 3.31 N ATOM 0 H ASN A 44 5.232 -7.024 -15.076 1.00 13.02 H new ATOM 0 HA ASN A 44 6.810 -4.777 -14.816 1.00 3.33 H new ATOM 0 HB2 ASN A 44 6.883 -6.706 -16.526 1.00 50.30 H new ATOM 0 HB3 ASN A 44 5.684 -5.812 -17.441 1.00 50.30 H new ATOM 0 HD21 ASN A 44 9.560 -4.349 -17.116 1.00 3.31 H new ATOM 0 HD22 ASN A 44 8.908 -5.450 -15.898 1.00 3.31 H new ATOM 718 N VAL A 49 0.187 2.758 -18.652 1.00 41.23 N ATOM 719 CA VAL A 49 -0.397 2.492 -17.344 1.00 21.05 C ATOM 720 C VAL A 49 -0.385 3.742 -16.471 1.00 52.30 C ATOM 721 O VAL A 49 -1.301 3.969 -15.680 1.00 11.45 O ATOM 722 CB VAL A 49 0.353 1.363 -16.614 1.00 22.44 C ATOM 723 CG1 VAL A 49 0.030 1.381 -15.127 1.00 3.11 C ATOM 724 CG2 VAL A 49 0.010 0.013 -17.225 1.00 71.10 C ATOM 0 HA VAL A 49 -1.428 2.182 -17.515 1.00 21.05 H new ATOM 0 HB VAL A 49 1.424 1.528 -16.731 1.00 22.44 H new ATOM 0 HG11 VAL A 49 0.569 0.576 -14.628 1.00 3.11 H new ATOM 0 HG12 VAL A 49 0.331 2.338 -14.701 1.00 3.11 H new ATOM 0 HG13 VAL A 49 -1.042 1.242 -14.986 1.00 3.11 H new ATOM 0 HG21 VAL A 49 0.549 -0.773 -16.696 1.00 71.10 H new ATOM 0 HG22 VAL A 49 -1.062 -0.163 -17.141 1.00 71.10 H new ATOM 0 HG23 VAL A 49 0.297 0.006 -18.276 1.00 71.10 H new ATOM 734 N LEU A 50 0.659 4.551 -16.621 1.00 75.31 N ATOM 735 CA LEU A 50 0.790 5.780 -15.847 1.00 43.24 C ATOM 736 C LEU A 50 -0.454 6.651 -15.992 1.00 50.21 C ATOM 737 O LEU A 50 -0.857 7.338 -15.053 1.00 2.32 O ATOM 738 CB LEU A 50 2.027 6.560 -16.298 1.00 62.23 C ATOM 739 CG LEU A 50 3.353 5.800 -16.250 1.00 50.41 C ATOM 740 CD1 LEU A 50 4.484 6.666 -16.783 1.00 2.22 C ATOM 741 CD2 LEU A 50 3.654 5.342 -14.830 1.00 73.53 C ATOM 0 H LEU A 50 1.426 4.378 -17.271 1.00 75.31 H new ATOM 0 HA LEU A 50 0.901 5.509 -14.797 1.00 43.24 H new ATOM 0 HB2 LEU A 50 1.864 6.902 -17.320 1.00 62.23 H new ATOM 0 HB3 LEU A 50 2.118 7.450 -15.675 1.00 62.23 H new ATOM 0 HG LEU A 50 3.268 4.918 -16.885 1.00 50.41 H new ATOM 0 HD11 LEU A 50 5.420 6.109 -16.741 1.00 2.22 H new ATOM 0 HD12 LEU A 50 4.273 6.945 -17.816 1.00 2.22 H new ATOM 0 HD13 LEU A 50 4.570 7.566 -16.175 1.00 2.22 H new ATOM 0 HD21 LEU A 50 4.601 4.803 -14.815 1.00 73.53 H new ATOM 0 HD22 LEU A 50 3.720 6.210 -14.174 1.00 73.53 H new ATOM 0 HD23 LEU A 50 2.857 4.685 -14.483 1.00 73.53 H new ATOM 753 N LYS A 51 -1.060 6.616 -17.173 1.00 41.11 N ATOM 754 CA LYS A 51 -2.261 7.399 -17.442 1.00 5.13 C ATOM 755 C LYS A 51 -3.311 7.173 -16.358 1.00 1.30 C ATOM 756 O LYS A 51 -4.048 8.089 -15.994 1.00 1.02 O ATOM 757 CB LYS A 51 -2.839 7.033 -18.811 1.00 21.34 C ATOM 758 CG LYS A 51 -2.010 7.543 -19.976 1.00 62.12 C ATOM 759 CD LYS A 51 -2.390 8.965 -20.351 1.00 75.23 C ATOM 760 CE LYS A 51 -1.615 9.984 -19.530 1.00 20.41 C ATOM 761 NZ LYS A 51 -1.357 11.234 -20.297 1.00 73.23 N ATOM 0 H LYS A 51 -0.739 6.053 -17.961 1.00 41.11 H new ATOM 0 HA LYS A 51 -1.984 8.453 -17.442 1.00 5.13 H new ATOM 0 HB2 LYS A 51 -2.923 5.949 -18.883 1.00 21.34 H new ATOM 0 HB3 LYS A 51 -3.848 7.437 -18.890 1.00 21.34 H new ATOM 0 HG2 LYS A 51 -0.952 7.505 -19.715 1.00 62.12 H new ATOM 0 HG3 LYS A 51 -2.150 6.889 -20.837 1.00 62.12 H new ATOM 0 HD2 LYS A 51 -2.196 9.127 -21.411 1.00 75.23 H new ATOM 0 HD3 LYS A 51 -3.459 9.110 -20.197 1.00 75.23 H new ATOM 0 HE2 LYS A 51 -2.174 10.222 -18.625 1.00 20.41 H new ATOM 0 HE3 LYS A 51 -0.667 9.550 -19.214 1.00 20.41 H new ATOM 0 HZ1 LYS A 51 -0.827 11.903 -19.703 1.00 73.23 H new ATOM 0 HZ2 LYS A 51 -0.802 11.011 -21.148 1.00 73.23 H new ATOM 0 HZ3 LYS A 51 -2.262 11.662 -20.577 1.00 73.23 H new ATOM 775 N ALA A 52 -3.371 5.948 -15.846 1.00 0.31 N ATOM 776 CA ALA A 52 -4.328 5.604 -14.801 1.00 34.20 C ATOM 777 C ALA A 52 -3.931 6.224 -13.466 1.00 51.30 C ATOM 778 O ALA A 52 -4.779 6.718 -12.722 1.00 53.34 O ATOM 779 CB ALA A 52 -4.444 4.093 -14.669 1.00 30.41 C ATOM 0 H ALA A 52 -2.769 5.178 -16.137 1.00 0.31 H new ATOM 0 HA ALA A 52 -5.299 6.009 -15.085 1.00 34.20 H new ATOM 0 HB1 ALA A 52 -5.162 3.850 -13.885 1.00 30.41 H new ATOM 0 HB2 ALA A 52 -4.783 3.670 -15.615 1.00 30.41 H new ATOM 0 HB3 ALA A 52 -3.471 3.674 -14.412 1.00 30.41 H new ATOM 785 N LEU A 53 -2.637 6.195 -13.167 1.00 53.30 N ATOM 786 CA LEU A 53 -2.127 6.755 -11.920 1.00 62.34 C ATOM 787 C LEU A 53 -2.437 8.245 -11.826 1.00 5.44 C ATOM 788 O LEU A 53 -2.440 8.820 -10.737 1.00 71.11 O ATOM 789 CB LEU A 53 -0.617 6.528 -11.817 1.00 15.53 C ATOM 790 CG LEU A 53 -0.132 5.104 -12.090 1.00 3.34 C ATOM 791 CD1 LEU A 53 1.387 5.040 -12.045 1.00 1.11 C ATOM 792 CD2 LEU A 53 -0.738 4.132 -11.087 1.00 55.43 C ATOM 0 H LEU A 53 -1.922 5.790 -13.771 1.00 53.30 H new ATOM 0 HA LEU A 53 -2.622 6.247 -11.092 1.00 62.34 H new ATOM 0 HB2 LEU A 53 -0.120 7.200 -12.517 1.00 15.53 H new ATOM 0 HB3 LEU A 53 -0.294 6.815 -10.816 1.00 15.53 H new ATOM 0 HG LEU A 53 -0.459 4.815 -13.089 1.00 3.34 H new ATOM 0 HD11 LEU A 53 1.714 4.019 -12.242 1.00 1.11 H new ATOM 0 HD12 LEU A 53 1.802 5.706 -12.802 1.00 1.11 H new ATOM 0 HD13 LEU A 53 1.735 5.349 -11.059 1.00 1.11 H new ATOM 0 HD21 LEU A 53 -0.382 3.123 -11.297 1.00 55.43 H new ATOM 0 HD22 LEU A 53 -0.442 4.419 -10.078 1.00 55.43 H new ATOM 0 HD23 LEU A 53 -1.825 4.157 -11.167 1.00 55.43 H new ATOM 804 N GLU A 54 -2.700 8.864 -12.973 1.00 24.43 N ATOM 805 CA GLU A 54 -3.012 10.287 -13.017 1.00 43.21 C ATOM 806 C GLU A 54 -4.331 10.577 -12.307 1.00 14.53 C ATOM 807 O GLU A 54 -4.449 11.554 -11.567 1.00 4.44 O ATOM 808 CB GLU A 54 -3.084 10.772 -14.466 1.00 65.33 C ATOM 809 CG GLU A 54 -1.788 10.582 -15.237 1.00 4.12 C ATOM 810 CD GLU A 54 -0.682 11.499 -14.750 1.00 64.44 C ATOM 811 OE1 GLU A 54 -0.863 12.732 -14.814 1.00 73.03 O ATOM 812 OE2 GLU A 54 0.366 10.983 -14.307 1.00 30.50 O ATOM 0 H GLU A 54 -2.703 8.403 -13.883 1.00 24.43 H new ATOM 0 HA GLU A 54 -2.215 10.823 -12.501 1.00 43.21 H new ATOM 0 HB2 GLU A 54 -3.884 10.238 -14.979 1.00 65.33 H new ATOM 0 HB3 GLU A 54 -3.350 11.829 -14.474 1.00 65.33 H new ATOM 0 HG2 GLU A 54 -1.463 9.546 -15.145 1.00 4.12 H new ATOM 0 HG3 GLU A 54 -1.969 10.767 -16.296 1.00 4.12 H new ATOM 820 N ARG A 55 -5.321 9.722 -12.539 1.00 53.22 N ATOM 821 CA ARG A 55 -6.633 9.886 -11.923 1.00 63.13 C ATOM 822 C ARG A 55 -6.609 9.439 -10.465 1.00 61.01 C ATOM 823 O ARG A 55 -7.323 9.986 -9.624 1.00 42.23 O ATOM 824 CB ARG A 55 -7.686 9.090 -12.696 1.00 65.41 C ATOM 825 CG ARG A 55 -9.014 8.969 -11.967 1.00 31.10 C ATOM 826 CD ARG A 55 -9.593 10.336 -11.633 1.00 45.43 C ATOM 827 NE ARG A 55 -11.005 10.435 -11.989 1.00 63.13 N ATOM 828 CZ ARG A 55 -11.773 11.471 -11.672 1.00 44.45 C ATOM 829 NH1 ARG A 55 -11.265 12.493 -10.995 1.00 64.21 N ATOM 830 NH2 ARG A 55 -13.049 11.488 -12.032 1.00 42.43 N ATOM 0 H ARG A 55 -5.240 8.908 -13.149 1.00 53.22 H new ATOM 0 HA ARG A 55 -6.892 10.944 -11.955 1.00 63.13 H new ATOM 0 HB2 ARG A 55 -7.853 9.567 -13.662 1.00 65.41 H new ATOM 0 HB3 ARG A 55 -7.299 8.091 -12.897 1.00 65.41 H new ATOM 0 HG2 ARG A 55 -9.720 8.415 -12.585 1.00 31.10 H new ATOM 0 HG3 ARG A 55 -8.876 8.397 -11.049 1.00 31.10 H new ATOM 0 HD2 ARG A 55 -9.474 10.529 -10.567 1.00 45.43 H new ATOM 0 HD3 ARG A 55 -9.031 11.106 -12.161 1.00 45.43 H new ATOM 0 HE ARG A 55 -11.425 9.666 -12.510 1.00 63.13 H new ATOM 0 HH11 ARG A 55 -10.284 12.483 -10.717 1.00 64.21 H new ATOM 0 HH12 ARG A 55 -11.856 13.288 -10.752 1.00 64.21 H new ATOM 0 HH21 ARG A 55 -13.442 10.704 -12.553 1.00 42.43 H new ATOM 0 HH22 ARG A 55 -13.637 12.285 -11.788 1.00 42.43 H new ATOM 844 N THR A 56 -5.784 8.438 -10.172 1.00 42.41 N ATOM 845 CA THR A 56 -5.668 7.916 -8.816 1.00 32.04 C ATOM 846 C THR A 56 -4.895 8.877 -7.921 1.00 33.43 C ATOM 847 O THR A 56 -5.299 9.148 -6.790 1.00 34.31 O ATOM 848 CB THR A 56 -4.969 6.544 -8.801 1.00 21.00 C ATOM 849 OG1 THR A 56 -3.570 6.704 -9.061 1.00 63.23 O ATOM 850 CG2 THR A 56 -5.579 5.613 -9.839 1.00 10.51 C ATOM 0 H THR A 56 -5.187 7.973 -10.856 1.00 42.41 H new ATOM 0 HA THR A 56 -6.682 7.804 -8.433 1.00 32.04 H new ATOM 0 HB THR A 56 -5.107 6.102 -7.814 1.00 21.00 H new ATOM 0 HG1 THR A 56 -3.086 5.914 -8.743 1.00 63.23 H new ATOM 0 HG21 THR A 56 -5.069 4.650 -9.809 1.00 10.51 H new ATOM 0 HG22 THR A 56 -6.637 5.469 -9.622 1.00 10.51 H new ATOM 0 HG23 THR A 56 -5.469 6.052 -10.831 1.00 10.51 H new ATOM 858 N ARG A 57 -3.781 9.391 -8.433 1.00 72.43 N ATOM 859 CA ARG A 57 -2.951 10.322 -7.678 1.00 74.42 C ATOM 860 C ARG A 57 -3.778 11.502 -7.177 1.00 3.54 C ATOM 861 O ARG A 57 -3.436 12.128 -6.174 1.00 54.21 O ATOM 862 CB ARG A 57 -1.796 10.825 -8.544 1.00 52.24 C ATOM 863 CG ARG A 57 -2.242 11.697 -9.707 1.00 60.52 C ATOM 864 CD ARG A 57 -1.133 12.635 -10.158 1.00 65.42 C ATOM 865 NE ARG A 57 0.149 11.946 -10.285 1.00 33.13 N ATOM 866 CZ ARG A 57 1.322 12.569 -10.286 1.00 52.24 C ATOM 867 NH1 ARG A 57 1.375 13.889 -10.169 1.00 74.32 N ATOM 868 NH2 ARG A 57 2.445 11.873 -10.406 1.00 3.53 N ATOM 0 H ARG A 57 -3.433 9.178 -9.368 1.00 72.43 H new ATOM 0 HA ARG A 57 -2.545 9.793 -6.816 1.00 74.42 H new ATOM 0 HB2 ARG A 57 -1.105 11.392 -7.920 1.00 52.24 H new ATOM 0 HB3 ARG A 57 -1.245 9.969 -8.933 1.00 52.24 H new ATOM 0 HG2 ARG A 57 -2.547 11.065 -10.541 1.00 60.52 H new ATOM 0 HG3 ARG A 57 -3.115 12.279 -9.413 1.00 60.52 H new ATOM 0 HD2 ARG A 57 -1.402 13.080 -11.116 1.00 65.42 H new ATOM 0 HD3 ARG A 57 -1.036 13.452 -9.443 1.00 65.42 H new ATOM 0 HE ARG A 57 0.143 10.930 -10.378 1.00 33.13 H new ATOM 0 HH11 ARG A 57 0.514 14.428 -10.078 1.00 74.32 H new ATOM 0 HH12 ARG A 57 2.277 14.365 -10.170 1.00 74.32 H new ATOM 0 HH21 ARG A 57 2.408 10.858 -10.498 1.00 3.53 H new ATOM 0 HH22 ARG A 57 3.345 12.353 -10.407 1.00 3.53 H new ATOM 882 N GLN A 58 -4.864 11.800 -7.882 1.00 31.44 N ATOM 883 CA GLN A 58 -5.738 12.906 -7.508 1.00 3.11 C ATOM 884 C GLN A 58 -6.426 12.629 -6.175 1.00 1.40 C ATOM 885 O GLN A 58 -6.610 13.535 -5.360 1.00 33.23 O ATOM 886 CB GLN A 58 -6.785 13.146 -8.595 1.00 73.13 C ATOM 887 CG GLN A 58 -6.217 13.761 -9.864 1.00 65.21 C ATOM 888 CD GLN A 58 -5.819 15.213 -9.682 1.00 32.24 C ATOM 889 OE1 GLN A 58 -4.620 15.437 -9.159 1.00 42.14 O flip ATOM 890 NE2 GLN A 58 -6.583 16.122 -10.006 1.00 42.41 N flip ATOM 0 H GLN A 58 -5.160 11.291 -8.715 1.00 31.44 H new ATOM 0 HA GLN A 58 -5.125 13.801 -7.401 1.00 3.11 H new ATOM 0 HB2 GLN A 58 -7.262 12.198 -8.843 1.00 73.13 H new ATOM 0 HB3 GLN A 58 -7.562 13.801 -8.201 1.00 73.13 H new ATOM 0 HG2 GLN A 58 -5.347 13.187 -10.183 1.00 65.21 H new ATOM 0 HG3 GLN A 58 -6.957 13.688 -10.661 1.00 65.21 H new ATOM 0 HE21 GLN A 58 -7.496 15.903 -10.405 1.00 42.41 H new ATOM 0 HE22 GLN A 58 -6.303 17.094 -9.876 1.00 42.41 H new ATOM 899 N LEU A 59 -6.803 11.375 -5.958 1.00 31.34 N ATOM 900 CA LEU A 59 -7.471 10.979 -4.724 1.00 2.15 C ATOM 901 C LEU A 59 -6.466 10.452 -3.705 1.00 23.22 C ATOM 902 O LEU A 59 -6.843 9.857 -2.695 1.00 53.35 O ATOM 903 CB LEU A 59 -8.529 9.912 -5.012 1.00 2.42 C ATOM 904 CG LEU A 59 -9.455 10.188 -6.196 1.00 52.15 C ATOM 905 CD1 LEU A 59 -9.438 9.021 -7.172 1.00 11.23 C ATOM 906 CD2 LEU A 59 -10.872 10.461 -5.714 1.00 4.22 C ATOM 0 H LEU A 59 -6.657 10.614 -6.621 1.00 31.34 H new ATOM 0 HA LEU A 59 -7.957 11.860 -4.305 1.00 2.15 H new ATOM 0 HB2 LEU A 59 -8.021 8.963 -5.187 1.00 2.42 H new ATOM 0 HB3 LEU A 59 -9.141 9.786 -4.119 1.00 2.42 H new ATOM 0 HG LEU A 59 -9.092 11.075 -6.716 1.00 52.15 H new ATOM 0 HD11 LEU A 59 -10.103 9.236 -8.008 1.00 11.23 H new ATOM 0 HD12 LEU A 59 -8.424 8.872 -7.544 1.00 11.23 H new ATOM 0 HD13 LEU A 59 -9.774 8.117 -6.664 1.00 11.23 H new ATOM 0 HD21 LEU A 59 -11.517 10.655 -6.571 1.00 4.22 H new ATOM 0 HD22 LEU A 59 -11.244 9.594 -5.169 1.00 4.22 H new ATOM 0 HD23 LEU A 59 -10.871 11.330 -5.056 1.00 4.22 H new ATOM 918 N ASP A 60 -5.184 10.676 -3.976 1.00 11.31 N ATOM 919 CA ASP A 60 -4.124 10.227 -3.081 1.00 21.04 C ATOM 920 C ASP A 60 -4.112 8.705 -2.974 1.00 60.33 C ATOM 921 O ASP A 60 -4.546 8.140 -1.970 1.00 64.30 O ATOM 922 CB ASP A 60 -4.301 10.846 -1.694 1.00 1.31 C ATOM 923 CG ASP A 60 -3.431 12.071 -1.492 1.00 33.14 C ATOM 924 OD1 ASP A 60 -3.717 13.113 -2.120 1.00 31.45 O ATOM 925 OD2 ASP A 60 -2.465 11.989 -0.706 1.00 21.01 O ATOM 0 H ASP A 60 -4.854 11.166 -4.808 1.00 11.31 H new ATOM 0 HA ASP A 60 -3.170 10.552 -3.496 1.00 21.04 H new ATOM 0 HB2 ASP A 60 -5.347 11.119 -1.552 1.00 1.31 H new ATOM 0 HB3 ASP A 60 -4.059 10.103 -0.934 1.00 1.31 H new ATOM 931 N ILE A 61 -3.613 8.048 -4.016 1.00 71.41 N ATOM 932 CA ILE A 61 -3.544 6.592 -4.039 1.00 13.05 C ATOM 933 C ILE A 61 -2.153 6.113 -4.438 1.00 3.14 C ATOM 934 O ILE A 61 -1.570 6.571 -5.420 1.00 43.02 O ATOM 935 CB ILE A 61 -4.578 5.995 -5.011 1.00 41.02 C ATOM 936 CG1 ILE A 61 -5.964 6.588 -4.745 1.00 4.40 C ATOM 937 CG2 ILE A 61 -4.611 4.479 -4.884 1.00 34.11 C ATOM 938 CD1 ILE A 61 -6.997 6.198 -5.778 1.00 61.43 C ATOM 0 H ILE A 61 -3.251 8.501 -4.855 1.00 71.41 H new ATOM 0 HA ILE A 61 -3.767 6.250 -3.028 1.00 13.05 H new ATOM 0 HB ILE A 61 -4.285 6.249 -6.030 1.00 41.02 H new ATOM 0 HG12 ILE A 61 -6.306 6.265 -3.762 1.00 4.40 H new ATOM 0 HG13 ILE A 61 -5.885 7.675 -4.714 1.00 4.40 H new ATOM 0 HG21 ILE A 61 -5.347 4.072 -5.577 1.00 34.11 H new ATOM 0 HG22 ILE A 61 -3.627 4.073 -5.119 1.00 34.11 H new ATOM 0 HG23 ILE A 61 -4.883 4.205 -3.865 1.00 34.11 H new ATOM 0 HD11 ILE A 61 -7.954 6.654 -5.525 1.00 61.43 H new ATOM 0 HD12 ILE A 61 -6.678 6.545 -6.761 1.00 61.43 H new ATOM 0 HD13 ILE A 61 -7.105 5.113 -5.793 1.00 61.43 H new ATOM 950 N PRO A 62 -1.606 5.168 -3.658 1.00 70.32 N ATOM 951 CA PRO A 62 -0.277 4.604 -3.911 1.00 3.42 C ATOM 952 C PRO A 62 -0.246 3.730 -5.161 1.00 2.13 C ATOM 953 O PRO A 62 -1.149 2.924 -5.388 1.00 44.31 O ATOM 954 CB PRO A 62 -0.005 3.762 -2.662 1.00 71.25 C ATOM 955 CG PRO A 62 -1.356 3.408 -2.143 1.00 14.01 C ATOM 956 CD PRO A 62 -2.244 4.577 -2.470 1.00 31.05 C ATOM 0 HA PRO A 62 0.468 5.380 -4.089 1.00 3.42 H new ATOM 0 HB2 PRO A 62 0.573 2.870 -2.904 1.00 71.25 H new ATOM 0 HB3 PRO A 62 0.569 4.322 -1.924 1.00 71.25 H new ATOM 0 HG2 PRO A 62 -1.726 2.495 -2.609 1.00 14.01 H new ATOM 0 HG3 PRO A 62 -1.327 3.229 -1.068 1.00 14.01 H new ATOM 0 HD2 PRO A 62 -3.266 4.260 -2.679 1.00 31.05 H new ATOM 0 HD3 PRO A 62 -2.293 5.288 -1.645 1.00 31.05 H new ATOM 964 N ASP A 63 0.797 3.896 -5.966 1.00 73.43 N ATOM 965 CA ASP A 63 0.946 3.120 -7.193 1.00 13.24 C ATOM 966 C ASP A 63 1.201 1.649 -6.878 1.00 31.33 C ATOM 967 O ASP A 63 1.176 0.801 -7.769 1.00 11.14 O ATOM 968 CB ASP A 63 2.091 3.679 -8.038 1.00 4.12 C ATOM 969 CG ASP A 63 1.951 5.167 -8.291 1.00 74.34 C ATOM 970 OD1 ASP A 63 2.958 5.802 -8.672 1.00 15.35 O ATOM 971 OD2 ASP A 63 0.834 5.697 -8.112 1.00 64.10 O ATOM 0 H ASP A 63 1.552 4.560 -5.792 1.00 73.43 H new ATOM 0 HA ASP A 63 0.017 3.196 -7.758 1.00 13.24 H new ATOM 0 HB2 ASP A 63 3.038 3.487 -7.534 1.00 4.12 H new ATOM 0 HB3 ASP A 63 2.125 3.153 -8.992 1.00 4.12 H new ATOM 977 N GLU A 64 1.446 1.356 -5.604 1.00 70.53 N ATOM 978 CA GLU A 64 1.707 -0.013 -5.173 1.00 63.04 C ATOM 979 C GLU A 64 0.419 -0.830 -5.147 1.00 11.11 C ATOM 980 O GLU A 64 0.447 -2.058 -5.232 1.00 61.13 O ATOM 981 CB GLU A 64 2.357 -0.020 -3.788 1.00 73.10 C ATOM 982 CG GLU A 64 3.493 0.978 -3.644 1.00 64.42 C ATOM 983 CD GLU A 64 4.382 0.682 -2.451 1.00 31.51 C ATOM 984 OE1 GLU A 64 3.936 0.915 -1.308 1.00 42.32 O ATOM 985 OE2 GLU A 64 5.522 0.217 -2.660 1.00 30.53 O ATOM 0 H GLU A 64 1.469 2.047 -4.854 1.00 70.53 H new ATOM 0 HA GLU A 64 2.391 -0.468 -5.889 1.00 63.04 H new ATOM 0 HB2 GLU A 64 1.597 0.197 -3.038 1.00 73.10 H new ATOM 0 HB3 GLU A 64 2.735 -1.021 -3.578 1.00 73.10 H new ATOM 0 HG2 GLU A 64 4.096 0.970 -4.552 1.00 64.42 H new ATOM 0 HG3 GLU A 64 3.080 1.982 -3.544 1.00 64.42 H new ATOM 993 N LYS A 65 -0.710 -0.139 -5.029 1.00 21.52 N ATOM 994 CA LYS A 65 -2.010 -0.799 -4.991 1.00 55.24 C ATOM 995 C LYS A 65 -2.799 -0.518 -6.266 1.00 61.24 C ATOM 996 O LYS A 65 -3.666 -1.301 -6.658 1.00 2.31 O ATOM 997 CB LYS A 65 -2.808 -0.331 -3.772 1.00 45.34 C ATOM 998 CG LYS A 65 -3.504 1.004 -3.976 1.00 61.42 C ATOM 999 CD LYS A 65 -4.113 1.519 -2.683 1.00 23.24 C ATOM 1000 CE LYS A 65 -5.212 0.597 -2.178 1.00 53.22 C ATOM 1001 NZ LYS A 65 -4.977 0.172 -0.770 1.00 14.52 N ATOM 0 H LYS A 65 -0.751 0.878 -4.958 1.00 21.52 H new ATOM 0 HA LYS A 65 -1.842 -1.873 -4.917 1.00 55.24 H new ATOM 0 HB2 LYS A 65 -3.554 -1.086 -3.525 1.00 45.34 H new ATOM 0 HB3 LYS A 65 -2.137 -0.254 -2.917 1.00 45.34 H new ATOM 0 HG2 LYS A 65 -2.790 1.733 -4.358 1.00 61.42 H new ATOM 0 HG3 LYS A 65 -4.284 0.897 -4.729 1.00 61.42 H new ATOM 0 HD2 LYS A 65 -3.336 1.610 -1.924 1.00 23.24 H new ATOM 0 HD3 LYS A 65 -4.520 2.517 -2.844 1.00 23.24 H new ATOM 0 HE2 LYS A 65 -6.173 1.106 -2.248 1.00 53.22 H new ATOM 0 HE3 LYS A 65 -5.270 -0.283 -2.818 1.00 53.22 H new ATOM 0 HZ1 LYS A 65 -5.669 -0.558 -0.508 1.00 14.52 H new ATOM 0 HZ2 LYS A 65 -4.016 -0.214 -0.680 1.00 14.52 H new ATOM 0 HZ3 LYS A 65 -5.082 0.991 -0.138 1.00 14.52 H new ATOM 1015 N THR A 66 -2.492 0.603 -6.912 1.00 32.31 N ATOM 1016 CA THR A 66 -3.172 0.986 -8.143 1.00 51.41 C ATOM 1017 C THR A 66 -2.670 0.169 -9.327 1.00 24.11 C ATOM 1018 O THR A 66 -3.440 -0.195 -10.215 1.00 13.31 O ATOM 1019 CB THR A 66 -2.978 2.484 -8.448 1.00 55.01 C ATOM 1020 OG1 THR A 66 -3.224 3.260 -7.270 1.00 64.53 O ATOM 1021 CG2 THR A 66 -3.912 2.934 -9.562 1.00 35.02 C ATOM 0 H THR A 66 -1.777 1.261 -6.603 1.00 32.31 H new ATOM 0 HA THR A 66 -4.233 0.787 -7.993 1.00 51.41 H new ATOM 0 HB THR A 66 -1.949 2.636 -8.774 1.00 55.01 H new ATOM 0 HG1 THR A 66 -2.501 3.114 -6.625 1.00 64.53 H new ATOM 0 HG21 THR A 66 -3.757 3.995 -9.760 1.00 35.02 H new ATOM 0 HG22 THR A 66 -3.703 2.362 -10.466 1.00 35.02 H new ATOM 0 HG23 THR A 66 -4.946 2.768 -9.259 1.00 35.02 H new ATOM 1029 N MET A 67 -1.372 -0.120 -9.333 1.00 14.53 N ATOM 1030 CA MET A 67 -0.767 -0.897 -10.408 1.00 32.14 C ATOM 1031 C MET A 67 -1.573 -2.163 -10.684 1.00 5.31 C ATOM 1032 O MET A 67 -2.027 -2.406 -11.801 1.00 73.30 O ATOM 1033 CB MET A 67 0.675 -1.264 -10.051 1.00 61.42 C ATOM 1034 CG MET A 67 1.698 -0.250 -10.537 1.00 34.10 C ATOM 1035 SD MET A 67 1.593 0.048 -12.312 1.00 33.14 S ATOM 1036 CE MET A 67 1.085 -1.567 -12.897 1.00 15.11 C ATOM 0 H MET A 67 -0.720 0.172 -8.605 1.00 14.53 H new ATOM 0 HA MET A 67 -0.766 -0.285 -11.310 1.00 32.14 H new ATOM 0 HB2 MET A 67 0.759 -1.362 -8.969 1.00 61.42 H new ATOM 0 HB3 MET A 67 0.910 -2.239 -10.479 1.00 61.42 H new ATOM 0 HG2 MET A 67 1.552 0.690 -10.006 1.00 34.10 H new ATOM 0 HG3 MET A 67 2.699 -0.603 -10.291 1.00 34.10 H new ATOM 0 HE1 MET A 67 1.440 -1.713 -13.917 1.00 15.11 H new ATOM 0 HE2 MET A 67 1.508 -2.337 -12.252 1.00 15.11 H new ATOM 0 HE3 MET A 67 -0.003 -1.635 -12.878 1.00 15.11 H new ATOM 1046 N PRO A 68 -1.756 -2.987 -9.642 1.00 61.12 N ATOM 1047 CA PRO A 68 -2.507 -4.242 -9.748 1.00 14.04 C ATOM 1048 C PRO A 68 -4.001 -4.006 -9.949 1.00 24.55 C ATOM 1049 O PRO A 68 -4.734 -4.913 -10.347 1.00 22.14 O ATOM 1050 CB PRO A 68 -2.250 -4.923 -8.402 1.00 33.44 C ATOM 1051 CG PRO A 68 -1.946 -3.808 -7.463 1.00 71.13 C ATOM 1052 CD PRO A 68 -1.242 -2.760 -8.280 1.00 72.15 C ATOM 0 HA PRO A 68 -2.194 -4.835 -10.607 1.00 14.04 H new ATOM 0 HB2 PRO A 68 -3.121 -5.491 -8.073 1.00 33.44 H new ATOM 0 HB3 PRO A 68 -1.418 -5.624 -8.466 1.00 33.44 H new ATOM 0 HG2 PRO A 68 -2.859 -3.410 -7.021 1.00 71.13 H new ATOM 0 HG3 PRO A 68 -1.317 -4.150 -6.641 1.00 71.13 H new ATOM 0 HD2 PRO A 68 -1.470 -1.754 -7.927 1.00 72.15 H new ATOM 0 HD3 PRO A 68 -0.159 -2.875 -8.235 1.00 72.15 H new ATOM 1060 N VAL A 69 -4.446 -2.785 -9.673 1.00 41.10 N ATOM 1061 CA VAL A 69 -5.852 -2.431 -9.825 1.00 61.32 C ATOM 1062 C VAL A 69 -6.181 -2.101 -11.277 1.00 22.52 C ATOM 1063 O VAL A 69 -7.066 -2.713 -11.878 1.00 62.23 O ATOM 1064 CB VAL A 69 -6.227 -1.229 -8.940 1.00 14.41 C ATOM 1065 CG1 VAL A 69 -7.514 -0.584 -9.431 1.00 15.14 C ATOM 1066 CG2 VAL A 69 -6.356 -1.657 -7.486 1.00 14.11 C ATOM 0 H VAL A 69 -3.853 -2.024 -9.343 1.00 41.10 H new ATOM 0 HA VAL A 69 -6.433 -3.299 -9.511 1.00 61.32 H new ATOM 0 HB VAL A 69 -5.430 -0.489 -9.007 1.00 14.41 H new ATOM 0 HG11 VAL A 69 -7.763 0.264 -8.793 1.00 15.14 H new ATOM 0 HG12 VAL A 69 -7.380 -0.239 -10.456 1.00 15.14 H new ATOM 0 HG13 VAL A 69 -8.323 -1.314 -9.396 1.00 15.14 H new ATOM 0 HG21 VAL A 69 -6.622 -0.794 -6.875 1.00 14.11 H new ATOM 0 HG22 VAL A 69 -7.132 -2.417 -7.398 1.00 14.11 H new ATOM 0 HG23 VAL A 69 -5.406 -2.067 -7.142 1.00 14.11 H new ATOM 1076 N LEU A 70 -5.464 -1.132 -11.835 1.00 61.54 N ATOM 1077 CA LEU A 70 -5.679 -0.721 -13.218 1.00 32.31 C ATOM 1078 C LEU A 70 -5.462 -1.890 -14.174 1.00 71.01 C ATOM 1079 O LEU A 70 -6.250 -2.107 -15.095 1.00 4.04 O ATOM 1080 CB LEU A 70 -4.740 0.430 -13.580 1.00 31.02 C ATOM 1081 CG LEU A 70 -3.243 0.129 -13.491 1.00 11.44 C ATOM 1082 CD1 LEU A 70 -2.698 -0.273 -14.852 1.00 61.02 C ATOM 1083 CD2 LEU A 70 -2.489 1.333 -12.946 1.00 11.51 C ATOM 0 H LEU A 70 -4.729 -0.616 -11.351 1.00 61.54 H new ATOM 0 HA LEU A 70 -6.711 -0.384 -13.315 1.00 32.31 H new ATOM 0 HB2 LEU A 70 -4.966 0.750 -14.597 1.00 31.02 H new ATOM 0 HB3 LEU A 70 -4.960 1.272 -12.924 1.00 31.02 H new ATOM 0 HG LEU A 70 -3.099 -0.705 -12.805 1.00 11.44 H new ATOM 0 HD11 LEU A 70 -1.632 -0.483 -14.769 1.00 61.02 H new ATOM 0 HD12 LEU A 70 -3.218 -1.165 -15.203 1.00 61.02 H new ATOM 0 HD13 LEU A 70 -2.853 0.540 -15.561 1.00 61.02 H new ATOM 0 HD21 LEU A 70 -1.425 1.101 -12.889 1.00 11.51 H new ATOM 0 HD22 LEU A 70 -2.640 2.186 -13.607 1.00 11.51 H new ATOM 0 HD23 LEU A 70 -2.861 1.575 -11.950 1.00 11.51 H new ATOM 1095 N MET A 71 -4.389 -2.641 -13.947 1.00 73.31 N ATOM 1096 CA MET A 71 -4.070 -3.790 -14.787 1.00 10.03 C ATOM 1097 C MET A 71 -5.208 -4.806 -14.773 1.00 21.23 C ATOM 1098 O MET A 71 -5.352 -5.605 -15.699 1.00 41.52 O ATOM 1099 CB MET A 71 -2.775 -4.451 -14.313 1.00 23.35 C ATOM 1100 CG MET A 71 -2.959 -5.346 -13.097 1.00 23.24 C ATOM 1101 SD MET A 71 -3.192 -7.078 -13.538 1.00 64.13 S ATOM 1102 CE MET A 71 -1.592 -7.757 -13.101 1.00 13.13 C ATOM 0 H MET A 71 -3.726 -2.475 -13.189 1.00 73.31 H new ATOM 0 HA MET A 71 -3.935 -3.436 -15.809 1.00 10.03 H new ATOM 0 HB2 MET A 71 -2.358 -5.042 -15.129 1.00 23.35 H new ATOM 0 HB3 MET A 71 -2.046 -3.676 -14.076 1.00 23.35 H new ATOM 0 HG2 MET A 71 -2.088 -5.254 -12.448 1.00 23.24 H new ATOM 0 HG3 MET A 71 -3.820 -5.002 -12.525 1.00 23.24 H new ATOM 0 HE1 MET A 71 -1.579 -8.825 -13.317 1.00 13.13 H new ATOM 0 HE2 MET A 71 -0.815 -7.260 -13.682 1.00 13.13 H new ATOM 0 HE3 MET A 71 -1.408 -7.599 -12.038 1.00 13.13 H new ATOM 1112 N LYS A 72 -6.014 -4.770 -13.717 1.00 54.13 N ATOM 1113 CA LYS A 72 -7.141 -5.687 -13.583 1.00 3.43 C ATOM 1114 C LYS A 72 -8.257 -5.322 -14.556 1.00 33.33 C ATOM 1115 O LYS A 72 -9.007 -6.189 -15.009 1.00 3.31 O ATOM 1116 CB LYS A 72 -7.673 -5.666 -12.148 1.00 21.41 C ATOM 1117 CG LYS A 72 -8.645 -6.793 -11.844 1.00 2.30 C ATOM 1118 CD LYS A 72 -7.921 -8.038 -11.361 1.00 71.34 C ATOM 1119 CE LYS A 72 -7.517 -8.933 -12.523 1.00 5.14 C ATOM 1120 NZ LYS A 72 -7.335 -10.348 -12.096 1.00 3.11 N ATOM 0 H LYS A 72 -5.908 -4.116 -12.941 1.00 54.13 H new ATOM 0 HA LYS A 72 -6.791 -6.692 -13.820 1.00 3.43 H new ATOM 0 HB2 LYS A 72 -6.832 -5.726 -11.457 1.00 21.41 H new ATOM 0 HB3 LYS A 72 -8.168 -4.712 -11.967 1.00 21.41 H new ATOM 0 HG2 LYS A 72 -9.356 -6.467 -11.085 1.00 2.30 H new ATOM 0 HG3 LYS A 72 -9.221 -7.030 -12.739 1.00 2.30 H new ATOM 0 HD2 LYS A 72 -7.034 -7.749 -10.797 1.00 71.34 H new ATOM 0 HD3 LYS A 72 -8.565 -8.593 -10.679 1.00 71.34 H new ATOM 0 HE2 LYS A 72 -8.279 -8.884 -13.301 1.00 5.14 H new ATOM 0 HE3 LYS A 72 -6.590 -8.564 -12.961 1.00 5.14 H new ATOM 0 HZ1 LYS A 72 -7.060 -10.925 -12.916 1.00 3.11 H new ATOM 0 HZ2 LYS A 72 -6.591 -10.399 -11.372 1.00 3.11 H new ATOM 0 HZ3 LYS A 72 -8.227 -10.709 -11.702 1.00 3.11 H new ATOM 1134 N LEU A 73 -8.362 -4.037 -14.874 1.00 72.55 N ATOM 1135 CA LEU A 73 -9.388 -3.558 -15.796 1.00 21.52 C ATOM 1136 C LEU A 73 -9.038 -3.921 -17.235 1.00 61.12 C ATOM 1137 O LEU A 73 -9.873 -4.441 -17.976 1.00 10.50 O ATOM 1138 CB LEU A 73 -9.552 -2.043 -15.664 1.00 64.50 C ATOM 1139 CG LEU A 73 -9.429 -1.475 -14.250 1.00 42.22 C ATOM 1140 CD1 LEU A 73 -9.552 0.041 -14.272 1.00 22.32 C ATOM 1141 CD2 LEU A 73 -10.483 -2.084 -13.337 1.00 72.32 C ATOM 0 H LEU A 73 -7.750 -3.308 -14.508 1.00 72.55 H new ATOM 0 HA LEU A 73 -10.330 -4.042 -15.538 1.00 21.52 H new ATOM 0 HB2 LEU A 73 -8.805 -1.561 -16.294 1.00 64.50 H new ATOM 0 HB3 LEU A 73 -10.529 -1.768 -16.061 1.00 64.50 H new ATOM 0 HG LEU A 73 -8.445 -1.734 -13.859 1.00 42.22 H new ATOM 0 HD11 LEU A 73 -9.462 0.428 -13.257 1.00 22.32 H new ATOM 0 HD12 LEU A 73 -8.760 0.461 -14.892 1.00 22.32 H new ATOM 0 HD13 LEU A 73 -10.522 0.321 -14.683 1.00 22.32 H new ATOM 0 HD21 LEU A 73 -10.380 -1.668 -12.335 1.00 72.32 H new ATOM 0 HD22 LEU A 73 -11.476 -1.856 -13.725 1.00 72.32 H new ATOM 0 HD23 LEU A 73 -10.349 -3.165 -13.297 1.00 72.32 H new ATOM 1153 N LEU A 74 -7.798 -3.645 -17.625 1.00 22.34 N ATOM 1154 CA LEU A 74 -7.336 -3.944 -18.975 1.00 53.02 C ATOM 1155 C LEU A 74 -7.426 -5.439 -19.263 1.00 21.40 C ATOM 1156 O LEU A 74 -7.521 -5.854 -20.418 1.00 35.14 O ATOM 1157 CB LEU A 74 -5.895 -3.463 -19.162 1.00 35.24 C ATOM 1158 CG LEU A 74 -5.709 -1.955 -19.329 1.00 41.43 C ATOM 1159 CD1 LEU A 74 -6.535 -1.440 -20.497 1.00 31.23 C ATOM 1160 CD2 LEU A 74 -6.082 -1.225 -18.047 1.00 32.15 C ATOM 0 H LEU A 74 -7.095 -3.214 -17.025 1.00 22.34 H new ATOM 0 HA LEU A 74 -7.982 -3.418 -19.678 1.00 53.02 H new ATOM 0 HB2 LEU A 74 -5.310 -3.788 -18.302 1.00 35.24 H new ATOM 0 HB3 LEU A 74 -5.478 -3.960 -20.038 1.00 35.24 H new ATOM 0 HG LEU A 74 -4.658 -1.761 -19.541 1.00 41.43 H new ATOM 0 HD11 LEU A 74 -6.389 -0.365 -20.600 1.00 31.23 H new ATOM 0 HD12 LEU A 74 -6.219 -1.938 -21.414 1.00 31.23 H new ATOM 0 HD13 LEU A 74 -7.590 -1.648 -20.316 1.00 31.23 H new ATOM 0 HD21 LEU A 74 -5.943 -0.153 -18.185 1.00 32.15 H new ATOM 0 HD22 LEU A 74 -7.125 -1.427 -17.803 1.00 32.15 H new ATOM 0 HD23 LEU A 74 -5.445 -1.571 -17.233 1.00 32.15 H new ATOM 1172 N GLU A 75 -7.396 -6.244 -18.205 1.00 62.11 N ATOM 1173 CA GLU A 75 -7.476 -7.693 -18.345 1.00 25.03 C ATOM 1174 C GLU A 75 -8.746 -8.099 -19.086 1.00 0.12 C ATOM 1175 O GLU A 75 -8.692 -8.819 -20.082 1.00 62.14 O ATOM 1176 CB GLU A 75 -7.438 -8.364 -16.970 1.00 45.42 C ATOM 1177 CG GLU A 75 -6.063 -8.342 -16.321 1.00 34.30 C ATOM 1178 CD GLU A 75 -5.431 -9.718 -16.251 1.00 5.12 C ATOM 1179 OE1 GLU A 75 -4.745 -10.105 -17.221 1.00 43.41 O ATOM 1180 OE2 GLU A 75 -5.620 -10.409 -15.227 1.00 40.44 O ATOM 0 H GLU A 75 -7.317 -5.917 -17.242 1.00 62.11 H new ATOM 0 HA GLU A 75 -6.615 -8.024 -18.926 1.00 25.03 H new ATOM 0 HB2 GLU A 75 -8.150 -7.866 -16.312 1.00 45.42 H new ATOM 0 HB3 GLU A 75 -7.767 -9.398 -17.070 1.00 45.42 H new ATOM 0 HG2 GLU A 75 -5.410 -7.674 -16.883 1.00 34.30 H new ATOM 0 HG3 GLU A 75 -6.147 -7.933 -15.314 1.00 34.30 H new ATOM 1188 N GLU A 76 -9.888 -7.632 -18.590 1.00 63.30 N ATOM 1189 CA GLU A 76 -11.172 -7.948 -19.204 1.00 73.20 C ATOM 1190 C GLU A 76 -11.398 -7.108 -20.458 1.00 24.33 C ATOM 1191 O GLU A 76 -12.078 -7.535 -21.390 1.00 61.10 O ATOM 1192 CB GLU A 76 -12.310 -7.713 -18.209 1.00 22.44 C ATOM 1193 CG GLU A 76 -12.048 -8.307 -16.834 1.00 14.12 C ATOM 1194 CD GLU A 76 -11.620 -9.760 -16.898 1.00 55.41 C ATOM 1195 OE1 GLU A 76 -12.506 -10.634 -17.014 1.00 45.53 O ATOM 1196 OE2 GLU A 76 -10.402 -10.024 -16.831 1.00 53.35 O ATOM 0 H GLU A 76 -9.950 -7.034 -17.766 1.00 63.30 H new ATOM 0 HA GLU A 76 -11.159 -9.000 -19.489 1.00 73.20 H new ATOM 0 HB2 GLU A 76 -12.476 -6.641 -18.107 1.00 22.44 H new ATOM 0 HB3 GLU A 76 -13.228 -8.141 -18.612 1.00 22.44 H new ATOM 0 HG2 GLU A 76 -11.274 -7.726 -16.333 1.00 14.12 H new ATOM 0 HG3 GLU A 76 -12.951 -8.224 -16.229 1.00 14.12 H new ATOM 1204 N ALA A 77 -10.821 -5.911 -20.472 1.00 73.13 N ATOM 1205 CA ALA A 77 -10.956 -5.011 -21.611 1.00 33.03 C ATOM 1206 C ALA A 77 -9.926 -5.329 -22.688 1.00 24.43 C ATOM 1207 O ALA A 77 -9.818 -4.619 -23.687 1.00 33.33 O ATOM 1208 CB ALA A 77 -10.821 -3.564 -21.159 1.00 44.41 C ATOM 0 H ALA A 77 -10.256 -5.542 -19.707 1.00 73.13 H new ATOM 0 HA ALA A 77 -11.947 -5.155 -22.041 1.00 33.03 H new ATOM 0 HB1 ALA A 77 -10.924 -2.903 -22.020 1.00 44.41 H new ATOM 0 HB2 ALA A 77 -11.600 -3.336 -20.431 1.00 44.41 H new ATOM 0 HB3 ALA A 77 -9.843 -3.415 -20.702 1.00 44.41 H new ATOM 1214 N GLY A 78 -9.168 -6.402 -22.478 1.00 34.54 N ATOM 1215 CA GLY A 78 -8.156 -6.795 -23.440 1.00 43.43 C ATOM 1216 C GLY A 78 -7.178 -5.677 -23.741 1.00 71.12 C ATOM 1217 O GLY A 78 -6.551 -5.660 -24.800 1.00 23.11 O ATOM 0 H GLY A 78 -9.237 -7.005 -21.659 1.00 34.54 H new ATOM 0 HA2 GLY A 78 -7.611 -7.658 -23.057 1.00 43.43 H new ATOM 0 HA3 GLY A 78 -8.640 -7.109 -24.365 1.00 43.43 H new ATOM 1221 N GLY A 79 -7.049 -4.738 -22.809 1.00 42.32 N ATOM 1222 CA GLY A 79 -6.139 -3.623 -23.000 1.00 35.11 C ATOM 1223 C GLY A 79 -6.800 -2.450 -23.697 1.00 44.42 C ATOM 1224 O GLY A 79 -6.197 -1.812 -24.558 1.00 61.35 O ATOM 0 H GLY A 79 -7.558 -4.729 -21.925 1.00 42.32 H new ATOM 0 HA2 GLY A 79 -5.758 -3.299 -22.032 1.00 35.11 H new ATOM 0 HA3 GLY A 79 -5.281 -3.954 -23.586 1.00 35.11 H new ATOM 1228 N ASN A 80 -8.044 -2.166 -23.324 1.00 51.33 N ATOM 1229 CA ASN A 80 -8.787 -1.062 -23.921 1.00 71.52 C ATOM 1230 C ASN A 80 -9.097 0.011 -22.882 1.00 24.41 C ATOM 1231 O ASN A 80 -9.990 -0.154 -22.053 1.00 14.24 O ATOM 1232 CB ASN A 80 -10.087 -1.575 -24.544 1.00 13.11 C ATOM 1233 CG ASN A 80 -10.465 -0.815 -25.801 1.00 64.01 C ATOM 1234 OD1 ASN A 80 -10.875 0.437 -25.636 1.00 31.20 O flip ATOM 1235 ND2 ASN A 80 -10.388 -1.348 -26.908 1.00 0.13 N flip ATOM 0 H ASN A 80 -8.558 -2.685 -22.612 1.00 51.33 H new ATOM 0 HA ASN A 80 -8.167 -0.619 -24.700 1.00 71.52 H new ATOM 0 HB2 ASN A 80 -9.980 -2.634 -24.781 1.00 13.11 H new ATOM 0 HB3 ASN A 80 -10.894 -1.491 -23.816 1.00 13.11 H new ATOM 0 HD21 ASN A 80 -10.068 -2.313 -26.988 1.00 0.13 H new ATOM 0 HD22 ASN A 80 -10.645 -0.825 -27.745 1.00 0.13 H new ATOM 1242 N TRP A 81 -8.351 1.109 -22.935 1.00 22.32 N ATOM 1243 CA TRP A 81 -8.545 2.210 -21.998 1.00 12.31 C ATOM 1244 C TRP A 81 -9.706 3.098 -22.435 1.00 65.20 C ATOM 1245 O TRP A 81 -10.277 3.829 -21.627 1.00 75.12 O ATOM 1246 CB TRP A 81 -7.266 3.041 -21.883 1.00 31.24 C ATOM 1247 CG TRP A 81 -6.081 2.246 -21.425 1.00 61.34 C ATOM 1248 CD1 TRP A 81 -5.305 1.421 -22.189 1.00 24.34 C ATOM 1249 CD2 TRP A 81 -5.539 2.199 -20.102 1.00 21.45 C ATOM 1250 NE1 TRP A 81 -4.312 0.864 -21.418 1.00 40.01 N ATOM 1251 CE2 TRP A 81 -4.434 1.326 -20.134 1.00 51.31 C ATOM 1252 CE3 TRP A 81 -5.878 2.811 -18.892 1.00 2.23 C ATOM 1253 CZ2 TRP A 81 -3.669 1.052 -19.004 1.00 22.41 C ATOM 1254 CZ3 TRP A 81 -5.119 2.537 -17.771 1.00 5.05 C ATOM 1255 CH2 TRP A 81 -4.024 1.664 -17.833 1.00 44.20 C ATOM 0 H TRP A 81 -7.607 1.261 -23.616 1.00 22.32 H new ATOM 0 HA TRP A 81 -8.783 1.786 -21.022 1.00 12.31 H new ATOM 0 HB2 TRP A 81 -7.043 3.487 -22.852 1.00 31.24 H new ATOM 0 HB3 TRP A 81 -7.436 3.861 -21.186 1.00 31.24 H new ATOM 0 HD1 TRP A 81 -5.450 1.234 -23.243 1.00 24.34 H new ATOM 0 HE1 TRP A 81 -3.600 0.213 -21.748 1.00 40.01 H new ATOM 0 HE3 TRP A 81 -6.719 3.486 -18.835 1.00 2.23 H new ATOM 0 HZ2 TRP A 81 -2.825 0.380 -19.050 1.00 22.41 H new ATOM 0 HZ3 TRP A 81 -5.374 3.003 -16.831 1.00 5.05 H new ATOM 0 HH2 TRP A 81 -3.449 1.471 -16.939 1.00 44.20 H new ATOM 1266 N SER A 82 -10.048 3.028 -23.717 1.00 62.21 N ATOM 1267 CA SER A 82 -11.138 3.829 -24.262 1.00 53.41 C ATOM 1268 C SER A 82 -12.407 3.653 -23.434 1.00 1.53 C ATOM 1269 O SER A 82 -13.018 4.631 -22.998 1.00 62.42 O ATOM 1270 CB SER A 82 -11.407 3.440 -25.717 1.00 75.31 C ATOM 1271 OG SER A 82 -11.877 4.550 -26.463 1.00 31.53 O ATOM 0 H SER A 82 -9.586 2.425 -24.398 1.00 62.21 H new ATOM 0 HA SER A 82 -10.841 4.877 -24.223 1.00 53.41 H new ATOM 0 HB2 SER A 82 -10.493 3.055 -26.169 1.00 75.31 H new ATOM 0 HB3 SER A 82 -12.143 2.637 -25.752 1.00 75.31 H new ATOM 0 HG SER A 82 -12.040 4.276 -27.390 1.00 31.53 H new ATOM 1277 N TYR A 83 -12.799 2.402 -23.221 1.00 4.55 N ATOM 1278 CA TYR A 83 -13.997 2.097 -22.447 1.00 4.21 C ATOM 1279 C TYR A 83 -13.730 2.240 -20.951 1.00 65.32 C ATOM 1280 O TYR A 83 -14.551 2.784 -20.213 1.00 4.45 O ATOM 1281 CB TYR A 83 -14.482 0.680 -22.757 1.00 2.54 C ATOM 1282 CG TYR A 83 -15.379 0.099 -21.686 1.00 42.53 C ATOM 1283 CD1 TYR A 83 -14.847 -0.619 -20.622 1.00 14.41 C ATOM 1284 CD2 TYR A 83 -16.756 0.271 -21.738 1.00 1.21 C ATOM 1285 CE1 TYR A 83 -15.662 -1.151 -19.643 1.00 34.42 C ATOM 1286 CE2 TYR A 83 -17.579 -0.257 -20.762 1.00 55.51 C ATOM 1287 CZ TYR A 83 -17.028 -0.968 -19.717 1.00 2.00 C ATOM 1288 OH TYR A 83 -17.843 -1.495 -18.742 1.00 74.51 O ATOM 0 H TYR A 83 -12.305 1.582 -23.573 1.00 4.55 H new ATOM 0 HA TYR A 83 -14.773 2.809 -22.729 1.00 4.21 H new ATOM 0 HB2 TYR A 83 -15.020 0.688 -23.705 1.00 2.54 H new ATOM 0 HB3 TYR A 83 -13.617 0.029 -22.887 1.00 2.54 H new ATOM 0 HD1 TYR A 83 -13.778 -0.763 -20.560 1.00 14.41 H new ATOM 0 HD2 TYR A 83 -17.191 0.827 -22.555 1.00 1.21 H new ATOM 0 HE1 TYR A 83 -15.233 -1.708 -18.823 1.00 34.42 H new ATOM 0 HE2 TYR A 83 -18.648 -0.114 -20.817 1.00 55.51 H new ATOM 0 HH TYR A 83 -18.777 -1.275 -18.942 1.00 74.51 H new ATOM 1298 N ILE A 84 -12.576 1.747 -20.513 1.00 11.32 N ATOM 1299 CA ILE A 84 -12.200 1.821 -19.107 1.00 72.41 C ATOM 1300 C ILE A 84 -12.166 3.267 -18.622 1.00 25.33 C ATOM 1301 O ILE A 84 -12.328 3.537 -17.432 1.00 1.44 O ATOM 1302 CB ILE A 84 -10.824 1.174 -18.857 1.00 54.33 C ATOM 1303 CG1 ILE A 84 -10.875 -0.322 -19.172 1.00 10.41 C ATOM 1304 CG2 ILE A 84 -10.383 1.404 -17.420 1.00 11.32 C ATOM 1305 CD1 ILE A 84 -9.527 -1.003 -19.085 1.00 74.52 C ATOM 0 H ILE A 84 -11.886 1.293 -21.111 1.00 11.32 H new ATOM 0 HA ILE A 84 -12.957 1.271 -18.548 1.00 72.41 H new ATOM 0 HB ILE A 84 -10.094 1.641 -19.519 1.00 54.33 H new ATOM 0 HG12 ILE A 84 -11.564 -0.808 -18.481 1.00 10.41 H new ATOM 0 HG13 ILE A 84 -11.279 -0.461 -20.175 1.00 10.41 H new ATOM 0 HG21 ILE A 84 -9.409 0.941 -17.260 1.00 11.32 H new ATOM 0 HG22 ILE A 84 -10.312 2.475 -17.228 1.00 11.32 H new ATOM 0 HG23 ILE A 84 -11.112 0.962 -16.741 1.00 11.32 H new ATOM 0 HD11 ILE A 84 -9.638 -2.061 -19.320 1.00 74.52 H new ATOM 0 HD12 ILE A 84 -8.841 -0.543 -19.796 1.00 74.52 H new ATOM 0 HD13 ILE A 84 -9.130 -0.896 -18.076 1.00 74.52 H new ATOM 1317 N LYS A 85 -11.955 4.191 -19.551 1.00 44.44 N ATOM 1318 CA LYS A 85 -11.902 5.610 -19.221 1.00 40.35 C ATOM 1319 C LYS A 85 -13.236 6.288 -19.517 1.00 52.51 C ATOM 1320 O LYS A 85 -13.380 7.500 -19.348 1.00 1.33 O ATOM 1321 CB LYS A 85 -10.783 6.297 -20.008 1.00 53.41 C ATOM 1322 CG LYS A 85 -11.240 6.870 -21.339 1.00 64.22 C ATOM 1323 CD LYS A 85 -10.121 6.847 -22.369 1.00 13.20 C ATOM 1324 CE LYS A 85 -8.842 7.456 -21.815 1.00 70.20 C ATOM 1325 NZ LYS A 85 -9.074 8.812 -21.246 1.00 53.40 N ATOM 0 H LYS A 85 -11.818 3.983 -20.540 1.00 44.44 H new ATOM 0 HA LYS A 85 -11.697 5.701 -18.154 1.00 40.35 H new ATOM 0 HB2 LYS A 85 -10.363 7.099 -19.401 1.00 53.41 H new ATOM 0 HB3 LYS A 85 -9.982 5.580 -20.186 1.00 53.41 H new ATOM 0 HG2 LYS A 85 -12.090 6.297 -21.710 1.00 64.22 H new ATOM 0 HG3 LYS A 85 -11.584 7.894 -21.197 1.00 64.22 H new ATOM 0 HD2 LYS A 85 -9.931 5.819 -22.679 1.00 13.20 H new ATOM 0 HD3 LYS A 85 -10.432 7.396 -23.258 1.00 13.20 H new ATOM 0 HE2 LYS A 85 -8.434 6.803 -21.043 1.00 70.20 H new ATOM 0 HE3 LYS A 85 -8.096 7.518 -22.608 1.00 70.20 H new ATOM 0 HZ1 LYS A 85 -8.249 9.415 -21.438 1.00 53.40 H new ATOM 0 HZ2 LYS A 85 -9.919 9.232 -21.683 1.00 53.40 H new ATOM 0 HZ3 LYS A 85 -9.216 8.738 -20.218 1.00 53.40 H new ATOM 1339 N LEU A 86 -14.210 5.500 -19.958 1.00 65.01 N ATOM 1340 CA LEU A 86 -15.534 6.023 -20.275 1.00 42.54 C ATOM 1341 C LEU A 86 -16.144 6.729 -19.069 1.00 23.10 C ATOM 1342 O LEU A 86 -17.025 7.576 -19.213 1.00 14.30 O ATOM 1343 CB LEU A 86 -16.453 4.892 -20.738 1.00 14.01 C ATOM 1344 CG LEU A 86 -17.821 5.316 -21.277 1.00 44.32 C ATOM 1345 CD1 LEU A 86 -17.847 5.224 -22.795 1.00 14.43 C ATOM 1346 CD2 LEU A 86 -18.922 4.460 -20.670 1.00 42.12 C ATOM 0 H LEU A 86 -14.108 4.496 -20.104 1.00 65.01 H new ATOM 0 HA LEU A 86 -15.427 6.749 -21.081 1.00 42.54 H new ATOM 0 HB2 LEU A 86 -15.938 4.327 -21.515 1.00 14.01 H new ATOM 0 HB3 LEU A 86 -16.610 4.212 -19.901 1.00 14.01 H new ATOM 0 HG LEU A 86 -17.997 6.353 -20.993 1.00 44.32 H new ATOM 0 HD11 LEU A 86 -18.827 5.529 -23.161 1.00 14.43 H new ATOM 0 HD12 LEU A 86 -17.083 5.880 -23.212 1.00 14.43 H new ATOM 0 HD13 LEU A 86 -17.649 4.197 -23.101 1.00 14.43 H new ATOM 0 HD21 LEU A 86 -19.888 4.776 -21.065 1.00 42.12 H new ATOM 0 HD22 LEU A 86 -18.751 3.414 -20.923 1.00 42.12 H new ATOM 0 HD23 LEU A 86 -18.917 4.576 -19.586 1.00 42.12 H new ATOM 1358 N ASP A 87 -15.669 6.374 -17.880 1.00 50.21 N ATOM 1359 CA ASP A 87 -16.165 6.977 -16.648 1.00 70.41 C ATOM 1360 C ASP A 87 -15.017 7.542 -15.819 1.00 11.44 C ATOM 1361 O ASP A 87 -15.119 7.661 -14.598 1.00 71.21 O ATOM 1362 CB ASP A 87 -16.942 5.945 -15.829 1.00 34.35 C ATOM 1363 CG ASP A 87 -17.753 5.006 -16.699 1.00 35.03 C ATOM 1364 OD1 ASP A 87 -18.953 5.282 -16.914 1.00 4.20 O ATOM 1365 OD2 ASP A 87 -17.189 3.995 -17.168 1.00 11.25 O ATOM 0 H ASP A 87 -14.942 5.672 -17.743 1.00 50.21 H new ATOM 0 HA ASP A 87 -16.833 7.796 -16.916 1.00 70.41 H new ATOM 0 HB2 ASP A 87 -16.244 5.365 -15.226 1.00 34.35 H new ATOM 0 HB3 ASP A 87 -17.608 6.461 -15.138 1.00 34.35 H new ATOM 1371 N ASN A 88 -13.924 7.891 -16.490 1.00 70.45 N ATOM 1372 CA ASN A 88 -12.755 8.443 -15.815 1.00 21.55 C ATOM 1373 C ASN A 88 -12.113 7.403 -14.901 1.00 70.32 C ATOM 1374 O ASN A 88 -11.691 7.716 -13.789 1.00 5.35 O ATOM 1375 CB ASN A 88 -13.146 9.680 -15.003 1.00 61.53 C ATOM 1376 CG ASN A 88 -12.114 10.786 -15.102 1.00 31.43 C ATOM 1377 OD1 ASN A 88 -12.455 11.953 -15.290 1.00 31.10 O ATOM 1378 ND2 ASN A 88 -10.843 10.422 -14.974 1.00 15.43 N ATOM 0 H ASN A 88 -13.824 7.801 -17.501 1.00 70.45 H new ATOM 0 HA ASN A 88 -12.029 8.730 -16.576 1.00 21.55 H new ATOM 0 HB2 ASN A 88 -14.108 10.052 -15.354 1.00 61.53 H new ATOM 0 HB3 ASN A 88 -13.275 9.399 -13.958 1.00 61.53 H new ATOM 0 HD21 ASN A 88 -10.104 11.122 -15.031 1.00 15.43 H new ATOM 0 HD22 ASN A 88 -10.606 9.442 -14.819 1.00 15.43 H new ATOM 1385 N TYR A 89 -12.042 6.166 -15.380 1.00 45.24 N ATOM 1386 CA TYR A 89 -11.452 5.080 -14.607 1.00 34.22 C ATOM 1387 C TYR A 89 -12.221 4.856 -13.308 1.00 75.24 C ATOM 1388 O TYR A 89 -11.629 4.613 -12.256 1.00 74.41 O ATOM 1389 CB TYR A 89 -9.985 5.382 -14.299 1.00 4.33 C ATOM 1390 CG TYR A 89 -9.144 5.619 -15.532 1.00 41.40 C ATOM 1391 CD1 TYR A 89 -9.446 4.993 -16.735 1.00 23.53 C ATOM 1392 CD2 TYR A 89 -8.047 6.471 -15.496 1.00 22.31 C ATOM 1393 CE1 TYR A 89 -8.679 5.205 -17.864 1.00 63.13 C ATOM 1394 CE2 TYR A 89 -7.275 6.691 -16.620 1.00 24.10 C ATOM 1395 CZ TYR A 89 -7.594 6.055 -17.802 1.00 14.05 C ATOM 1396 OH TYR A 89 -6.830 6.271 -18.925 1.00 64.02 O ATOM 0 H TYR A 89 -12.386 5.891 -16.300 1.00 45.24 H new ATOM 0 HA TYR A 89 -11.510 4.170 -15.204 1.00 34.22 H new ATOM 0 HB2 TYR A 89 -9.931 6.262 -13.658 1.00 4.33 H new ATOM 0 HB3 TYR A 89 -9.562 4.550 -13.735 1.00 4.33 H new ATOM 0 HD1 TYR A 89 -10.296 4.329 -16.788 1.00 23.53 H new ATOM 0 HD2 TYR A 89 -7.793 6.970 -14.572 1.00 22.31 H new ATOM 0 HE1 TYR A 89 -8.927 4.708 -18.790 1.00 63.13 H new ATOM 0 HE2 TYR A 89 -6.426 7.357 -16.574 1.00 24.10 H new ATOM 0 HH TYR A 89 -6.384 5.437 -19.183 1.00 64.02 H new ATOM 1406 N THR A 90 -13.545 4.940 -13.390 1.00 20.14 N ATOM 1407 CA THR A 90 -14.396 4.749 -12.223 1.00 34.42 C ATOM 1408 C THR A 90 -14.054 3.451 -11.499 1.00 43.14 C ATOM 1409 O THR A 90 -14.190 3.355 -10.280 1.00 41.01 O ATOM 1410 CB THR A 90 -15.888 4.728 -12.612 1.00 65.53 C ATOM 1411 OG1 THR A 90 -16.307 6.036 -13.016 1.00 64.30 O ATOM 1412 CG2 THR A 90 -16.743 4.252 -11.448 1.00 34.10 C ATOM 0 H THR A 90 -14.051 5.139 -14.253 1.00 20.14 H new ATOM 0 HA THR A 90 -14.213 5.593 -11.558 1.00 34.42 H new ATOM 0 HB THR A 90 -16.015 4.034 -13.443 1.00 65.53 H new ATOM 0 HG1 THR A 90 -15.545 6.521 -13.396 1.00 64.30 H new ATOM 0 HG21 THR A 90 -17.792 4.245 -11.746 1.00 34.10 H new ATOM 0 HG22 THR A 90 -16.440 3.245 -11.162 1.00 34.10 H new ATOM 0 HG23 THR A 90 -16.611 4.924 -10.600 1.00 34.10 H new ATOM 1420 N ALA A 91 -13.608 2.456 -12.259 1.00 24.24 N ATOM 1421 CA ALA A 91 -13.242 1.165 -11.689 1.00 32.54 C ATOM 1422 C ALA A 91 -12.217 1.328 -10.571 1.00 42.53 C ATOM 1423 O ALA A 91 -12.250 0.607 -9.574 1.00 22.41 O ATOM 1424 CB ALA A 91 -12.702 0.243 -12.772 1.00 34.24 C ATOM 0 H ALA A 91 -13.491 2.519 -13.270 1.00 24.24 H new ATOM 0 HA ALA A 91 -14.139 0.718 -11.261 1.00 32.54 H new ATOM 0 HB1 ALA A 91 -12.433 -0.717 -12.332 1.00 34.24 H new ATOM 0 HB2 ALA A 91 -13.466 0.091 -13.535 1.00 34.24 H new ATOM 0 HB3 ALA A 91 -11.820 0.694 -13.227 1.00 34.24 H new ATOM 1430 N LEU A 92 -11.307 2.280 -10.746 1.00 4.05 N ATOM 1431 CA LEU A 92 -10.271 2.539 -9.751 1.00 63.33 C ATOM 1432 C LEU A 92 -10.878 3.061 -8.455 1.00 4.51 C ATOM 1433 O LEU A 92 -10.383 2.773 -7.364 1.00 53.34 O ATOM 1434 CB LEU A 92 -9.255 3.544 -10.295 1.00 44.41 C ATOM 1435 CG LEU A 92 -9.620 5.020 -10.134 1.00 11.43 C ATOM 1436 CD1 LEU A 92 -9.120 5.551 -8.799 1.00 11.23 C ATOM 1437 CD2 LEU A 92 -9.049 5.840 -11.282 1.00 15.53 C ATOM 0 H LEU A 92 -11.265 2.885 -11.566 1.00 4.05 H new ATOM 0 HA LEU A 92 -9.763 1.598 -9.537 1.00 63.33 H new ATOM 0 HB2 LEU A 92 -8.300 3.370 -9.799 1.00 44.41 H new ATOM 0 HB3 LEU A 92 -9.105 3.341 -11.355 1.00 44.41 H new ATOM 0 HG LEU A 92 -10.706 5.109 -10.155 1.00 11.43 H new ATOM 0 HD11 LEU A 92 -9.389 6.603 -8.702 1.00 11.23 H new ATOM 0 HD12 LEU A 92 -9.576 4.984 -7.988 1.00 11.23 H new ATOM 0 HD13 LEU A 92 -8.036 5.448 -8.749 1.00 11.23 H new ATOM 0 HD21 LEU A 92 -9.319 6.888 -11.150 1.00 15.53 H new ATOM 0 HD22 LEU A 92 -7.963 5.744 -11.293 1.00 15.53 H new ATOM 0 HD23 LEU A 92 -9.455 5.477 -12.226 1.00 15.53 H new ATOM 1449 N VAL A 93 -11.955 3.831 -8.579 1.00 62.05 N ATOM 1450 CA VAL A 93 -12.633 4.392 -7.417 1.00 63.11 C ATOM 1451 C VAL A 93 -13.234 3.294 -6.548 1.00 33.02 C ATOM 1452 O VAL A 93 -13.036 3.270 -5.333 1.00 72.31 O ATOM 1453 CB VAL A 93 -13.747 5.370 -7.835 1.00 21.03 C ATOM 1454 CG1 VAL A 93 -14.664 5.668 -6.659 1.00 11.24 C ATOM 1455 CG2 VAL A 93 -13.148 6.652 -8.393 1.00 15.11 C ATOM 0 H VAL A 93 -12.377 4.080 -9.474 1.00 62.05 H new ATOM 0 HA VAL A 93 -11.881 4.934 -6.843 1.00 63.11 H new ATOM 0 HB VAL A 93 -14.342 4.903 -8.620 1.00 21.03 H new ATOM 0 HG11 VAL A 93 -15.445 6.361 -6.973 1.00 11.24 H new ATOM 0 HG12 VAL A 93 -15.120 4.742 -6.309 1.00 11.24 H new ATOM 0 HG13 VAL A 93 -14.086 6.116 -5.851 1.00 11.24 H new ATOM 0 HG21 VAL A 93 -13.949 7.332 -8.683 1.00 15.11 H new ATOM 0 HG22 VAL A 93 -12.528 7.126 -7.631 1.00 15.11 H new ATOM 0 HG23 VAL A 93 -12.536 6.419 -9.265 1.00 15.11 H new ATOM 1465 N ASP A 94 -13.971 2.385 -7.179 1.00 2.02 N ATOM 1466 CA ASP A 94 -14.601 1.282 -6.464 1.00 73.13 C ATOM 1467 C ASP A 94 -13.571 0.225 -6.078 1.00 12.20 C ATOM 1468 O ASP A 94 -13.723 -0.464 -5.070 1.00 44.31 O ATOM 1469 CB ASP A 94 -15.699 0.652 -7.322 1.00 71.51 C ATOM 1470 CG ASP A 94 -16.707 -0.124 -6.496 1.00 24.22 C ATOM 1471 OD1 ASP A 94 -17.509 0.515 -5.783 1.00 50.25 O ATOM 1472 OD2 ASP A 94 -16.693 -1.371 -6.562 1.00 10.41 O ATOM 0 H ASP A 94 -14.146 2.391 -8.184 1.00 2.02 H new ATOM 0 HA ASP A 94 -15.046 1.680 -5.552 1.00 73.13 H new ATOM 0 HB2 ASP A 94 -16.215 1.435 -7.878 1.00 71.51 H new ATOM 0 HB3 ASP A 94 -15.245 -0.014 -8.056 1.00 71.51 H new ATOM 1478 N ALA A 95 -12.524 0.104 -6.887 1.00 31.21 N ATOM 1479 CA ALA A 95 -11.468 -0.869 -6.629 1.00 54.43 C ATOM 1480 C ALA A 95 -10.609 -0.444 -5.443 1.00 3.33 C ATOM 1481 O ALA A 95 -10.473 -1.183 -4.467 1.00 61.42 O ATOM 1482 CB ALA A 95 -10.606 -1.051 -7.869 1.00 21.43 C ATOM 0 H ALA A 95 -12.384 0.667 -7.726 1.00 31.21 H new ATOM 0 HA ALA A 95 -11.936 -1.822 -6.382 1.00 54.43 H new ATOM 0 HB1 ALA A 95 -9.822 -1.780 -7.663 1.00 21.43 H new ATOM 0 HB2 ALA A 95 -11.224 -1.407 -8.693 1.00 21.43 H new ATOM 0 HB3 ALA A 95 -10.153 -0.097 -8.140 1.00 21.43 H new ATOM 1488 N ILE A 96 -10.032 0.750 -5.533 1.00 2.32 N ATOM 1489 CA ILE A 96 -9.187 1.271 -4.466 1.00 51.03 C ATOM 1490 C ILE A 96 -9.959 1.377 -3.155 1.00 63.24 C ATOM 1491 O ILE A 96 -9.418 1.111 -2.081 1.00 43.15 O ATOM 1492 CB ILE A 96 -8.617 2.657 -4.827 1.00 22.53 C ATOM 1493 CG1 ILE A 96 -7.711 2.555 -6.056 1.00 31.33 C ATOM 1494 CG2 ILE A 96 -7.854 3.237 -3.646 1.00 5.51 C ATOM 1495 CD1 ILE A 96 -6.473 1.717 -5.827 1.00 5.51 C ATOM 0 H ILE A 96 -10.134 1.374 -6.333 1.00 2.32 H new ATOM 0 HA ILE A 96 -8.363 0.568 -4.343 1.00 51.03 H new ATOM 0 HB ILE A 96 -9.445 3.325 -5.064 1.00 22.53 H new ATOM 0 HG12 ILE A 96 -8.280 2.129 -6.882 1.00 31.33 H new ATOM 0 HG13 ILE A 96 -7.410 3.558 -6.359 1.00 31.33 H new ATOM 0 HG21 ILE A 96 -7.457 4.216 -3.915 1.00 5.51 H new ATOM 0 HG22 ILE A 96 -8.526 3.339 -2.794 1.00 5.51 H new ATOM 0 HG23 ILE A 96 -7.032 2.572 -3.382 1.00 5.51 H new ATOM 0 HD11 ILE A 96 -5.878 1.689 -6.740 1.00 5.51 H new ATOM 0 HD12 ILE A 96 -5.882 2.154 -5.022 1.00 5.51 H new ATOM 0 HD13 ILE A 96 -6.765 0.703 -5.553 1.00 5.51 H new ATOM 1507 N TYR A 97 -11.225 1.765 -3.251 1.00 21.15 N ATOM 1508 CA TYR A 97 -12.072 1.907 -2.072 1.00 62.10 C ATOM 1509 C TYR A 97 -12.207 0.578 -1.336 1.00 22.34 C ATOM 1510 O TYR A 97 -12.307 0.542 -0.109 1.00 32.34 O ATOM 1511 CB TYR A 97 -13.455 2.423 -2.471 1.00 35.31 C ATOM 1512 CG TYR A 97 -13.573 3.930 -2.434 1.00 52.33 C ATOM 1513 CD1 TYR A 97 -12.538 4.738 -2.890 1.00 72.22 C ATOM 1514 CD2 TYR A 97 -14.717 4.546 -1.943 1.00 12.22 C ATOM 1515 CE1 TYR A 97 -12.641 6.116 -2.857 1.00 32.11 C ATOM 1516 CE2 TYR A 97 -14.829 5.922 -1.908 1.00 4.20 C ATOM 1517 CZ TYR A 97 -13.788 6.703 -2.366 1.00 1.30 C ATOM 1518 OH TYR A 97 -13.895 8.075 -2.332 1.00 74.42 O ATOM 0 H TYR A 97 -11.688 1.987 -4.132 1.00 21.15 H new ATOM 0 HA TYR A 97 -11.602 2.627 -1.403 1.00 62.10 H new ATOM 0 HB2 TYR A 97 -13.688 2.073 -3.477 1.00 35.31 H new ATOM 0 HB3 TYR A 97 -14.201 1.992 -1.803 1.00 35.31 H new ATOM 0 HD1 TYR A 97 -11.639 4.282 -3.276 1.00 72.22 H new ATOM 0 HD2 TYR A 97 -15.533 3.938 -1.582 1.00 12.22 H new ATOM 0 HE1 TYR A 97 -11.827 6.730 -3.214 1.00 32.11 H new ATOM 0 HE2 TYR A 97 -15.727 6.384 -1.524 1.00 4.20 H new ATOM 0 HH TYR A 97 -14.766 8.326 -1.959 1.00 74.42 H new ATOM 1528 N SER A 98 -12.206 -0.514 -2.093 1.00 73.24 N ATOM 1529 CA SER A 98 -12.331 -1.847 -1.514 1.00 13.34 C ATOM 1530 C SER A 98 -11.016 -2.289 -0.880 1.00 13.11 C ATOM 1531 O SER A 98 -10.971 -2.649 0.297 1.00 42.44 O ATOM 1532 CB SER A 98 -12.759 -2.853 -2.584 1.00 31.33 C ATOM 1533 OG SER A 98 -14.136 -2.720 -2.889 1.00 3.23 O ATOM 0 H SER A 98 -12.120 -0.502 -3.109 1.00 73.24 H new ATOM 0 HA SER A 98 -13.094 -1.809 -0.737 1.00 13.34 H new ATOM 0 HB2 SER A 98 -12.167 -2.702 -3.487 1.00 31.33 H new ATOM 0 HB3 SER A 98 -12.557 -3.866 -2.236 1.00 31.33 H new ATOM 0 HG SER A 98 -14.253 -2.035 -3.580 1.00 3.23 H new ATOM 1539 N VAL A 99 -9.947 -2.260 -1.669 1.00 40.22 N ATOM 1540 CA VAL A 99 -8.629 -2.656 -1.186 1.00 31.10 C ATOM 1541 C VAL A 99 -8.187 -1.785 -0.016 1.00 14.12 C ATOM 1542 O VAL A 99 -7.833 -2.292 1.047 1.00 4.52 O ATOM 1543 CB VAL A 99 -7.573 -2.569 -2.304 1.00 22.13 C ATOM 1544 CG1 VAL A 99 -6.256 -3.178 -1.843 1.00 12.54 C ATOM 1545 CG2 VAL A 99 -8.074 -3.256 -3.565 1.00 30.44 C ATOM 0 H VAL A 99 -9.968 -1.966 -2.646 1.00 40.22 H new ATOM 0 HA VAL A 99 -8.712 -3.691 -0.853 1.00 31.10 H new ATOM 0 HB VAL A 99 -7.399 -1.518 -2.535 1.00 22.13 H new ATOM 0 HG11 VAL A 99 -5.522 -3.108 -2.646 1.00 12.54 H new ATOM 0 HG12 VAL A 99 -5.891 -2.638 -0.969 1.00 12.54 H new ATOM 0 HG13 VAL A 99 -6.411 -4.225 -1.583 1.00 12.54 H new ATOM 0 HG21 VAL A 99 -7.315 -3.185 -4.344 1.00 30.44 H new ATOM 0 HG22 VAL A 99 -8.277 -4.305 -3.351 1.00 30.44 H new ATOM 0 HG23 VAL A 99 -8.989 -2.771 -3.904 1.00 30.44 H new ATOM 1555 N GLU A 100 -8.214 -0.472 -0.220 1.00 5.12 N ATOM 1556 CA GLU A 100 -7.815 0.470 0.820 1.00 72.15 C ATOM 1557 C GLU A 100 -8.540 0.173 2.129 1.00 12.34 C ATOM 1558 O GLU A 100 -8.007 0.408 3.214 1.00 64.45 O ATOM 1559 CB GLU A 100 -8.106 1.905 0.377 1.00 41.35 C ATOM 1560 CG GLU A 100 -9.560 2.313 0.547 1.00 4.04 C ATOM 1561 CD GLU A 100 -9.846 3.698 0.000 1.00 22.02 C ATOM 1562 OE1 GLU A 100 -10.953 4.218 0.253 1.00 33.14 O ATOM 1563 OE2 GLU A 100 -8.964 4.262 -0.679 1.00 62.14 O ATOM 0 H GLU A 100 -8.507 -0.036 -1.094 1.00 5.12 H new ATOM 0 HA GLU A 100 -6.743 0.359 0.985 1.00 72.15 H new ATOM 0 HB2 GLU A 100 -7.477 2.587 0.949 1.00 41.35 H new ATOM 0 HB3 GLU A 100 -7.827 2.016 -0.671 1.00 41.35 H new ATOM 0 HG2 GLU A 100 -10.198 1.588 0.042 1.00 4.04 H new ATOM 0 HG3 GLU A 100 -9.820 2.284 1.605 1.00 4.04 H new