USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 559 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 54 TYR OH : rot 100:sc= 0.137 USER MOD Set 1.2: A 95 GLN : amide:sc= 0.346 K(o=0.48,f=-1.3!) USER MOD Set 2.1: A 24 HIS : no HD1:sc= -0.0666 X(o=-0.067,f=0) USER MOD Set 2.2: A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.444 X(o=-0.44,f=-0.21) USER MOD Single : A 28 LYS NZ :NH3+ -157:sc= 0.00621 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=-0.0094) USER MOD Single : A 45 THR OG1 : rot -160:sc= -1.34 USER MOD Single : A 48 SER OG : rot 180:sc= -0.441 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl -133:sc= -0.14 (180deg=-1.74) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 CYS SG : rot -47:sc= 0.328 USER MOD Single : A 58 GLN : amide:sc= -1.39 K(o=-1.4,f=-0.52) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl -178:sc= -0.915 (180deg=-0.917) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 85 MET CE :methyl 168:sc= -9.28! (180deg=-9.71!) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 307 N HIS A 24 7.166 7.943 12.587 1.00 0.00 N ATOM 308 CA HIS A 24 6.641 7.148 11.483 1.00 0.00 C ATOM 309 C HIS A 24 7.578 5.989 11.154 1.00 0.00 C ATOM 310 O HIS A 24 8.705 5.931 11.646 1.00 0.00 O ATOM 311 CB HIS A 24 6.440 8.024 10.246 1.00 0.00 C ATOM 312 CG HIS A 24 5.934 9.398 10.561 1.00 0.00 C ATOM 313 ND1 HIS A 24 4.602 9.745 10.485 1.00 0.00 N ATOM 314 CD2 HIS A 24 6.590 10.514 10.957 1.00 0.00 C ATOM 315 CE1 HIS A 24 4.461 11.016 10.819 1.00 0.00 C ATOM 316 NE2 HIS A 24 5.652 11.505 11.110 1.00 0.00 N ATOM 0 HA HIS A 24 5.678 6.738 11.789 1.00 0.00 H new ATOM 0 HB2 HIS A 24 7.387 8.108 9.713 1.00 0.00 H new ATOM 0 HB3 HIS A 24 5.737 7.532 9.573 1.00 0.00 H new ATOM 0 HD2 HIS A 24 7.653 10.607 11.122 1.00 0.00 H new ATOM 0 HE1 HIS A 24 3.530 11.562 10.849 1.00 0.00 H new ATOM 0 HE2 HIS A 24 5.844 12.463 11.401 1.00 0.00 H new ATOM 325 N ILE A 25 7.104 5.070 10.320 1.00 0.00 N ATOM 326 CA ILE A 25 7.899 3.914 9.925 1.00 0.00 C ATOM 327 C ILE A 25 8.010 3.815 8.408 1.00 0.00 C ATOM 328 O ILE A 25 7.133 4.279 7.680 1.00 0.00 O ATOM 329 CB ILE A 25 7.300 2.605 10.472 1.00 0.00 C ATOM 330 CG1 ILE A 25 5.881 2.405 9.936 1.00 0.00 C ATOM 331 CG2 ILE A 25 7.301 2.617 11.993 1.00 0.00 C ATOM 332 CD1 ILE A 25 5.108 1.325 10.660 1.00 0.00 C ATOM 0 H ILE A 25 6.173 5.103 9.905 1.00 0.00 H new ATOM 0 HA ILE A 25 8.893 4.055 10.351 1.00 0.00 H new ATOM 0 HB ILE A 25 7.916 1.772 10.135 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.336 3.346 10.015 1.00 0.00 H new ATOM 0 HG13 ILE A 25 5.933 2.155 8.876 1.00 0.00 H new ATOM 0 HG21 ILE A 25 6.875 1.685 12.364 1.00 0.00 H new ATOM 0 HG22 ILE A 25 8.324 2.718 12.355 1.00 0.00 H new ATOM 0 HG23 ILE A 25 6.705 3.457 12.351 1.00 0.00 H new ATOM 0 HD11 ILE A 25 4.111 1.239 10.227 1.00 0.00 H new ATOM 0 HD12 ILE A 25 5.631 0.374 10.560 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.024 1.583 11.716 1.00 0.00 H new ATOM 344 N ASN A 26 9.093 3.204 7.937 1.00 0.00 N ATOM 345 CA ASN A 26 9.317 3.042 6.505 1.00 0.00 C ATOM 346 C ASN A 26 9.349 1.566 6.123 1.00 0.00 C ATOM 347 O ASN A 26 10.297 0.849 6.449 1.00 0.00 O ATOM 348 CB ASN A 26 10.628 3.716 6.094 1.00 0.00 C ATOM 349 CG ASN A 26 10.667 5.184 6.471 1.00 0.00 C ATOM 350 OD1 ASN A 26 10.657 6.059 5.605 1.00 0.00 O ATOM 351 ND2 ASN A 26 10.712 5.461 7.769 1.00 0.00 N ATOM 0 H ASN A 26 9.828 2.813 8.526 1.00 0.00 H new ATOM 0 HA ASN A 26 8.490 3.517 5.977 1.00 0.00 H new ATOM 0 HB2 ASN A 26 11.463 3.200 6.568 1.00 0.00 H new ATOM 0 HB3 ASN A 26 10.762 3.617 5.017 1.00 0.00 H new ATOM 0 HD21 ASN A 26 10.740 6.431 8.083 1.00 0.00 H new ATOM 0 HD22 ASN A 26 10.719 4.704 8.452 1.00 0.00 H new ATOM 358 N LEU A 27 8.308 1.117 5.431 1.00 0.00 N ATOM 359 CA LEU A 27 8.217 -0.275 5.003 1.00 0.00 C ATOM 360 C LEU A 27 8.545 -0.411 3.520 1.00 0.00 C ATOM 361 O LEU A 27 7.972 0.283 2.680 1.00 0.00 O ATOM 362 CB LEU A 27 6.816 -0.823 5.280 1.00 0.00 C ATOM 363 CG LEU A 27 6.101 -0.250 6.505 1.00 0.00 C ATOM 364 CD1 LEU A 27 4.623 -0.605 6.474 1.00 0.00 C ATOM 365 CD2 LEU A 27 6.747 -0.758 7.786 1.00 0.00 C ATOM 0 H LEU A 27 7.515 1.696 5.154 1.00 0.00 H new ATOM 0 HA LEU A 27 8.946 -0.853 5.571 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.196 -0.639 4.403 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.887 -1.904 5.399 1.00 0.00 H new ATOM 0 HG LEU A 27 6.194 0.836 6.481 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.130 -0.189 7.353 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.168 -0.192 5.574 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.509 -1.689 6.473 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.225 -0.340 8.647 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.686 -1.846 7.818 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.793 -0.452 7.812 1.00 0.00 H new ATOM 377 N LYS A 28 9.468 -1.313 3.204 1.00 0.00 N ATOM 378 CA LYS A 28 9.870 -1.545 1.822 1.00 0.00 C ATOM 379 C LYS A 28 9.035 -2.653 1.190 1.00 0.00 C ATOM 380 O LYS A 28 9.132 -3.817 1.581 1.00 0.00 O ATOM 381 CB LYS A 28 11.355 -1.910 1.755 1.00 0.00 C ATOM 382 CG LYS A 28 12.279 -0.704 1.773 1.00 0.00 C ATOM 383 CD LYS A 28 13.701 -1.097 2.136 1.00 0.00 C ATOM 384 CE LYS A 28 13.886 -1.188 3.643 1.00 0.00 C ATOM 385 NZ LYS A 28 14.924 -2.190 4.015 1.00 0.00 N ATOM 0 H LYS A 28 9.952 -1.896 3.887 1.00 0.00 H new ATOM 0 HA LYS A 28 9.702 -0.624 1.263 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.600 -2.557 2.597 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.539 -2.485 0.847 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.272 -0.224 0.794 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.909 0.029 2.490 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.942 -2.057 1.680 1.00 0.00 H new ATOM 0 HD3 LYS A 28 14.398 -0.366 1.726 1.00 0.00 H new ATOM 0 HE2 LYS A 28 14.168 -0.210 4.034 1.00 0.00 H new ATOM 0 HE3 LYS A 28 12.938 -1.456 4.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 14.763 -2.511 4.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 14.868 -3.004 3.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 15.867 -1.756 3.944 1.00 0.00 H new ATOM 399 N VAL A 29 8.215 -2.286 0.210 1.00 0.00 N ATOM 400 CA VAL A 29 7.364 -3.250 -0.477 1.00 0.00 C ATOM 401 C VAL A 29 8.071 -3.838 -1.693 1.00 0.00 C ATOM 402 O VAL A 29 8.595 -3.106 -2.533 1.00 0.00 O ATOM 403 CB VAL A 29 6.039 -2.608 -0.928 1.00 0.00 C ATOM 404 CG1 VAL A 29 5.152 -3.637 -1.613 1.00 0.00 C ATOM 405 CG2 VAL A 29 5.322 -1.978 0.257 1.00 0.00 C ATOM 0 H VAL A 29 8.122 -1.327 -0.126 1.00 0.00 H new ATOM 0 HA VAL A 29 7.149 -4.047 0.235 1.00 0.00 H new ATOM 0 HB VAL A 29 6.263 -1.821 -1.648 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.220 -3.165 -1.925 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.666 -4.036 -2.487 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.933 -4.448 -0.919 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.388 -1.529 -0.080 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.108 -2.744 1.002 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.956 -1.209 0.699 1.00 0.00 H new ATOM 415 N ALA A 30 8.082 -5.163 -1.781 1.00 0.00 N ATOM 416 CA ALA A 30 8.722 -5.850 -2.896 1.00 0.00 C ATOM 417 C ALA A 30 7.689 -6.522 -3.794 1.00 0.00 C ATOM 418 O ALA A 30 6.656 -6.995 -3.322 1.00 0.00 O ATOM 419 CB ALA A 30 9.722 -6.875 -2.381 1.00 0.00 C ATOM 0 H ALA A 30 7.655 -5.783 -1.093 1.00 0.00 H new ATOM 0 HA ALA A 30 9.253 -5.107 -3.491 1.00 0.00 H new ATOM 0 HB1 ALA A 30 10.192 -7.380 -3.225 1.00 0.00 H new ATOM 0 HB2 ALA A 30 10.486 -6.372 -1.788 1.00 0.00 H new ATOM 0 HB3 ALA A 30 9.205 -7.608 -1.761 1.00 0.00 H new ATOM 479 N VAL A 36 10.810 -1.549 -5.925 1.00 0.00 N ATOM 480 CA VAL A 36 10.583 -1.423 -4.491 1.00 0.00 C ATOM 481 C VAL A 36 9.832 -0.137 -4.164 1.00 0.00 C ATOM 482 O VAL A 36 10.257 0.956 -4.539 1.00 0.00 O ATOM 483 CB VAL A 36 11.910 -1.442 -3.709 1.00 0.00 C ATOM 484 CG1 VAL A 36 11.661 -1.207 -2.227 1.00 0.00 C ATOM 485 CG2 VAL A 36 12.641 -2.757 -3.933 1.00 0.00 C ATOM 0 HA VAL A 36 9.980 -2.279 -4.190 1.00 0.00 H new ATOM 0 HB VAL A 36 12.541 -0.634 -4.079 1.00 0.00 H new ATOM 0 HG11 VAL A 36 12.610 -1.224 -1.691 1.00 0.00 H new ATOM 0 HG12 VAL A 36 11.183 -0.237 -2.088 1.00 0.00 H new ATOM 0 HG13 VAL A 36 11.011 -1.991 -1.838 1.00 0.00 H new ATOM 0 HG21 VAL A 36 13.576 -2.753 -3.373 1.00 0.00 H new ATOM 0 HG22 VAL A 36 12.017 -3.583 -3.592 1.00 0.00 H new ATOM 0 HG23 VAL A 36 12.854 -2.878 -4.995 1.00 0.00 H new ATOM 495 N VAL A 37 8.712 -0.275 -3.461 1.00 0.00 N ATOM 496 CA VAL A 37 7.901 0.876 -3.081 1.00 0.00 C ATOM 497 C VAL A 37 7.911 1.080 -1.571 1.00 0.00 C ATOM 498 O VAL A 37 7.542 0.185 -0.811 1.00 0.00 O ATOM 499 CB VAL A 37 6.445 0.718 -3.558 1.00 0.00 C ATOM 500 CG1 VAL A 37 5.665 2.003 -3.327 1.00 0.00 C ATOM 501 CG2 VAL A 37 6.405 0.316 -5.024 1.00 0.00 C ATOM 0 H VAL A 37 8.346 -1.172 -3.143 1.00 0.00 H new ATOM 0 HA VAL A 37 8.341 1.748 -3.565 1.00 0.00 H new ATOM 0 HB VAL A 37 5.974 -0.074 -2.975 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.639 1.872 -3.670 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.664 2.242 -2.264 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.132 2.817 -3.882 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.368 0.209 -5.344 1.00 0.00 H new ATOM 0 HG22 VAL A 37 6.893 1.083 -5.625 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.925 -0.633 -5.155 1.00 0.00 H new ATOM 511 N GLN A 38 8.334 2.265 -1.142 1.00 0.00 N ATOM 512 CA GLN A 38 8.391 2.587 0.279 1.00 0.00 C ATOM 513 C GLN A 38 7.165 3.388 0.705 1.00 0.00 C ATOM 514 O GLN A 38 6.454 3.947 -0.130 1.00 0.00 O ATOM 515 CB GLN A 38 9.664 3.374 0.594 1.00 0.00 C ATOM 516 CG GLN A 38 10.926 2.526 0.568 1.00 0.00 C ATOM 517 CD GLN A 38 12.175 3.346 0.316 1.00 0.00 C ATOM 518 OE1 GLN A 38 12.554 3.585 -0.832 1.00 0.00 O ATOM 519 NE2 GLN A 38 12.824 3.782 1.389 1.00 0.00 N ATOM 0 H GLN A 38 8.642 3.017 -1.758 1.00 0.00 H new ATOM 0 HA GLN A 38 8.403 1.651 0.838 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.767 4.186 -0.126 1.00 0.00 H new ATOM 0 HB3 GLN A 38 9.564 3.832 1.578 1.00 0.00 H new ATOM 0 HG2 GLN A 38 11.026 2.001 1.518 1.00 0.00 H new ATOM 0 HG3 GLN A 38 10.832 1.766 -0.208 1.00 0.00 H new ATOM 0 HE21 GLN A 38 12.475 3.561 2.321 1.00 0.00 H new ATOM 0 HE22 GLN A 38 13.672 4.338 1.281 1.00 0.00 H new ATOM 528 N PHE A 39 6.924 3.441 2.011 1.00 0.00 N ATOM 529 CA PHE A 39 5.783 4.173 2.549 1.00 0.00 C ATOM 530 C PHE A 39 6.061 4.642 3.974 1.00 0.00 C ATOM 531 O PHE A 39 6.621 3.904 4.785 1.00 0.00 O ATOM 532 CB PHE A 39 4.530 3.296 2.523 1.00 0.00 C ATOM 533 CG PHE A 39 4.070 2.948 1.137 1.00 0.00 C ATOM 534 CD1 PHE A 39 4.548 1.815 0.497 1.00 0.00 C ATOM 535 CD2 PHE A 39 3.158 3.752 0.473 1.00 0.00 C ATOM 536 CE1 PHE A 39 4.127 1.493 -0.779 1.00 0.00 C ATOM 537 CE2 PHE A 39 2.732 3.435 -0.804 1.00 0.00 C ATOM 538 CZ PHE A 39 3.217 2.304 -1.430 1.00 0.00 C ATOM 0 H PHE A 39 7.504 2.986 2.716 1.00 0.00 H new ATOM 0 HA PHE A 39 5.617 5.050 1.923 1.00 0.00 H new ATOM 0 HB2 PHE A 39 4.729 2.376 3.073 1.00 0.00 H new ATOM 0 HB3 PHE A 39 3.724 3.812 3.046 1.00 0.00 H new ATOM 0 HD1 PHE A 39 5.258 1.176 1.002 1.00 0.00 H new ATOM 0 HD2 PHE A 39 2.775 4.637 0.959 1.00 0.00 H new ATOM 0 HE1 PHE A 39 4.509 0.608 -1.267 1.00 0.00 H new ATOM 0 HE2 PHE A 39 2.021 4.071 -1.311 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.886 2.054 -2.427 1.00 0.00 H new ATOM 548 N LYS A 40 5.665 5.874 4.272 1.00 0.00 N ATOM 549 CA LYS A 40 5.869 6.444 5.599 1.00 0.00 C ATOM 550 C LYS A 40 4.536 6.671 6.305 1.00 0.00 C ATOM 551 O LYS A 40 3.789 7.587 5.960 1.00 0.00 O ATOM 552 CB LYS A 40 6.636 7.765 5.497 1.00 0.00 C ATOM 553 CG LYS A 40 7.313 8.177 6.792 1.00 0.00 C ATOM 554 CD LYS A 40 7.617 9.665 6.814 1.00 0.00 C ATOM 555 CE LYS A 40 8.799 9.980 7.717 1.00 0.00 C ATOM 556 NZ LYS A 40 10.098 9.816 7.007 1.00 0.00 N ATOM 0 H LYS A 40 5.200 6.498 3.612 1.00 0.00 H new ATOM 0 HA LYS A 40 6.454 5.735 6.185 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.390 7.678 4.714 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.947 8.552 5.190 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.671 7.924 7.636 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.238 7.614 6.915 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.830 10.009 5.802 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.739 10.212 7.158 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.713 11.002 8.085 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.776 9.325 8.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.879 10.040 7.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.192 8.834 6.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.131 10.460 6.191 1.00 0.00 H new ATOM 570 N ILE A 41 4.246 5.833 7.294 1.00 0.00 N ATOM 571 CA ILE A 41 3.004 5.944 8.050 1.00 0.00 C ATOM 572 C ILE A 41 3.272 5.937 9.551 1.00 0.00 C ATOM 573 O ILE A 41 4.417 5.820 9.988 1.00 0.00 O ATOM 574 CB ILE A 41 2.032 4.800 7.707 1.00 0.00 C ATOM 575 CG1 ILE A 41 2.471 3.505 8.394 1.00 0.00 C ATOM 576 CG2 ILE A 41 1.953 4.606 6.200 1.00 0.00 C ATOM 577 CD1 ILE A 41 1.493 2.365 8.216 1.00 0.00 C ATOM 0 H ILE A 41 4.854 5.070 7.591 1.00 0.00 H new ATOM 0 HA ILE A 41 2.547 6.893 7.770 1.00 0.00 H new ATOM 0 HB ILE A 41 1.040 5.064 8.072 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.442 3.205 8.000 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.605 3.695 9.459 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.262 3.794 5.973 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.599 5.525 5.733 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.942 4.360 5.813 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.869 1.480 8.729 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.527 2.645 8.636 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.377 2.147 7.154 1.00 0.00 H new ATOM 589 N LYS A 42 2.207 6.060 10.336 1.00 0.00 N ATOM 590 CA LYS A 42 2.325 6.064 11.790 1.00 0.00 C ATOM 591 C LYS A 42 2.107 4.665 12.357 1.00 0.00 C ATOM 592 O LYS A 42 1.635 3.768 11.659 1.00 0.00 O ATOM 593 CB LYS A 42 1.313 7.037 12.401 1.00 0.00 C ATOM 594 CG LYS A 42 1.215 8.358 11.657 1.00 0.00 C ATOM 595 CD LYS A 42 0.081 9.216 12.193 1.00 0.00 C ATOM 596 CE LYS A 42 -0.057 10.511 11.408 1.00 0.00 C ATOM 597 NZ LYS A 42 0.775 11.603 11.986 1.00 0.00 N ATOM 0 H LYS A 42 1.252 6.158 9.990 1.00 0.00 H new ATOM 0 HA LYS A 42 3.333 6.388 12.047 1.00 0.00 H new ATOM 0 HB2 LYS A 42 0.331 6.565 12.417 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.589 7.233 13.437 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.157 8.899 11.749 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.058 8.168 10.595 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -0.854 8.658 12.143 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.261 9.444 13.244 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.237 10.341 10.372 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -1.103 10.819 11.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.653 12.468 11.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 0.478 11.784 12.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 1.776 11.320 11.974 1.00 0.00 H new ATOM 611 N ARG A 43 2.452 4.487 13.628 1.00 0.00 N ATOM 612 CA ARG A 43 2.294 3.197 14.289 1.00 0.00 C ATOM 613 C ARG A 43 0.820 2.887 14.530 1.00 0.00 C ATOM 614 O ARG A 43 0.377 1.751 14.354 1.00 0.00 O ATOM 615 CB ARG A 43 3.052 3.185 15.618 1.00 0.00 C ATOM 616 CG ARG A 43 4.564 3.193 15.457 1.00 0.00 C ATOM 617 CD ARG A 43 5.264 2.809 16.751 1.00 0.00 C ATOM 618 NE ARG A 43 4.966 3.744 17.833 1.00 0.00 N ATOM 619 CZ ARG A 43 5.666 3.811 18.960 1.00 0.00 C ATOM 620 NH1 ARG A 43 6.699 3.002 19.152 1.00 0.00 N ATOM 621 NH2 ARG A 43 5.333 4.688 19.898 1.00 0.00 N ATOM 0 H ARG A 43 2.843 5.220 14.221 1.00 0.00 H new ATOM 0 HA ARG A 43 2.707 2.429 13.635 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.753 4.053 16.205 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.760 2.301 16.185 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.851 2.499 14.667 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.893 4.184 15.145 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.958 1.805 17.045 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.341 2.778 16.585 1.00 0.00 H new ATOM 0 HE ARG A 43 4.177 4.380 17.717 1.00 0.00 H new ATOM 0 HH11 ARG A 43 6.958 2.326 18.433 1.00 0.00 H new ATOM 0 HH12 ARG A 43 7.235 3.056 20.018 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.539 5.312 19.754 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.871 4.739 20.763 1.00 0.00 H new ATOM 635 N HIS A 44 0.064 3.903 14.933 1.00 0.00 N ATOM 636 CA HIS A 44 -1.361 3.739 15.198 1.00 0.00 C ATOM 637 C HIS A 44 -2.174 3.911 13.919 1.00 0.00 C ATOM 638 O HIS A 44 -3.391 3.723 13.914 1.00 0.00 O ATOM 639 CB HIS A 44 -1.825 4.746 16.251 1.00 0.00 C ATOM 640 CG HIS A 44 -2.219 6.073 15.678 1.00 0.00 C ATOM 641 ND1 HIS A 44 -3.506 6.564 15.736 1.00 0.00 N ATOM 642 CD2 HIS A 44 -1.488 7.012 15.035 1.00 0.00 C ATOM 643 CE1 HIS A 44 -3.549 7.748 15.151 1.00 0.00 C ATOM 644 NE2 HIS A 44 -2.337 8.043 14.718 1.00 0.00 N ATOM 0 H HIS A 44 0.414 4.849 15.083 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.521 2.730 15.577 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -2.673 4.328 16.793 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -1.025 4.896 16.976 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -0.432 6.960 14.812 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -4.426 8.369 15.045 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -2.074 8.898 14.228 1.00 0.00 H new ATOM 653 N THR A 45 -1.494 4.271 12.835 1.00 0.00 N ATOM 654 CA THR A 45 -2.154 4.470 11.550 1.00 0.00 C ATOM 655 C THR A 45 -2.325 3.149 10.809 1.00 0.00 C ATOM 656 O THR A 45 -1.376 2.387 10.622 1.00 0.00 O ATOM 657 CB THR A 45 -1.364 5.447 10.659 1.00 0.00 C ATOM 658 OG1 THR A 45 -1.577 6.793 11.099 1.00 0.00 O ATOM 659 CG2 THR A 45 -1.784 5.312 9.203 1.00 0.00 C ATOM 0 H THR A 45 -0.487 4.431 12.821 1.00 0.00 H new ATOM 0 HA THR A 45 -3.136 4.894 11.761 1.00 0.00 H new ATOM 0 HB THR A 45 -0.305 5.202 10.740 1.00 0.00 H new ATOM 0 HG1 THR A 45 -1.352 7.413 10.375 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.213 6.012 8.593 1.00 0.00 H new ATOM 0 HG22 THR A 45 -1.594 4.294 8.862 1.00 0.00 H new ATOM 0 HG23 THR A 45 -2.847 5.533 9.109 1.00 0.00 H new ATOM 667 N PRO A 46 -3.563 2.869 10.376 1.00 0.00 N ATOM 668 CA PRO A 46 -3.887 1.639 9.647 1.00 0.00 C ATOM 669 C PRO A 46 -3.287 1.621 8.245 1.00 0.00 C ATOM 670 O PRO A 46 -3.274 2.638 7.551 1.00 0.00 O ATOM 671 CB PRO A 46 -5.416 1.663 9.574 1.00 0.00 C ATOM 672 CG PRO A 46 -5.778 3.105 9.672 1.00 0.00 C ATOM 673 CD PRO A 46 -4.742 3.731 10.564 1.00 0.00 C ATOM 0 HA PRO A 46 -3.484 0.754 10.140 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -5.775 1.227 8.641 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -5.860 1.087 10.386 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -5.781 3.574 8.688 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.778 3.229 10.088 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.535 4.762 10.278 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.065 3.748 11.605 1.00 0.00 H new ATOM 681 N LEU A 47 -2.791 0.459 7.834 1.00 0.00 N ATOM 682 CA LEU A 47 -2.190 0.308 6.514 1.00 0.00 C ATOM 683 C LEU A 47 -3.183 0.678 5.417 1.00 0.00 C ATOM 684 O LEU A 47 -2.803 0.885 4.265 1.00 0.00 O ATOM 685 CB LEU A 47 -1.704 -1.129 6.315 1.00 0.00 C ATOM 686 CG LEU A 47 -0.722 -1.656 7.362 1.00 0.00 C ATOM 687 CD1 LEU A 47 -0.476 -3.144 7.160 1.00 0.00 C ATOM 688 CD2 LEU A 47 0.588 -0.884 7.302 1.00 0.00 C ATOM 0 H LEU A 47 -2.793 -0.392 8.396 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.338 0.985 6.450 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.573 -1.786 6.298 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.232 -1.199 5.335 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.160 -1.511 8.349 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.225 -3.502 7.914 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.418 -3.685 7.254 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.059 -3.312 6.167 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.274 -1.273 8.054 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.032 -0.997 6.313 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.397 0.172 7.496 1.00 0.00 H new ATOM 700 N SER A 48 -4.458 0.760 5.784 1.00 0.00 N ATOM 701 CA SER A 48 -5.507 1.104 4.831 1.00 0.00 C ATOM 702 C SER A 48 -5.004 2.123 3.814 1.00 0.00 C ATOM 703 O SER A 48 -5.008 1.870 2.609 1.00 0.00 O ATOM 704 CB SER A 48 -6.730 1.659 5.564 1.00 0.00 C ATOM 705 OG SER A 48 -6.468 2.949 6.089 1.00 0.00 O ATOM 0 H SER A 48 -4.789 0.593 6.734 1.00 0.00 H new ATOM 0 HA SER A 48 -5.792 0.196 4.299 1.00 0.00 H new ATOM 0 HB2 SER A 48 -7.577 1.707 4.880 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.011 0.984 6.373 1.00 0.00 H new ATOM 0 HG SER A 48 -7.265 3.282 6.551 1.00 0.00 H new ATOM 711 N LYS A 49 -4.571 3.278 4.307 1.00 0.00 N ATOM 712 CA LYS A 49 -4.063 4.338 3.444 1.00 0.00 C ATOM 713 C LYS A 49 -2.873 3.848 2.625 1.00 0.00 C ATOM 714 O LYS A 49 -2.810 4.063 1.413 1.00 0.00 O ATOM 715 CB LYS A 49 -3.656 5.553 4.279 1.00 0.00 C ATOM 716 CG LYS A 49 -4.835 6.339 4.825 1.00 0.00 C ATOM 717 CD LYS A 49 -4.410 7.280 5.940 1.00 0.00 C ATOM 718 CE LYS A 49 -5.606 7.986 6.560 1.00 0.00 C ATOM 719 NZ LYS A 49 -5.224 8.769 7.768 1.00 0.00 N ATOM 0 H LYS A 49 -4.562 3.504 5.302 1.00 0.00 H new ATOM 0 HA LYS A 49 -4.859 4.628 2.758 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.036 5.220 5.111 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.041 6.214 3.668 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -5.296 6.912 4.020 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.592 5.649 5.199 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -3.879 6.719 6.709 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -3.713 8.020 5.547 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -6.057 8.651 5.824 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -6.363 7.249 6.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -6.067 9.235 8.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -4.817 8.131 8.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -4.521 9.489 7.507 1.00 0.00 H new ATOM 733 N LEU A 50 -1.933 3.189 3.292 1.00 0.00 N ATOM 734 CA LEU A 50 -0.745 2.667 2.625 1.00 0.00 C ATOM 735 C LEU A 50 -1.126 1.843 1.400 1.00 0.00 C ATOM 736 O LEU A 50 -0.694 2.134 0.285 1.00 0.00 O ATOM 737 CB LEU A 50 0.074 1.812 3.594 1.00 0.00 C ATOM 738 CG LEU A 50 0.978 0.756 2.958 1.00 0.00 C ATOM 739 CD1 LEU A 50 1.774 1.356 1.810 1.00 0.00 C ATOM 740 CD2 LEU A 50 1.911 0.155 3.999 1.00 0.00 C ATOM 0 H LEU A 50 -1.970 3.003 4.294 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.141 3.513 2.297 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.693 2.475 4.198 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.614 1.310 4.275 1.00 0.00 H new ATOM 0 HG LEU A 50 0.349 -0.040 2.560 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.412 0.589 1.370 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.089 1.737 1.053 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.393 2.172 2.184 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.547 -0.595 3.528 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.533 0.941 4.427 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.322 -0.313 4.788 1.00 0.00 H new ATOM 752 N MET A 51 -1.940 0.814 1.614 1.00 0.00 N ATOM 753 CA MET A 51 -2.382 -0.050 0.526 1.00 0.00 C ATOM 754 C MET A 51 -2.974 0.772 -0.614 1.00 0.00 C ATOM 755 O MET A 51 -2.622 0.583 -1.779 1.00 0.00 O ATOM 756 CB MET A 51 -3.414 -1.058 1.034 1.00 0.00 C ATOM 757 CG MET A 51 -2.922 -1.896 2.202 1.00 0.00 C ATOM 758 SD MET A 51 -4.256 -2.409 3.301 1.00 0.00 S ATOM 759 CE MET A 51 -3.680 -4.030 3.799 1.00 0.00 C ATOM 0 H MET A 51 -2.307 0.559 2.531 1.00 0.00 H new ATOM 0 HA MET A 51 -1.514 -0.590 0.148 1.00 0.00 H new ATOM 0 HB2 MET A 51 -4.314 -0.523 1.335 1.00 0.00 H new ATOM 0 HB3 MET A 51 -3.696 -1.720 0.216 1.00 0.00 H new ATOM 0 HG2 MET A 51 -2.411 -2.780 1.820 1.00 0.00 H new ATOM 0 HG3 MET A 51 -2.188 -1.324 2.770 1.00 0.00 H new ATOM 0 HE1 MET A 51 -4.496 -4.748 3.715 1.00 0.00 H new ATOM 0 HE2 MET A 51 -2.858 -4.338 3.153 1.00 0.00 H new ATOM 0 HE3 MET A 51 -3.335 -3.992 4.832 1.00 0.00 H new ATOM 769 N LYS A 52 -3.877 1.686 -0.272 1.00 0.00 N ATOM 770 CA LYS A 52 -4.519 2.538 -1.267 1.00 0.00 C ATOM 771 C LYS A 52 -3.479 3.299 -2.083 1.00 0.00 C ATOM 772 O LYS A 52 -3.486 3.251 -3.313 1.00 0.00 O ATOM 773 CB LYS A 52 -5.469 3.524 -0.585 1.00 0.00 C ATOM 774 CG LYS A 52 -6.892 3.008 -0.456 1.00 0.00 C ATOM 775 CD LYS A 52 -7.736 3.913 0.425 1.00 0.00 C ATOM 776 CE LYS A 52 -7.376 3.753 1.894 1.00 0.00 C ATOM 777 NZ LYS A 52 -7.651 4.994 2.671 1.00 0.00 N ATOM 0 H LYS A 52 -4.181 1.856 0.687 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.090 1.901 -1.943 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -5.085 3.758 0.408 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.479 4.456 -1.150 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -7.345 2.936 -1.445 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.878 2.002 -0.038 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.593 4.951 0.125 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.791 3.682 0.281 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -7.944 2.925 2.319 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.321 3.495 1.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.392 4.844 3.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.090 5.779 2.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -8.663 5.227 2.607 1.00 0.00 H new ATOM 791 N ALA A 53 -2.586 3.999 -1.391 1.00 0.00 N ATOM 792 CA ALA A 53 -1.538 4.767 -2.052 1.00 0.00 C ATOM 793 C ALA A 53 -0.667 3.869 -2.924 1.00 0.00 C ATOM 794 O ALA A 53 -0.032 4.334 -3.871 1.00 0.00 O ATOM 795 CB ALA A 53 -0.686 5.493 -1.022 1.00 0.00 C ATOM 0 H ALA A 53 -2.567 4.050 -0.372 1.00 0.00 H new ATOM 0 HA ALA A 53 -2.014 5.505 -2.698 1.00 0.00 H new ATOM 0 HB1 ALA A 53 0.092 6.062 -1.530 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.313 6.172 -0.444 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.226 4.766 -0.353 1.00 0.00 H new ATOM 801 N TYR A 54 -0.641 2.581 -2.599 1.00 0.00 N ATOM 802 CA TYR A 54 0.155 1.619 -3.351 1.00 0.00 C ATOM 803 C TYR A 54 -0.574 1.180 -4.617 1.00 0.00 C ATOM 804 O TYR A 54 0.039 1.003 -5.671 1.00 0.00 O ATOM 805 CB TYR A 54 0.473 0.400 -2.484 1.00 0.00 C ATOM 806 CG TYR A 54 1.180 -0.708 -3.232 1.00 0.00 C ATOM 807 CD1 TYR A 54 2.554 -0.671 -3.433 1.00 0.00 C ATOM 808 CD2 TYR A 54 0.473 -1.792 -3.737 1.00 0.00 C ATOM 809 CE1 TYR A 54 3.203 -1.681 -4.117 1.00 0.00 C ATOM 810 CE2 TYR A 54 1.114 -2.807 -4.421 1.00 0.00 C ATOM 811 CZ TYR A 54 2.479 -2.747 -4.608 1.00 0.00 C ATOM 812 OH TYR A 54 3.122 -3.755 -5.289 1.00 0.00 O ATOM 0 H TYR A 54 -1.162 2.179 -1.820 1.00 0.00 H new ATOM 0 HA TYR A 54 1.087 2.104 -3.640 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.094 0.714 -1.645 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.455 0.010 -2.066 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.125 0.161 -3.048 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -0.596 -1.842 -3.592 1.00 0.00 H new ATOM 0 HE1 TYR A 54 4.272 -1.636 -4.266 1.00 0.00 H new ATOM 0 HE2 TYR A 54 0.549 -3.643 -4.807 1.00 0.00 H new ATOM 0 HH TYR A 54 3.263 -4.517 -4.689 1.00 0.00 H new ATOM 822 N CYS A 55 -1.887 1.006 -4.506 1.00 0.00 N ATOM 823 CA CYS A 55 -2.701 0.587 -5.641 1.00 0.00 C ATOM 824 C CYS A 55 -2.932 1.748 -6.603 1.00 0.00 C ATOM 825 O CYS A 55 -2.899 1.573 -7.820 1.00 0.00 O ATOM 826 CB CYS A 55 -4.043 0.036 -5.156 1.00 0.00 C ATOM 827 SG CYS A 55 -5.288 1.307 -4.829 1.00 0.00 S ATOM 0 H CYS A 55 -2.410 1.149 -3.642 1.00 0.00 H new ATOM 0 HA CYS A 55 -2.164 -0.199 -6.172 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -4.432 -0.654 -5.904 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -3.879 -0.540 -4.245 1.00 0.00 H new ATOM 0 HG CYS A 55 -4.757 2.264 -4.128 1.00 0.00 H new ATOM 833 N GLU A 56 -3.166 2.933 -6.047 1.00 0.00 N ATOM 834 CA GLU A 56 -3.405 4.122 -6.856 1.00 0.00 C ATOM 835 C GLU A 56 -2.124 4.571 -7.554 1.00 0.00 C ATOM 836 O GLU A 56 -2.143 4.951 -8.725 1.00 0.00 O ATOM 837 CB GLU A 56 -3.950 5.257 -5.987 1.00 0.00 C ATOM 838 CG GLU A 56 -2.866 6.078 -5.309 1.00 0.00 C ATOM 839 CD GLU A 56 -3.410 6.964 -4.205 1.00 0.00 C ATOM 840 OE1 GLU A 56 -4.141 6.447 -3.335 1.00 0.00 O ATOM 841 OE2 GLU A 56 -3.104 8.175 -4.212 1.00 0.00 O ATOM 0 H GLU A 56 -3.195 3.095 -5.040 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.144 3.870 -7.616 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.560 5.916 -6.605 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.606 4.837 -5.225 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.114 5.407 -4.894 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.365 6.697 -6.053 1.00 0.00 H new ATOM 848 N ARG A 57 -1.013 4.524 -6.826 1.00 0.00 N ATOM 849 CA ARG A 57 0.277 4.927 -7.374 1.00 0.00 C ATOM 850 C ARG A 57 0.537 4.242 -8.712 1.00 0.00 C ATOM 851 O ARG A 57 0.818 4.902 -9.713 1.00 0.00 O ATOM 852 CB ARG A 57 1.399 4.593 -6.390 1.00 0.00 C ATOM 853 CG ARG A 57 2.792 4.833 -6.951 1.00 0.00 C ATOM 854 CD ARG A 57 3.861 4.638 -5.888 1.00 0.00 C ATOM 855 NE ARG A 57 4.121 5.866 -5.141 1.00 0.00 N ATOM 856 CZ ARG A 57 5.266 6.117 -4.515 1.00 0.00 C ATOM 857 NH1 ARG A 57 6.251 5.231 -4.547 1.00 0.00 N ATOM 858 NH2 ARG A 57 5.426 7.258 -3.857 1.00 0.00 N ATOM 0 H ARG A 57 -0.980 4.211 -5.856 1.00 0.00 H new ATOM 0 HA ARG A 57 0.255 6.005 -7.536 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.271 5.193 -5.489 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.311 3.548 -6.093 1.00 0.00 H new ATOM 0 HG2 ARG A 57 2.974 4.150 -7.781 1.00 0.00 H new ATOM 0 HG3 ARG A 57 2.855 5.845 -7.351 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.548 3.854 -5.199 1.00 0.00 H new ATOM 0 HD3 ARG A 57 4.783 4.298 -6.359 1.00 0.00 H new ATOM 0 HE ARG A 57 3.383 6.569 -5.097 1.00 0.00 H new ATOM 0 HH11 ARG A 57 6.131 4.354 -5.053 1.00 0.00 H new ATOM 0 HH12 ARG A 57 7.129 5.427 -4.066 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.670 7.942 -3.832 1.00 0.00 H new ATOM 0 HH22 ARG A 57 6.305 7.451 -3.376 1.00 0.00 H new ATOM 872 N GLN A 58 0.443 2.917 -8.721 1.00 0.00 N ATOM 873 CA GLN A 58 0.670 2.143 -9.936 1.00 0.00 C ATOM 874 C GLN A 58 -0.569 2.150 -10.825 1.00 0.00 C ATOM 875 O GLN A 58 -0.479 2.387 -12.029 1.00 0.00 O ATOM 876 CB GLN A 58 1.052 0.704 -9.585 1.00 0.00 C ATOM 877 CG GLN A 58 2.281 0.600 -8.697 1.00 0.00 C ATOM 878 CD GLN A 58 3.477 1.336 -9.268 1.00 0.00 C ATOM 879 OE1 GLN A 58 3.852 1.135 -10.423 1.00 0.00 O ATOM 880 NE2 GLN A 58 4.084 2.197 -8.458 1.00 0.00 N ATOM 0 H GLN A 58 0.211 2.357 -7.901 1.00 0.00 H new ATOM 0 HA GLN A 58 1.491 2.606 -10.484 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.211 0.225 -9.084 1.00 0.00 H new ATOM 0 HB3 GLN A 58 1.232 0.150 -10.506 1.00 0.00 H new ATOM 0 HG2 GLN A 58 2.048 1.003 -7.711 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.537 -0.450 -8.559 1.00 0.00 H new ATOM 0 HE21 GLN A 58 3.740 2.333 -7.508 1.00 0.00 H new ATOM 0 HE22 GLN A 58 4.894 2.722 -8.787 1.00 0.00 H new ATOM 889 N GLY A 59 -1.725 1.889 -10.223 1.00 0.00 N ATOM 890 CA GLY A 59 -2.966 1.870 -10.976 1.00 0.00 C ATOM 891 C GLY A 59 -3.630 0.507 -10.966 1.00 0.00 C ATOM 892 O GLY A 59 -4.361 0.158 -11.893 1.00 0.00 O ATOM 0 H GLY A 59 -1.825 1.690 -9.228 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.652 2.608 -10.559 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.767 2.166 -12.006 1.00 0.00 H new ATOM 896 N LEU A 60 -3.373 -0.266 -9.916 1.00 0.00 N ATOM 897 CA LEU A 60 -3.950 -1.600 -9.790 1.00 0.00 C ATOM 898 C LEU A 60 -5.143 -1.589 -8.839 1.00 0.00 C ATOM 899 O LEU A 60 -5.506 -0.547 -8.294 1.00 0.00 O ATOM 900 CB LEU A 60 -2.895 -2.588 -9.291 1.00 0.00 C ATOM 901 CG LEU A 60 -1.539 -2.535 -9.996 1.00 0.00 C ATOM 902 CD1 LEU A 60 -0.433 -2.999 -9.061 1.00 0.00 C ATOM 903 CD2 LEU A 60 -1.562 -3.381 -11.260 1.00 0.00 C ATOM 0 H LEU A 60 -2.770 0.008 -9.141 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.296 -1.914 -10.775 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.736 -2.412 -8.227 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.295 -3.597 -9.391 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.338 -1.502 -10.278 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.525 -2.955 -9.580 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.401 -2.351 -8.185 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.628 -4.024 -8.747 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.589 -3.332 -11.749 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.786 -4.416 -11.001 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.328 -3.003 -11.937 1.00 0.00 H new ATOM 915 N SER A 61 -5.748 -2.757 -8.643 1.00 0.00 N ATOM 916 CA SER A 61 -6.901 -2.882 -7.759 1.00 0.00 C ATOM 917 C SER A 61 -6.529 -3.633 -6.484 1.00 0.00 C ATOM 918 O SER A 61 -5.583 -4.420 -6.468 1.00 0.00 O ATOM 919 CB SER A 61 -8.043 -3.604 -8.475 1.00 0.00 C ATOM 920 OG SER A 61 -8.567 -2.812 -9.527 1.00 0.00 O ATOM 0 H SER A 61 -5.459 -3.630 -9.085 1.00 0.00 H new ATOM 0 HA SER A 61 -7.229 -1.879 -7.486 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.684 -4.553 -8.874 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.834 -3.837 -7.762 1.00 0.00 H new ATOM 0 HG SER A 61 -9.295 -3.297 -9.970 1.00 0.00 H new ATOM 926 N MET A 62 -7.280 -3.382 -5.417 1.00 0.00 N ATOM 927 CA MET A 62 -7.031 -4.035 -4.137 1.00 0.00 C ATOM 928 C MET A 62 -7.482 -5.492 -4.173 1.00 0.00 C ATOM 929 O MET A 62 -6.938 -6.337 -3.462 1.00 0.00 O ATOM 930 CB MET A 62 -7.754 -3.292 -3.012 1.00 0.00 C ATOM 931 CG MET A 62 -7.114 -1.962 -2.652 1.00 0.00 C ATOM 932 SD MET A 62 -7.848 -1.211 -1.187 1.00 0.00 S ATOM 933 CE MET A 62 -6.419 -1.093 -0.114 1.00 0.00 C ATOM 0 H MET A 62 -8.066 -2.731 -5.413 1.00 0.00 H new ATOM 0 HA MET A 62 -5.958 -4.010 -3.947 1.00 0.00 H new ATOM 0 HB2 MET A 62 -8.789 -3.119 -3.308 1.00 0.00 H new ATOM 0 HB3 MET A 62 -7.778 -3.926 -2.126 1.00 0.00 H new ATOM 0 HG2 MET A 62 -6.047 -2.110 -2.484 1.00 0.00 H new ATOM 0 HG3 MET A 62 -7.211 -1.277 -3.494 1.00 0.00 H new ATOM 0 HE1 MET A 62 -6.720 -0.679 0.848 1.00 0.00 H new ATOM 0 HE2 MET A 62 -5.993 -2.085 0.035 1.00 0.00 H new ATOM 0 HE3 MET A 62 -5.673 -0.443 -0.571 1.00 0.00 H new ATOM 943 N ARG A 63 -8.479 -5.777 -5.004 1.00 0.00 N ATOM 944 CA ARG A 63 -9.004 -7.132 -5.130 1.00 0.00 C ATOM 945 C ARG A 63 -8.119 -7.974 -6.044 1.00 0.00 C ATOM 946 O ARG A 63 -8.360 -9.167 -6.229 1.00 0.00 O ATOM 947 CB ARG A 63 -10.433 -7.099 -5.675 1.00 0.00 C ATOM 948 CG ARG A 63 -10.505 -7.001 -7.190 1.00 0.00 C ATOM 949 CD ARG A 63 -11.739 -6.235 -7.641 1.00 0.00 C ATOM 950 NE ARG A 63 -12.964 -7.004 -7.441 1.00 0.00 N ATOM 951 CZ ARG A 63 -14.177 -6.540 -7.720 1.00 0.00 C ATOM 952 NH1 ARG A 63 -14.326 -5.316 -8.209 1.00 0.00 N ATOM 953 NH2 ARG A 63 -15.244 -7.300 -7.511 1.00 0.00 N ATOM 0 H ARG A 63 -8.939 -5.089 -5.600 1.00 0.00 H new ATOM 0 HA ARG A 63 -9.011 -7.586 -4.139 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -10.957 -7.999 -5.352 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -10.960 -6.250 -5.239 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -9.610 -6.505 -7.567 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -10.520 -8.002 -7.620 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -11.805 -5.297 -7.089 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -11.641 -5.978 -8.696 1.00 0.00 H new ATOM 0 HE ARG A 63 -12.884 -7.949 -7.066 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -13.508 -4.729 -8.372 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -15.259 -4.962 -8.422 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -15.134 -8.242 -7.136 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -16.175 -6.942 -7.726 1.00 0.00 H new ATOM 967 N GLN A 64 -7.096 -7.345 -6.613 1.00 0.00 N ATOM 968 CA GLN A 64 -6.177 -8.037 -7.509 1.00 0.00 C ATOM 969 C GLN A 64 -4.861 -8.349 -6.803 1.00 0.00 C ATOM 970 O GLN A 64 -4.261 -9.402 -7.024 1.00 0.00 O ATOM 971 CB GLN A 64 -5.913 -7.192 -8.756 1.00 0.00 C ATOM 972 CG GLN A 64 -6.898 -7.448 -9.884 1.00 0.00 C ATOM 973 CD GLN A 64 -6.319 -7.129 -11.248 1.00 0.00 C ATOM 974 OE1 GLN A 64 -5.478 -7.864 -11.767 1.00 0.00 O ATOM 975 NE2 GLN A 64 -6.768 -6.027 -11.839 1.00 0.00 N ATOM 0 H GLN A 64 -6.883 -6.358 -6.470 1.00 0.00 H new ATOM 0 HA GLN A 64 -6.640 -8.977 -7.808 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.951 -6.137 -8.484 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -4.903 -7.393 -9.114 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -7.208 -8.493 -9.860 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -7.793 -6.846 -9.724 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -7.465 -5.446 -11.373 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -6.415 -5.762 -12.759 1.00 0.00 H new ATOM 984 N ILE A 65 -4.417 -7.428 -5.955 1.00 0.00 N ATOM 985 CA ILE A 65 -3.173 -7.605 -5.217 1.00 0.00 C ATOM 986 C ILE A 65 -3.442 -8.065 -3.788 1.00 0.00 C ATOM 987 O ILE A 65 -4.590 -8.120 -3.349 1.00 0.00 O ATOM 988 CB ILE A 65 -2.351 -6.303 -5.178 1.00 0.00 C ATOM 989 CG1 ILE A 65 -3.034 -5.269 -4.281 1.00 0.00 C ATOM 990 CG2 ILE A 65 -2.165 -5.752 -6.584 1.00 0.00 C ATOM 991 CD1 ILE A 65 -2.195 -4.035 -4.035 1.00 0.00 C ATOM 0 H ILE A 65 -4.901 -6.551 -5.762 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.602 -8.371 -5.742 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.368 -6.524 -4.762 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -3.978 -4.972 -4.737 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.274 -5.732 -3.324 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -1.582 -4.832 -6.540 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -1.640 -6.485 -7.196 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -3.140 -5.543 -7.025 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.742 -3.346 -3.392 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.261 -4.321 -3.551 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -1.977 -3.548 -4.985 1.00 0.00 H new ATOM 1003 N ARG A 66 -2.375 -8.394 -3.068 1.00 0.00 N ATOM 1004 CA ARG A 66 -2.495 -8.850 -1.688 1.00 0.00 C ATOM 1005 C ARG A 66 -1.285 -8.417 -0.865 1.00 0.00 C ATOM 1006 O ARG A 66 -0.144 -8.526 -1.315 1.00 0.00 O ATOM 1007 CB ARG A 66 -2.639 -10.372 -1.641 1.00 0.00 C ATOM 1008 CG ARG A 66 -4.078 -10.851 -1.750 1.00 0.00 C ATOM 1009 CD ARG A 66 -4.766 -10.859 -0.394 1.00 0.00 C ATOM 1010 NE ARG A 66 -4.339 -11.987 0.430 1.00 0.00 N ATOM 1011 CZ ARG A 66 -4.843 -13.211 0.317 1.00 0.00 C ATOM 1012 NH1 ARG A 66 -5.785 -13.464 -0.581 1.00 0.00 N ATOM 1013 NH2 ARG A 66 -4.403 -14.186 1.103 1.00 0.00 N ATOM 0 H ARG A 66 -1.417 -8.353 -3.417 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.387 -8.395 -1.258 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -2.057 -10.809 -2.453 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.212 -10.740 -0.708 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -4.627 -10.204 -2.434 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -4.098 -11.854 -2.175 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -4.550 -9.927 0.128 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.846 -10.902 -0.536 1.00 0.00 H new ATOM 0 HE ARG A 66 -3.615 -11.826 1.130 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -6.125 -12.718 -1.188 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -6.170 -14.405 -0.665 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -3.678 -13.996 1.794 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -4.790 -15.126 1.016 1.00 0.00 H new ATOM 1027 N PHE A 67 -1.542 -7.927 0.343 1.00 0.00 N ATOM 1028 CA PHE A 67 -0.474 -7.476 1.228 1.00 0.00 C ATOM 1029 C PHE A 67 -0.143 -8.544 2.267 1.00 0.00 C ATOM 1030 O PHE A 67 -0.995 -9.352 2.636 1.00 0.00 O ATOM 1031 CB PHE A 67 -0.877 -6.176 1.927 1.00 0.00 C ATOM 1032 CG PHE A 67 -1.009 -5.009 0.990 1.00 0.00 C ATOM 1033 CD1 PHE A 67 -2.197 -4.777 0.315 1.00 0.00 C ATOM 1034 CD2 PHE A 67 0.054 -4.144 0.785 1.00 0.00 C ATOM 1035 CE1 PHE A 67 -2.321 -3.704 -0.547 1.00 0.00 C ATOM 1036 CE2 PHE A 67 -0.065 -3.069 -0.076 1.00 0.00 C ATOM 1037 CZ PHE A 67 -1.254 -2.849 -0.742 1.00 0.00 C ATOM 0 H PHE A 67 -2.480 -7.832 0.732 1.00 0.00 H new ATOM 0 HA PHE A 67 0.414 -7.294 0.623 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.826 -6.328 2.441 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -0.136 -5.938 2.690 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -3.035 -5.442 0.464 1.00 0.00 H new ATOM 0 HD2 PHE A 67 0.986 -4.312 1.304 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -3.252 -3.534 -1.068 1.00 0.00 H new ATOM 0 HE2 PHE A 67 0.771 -2.402 -0.227 1.00 0.00 H new ATOM 0 HZ PHE A 67 -1.350 -2.009 -1.415 1.00 0.00 H new ATOM 1047 N ARG A 68 1.101 -8.539 2.736 1.00 0.00 N ATOM 1048 CA ARG A 68 1.546 -9.507 3.731 1.00 0.00 C ATOM 1049 C ARG A 68 2.793 -9.008 4.455 1.00 0.00 C ATOM 1050 O ARG A 68 3.620 -8.305 3.875 1.00 0.00 O ATOM 1051 CB ARG A 68 1.834 -10.856 3.068 1.00 0.00 C ATOM 1052 CG ARG A 68 0.587 -11.684 2.806 1.00 0.00 C ATOM 1053 CD ARG A 68 0.903 -13.171 2.769 1.00 0.00 C ATOM 1054 NE ARG A 68 -0.289 -13.979 2.525 1.00 0.00 N ATOM 1055 CZ ARG A 68 -0.252 -15.273 2.229 1.00 0.00 C ATOM 1056 NH1 ARG A 68 0.911 -15.904 2.143 1.00 0.00 N ATOM 1057 NH2 ARG A 68 -1.380 -15.940 2.021 1.00 0.00 N ATOM 0 H ARG A 68 1.818 -7.875 2.443 1.00 0.00 H new ATOM 0 HA ARG A 68 0.747 -9.632 4.462 1.00 0.00 H new ATOM 0 HB2 ARG A 68 2.351 -10.684 2.124 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.512 -11.426 3.703 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.152 -11.487 3.583 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.141 -11.382 1.858 1.00 0.00 H new ATOM 0 HD2 ARG A 68 1.639 -13.366 1.989 1.00 0.00 H new ATOM 0 HD3 ARG A 68 1.355 -13.469 3.715 1.00 0.00 H new ATOM 0 HE ARG A 68 -1.200 -13.524 2.585 1.00 0.00 H new ATOM 0 HH11 ARG A 68 1.780 -15.395 2.304 1.00 0.00 H new ATOM 0 HH12 ARG A 68 0.936 -16.898 1.915 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -2.277 -15.459 2.088 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -1.350 -16.934 1.794 1.00 0.00 H new ATOM 1071 N PHE A 69 2.919 -9.376 5.726 1.00 0.00 N ATOM 1072 CA PHE A 69 4.064 -8.964 6.530 1.00 0.00 C ATOM 1073 C PHE A 69 4.583 -10.126 7.372 1.00 0.00 C ATOM 1074 O PHE A 69 3.882 -10.634 8.247 1.00 0.00 O ATOM 1075 CB PHE A 69 3.681 -7.793 7.438 1.00 0.00 C ATOM 1076 CG PHE A 69 4.864 -7.089 8.039 1.00 0.00 C ATOM 1077 CD1 PHE A 69 5.754 -6.393 7.237 1.00 0.00 C ATOM 1078 CD2 PHE A 69 5.087 -7.125 9.406 1.00 0.00 C ATOM 1079 CE1 PHE A 69 6.844 -5.744 7.787 1.00 0.00 C ATOM 1080 CE2 PHE A 69 6.175 -6.477 9.962 1.00 0.00 C ATOM 1081 CZ PHE A 69 7.055 -5.787 9.151 1.00 0.00 C ATOM 0 H PHE A 69 2.243 -9.958 6.221 1.00 0.00 H new ATOM 0 HA PHE A 69 4.857 -8.646 5.853 1.00 0.00 H new ATOM 0 HB2 PHE A 69 3.094 -7.076 6.864 1.00 0.00 H new ATOM 0 HB3 PHE A 69 3.041 -8.160 8.240 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.594 -6.357 6.169 1.00 0.00 H new ATOM 0 HD2 PHE A 69 4.404 -7.665 10.044 1.00 0.00 H new ATOM 0 HE1 PHE A 69 7.530 -5.204 7.151 1.00 0.00 H new ATOM 0 HE2 PHE A 69 6.336 -6.510 11.029 1.00 0.00 H new ATOM 0 HZ PHE A 69 7.906 -5.282 9.583 1.00 0.00 H new ATOM 1091 N ASP A 70 5.815 -10.542 7.099 1.00 0.00 N ATOM 1092 CA ASP A 70 6.430 -11.643 7.831 1.00 0.00 C ATOM 1093 C ASP A 70 5.674 -12.946 7.588 1.00 0.00 C ATOM 1094 O ASP A 70 5.651 -13.831 8.442 1.00 0.00 O ATOM 1095 CB ASP A 70 6.466 -11.332 9.328 1.00 0.00 C ATOM 1096 CG ASP A 70 7.461 -12.198 10.075 1.00 0.00 C ATOM 1097 OD1 ASP A 70 7.084 -13.316 10.485 1.00 0.00 O ATOM 1098 OD2 ASP A 70 8.617 -11.758 10.251 1.00 0.00 O ATOM 0 H ASP A 70 6.407 -10.133 6.376 1.00 0.00 H new ATOM 0 HA ASP A 70 7.451 -11.762 7.468 1.00 0.00 H new ATOM 0 HB2 ASP A 70 6.722 -10.282 9.472 1.00 0.00 H new ATOM 0 HB3 ASP A 70 5.472 -11.478 9.751 1.00 0.00 H new ATOM 1103 N GLY A 71 5.055 -13.055 6.416 1.00 0.00 N ATOM 1104 CA GLY A 71 4.305 -14.252 6.082 1.00 0.00 C ATOM 1105 C GLY A 71 2.982 -14.332 6.817 1.00 0.00 C ATOM 1106 O GLY A 71 2.558 -15.411 7.228 1.00 0.00 O ATOM 0 H GLY A 71 5.060 -12.336 5.692 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.122 -14.274 5.008 1.00 0.00 H new ATOM 0 HA3 GLY A 71 4.904 -15.131 6.322 1.00 0.00 H new ATOM 1110 N GLN A 72 2.329 -13.186 6.983 1.00 0.00 N ATOM 1111 CA GLN A 72 1.048 -13.131 7.677 1.00 0.00 C ATOM 1112 C GLN A 72 0.064 -12.236 6.931 1.00 0.00 C ATOM 1113 O GLN A 72 0.420 -11.178 6.412 1.00 0.00 O ATOM 1114 CB GLN A 72 1.238 -12.620 9.106 1.00 0.00 C ATOM 1115 CG GLN A 72 1.922 -13.620 10.023 1.00 0.00 C ATOM 1116 CD GLN A 72 0.957 -14.634 10.604 1.00 0.00 C ATOM 1117 OE1 GLN A 72 0.511 -15.550 9.913 1.00 0.00 O ATOM 1118 NE2 GLN A 72 0.629 -14.475 11.881 1.00 0.00 N ATOM 0 H GLN A 72 2.666 -12.284 6.647 1.00 0.00 H new ATOM 0 HA GLN A 72 0.639 -14.141 7.712 1.00 0.00 H new ATOM 0 HB2 GLN A 72 1.826 -11.702 9.080 1.00 0.00 H new ATOM 0 HB3 GLN A 72 0.265 -12.363 9.524 1.00 0.00 H new ATOM 0 HG2 GLN A 72 2.701 -14.142 9.468 1.00 0.00 H new ATOM 0 HG3 GLN A 72 2.414 -13.085 10.835 1.00 0.00 H new ATOM 0 HE21 GLN A 72 1.023 -13.701 12.416 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -0.017 -15.127 12.327 1.00 0.00 H new ATOM 1127 N PRO A 73 -1.205 -12.668 6.874 1.00 0.00 N ATOM 1128 CA PRO A 73 -2.267 -11.921 6.194 1.00 0.00 C ATOM 1129 C PRO A 73 -2.634 -10.637 6.930 1.00 0.00 C ATOM 1130 O PRO A 73 -3.141 -10.677 8.052 1.00 0.00 O ATOM 1131 CB PRO A 73 -3.446 -12.896 6.199 1.00 0.00 C ATOM 1132 CG PRO A 73 -3.194 -13.790 7.365 1.00 0.00 C ATOM 1133 CD PRO A 73 -1.700 -13.921 7.471 1.00 0.00 C ATOM 0 HA PRO A 73 -1.966 -11.601 5.197 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -4.395 -12.369 6.302 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.495 -13.463 5.269 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.615 -13.368 8.278 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -3.662 -14.764 7.219 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.378 -14.027 8.507 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -1.334 -14.795 6.932 1.00 0.00 H new ATOM 1141 N ILE A 74 -2.376 -9.500 6.292 1.00 0.00 N ATOM 1142 CA ILE A 74 -2.682 -8.205 6.886 1.00 0.00 C ATOM 1143 C ILE A 74 -3.892 -7.564 6.215 1.00 0.00 C ATOM 1144 O ILE A 74 -4.185 -7.835 5.051 1.00 0.00 O ATOM 1145 CB ILE A 74 -1.484 -7.243 6.786 1.00 0.00 C ATOM 1146 CG1 ILE A 74 -0.918 -7.245 5.364 1.00 0.00 C ATOM 1147 CG2 ILE A 74 -0.408 -7.629 7.790 1.00 0.00 C ATOM 1148 CD1 ILE A 74 0.098 -6.151 5.117 1.00 0.00 C ATOM 0 H ILE A 74 -1.956 -9.450 5.364 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.906 -8.385 7.937 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.827 -6.235 7.020 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.454 -8.212 5.167 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -1.738 -7.135 4.655 1.00 0.00 H new ATOM 0 HG21 ILE A 74 0.432 -6.939 7.706 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.818 -7.581 8.799 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.066 -8.643 7.585 1.00 0.00 H new ATOM 0 HD11 ILE A 74 0.457 -6.213 4.089 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -0.367 -5.179 5.281 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.937 -6.272 5.802 1.00 0.00 H new ATOM 1160 N ASN A 75 -4.590 -6.711 6.957 1.00 0.00 N ATOM 1161 CA ASN A 75 -5.769 -6.029 6.433 1.00 0.00 C ATOM 1162 C ASN A 75 -5.661 -4.521 6.639 1.00 0.00 C ATOM 1163 O ASN A 75 -4.963 -4.057 7.539 1.00 0.00 O ATOM 1164 CB ASN A 75 -7.034 -6.559 7.111 1.00 0.00 C ATOM 1165 CG ASN A 75 -7.520 -7.857 6.495 1.00 0.00 C ATOM 1166 OD1 ASN A 75 -8.510 -7.877 5.764 1.00 0.00 O ATOM 1167 ND2 ASN A 75 -6.823 -8.948 6.789 1.00 0.00 N ATOM 0 H ASN A 75 -4.360 -6.475 7.922 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.828 -6.228 5.363 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -6.836 -6.715 8.172 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -7.822 -5.809 7.041 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -7.102 -9.850 6.404 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -6.009 -8.884 7.400 1.00 0.00 H new ATOM 1174 N GLU A 76 -6.359 -3.763 5.799 1.00 0.00 N ATOM 1175 CA GLU A 76 -6.342 -2.308 5.889 1.00 0.00 C ATOM 1176 C GLU A 76 -6.738 -1.845 7.288 1.00 0.00 C ATOM 1177 O GLU A 76 -6.252 -0.826 7.779 1.00 0.00 O ATOM 1178 CB GLU A 76 -7.287 -1.699 4.851 1.00 0.00 C ATOM 1179 CG GLU A 76 -8.653 -2.363 4.809 1.00 0.00 C ATOM 1180 CD GLU A 76 -9.590 -1.705 3.815 1.00 0.00 C ATOM 1181 OE1 GLU A 76 -10.297 -0.753 4.207 1.00 0.00 O ATOM 1182 OE2 GLU A 76 -9.618 -2.142 2.645 1.00 0.00 O ATOM 0 H GLU A 76 -6.943 -4.132 5.049 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.326 -1.969 5.687 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.414 -0.638 5.066 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.826 -1.772 3.866 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.534 -3.415 4.549 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -9.100 -2.329 5.802 1.00 0.00 H new ATOM 1189 N THR A 77 -7.626 -2.602 7.926 1.00 0.00 N ATOM 1190 CA THR A 77 -8.090 -2.269 9.267 1.00 0.00 C ATOM 1191 C THR A 77 -6.974 -2.436 10.292 1.00 0.00 C ATOM 1192 O THR A 77 -6.909 -1.702 11.278 1.00 0.00 O ATOM 1193 CB THR A 77 -9.287 -3.146 9.680 1.00 0.00 C ATOM 1194 OG1 THR A 77 -8.934 -4.531 9.591 1.00 0.00 O ATOM 1195 CG2 THR A 77 -10.493 -2.867 8.797 1.00 0.00 C ATOM 0 H THR A 77 -8.038 -3.449 7.535 1.00 0.00 H new ATOM 0 HA THR A 77 -8.404 -1.226 9.243 1.00 0.00 H new ATOM 0 HB THR A 77 -9.548 -2.904 10.710 1.00 0.00 H new ATOM 0 HG1 THR A 77 -9.700 -5.082 9.857 1.00 0.00 H new ATOM 0 HG21 THR A 77 -11.325 -3.498 9.108 1.00 0.00 H new ATOM 0 HG22 THR A 77 -10.778 -1.819 8.890 1.00 0.00 H new ATOM 0 HG23 THR A 77 -10.242 -3.084 7.759 1.00 0.00 H new ATOM 1203 N ASP A 78 -6.098 -3.406 10.053 1.00 0.00 N ATOM 1204 CA ASP A 78 -4.983 -3.668 10.955 1.00 0.00 C ATOM 1205 C ASP A 78 -4.033 -2.475 11.006 1.00 0.00 C ATOM 1206 O ASP A 78 -4.176 -1.520 10.242 1.00 0.00 O ATOM 1207 CB ASP A 78 -4.225 -4.921 10.513 1.00 0.00 C ATOM 1208 CG ASP A 78 -4.956 -6.198 10.878 1.00 0.00 C ATOM 1209 OD1 ASP A 78 -5.196 -6.420 12.083 1.00 0.00 O ATOM 1210 OD2 ASP A 78 -5.287 -6.976 9.958 1.00 0.00 O ATOM 0 H ASP A 78 -6.139 -4.024 9.242 1.00 0.00 H new ATOM 0 HA ASP A 78 -5.387 -3.831 11.954 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -4.073 -4.888 9.434 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -3.237 -4.926 10.974 1.00 0.00 H new ATOM 1215 N THR A 79 -3.061 -2.537 11.911 1.00 0.00 N ATOM 1216 CA THR A 79 -2.089 -1.462 12.064 1.00 0.00 C ATOM 1217 C THR A 79 -0.663 -2.000 12.021 1.00 0.00 C ATOM 1218 O THR A 79 -0.413 -3.181 12.259 1.00 0.00 O ATOM 1219 CB THR A 79 -2.298 -0.698 13.385 1.00 0.00 C ATOM 1220 OG1 THR A 79 -2.692 -1.606 14.419 1.00 0.00 O ATOM 1221 CG2 THR A 79 -3.356 0.383 13.223 1.00 0.00 C ATOM 0 H THR A 79 -2.926 -3.321 12.549 1.00 0.00 H new ATOM 0 HA THR A 79 -2.242 -0.777 11.230 1.00 0.00 H new ATOM 0 HB THR A 79 -1.355 -0.224 13.658 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.821 -1.113 15.256 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.486 0.909 14.169 1.00 0.00 H new ATOM 0 HG22 THR A 79 -3.040 1.089 12.455 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.301 -0.074 12.929 1.00 0.00 H new ATOM 1229 N PRO A 80 0.295 -1.114 11.712 1.00 0.00 N ATOM 1230 CA PRO A 80 1.713 -1.477 11.633 1.00 0.00 C ATOM 1231 C PRO A 80 2.308 -1.792 13.001 1.00 0.00 C ATOM 1232 O PRO A 80 3.249 -2.577 13.113 1.00 0.00 O ATOM 1233 CB PRO A 80 2.367 -0.227 11.040 1.00 0.00 C ATOM 1234 CG PRO A 80 1.456 0.891 11.415 1.00 0.00 C ATOM 1235 CD PRO A 80 0.069 0.311 11.417 1.00 0.00 C ATOM 0 HA PRO A 80 1.870 -2.378 11.041 1.00 0.00 H new ATOM 0 HB2 PRO A 80 3.368 -0.074 11.444 1.00 0.00 H new ATOM 0 HB3 PRO A 80 2.469 -0.309 9.958 1.00 0.00 H new ATOM 0 HG2 PRO A 80 1.713 1.292 12.396 1.00 0.00 H new ATOM 0 HG3 PRO A 80 1.534 1.713 10.704 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -0.562 0.782 12.170 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -0.425 0.449 10.455 1.00 0.00 H new ATOM 1243 N ALA A 81 1.753 -1.175 14.039 1.00 0.00 N ATOM 1244 CA ALA A 81 2.228 -1.391 15.400 1.00 0.00 C ATOM 1245 C ALA A 81 1.781 -2.750 15.927 1.00 0.00 C ATOM 1246 O ALA A 81 2.369 -3.285 16.867 1.00 0.00 O ATOM 1247 CB ALA A 81 1.735 -0.280 16.314 1.00 0.00 C ATOM 0 H ALA A 81 0.974 -0.521 13.963 1.00 0.00 H new ATOM 0 HA ALA A 81 3.318 -1.376 15.385 1.00 0.00 H new ATOM 0 HB1 ALA A 81 2.097 -0.455 17.327 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.109 0.679 15.955 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.645 -0.267 16.316 1.00 0.00 H new ATOM 1253 N GLN A 82 0.738 -3.303 15.317 1.00 0.00 N ATOM 1254 CA GLN A 82 0.212 -4.599 15.727 1.00 0.00 C ATOM 1255 C GLN A 82 1.094 -5.732 15.213 1.00 0.00 C ATOM 1256 O GLN A 82 1.240 -6.765 15.867 1.00 0.00 O ATOM 1257 CB GLN A 82 -1.219 -4.778 15.216 1.00 0.00 C ATOM 1258 CG GLN A 82 -1.970 -5.913 15.894 1.00 0.00 C ATOM 1259 CD GLN A 82 -2.624 -5.485 17.193 1.00 0.00 C ATOM 1260 OE1 GLN A 82 -1.946 -5.230 18.188 1.00 0.00 O ATOM 1261 NE2 GLN A 82 -3.950 -5.404 17.190 1.00 0.00 N ATOM 0 H GLN A 82 0.241 -2.874 14.537 1.00 0.00 H new ATOM 0 HA GLN A 82 0.208 -4.632 16.816 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -1.769 -3.849 15.367 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -1.192 -4.962 14.142 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -2.733 -6.295 15.216 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -1.280 -6.733 16.092 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -4.473 -5.625 16.342 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -4.446 -5.121 18.035 1.00 0.00 H new ATOM 1270 N LEU A 83 1.679 -5.532 14.037 1.00 0.00 N ATOM 1271 CA LEU A 83 2.547 -6.538 13.434 1.00 0.00 C ATOM 1272 C LEU A 83 3.973 -6.413 13.960 1.00 0.00 C ATOM 1273 O LEU A 83 4.891 -7.053 13.450 1.00 0.00 O ATOM 1274 CB LEU A 83 2.540 -6.398 11.910 1.00 0.00 C ATOM 1275 CG LEU A 83 1.163 -6.353 11.247 1.00 0.00 C ATOM 1276 CD1 LEU A 83 1.217 -5.544 9.960 1.00 0.00 C ATOM 1277 CD2 LEU A 83 0.656 -7.761 10.973 1.00 0.00 C ATOM 0 H LEU A 83 1.568 -4.683 13.482 1.00 0.00 H new ATOM 0 HA LEU A 83 2.164 -7.522 13.705 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.078 -5.488 11.646 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.098 -7.233 11.486 1.00 0.00 H new ATOM 0 HG LEU A 83 0.468 -5.865 11.930 1.00 0.00 H new ATOM 0 HD11 LEU A 83 0.228 -5.523 9.502 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.535 -4.526 10.183 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.926 -6.003 9.271 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.325 -7.709 10.501 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.351 -8.275 10.309 1.00 0.00 H new ATOM 0 HD23 LEU A 83 0.578 -8.309 11.912 1.00 0.00 H new ATOM 1289 N GLU A 84 4.149 -5.585 14.986 1.00 0.00 N ATOM 1290 CA GLU A 84 5.464 -5.378 15.582 1.00 0.00 C ATOM 1291 C GLU A 84 6.407 -4.696 14.596 1.00 0.00 C ATOM 1292 O GLU A 84 7.565 -5.089 14.456 1.00 0.00 O ATOM 1293 CB GLU A 84 6.059 -6.713 16.035 1.00 0.00 C ATOM 1294 CG GLU A 84 5.175 -7.476 17.007 1.00 0.00 C ATOM 1295 CD GLU A 84 5.905 -8.618 17.687 1.00 0.00 C ATOM 1296 OE1 GLU A 84 6.131 -9.653 17.026 1.00 0.00 O ATOM 1297 OE2 GLU A 84 6.249 -8.477 18.879 1.00 0.00 O ATOM 0 H GLU A 84 3.399 -5.048 15.421 1.00 0.00 H new ATOM 0 HA GLU A 84 5.343 -4.729 16.450 1.00 0.00 H new ATOM 0 HB2 GLU A 84 6.242 -7.335 15.159 1.00 0.00 H new ATOM 0 HB3 GLU A 84 7.026 -6.530 16.504 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.797 -6.789 17.764 1.00 0.00 H new ATOM 0 HG3 GLU A 84 4.310 -7.869 16.473 1.00 0.00 H new ATOM 1304 N MET A 85 5.903 -3.673 13.915 1.00 0.00 N ATOM 1305 CA MET A 85 6.700 -2.936 12.942 1.00 0.00 C ATOM 1306 C MET A 85 7.488 -1.819 13.619 1.00 0.00 C ATOM 1307 O MET A 85 6.966 -1.115 14.482 1.00 0.00 O ATOM 1308 CB MET A 85 5.801 -2.351 11.851 1.00 0.00 C ATOM 1309 CG MET A 85 5.042 -3.404 11.060 1.00 0.00 C ATOM 1310 SD MET A 85 4.123 -2.705 9.675 1.00 0.00 S ATOM 1311 CE MET A 85 4.332 -3.990 8.446 1.00 0.00 C ATOM 0 H MET A 85 4.946 -3.335 14.019 1.00 0.00 H new ATOM 0 HA MET A 85 7.405 -3.632 12.487 1.00 0.00 H new ATOM 0 HB2 MET A 85 5.086 -1.667 12.309 1.00 0.00 H new ATOM 0 HB3 MET A 85 6.411 -1.763 11.165 1.00 0.00 H new ATOM 0 HG2 MET A 85 5.745 -4.148 10.686 1.00 0.00 H new ATOM 0 HG3 MET A 85 4.351 -3.924 11.724 1.00 0.00 H new ATOM 0 HE1 MET A 85 3.652 -3.811 7.613 1.00 0.00 H new ATOM 0 HE2 MET A 85 5.360 -3.983 8.084 1.00 0.00 H new ATOM 0 HE3 MET A 85 4.111 -4.960 8.892 1.00 0.00 H new ATOM 1321 N GLU A 86 8.748 -1.665 13.222 1.00 0.00 N ATOM 1322 CA GLU A 86 9.607 -0.634 13.793 1.00 0.00 C ATOM 1323 C GLU A 86 10.021 0.380 12.730 1.00 0.00 C ATOM 1324 O GLU A 86 9.688 1.562 12.821 1.00 0.00 O ATOM 1325 CB GLU A 86 10.850 -1.266 14.422 1.00 0.00 C ATOM 1326 CG GLU A 86 11.200 -2.627 13.844 1.00 0.00 C ATOM 1327 CD GLU A 86 10.134 -3.670 14.121 1.00 0.00 C ATOM 1328 OE1 GLU A 86 9.472 -3.577 15.176 1.00 0.00 O ATOM 1329 OE2 GLU A 86 9.962 -4.579 13.282 1.00 0.00 O ATOM 0 H GLU A 86 9.196 -2.240 12.508 1.00 0.00 H new ATOM 0 HA GLU A 86 9.042 -0.113 14.566 1.00 0.00 H new ATOM 0 HB2 GLU A 86 11.697 -0.594 14.286 1.00 0.00 H new ATOM 0 HB3 GLU A 86 10.692 -1.366 15.496 1.00 0.00 H new ATOM 0 HG2 GLU A 86 11.342 -2.535 12.767 1.00 0.00 H new ATOM 0 HG3 GLU A 86 12.149 -2.962 14.263 1.00 0.00 H new ATOM 1336 N ASP A 87 10.748 -0.091 11.724 1.00 0.00 N ATOM 1337 CA ASP A 87 11.208 0.773 10.642 1.00 0.00 C ATOM 1338 C ASP A 87 11.923 -0.037 9.566 1.00 0.00 C ATOM 1339 O ASP A 87 12.201 -1.222 9.750 1.00 0.00 O ATOM 1340 CB ASP A 87 12.140 1.856 11.188 1.00 0.00 C ATOM 1341 CG ASP A 87 12.585 2.830 10.115 1.00 0.00 C ATOM 1342 OD1 ASP A 87 11.713 3.356 9.392 1.00 0.00 O ATOM 1343 OD2 ASP A 87 13.806 3.068 9.999 1.00 0.00 O ATOM 0 H ASP A 87 11.032 -1.067 11.634 1.00 0.00 H new ATOM 0 HA ASP A 87 10.336 1.248 10.193 1.00 0.00 H new ATOM 0 HB2 ASP A 87 11.632 2.402 11.983 1.00 0.00 H new ATOM 0 HB3 ASP A 87 13.016 1.386 11.634 1.00 0.00 H new ATOM 1348 N GLU A 88 12.217 0.610 8.443 1.00 0.00 N ATOM 1349 CA GLU A 88 12.899 -0.052 7.336 1.00 0.00 C ATOM 1350 C GLU A 88 12.385 -1.477 7.156 1.00 0.00 C ATOM 1351 O GLU A 88 13.091 -2.342 6.636 1.00 0.00 O ATOM 1352 CB GLU A 88 14.410 -0.069 7.576 1.00 0.00 C ATOM 1353 CG GLU A 88 15.064 1.296 7.436 1.00 0.00 C ATOM 1354 CD GLU A 88 16.575 1.212 7.343 1.00 0.00 C ATOM 1355 OE1 GLU A 88 17.213 0.870 8.360 1.00 0.00 O ATOM 1356 OE2 GLU A 88 17.118 1.488 6.253 1.00 0.00 O ATOM 0 H GLU A 88 11.994 1.591 8.275 1.00 0.00 H new ATOM 0 HA GLU A 88 12.690 0.509 6.425 1.00 0.00 H new ATOM 0 HB2 GLU A 88 14.606 -0.456 8.576 1.00 0.00 H new ATOM 0 HB3 GLU A 88 14.874 -0.759 6.871 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.676 1.791 6.546 1.00 0.00 H new ATOM 0 HG3 GLU A 88 14.790 1.915 8.290 1.00 0.00 H new ATOM 1363 N ASP A 89 11.152 -1.715 7.590 1.00 0.00 N ATOM 1364 CA ASP A 89 10.543 -3.035 7.477 1.00 0.00 C ATOM 1365 C ASP A 89 10.414 -3.451 6.015 1.00 0.00 C ATOM 1366 O ASP A 89 10.875 -2.747 5.115 1.00 0.00 O ATOM 1367 CB ASP A 89 9.167 -3.044 8.145 1.00 0.00 C ATOM 1368 CG ASP A 89 9.206 -2.492 9.557 1.00 0.00 C ATOM 1369 OD1 ASP A 89 9.859 -3.115 10.419 1.00 0.00 O ATOM 1370 OD2 ASP A 89 8.582 -1.437 9.799 1.00 0.00 O ATOM 0 H ASP A 89 10.555 -1.011 8.023 1.00 0.00 H new ATOM 0 HA ASP A 89 11.190 -3.751 7.984 1.00 0.00 H new ATOM 0 HB2 ASP A 89 8.472 -2.455 7.547 1.00 0.00 H new ATOM 0 HB3 ASP A 89 8.784 -4.064 8.167 1.00 0.00 H new ATOM 1375 N THR A 90 9.786 -4.599 5.784 1.00 0.00 N ATOM 1376 CA THR A 90 9.599 -5.110 4.432 1.00 0.00 C ATOM 1377 C THR A 90 8.203 -5.697 4.254 1.00 0.00 C ATOM 1378 O THR A 90 7.779 -6.557 5.027 1.00 0.00 O ATOM 1379 CB THR A 90 10.644 -6.187 4.089 1.00 0.00 C ATOM 1380 OG1 THR A 90 11.962 -5.695 4.357 1.00 0.00 O ATOM 1381 CG2 THR A 90 10.539 -6.598 2.627 1.00 0.00 C ATOM 0 H THR A 90 9.398 -5.193 6.517 1.00 0.00 H new ATOM 0 HA THR A 90 9.724 -4.265 3.755 1.00 0.00 H new ATOM 0 HB THR A 90 10.449 -7.061 4.711 1.00 0.00 H new ATOM 0 HG1 THR A 90 12.620 -6.387 4.137 1.00 0.00 H new ATOM 0 HG21 THR A 90 11.287 -7.360 2.409 1.00 0.00 H new ATOM 0 HG22 THR A 90 9.545 -7.000 2.433 1.00 0.00 H new ATOM 0 HG23 THR A 90 10.710 -5.729 1.992 1.00 0.00 H new ATOM 1389 N ILE A 91 7.495 -5.228 3.233 1.00 0.00 N ATOM 1390 CA ILE A 91 6.147 -5.709 2.954 1.00 0.00 C ATOM 1391 C ILE A 91 6.132 -6.624 1.734 1.00 0.00 C ATOM 1392 O ILE A 91 6.899 -6.431 0.791 1.00 0.00 O ATOM 1393 CB ILE A 91 5.170 -4.542 2.719 1.00 0.00 C ATOM 1394 CG1 ILE A 91 5.404 -3.437 3.751 1.00 0.00 C ATOM 1395 CG2 ILE A 91 3.732 -5.035 2.780 1.00 0.00 C ATOM 1396 CD1 ILE A 91 4.358 -2.345 3.715 1.00 0.00 C ATOM 0 H ILE A 91 7.832 -4.516 2.585 1.00 0.00 H new ATOM 0 HA ILE A 91 5.824 -6.271 3.831 1.00 0.00 H new ATOM 0 HB ILE A 91 5.351 -4.130 1.726 1.00 0.00 H new ATOM 0 HG12 ILE A 91 5.422 -3.879 4.747 1.00 0.00 H new ATOM 0 HG13 ILE A 91 6.386 -2.994 3.581 1.00 0.00 H new ATOM 0 HG21 ILE A 91 3.053 -4.199 2.612 1.00 0.00 H new ATOM 0 HG22 ILE A 91 3.574 -5.791 2.011 1.00 0.00 H new ATOM 0 HG23 ILE A 91 3.537 -5.469 3.761 1.00 0.00 H new ATOM 0 HD11 ILE A 91 4.588 -1.596 4.473 1.00 0.00 H new ATOM 0 HD12 ILE A 91 4.355 -1.876 2.731 1.00 0.00 H new ATOM 0 HD13 ILE A 91 3.376 -2.775 3.915 1.00 0.00 H new ATOM 1408 N ASP A 92 5.252 -7.619 1.758 1.00 0.00 N ATOM 1409 CA ASP A 92 5.134 -8.562 0.653 1.00 0.00 C ATOM 1410 C ASP A 92 3.847 -8.322 -0.131 1.00 0.00 C ATOM 1411 O ASP A 92 2.749 -8.392 0.421 1.00 0.00 O ATOM 1412 CB ASP A 92 5.167 -9.999 1.175 1.00 0.00 C ATOM 1413 CG ASP A 92 5.765 -10.966 0.172 1.00 0.00 C ATOM 1414 OD1 ASP A 92 5.109 -11.235 -0.856 1.00 0.00 O ATOM 1415 OD2 ASP A 92 6.889 -11.454 0.415 1.00 0.00 O ATOM 0 H ASP A 92 4.610 -7.793 2.531 1.00 0.00 H new ATOM 0 HA ASP A 92 5.980 -8.407 -0.016 1.00 0.00 H new ATOM 0 HB2 ASP A 92 5.745 -10.034 2.098 1.00 0.00 H new ATOM 0 HB3 ASP A 92 4.154 -10.316 1.422 1.00 0.00 H new ATOM 1420 N VAL A 93 3.991 -8.038 -1.422 1.00 0.00 N ATOM 1421 CA VAL A 93 2.841 -7.788 -2.283 1.00 0.00 C ATOM 1422 C VAL A 93 3.040 -8.408 -3.661 1.00 0.00 C ATOM 1423 O VAL A 93 4.143 -8.391 -4.208 1.00 0.00 O ATOM 1424 CB VAL A 93 2.578 -6.279 -2.444 1.00 0.00 C ATOM 1425 CG1 VAL A 93 1.375 -6.039 -3.343 1.00 0.00 C ATOM 1426 CG2 VAL A 93 2.378 -5.625 -1.085 1.00 0.00 C ATOM 0 H VAL A 93 4.893 -7.975 -1.894 1.00 0.00 H new ATOM 0 HA VAL A 93 1.979 -8.250 -1.801 1.00 0.00 H new ATOM 0 HB VAL A 93 3.449 -5.825 -2.915 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.205 -4.967 -3.445 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.563 -6.471 -4.326 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.494 -6.506 -2.904 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.193 -4.559 -1.218 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.524 -6.081 -0.584 1.00 0.00 H new ATOM 0 HG23 VAL A 93 3.273 -5.765 -0.478 1.00 0.00 H new ATOM 1436 N PHE A 94 1.965 -8.956 -4.218 1.00 0.00 N ATOM 1437 CA PHE A 94 2.021 -9.583 -5.534 1.00 0.00 C ATOM 1438 C PHE A 94 1.336 -8.710 -6.582 1.00 0.00 C ATOM 1439 O PHE A 94 0.114 -8.566 -6.581 1.00 0.00 O ATOM 1440 CB PHE A 94 1.362 -10.963 -5.493 1.00 0.00 C ATOM 1441 CG PHE A 94 1.795 -11.800 -4.323 1.00 0.00 C ATOM 1442 CD1 PHE A 94 1.299 -11.549 -3.054 1.00 0.00 C ATOM 1443 CD2 PHE A 94 2.697 -12.837 -4.493 1.00 0.00 C ATOM 1444 CE1 PHE A 94 1.697 -12.317 -1.976 1.00 0.00 C ATOM 1445 CE2 PHE A 94 3.098 -13.609 -3.419 1.00 0.00 C ATOM 1446 CZ PHE A 94 2.596 -13.349 -2.159 1.00 0.00 C ATOM 0 H PHE A 94 1.045 -8.979 -3.779 1.00 0.00 H new ATOM 0 HA PHE A 94 3.069 -9.697 -5.811 1.00 0.00 H new ATOM 0 HB2 PHE A 94 0.280 -10.839 -5.460 1.00 0.00 H new ATOM 0 HB3 PHE A 94 1.594 -11.495 -6.416 1.00 0.00 H new ATOM 0 HD1 PHE A 94 0.594 -10.745 -2.906 1.00 0.00 H new ATOM 0 HD2 PHE A 94 3.092 -13.045 -5.477 1.00 0.00 H new ATOM 0 HE1 PHE A 94 1.305 -12.110 -0.991 1.00 0.00 H new ATOM 0 HE2 PHE A 94 3.803 -14.414 -3.565 1.00 0.00 H new ATOM 0 HZ PHE A 94 2.906 -13.952 -1.318 1.00 0.00 H new ATOM 1456 N GLN A 95 2.134 -8.131 -7.473 1.00 0.00 N ATOM 1457 CA GLN A 95 1.605 -7.272 -8.526 1.00 0.00 C ATOM 1458 C GLN A 95 1.248 -8.086 -9.765 1.00 0.00 C ATOM 1459 O GLN A 95 2.124 -8.643 -10.426 1.00 0.00 O ATOM 1460 CB GLN A 95 2.622 -6.189 -8.889 1.00 0.00 C ATOM 1461 CG GLN A 95 2.581 -4.982 -7.966 1.00 0.00 C ATOM 1462 CD GLN A 95 3.085 -3.718 -8.634 1.00 0.00 C ATOM 1463 OE1 GLN A 95 3.187 -3.648 -9.860 1.00 0.00 O ATOM 1464 NE2 GLN A 95 3.404 -2.710 -7.831 1.00 0.00 N ATOM 0 H GLN A 95 3.148 -8.241 -7.487 1.00 0.00 H new ATOM 0 HA GLN A 95 0.698 -6.798 -8.151 1.00 0.00 H new ATOM 0 HB2 GLN A 95 3.623 -6.620 -8.866 1.00 0.00 H new ATOM 0 HB3 GLN A 95 2.440 -5.860 -9.912 1.00 0.00 H new ATOM 0 HG2 GLN A 95 1.558 -4.825 -7.625 1.00 0.00 H new ATOM 0 HG3 GLN A 95 3.184 -5.186 -7.081 1.00 0.00 H new ATOM 0 HE21 GLN A 95 3.304 -2.811 -6.821 1.00 0.00 H new ATOM 0 HE22 GLN A 95 3.749 -1.834 -8.224 1.00 0.00 H new