USER MOD reduce.3.24.130724 H: found=0, std=0, add=457, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 460 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 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 59:sc= 0.975 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -2.05! C(o=-2!,f=-2.9!) USER MOD Single : A 50 MET CE :methyl -178:sc=-0.00814 (180deg=-0.00963) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot -60:sc= 0.00466 USER MOD Single : A 67 THR OG1 : rot -170:sc= 0.00524 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 120:sc= 1.99 USER MOD Single : A 76 ASN : amide:sc= -10.5! C(o=-10!,f=-18!) USER MOD Single : A 77 TYR OH : rot 10:sc= 0.158 USER MOD Single : A 83 SER OG : rot -54:sc= 0.26 USER MOD ----------------------------------------------------------------- ATOM 323 N ILE A 26 -3.343 -8.603 -15.522 1.00 0.00 N ATOM 324 CA ILE A 26 -2.551 -7.393 -15.666 1.00 0.00 C ATOM 325 C ILE A 26 -1.477 -7.359 -14.576 1.00 0.00 C ATOM 326 O ILE A 26 -1.739 -6.931 -13.454 1.00 0.00 O ATOM 327 CB ILE A 26 -3.456 -6.159 -15.675 1.00 0.00 C ATOM 328 CG1 ILE A 26 -4.205 -6.039 -17.004 1.00 0.00 C ATOM 329 CG2 ILE A 26 -2.660 -4.893 -15.351 1.00 0.00 C ATOM 330 CD1 ILE A 26 -3.252 -5.669 -18.141 1.00 0.00 C ATOM 0 HA ILE A 26 -2.033 -7.388 -16.625 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.205 -6.279 -14.892 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.700 -6.983 -17.233 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -4.985 -5.283 -16.918 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.327 -4.031 -15.364 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.210 -4.989 -14.363 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.875 -4.756 -16.095 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.811 -5.590 -19.073 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.777 -4.713 -17.921 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.487 -6.440 -18.240 1.00 0.00 H new ATOM 342 N ILE A 27 -0.290 -7.816 -14.947 1.00 0.00 N ATOM 343 CA ILE A 27 0.825 -7.842 -14.016 1.00 0.00 C ATOM 344 C ILE A 27 1.494 -6.467 -13.988 1.00 0.00 C ATOM 345 O ILE A 27 1.853 -5.926 -15.032 1.00 0.00 O ATOM 346 CB ILE A 27 1.783 -8.985 -14.360 1.00 0.00 C ATOM 347 CG1 ILE A 27 1.013 -10.264 -14.696 1.00 0.00 C ATOM 348 CG2 ILE A 27 2.800 -9.205 -13.239 1.00 0.00 C ATOM 349 CD1 ILE A 27 0.363 -10.857 -13.445 1.00 0.00 C ATOM 0 H ILE A 27 -0.076 -8.171 -15.879 1.00 0.00 H new ATOM 0 HA ILE A 27 0.472 -8.045 -13.005 1.00 0.00 H new ATOM 0 HB ILE A 27 2.344 -8.704 -15.251 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.247 -10.047 -15.440 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.690 -10.994 -15.140 1.00 0.00 H new ATOM 0 HG21 ILE A 27 3.468 -10.023 -13.509 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.381 -8.295 -13.091 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.276 -9.455 -12.316 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.178 -11.765 -13.712 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.134 -11.096 -12.713 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.331 -10.133 -13.018 1.00 0.00 H new ATOM 361 N VAL A 28 1.640 -5.940 -12.780 1.00 0.00 N ATOM 362 CA VAL A 28 2.260 -4.639 -12.602 1.00 0.00 C ATOM 363 C VAL A 28 3.255 -4.706 -11.442 1.00 0.00 C ATOM 364 O VAL A 28 2.929 -5.210 -10.368 1.00 0.00 O ATOM 365 CB VAL A 28 1.182 -3.570 -12.404 1.00 0.00 C ATOM 366 CG1 VAL A 28 0.258 -3.492 -13.620 1.00 0.00 C ATOM 367 CG2 VAL A 28 0.386 -3.825 -11.124 1.00 0.00 C ATOM 0 H VAL A 28 1.339 -6.391 -11.916 1.00 0.00 H new ATOM 0 HA VAL A 28 2.820 -4.358 -13.494 1.00 0.00 H new ATOM 0 HB VAL A 28 1.680 -2.606 -12.301 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.499 -2.725 -13.454 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.842 -3.240 -14.505 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.229 -4.456 -13.769 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.373 -3.051 -11.007 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.096 -4.801 -11.184 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.059 -3.805 -10.267 1.00 0.00 H new ATOM 377 N VAL A 29 4.448 -4.192 -11.697 1.00 0.00 N ATOM 378 CA VAL A 29 5.493 -4.187 -10.688 1.00 0.00 C ATOM 379 C VAL A 29 5.424 -2.881 -9.893 1.00 0.00 C ATOM 380 O VAL A 29 5.237 -1.810 -10.468 1.00 0.00 O ATOM 381 CB VAL A 29 6.856 -4.416 -11.344 1.00 0.00 C ATOM 382 CG1 VAL A 29 7.354 -3.142 -12.033 1.00 0.00 C ATOM 383 CG2 VAL A 29 7.878 -4.922 -10.325 1.00 0.00 C ATOM 0 H VAL A 29 4.715 -3.775 -12.589 1.00 0.00 H new ATOM 0 HA VAL A 29 5.345 -5.005 -9.983 1.00 0.00 H new ATOM 0 HB VAL A 29 6.735 -5.185 -12.107 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.325 -3.332 -12.491 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.642 -2.842 -12.802 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.450 -2.344 -11.297 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.838 -5.076 -10.818 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.993 -4.186 -9.529 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.532 -5.865 -9.900 1.00 0.00 H new ATOM 393 N ALA A 30 5.579 -3.013 -8.584 1.00 0.00 N ATOM 394 CA ALA A 30 5.536 -1.857 -7.705 1.00 0.00 C ATOM 395 C ALA A 30 6.757 -0.974 -7.972 1.00 0.00 C ATOM 396 O ALA A 30 7.893 -1.402 -7.771 1.00 0.00 O ATOM 397 CB ALA A 30 5.461 -2.324 -6.250 1.00 0.00 C ATOM 0 H ALA A 30 5.735 -3.903 -8.111 1.00 0.00 H new ATOM 0 HA ALA A 30 4.646 -1.258 -7.901 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.429 -1.457 -5.591 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.562 -2.923 -6.106 1.00 0.00 H new ATOM 0 HB3 ALA A 30 6.339 -2.926 -6.015 1.00 0.00 H new ATOM 403 N LEU A 31 6.482 0.243 -8.417 1.00 0.00 N ATOM 404 CA LEU A 31 7.543 1.189 -8.713 1.00 0.00 C ATOM 405 C LEU A 31 8.168 1.673 -7.403 1.00 0.00 C ATOM 406 O LEU A 31 9.380 1.870 -7.326 1.00 0.00 O ATOM 407 CB LEU A 31 7.020 2.321 -9.600 1.00 0.00 C ATOM 408 CG LEU A 31 6.693 1.944 -11.046 1.00 0.00 C ATOM 409 CD1 LEU A 31 6.370 3.188 -11.877 1.00 0.00 C ATOM 410 CD2 LEU A 31 7.822 1.118 -11.666 1.00 0.00 C ATOM 0 H LEU A 31 5.539 0.596 -8.580 1.00 0.00 H new ATOM 0 HA LEU A 31 8.335 0.707 -9.286 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.121 2.730 -9.140 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.763 3.119 -9.613 1.00 0.00 H new ATOM 0 HG LEU A 31 5.801 1.318 -11.043 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.141 2.892 -12.901 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.510 3.700 -11.446 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.229 3.859 -11.877 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.564 0.863 -12.694 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.745 1.698 -11.656 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.962 0.203 -11.090 1.00 0.00 H new ATOM 422 N TYR A 32 7.314 1.849 -6.407 1.00 0.00 N ATOM 423 CA TYR A 32 7.767 2.307 -5.103 1.00 0.00 C ATOM 424 C TYR A 32 7.109 1.501 -3.981 1.00 0.00 C ATOM 425 O TYR A 32 6.004 0.988 -4.147 1.00 0.00 O ATOM 426 CB TYR A 32 7.328 3.768 -4.993 1.00 0.00 C ATOM 427 CG TYR A 32 7.351 4.527 -6.321 1.00 0.00 C ATOM 428 CD1 TYR A 32 8.519 5.124 -6.753 1.00 0.00 C ATOM 429 CD2 TYR A 32 6.207 4.616 -7.086 1.00 0.00 C ATOM 430 CE1 TYR A 32 8.542 5.839 -8.003 1.00 0.00 C ATOM 431 CE2 TYR A 32 6.230 5.332 -8.336 1.00 0.00 C ATOM 432 CZ TYR A 32 7.396 5.907 -8.732 1.00 0.00 C ATOM 433 OH TYR A 32 7.417 6.583 -9.912 1.00 0.00 O ATOM 0 H TYR A 32 6.310 1.683 -6.475 1.00 0.00 H new ATOM 0 HA TYR A 32 8.846 2.188 -5.007 1.00 0.00 H new ATOM 0 HB2 TYR A 32 6.318 3.803 -4.584 1.00 0.00 H new ATOM 0 HB3 TYR A 32 7.978 4.279 -4.283 1.00 0.00 H new ATOM 0 HD1 TYR A 32 9.415 5.055 -6.154 1.00 0.00 H new ATOM 0 HD2 TYR A 32 5.294 4.149 -6.748 1.00 0.00 H new ATOM 0 HE1 TYR A 32 9.448 6.310 -8.353 1.00 0.00 H new ATOM 0 HE2 TYR A 32 5.341 5.410 -8.944 1.00 0.00 H new ATOM 0 HH TYR A 32 6.529 6.548 -10.325 1.00 0.00 H new ATOM 443 N ASP A 33 7.817 1.418 -2.864 1.00 0.00 N ATOM 444 CA ASP A 33 7.315 0.684 -1.714 1.00 0.00 C ATOM 445 C ASP A 33 6.016 1.331 -1.230 1.00 0.00 C ATOM 446 O ASP A 33 5.915 2.554 -1.161 1.00 0.00 O ATOM 447 CB ASP A 33 8.319 0.716 -0.559 1.00 0.00 C ATOM 448 CG ASP A 33 9.783 0.547 -0.971 1.00 0.00 C ATOM 449 OD1 ASP A 33 10.084 -0.501 -1.580 1.00 0.00 O ATOM 450 OD2 ASP A 33 10.568 1.472 -0.667 1.00 0.00 O ATOM 0 H ASP A 33 8.733 1.846 -2.731 1.00 0.00 H new ATOM 0 HA ASP A 33 7.149 -0.349 -2.019 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.213 1.664 -0.031 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.062 -0.073 0.148 1.00 0.00 H new ATOM 455 N TYR A 34 5.054 0.479 -0.905 1.00 0.00 N ATOM 456 CA TYR A 34 3.765 0.952 -0.429 1.00 0.00 C ATOM 457 C TYR A 34 3.269 0.102 0.743 1.00 0.00 C ATOM 458 O TYR A 34 3.298 -1.126 0.680 1.00 0.00 O ATOM 459 CB TYR A 34 2.798 0.796 -1.603 1.00 0.00 C ATOM 460 CG TYR A 34 1.416 1.403 -1.357 1.00 0.00 C ATOM 461 CD1 TYR A 34 1.217 2.758 -1.532 1.00 0.00 C ATOM 462 CD2 TYR A 34 0.369 0.597 -0.958 1.00 0.00 C ATOM 463 CE1 TYR A 34 -0.084 3.329 -1.300 1.00 0.00 C ATOM 464 CE2 TYR A 34 -0.932 1.169 -0.726 1.00 0.00 C ATOM 465 CZ TYR A 34 -1.095 2.507 -0.909 1.00 0.00 C ATOM 466 OH TYR A 34 -2.324 3.048 -0.689 1.00 0.00 O ATOM 0 H TYR A 34 5.142 -0.536 -0.962 1.00 0.00 H new ATOM 0 HA TYR A 34 3.838 1.983 -0.083 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.236 1.262 -2.485 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.683 -0.265 -1.827 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.037 3.389 -1.843 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.525 -0.463 -0.820 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.254 4.387 -1.433 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.760 0.550 -0.414 1.00 0.00 H new ATOM 0 HH TYR A 34 -2.638 3.490 -1.506 1.00 0.00 H new ATOM 476 N GLU A 35 2.823 0.790 1.784 1.00 0.00 N ATOM 477 CA GLU A 35 2.321 0.114 2.967 1.00 0.00 C ATOM 478 C GLU A 35 0.914 0.611 3.306 1.00 0.00 C ATOM 479 O GLU A 35 0.685 1.147 4.389 1.00 0.00 O ATOM 480 CB GLU A 35 3.270 0.303 4.152 1.00 0.00 C ATOM 481 CG GLU A 35 4.097 -0.959 4.399 1.00 0.00 C ATOM 482 CD GLU A 35 5.494 -0.606 4.915 1.00 0.00 C ATOM 483 OE1 GLU A 35 5.580 -0.216 6.100 1.00 0.00 O ATOM 484 OE2 GLU A 35 6.445 -0.734 4.115 1.00 0.00 O ATOM 0 H GLU A 35 2.799 1.809 1.832 1.00 0.00 H new ATOM 0 HA GLU A 35 2.267 -0.954 2.755 1.00 0.00 H new ATOM 0 HB2 GLU A 35 3.934 1.145 3.960 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.697 0.547 5.046 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.588 -1.596 5.123 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.180 -1.530 3.475 1.00 0.00 H new ATOM 491 N ALA A 36 0.008 0.417 2.359 1.00 0.00 N ATOM 492 CA ALA A 36 -1.370 0.839 2.543 1.00 0.00 C ATOM 493 C ALA A 36 -1.393 2.191 3.260 1.00 0.00 C ATOM 494 O ALA A 36 -1.483 2.247 4.485 1.00 0.00 O ATOM 495 CB ALA A 36 -2.137 -0.239 3.310 1.00 0.00 C ATOM 0 H ALA A 36 0.202 -0.027 1.461 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.863 0.967 1.580 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.171 0.078 3.448 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.116 -1.172 2.746 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.672 -0.393 4.284 1.00 0.00 H new ATOM 569 N ASP A 41 -6.828 -0.518 0.598 1.00 0.00 N ATOM 570 CA ASP A 41 -5.636 -0.545 -0.234 1.00 0.00 C ATOM 571 C ASP A 41 -4.713 -1.668 0.242 1.00 0.00 C ATOM 572 O ASP A 41 -4.681 -1.989 1.430 1.00 0.00 O ATOM 573 CB ASP A 41 -4.866 0.774 -0.135 1.00 0.00 C ATOM 574 CG ASP A 41 -5.334 1.869 -1.095 1.00 0.00 C ATOM 575 OD1 ASP A 41 -5.943 1.501 -2.122 1.00 0.00 O ATOM 576 OD2 ASP A 41 -5.071 3.049 -0.781 1.00 0.00 O ATOM 0 HA ASP A 41 -5.948 -0.704 -1.266 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.946 1.148 0.886 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.810 0.576 -0.320 1.00 0.00 H new ATOM 581 N LEU A 42 -3.986 -2.236 -0.708 1.00 0.00 N ATOM 582 CA LEU A 42 -3.065 -3.317 -0.401 1.00 0.00 C ATOM 583 C LEU A 42 -1.657 -2.746 -0.221 1.00 0.00 C ATOM 584 O LEU A 42 -1.348 -1.672 -0.734 1.00 0.00 O ATOM 585 CB LEU A 42 -3.152 -4.414 -1.464 1.00 0.00 C ATOM 586 CG LEU A 42 -2.523 -5.758 -1.094 1.00 0.00 C ATOM 587 CD1 LEU A 42 -3.477 -6.594 -0.239 1.00 0.00 C ATOM 588 CD2 LEU A 42 -2.064 -6.512 -2.344 1.00 0.00 C ATOM 0 H LEU A 42 -4.016 -1.968 -1.692 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.339 -3.795 0.540 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.203 -4.580 -1.701 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.674 -4.050 -2.373 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.636 -5.564 -0.491 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.005 -7.544 0.010 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.711 -6.054 0.678 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.396 -6.780 -0.795 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.621 -7.464 -2.052 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.920 -6.694 -2.994 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.324 -5.915 -2.878 1.00 0.00 H new ATOM 600 N SER A 43 -0.841 -3.490 0.511 1.00 0.00 N ATOM 601 CA SER A 43 0.528 -3.071 0.765 1.00 0.00 C ATOM 602 C SER A 43 1.500 -3.963 -0.009 1.00 0.00 C ATOM 603 O SER A 43 1.322 -5.179 -0.068 1.00 0.00 O ATOM 604 CB SER A 43 0.848 -3.111 2.261 1.00 0.00 C ATOM 605 OG SER A 43 0.524 -4.371 2.842 1.00 0.00 O ATOM 0 H SER A 43 -1.101 -4.380 0.936 1.00 0.00 H new ATOM 0 HA SER A 43 0.639 -2.042 0.425 1.00 0.00 H new ATOM 0 HB2 SER A 43 1.908 -2.904 2.411 1.00 0.00 H new ATOM 0 HB3 SER A 43 0.294 -2.323 2.772 1.00 0.00 H new ATOM 0 HG SER A 43 0.744 -4.357 3.797 1.00 0.00 H new ATOM 611 N PHE A 44 2.509 -3.324 -0.583 1.00 0.00 N ATOM 612 CA PHE A 44 3.511 -4.044 -1.352 1.00 0.00 C ATOM 613 C PHE A 44 4.872 -3.352 -1.262 1.00 0.00 C ATOM 614 O PHE A 44 5.022 -2.356 -0.555 1.00 0.00 O ATOM 615 CB PHE A 44 3.045 -4.041 -2.809 1.00 0.00 C ATOM 616 CG PHE A 44 2.561 -2.676 -3.304 1.00 0.00 C ATOM 617 CD1 PHE A 44 3.453 -1.777 -3.800 1.00 0.00 C ATOM 618 CD2 PHE A 44 1.239 -2.362 -3.248 1.00 0.00 C ATOM 619 CE1 PHE A 44 3.003 -0.511 -4.260 1.00 0.00 C ATOM 620 CE2 PHE A 44 0.789 -1.097 -3.708 1.00 0.00 C ATOM 621 CZ PHE A 44 1.681 -0.198 -4.204 1.00 0.00 C ATOM 0 H PHE A 44 2.654 -2.316 -0.531 1.00 0.00 H new ATOM 0 HA PHE A 44 3.622 -5.056 -0.963 1.00 0.00 H new ATOM 0 HB2 PHE A 44 3.866 -4.376 -3.443 1.00 0.00 H new ATOM 0 HB3 PHE A 44 2.238 -4.765 -2.923 1.00 0.00 H new ATOM 0 HD1 PHE A 44 4.503 -2.026 -3.844 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.531 -3.076 -2.853 1.00 0.00 H new ATOM 0 HE1 PHE A 44 3.711 0.203 -4.654 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -0.261 -0.848 -3.664 1.00 0.00 H new ATOM 0 HZ PHE A 44 1.339 0.765 -4.554 1.00 0.00 H new ATOM 631 N GLN A 45 5.830 -3.906 -1.990 1.00 0.00 N ATOM 632 CA GLN A 45 7.175 -3.354 -2.002 1.00 0.00 C ATOM 633 C GLN A 45 7.611 -3.051 -3.437 1.00 0.00 C ATOM 634 O GLN A 45 7.090 -3.636 -4.385 1.00 0.00 O ATOM 635 CB GLN A 45 8.163 -4.302 -1.318 1.00 0.00 C ATOM 636 CG GLN A 45 7.925 -4.342 0.193 1.00 0.00 C ATOM 637 CD GLN A 45 8.506 -5.618 0.805 1.00 0.00 C ATOM 638 OE1 GLN A 45 9.676 -5.702 1.138 1.00 0.00 O ATOM 639 NE2 GLN A 45 7.624 -6.605 0.934 1.00 0.00 N ATOM 0 H GLN A 45 5.702 -4.731 -2.576 1.00 0.00 H new ATOM 0 HA GLN A 45 7.169 -2.420 -1.439 1.00 0.00 H new ATOM 0 HB2 GLN A 45 8.058 -5.304 -1.733 1.00 0.00 H new ATOM 0 HB3 GLN A 45 9.184 -3.978 -1.521 1.00 0.00 H new ATOM 0 HG2 GLN A 45 8.382 -3.470 0.660 1.00 0.00 H new ATOM 0 HG3 GLN A 45 6.856 -4.290 0.398 1.00 0.00 H new ATOM 0 HE21 GLN A 45 6.658 -6.468 0.635 1.00 0.00 H new ATOM 0 HE22 GLN A 45 7.913 -7.499 1.332 1.00 0.00 H new ATOM 648 N LYS A 46 8.563 -2.136 -3.551 1.00 0.00 N ATOM 649 CA LYS A 46 9.075 -1.748 -4.855 1.00 0.00 C ATOM 650 C LYS A 46 9.692 -2.969 -5.540 1.00 0.00 C ATOM 651 O LYS A 46 10.759 -3.435 -5.142 1.00 0.00 O ATOM 652 CB LYS A 46 10.037 -0.566 -4.722 1.00 0.00 C ATOM 653 CG LYS A 46 11.010 -0.514 -5.902 1.00 0.00 C ATOM 654 CD LYS A 46 11.617 0.881 -6.052 1.00 0.00 C ATOM 655 CE LYS A 46 11.908 1.198 -7.520 1.00 0.00 C ATOM 656 NZ LYS A 46 13.365 1.165 -7.778 1.00 0.00 N ATOM 0 H LYS A 46 8.993 -1.652 -2.762 1.00 0.00 H new ATOM 0 HA LYS A 46 8.264 -1.399 -5.495 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.471 0.364 -4.672 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.595 -0.650 -3.790 1.00 0.00 H new ATOM 0 HG2 LYS A 46 11.804 -1.246 -5.755 1.00 0.00 H new ATOM 0 HG3 LYS A 46 10.489 -0.788 -6.819 1.00 0.00 H new ATOM 0 HD2 LYS A 46 10.932 1.625 -5.645 1.00 0.00 H new ATOM 0 HD3 LYS A 46 12.538 0.945 -5.473 1.00 0.00 H new ATOM 0 HE2 LYS A 46 11.403 0.476 -8.161 1.00 0.00 H new ATOM 0 HE3 LYS A 46 11.510 2.181 -7.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 13.545 1.382 -8.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 13.840 1.871 -7.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 13.735 0.219 -7.557 1.00 0.00 H new ATOM 670 N GLY A 47 8.996 -3.452 -6.559 1.00 0.00 N ATOM 671 CA GLY A 47 9.463 -4.609 -7.302 1.00 0.00 C ATOM 672 C GLY A 47 8.484 -5.778 -7.166 1.00 0.00 C ATOM 673 O GLY A 47 8.645 -6.805 -7.824 1.00 0.00 O ATOM 0 H GLY A 47 8.112 -3.063 -6.887 1.00 0.00 H new ATOM 0 HA2 GLY A 47 9.580 -4.348 -8.354 1.00 0.00 H new ATOM 0 HA3 GLY A 47 10.446 -4.908 -6.937 1.00 0.00 H new ATOM 677 N ASP A 48 7.493 -5.582 -6.309 1.00 0.00 N ATOM 678 CA ASP A 48 6.490 -6.608 -6.079 1.00 0.00 C ATOM 679 C ASP A 48 5.521 -6.643 -7.263 1.00 0.00 C ATOM 680 O ASP A 48 5.177 -5.601 -7.818 1.00 0.00 O ATOM 681 CB ASP A 48 5.681 -6.313 -4.815 1.00 0.00 C ATOM 682 CG ASP A 48 5.284 -7.545 -3.999 1.00 0.00 C ATOM 683 OD1 ASP A 48 4.274 -8.177 -4.379 1.00 0.00 O ATOM 684 OD2 ASP A 48 5.999 -7.828 -3.013 1.00 0.00 O ATOM 0 H ASP A 48 7.363 -4.729 -5.766 1.00 0.00 H new ATOM 0 HA ASP A 48 7.004 -7.562 -5.964 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.261 -5.645 -4.178 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.776 -5.776 -5.098 1.00 0.00 H new ATOM 689 N GLN A 49 5.110 -7.853 -7.615 1.00 0.00 N ATOM 690 CA GLN A 49 4.188 -8.037 -8.722 1.00 0.00 C ATOM 691 C GLN A 49 2.798 -8.402 -8.201 1.00 0.00 C ATOM 692 O GLN A 49 2.668 -9.215 -7.286 1.00 0.00 O ATOM 693 CB GLN A 49 4.706 -9.097 -9.696 1.00 0.00 C ATOM 694 CG GLN A 49 6.049 -8.682 -10.298 1.00 0.00 C ATOM 695 CD GLN A 49 5.942 -8.509 -11.814 1.00 0.00 C ATOM 696 OE1 GLN A 49 6.461 -9.292 -12.592 1.00 0.00 O ATOM 697 NE2 GLN A 49 5.241 -7.443 -12.188 1.00 0.00 N ATOM 0 H GLN A 49 5.399 -8.715 -7.153 1.00 0.00 H new ATOM 0 HA GLN A 49 4.113 -7.096 -9.267 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.815 -10.049 -9.177 1.00 0.00 H new ATOM 0 HB3 GLN A 49 3.978 -9.250 -10.493 1.00 0.00 H new ATOM 0 HG2 GLN A 49 6.381 -7.748 -9.845 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.803 -9.435 -10.067 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.833 -6.828 -11.484 1.00 0.00 H new ATOM 0 HE22 GLN A 49 5.111 -7.240 -13.179 1.00 0.00 H new ATOM 706 N MET A 50 1.793 -7.785 -8.804 1.00 0.00 N ATOM 707 CA MET A 50 0.416 -8.036 -8.411 1.00 0.00 C ATOM 708 C MET A 50 -0.457 -8.332 -9.632 1.00 0.00 C ATOM 709 O MET A 50 -0.222 -7.794 -10.713 1.00 0.00 O ATOM 710 CB MET A 50 -0.136 -6.814 -7.673 1.00 0.00 C ATOM 711 CG MET A 50 0.780 -6.415 -6.513 1.00 0.00 C ATOM 712 SD MET A 50 0.414 -4.747 -5.992 1.00 0.00 S ATOM 713 CE MET A 50 1.931 -3.934 -6.467 1.00 0.00 C ATOM 0 H MET A 50 1.904 -7.112 -9.562 1.00 0.00 H new ATOM 0 HA MET A 50 0.398 -8.906 -7.755 1.00 0.00 H new ATOM 0 HB2 MET A 50 -0.235 -5.979 -8.367 1.00 0.00 H new ATOM 0 HB3 MET A 50 -1.134 -7.033 -7.294 1.00 0.00 H new ATOM 0 HG2 MET A 50 0.645 -7.103 -5.679 1.00 0.00 H new ATOM 0 HG3 MET A 50 1.823 -6.488 -6.821 1.00 0.00 H new ATOM 0 HE1 MET A 50 1.887 -2.884 -6.179 1.00 0.00 H new ATOM 0 HE2 MET A 50 2.773 -4.412 -5.966 1.00 0.00 H new ATOM 0 HE3 MET A 50 2.061 -4.009 -7.547 1.00 0.00 H new ATOM 723 N VAL A 51 -1.446 -9.187 -9.419 1.00 0.00 N ATOM 724 CA VAL A 51 -2.356 -9.561 -10.488 1.00 0.00 C ATOM 725 C VAL A 51 -3.572 -8.634 -10.465 1.00 0.00 C ATOM 726 O VAL A 51 -4.529 -8.877 -9.731 1.00 0.00 O ATOM 727 CB VAL A 51 -2.729 -11.039 -10.364 1.00 0.00 C ATOM 728 CG1 VAL A 51 -3.958 -11.367 -11.215 1.00 0.00 C ATOM 729 CG2 VAL A 51 -1.547 -11.936 -10.740 1.00 0.00 C ATOM 0 H VAL A 51 -1.637 -9.632 -8.521 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.875 -9.441 -11.459 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.981 -11.235 -9.322 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.202 -12.424 -11.109 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.803 -10.764 -10.882 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.745 -11.147 -12.261 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.839 -12.982 -10.643 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.251 -11.735 -11.770 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.708 -11.730 -10.075 1.00 0.00 H new ATOM 739 N VAL A 52 -3.497 -7.590 -11.277 1.00 0.00 N ATOM 740 CA VAL A 52 -4.580 -6.625 -11.359 1.00 0.00 C ATOM 741 C VAL A 52 -5.852 -7.331 -11.833 1.00 0.00 C ATOM 742 O VAL A 52 -5.926 -7.787 -12.973 1.00 0.00 O ATOM 743 CB VAL A 52 -4.174 -5.457 -12.261 1.00 0.00 C ATOM 744 CG1 VAL A 52 -5.406 -4.765 -12.850 1.00 0.00 C ATOM 745 CG2 VAL A 52 -3.293 -4.461 -11.505 1.00 0.00 C ATOM 0 H VAL A 52 -2.702 -7.391 -11.885 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.789 -6.202 -10.376 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.589 -5.859 -13.088 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.090 -3.939 -13.487 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.977 -5.481 -13.441 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.029 -4.382 -12.042 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.019 -3.641 -12.169 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.841 -4.067 -10.649 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.391 -4.964 -11.158 1.00 0.00 H new ATOM 755 N LEU A 53 -6.822 -7.401 -10.933 1.00 0.00 N ATOM 756 CA LEU A 53 -8.087 -8.044 -11.244 1.00 0.00 C ATOM 757 C LEU A 53 -9.085 -6.990 -11.726 1.00 0.00 C ATOM 758 O LEU A 53 -9.652 -7.117 -12.811 1.00 0.00 O ATOM 759 CB LEU A 53 -8.582 -8.859 -10.048 1.00 0.00 C ATOM 760 CG LEU A 53 -7.515 -9.640 -9.280 1.00 0.00 C ATOM 761 CD1 LEU A 53 -8.029 -10.063 -7.902 1.00 0.00 C ATOM 762 CD2 LEU A 53 -7.016 -10.834 -10.096 1.00 0.00 C ATOM 0 H LEU A 53 -6.757 -7.023 -9.988 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.961 -8.759 -12.057 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.079 -8.182 -9.353 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.336 -9.563 -10.401 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.662 -8.981 -9.117 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -7.250 -10.617 -7.377 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.296 -9.177 -7.325 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.908 -10.697 -8.020 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.258 -11.372 -9.527 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -7.850 -11.502 -10.311 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.584 -10.480 -11.032 1.00 0.00 H new ATOM 774 N GLU A 54 -9.270 -5.974 -10.896 1.00 0.00 N ATOM 775 CA GLU A 54 -10.191 -4.898 -11.224 1.00 0.00 C ATOM 776 C GLU A 54 -9.431 -3.580 -11.388 1.00 0.00 C ATOM 777 O GLU A 54 -8.441 -3.341 -10.697 1.00 0.00 O ATOM 778 CB GLU A 54 -11.286 -4.771 -10.163 1.00 0.00 C ATOM 779 CG GLU A 54 -12.504 -5.621 -10.530 1.00 0.00 C ATOM 780 CD GLU A 54 -13.079 -5.202 -11.884 1.00 0.00 C ATOM 781 OE1 GLU A 54 -13.486 -4.025 -11.988 1.00 0.00 O ATOM 782 OE2 GLU A 54 -13.098 -6.069 -12.785 1.00 0.00 O ATOM 0 H GLU A 54 -8.798 -5.873 -9.997 1.00 0.00 H new ATOM 0 HA GLU A 54 -10.675 -5.136 -12.171 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -10.897 -5.085 -9.194 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.583 -3.727 -10.064 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -12.221 -6.673 -10.561 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -13.268 -5.519 -9.759 1.00 0.00 H new ATOM 822 N GLU A 58 -8.051 4.841 -10.844 1.00 0.00 N ATOM 823 CA GLU A 58 -6.606 4.871 -10.692 1.00 0.00 C ATOM 824 C GLU A 58 -6.125 3.630 -9.937 1.00 0.00 C ATOM 825 O GLU A 58 -5.261 2.901 -10.422 1.00 0.00 O ATOM 826 CB GLU A 58 -6.156 6.152 -9.986 1.00 0.00 C ATOM 827 CG GLU A 58 -6.690 7.392 -10.705 1.00 0.00 C ATOM 828 CD GLU A 58 -6.153 7.469 -12.136 1.00 0.00 C ATOM 829 OE1 GLU A 58 -6.690 6.726 -12.984 1.00 0.00 O ATOM 830 OE2 GLU A 58 -5.218 8.272 -12.348 1.00 0.00 O ATOM 0 HA GLU A 58 -6.155 4.865 -11.685 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.508 6.146 -8.955 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.067 6.189 -9.951 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -7.780 7.366 -10.722 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.401 8.288 -10.156 1.00 0.00 H new ATOM 837 N TRP A 59 -6.707 3.429 -8.763 1.00 0.00 N ATOM 838 CA TRP A 59 -6.348 2.289 -7.937 1.00 0.00 C ATOM 839 C TRP A 59 -6.997 1.043 -8.543 1.00 0.00 C ATOM 840 O TRP A 59 -8.152 1.083 -8.966 1.00 0.00 O ATOM 841 CB TRP A 59 -6.748 2.522 -6.478 1.00 0.00 C ATOM 842 CG TRP A 59 -6.267 3.857 -5.906 1.00 0.00 C ATOM 843 CD1 TRP A 59 -6.763 5.080 -6.137 1.00 0.00 C ATOM 844 CD2 TRP A 59 -5.167 4.055 -4.994 1.00 0.00 C ATOM 845 NE1 TRP A 59 -6.067 6.048 -5.442 1.00 0.00 N ATOM 846 CE2 TRP A 59 -5.065 5.405 -4.725 1.00 0.00 C ATOM 847 CE3 TRP A 59 -4.287 3.125 -4.415 1.00 0.00 C ATOM 848 CZ2 TRP A 59 -4.096 5.946 -3.871 1.00 0.00 C ATOM 849 CZ3 TRP A 59 -3.324 3.680 -3.564 1.00 0.00 C ATOM 850 CH2 TRP A 59 -3.208 5.037 -3.283 1.00 0.00 C ATOM 0 H TRP A 59 -7.424 4.036 -8.365 1.00 0.00 H new ATOM 0 HA TRP A 59 -5.267 2.147 -7.924 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -7.834 2.474 -6.398 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.348 1.712 -5.868 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -7.602 5.283 -6.786 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -6.254 7.051 -5.453 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -4.349 2.065 -4.611 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -4.037 7.007 -3.676 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -2.622 3.008 -3.093 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -2.436 5.388 -2.614 1.00 0.00 H new ATOM 861 N TRP A 60 -6.226 -0.034 -8.567 1.00 0.00 N ATOM 862 CA TRP A 60 -6.711 -1.290 -9.114 1.00 0.00 C ATOM 863 C TRP A 60 -6.642 -2.346 -8.009 1.00 0.00 C ATOM 864 O TRP A 60 -5.815 -2.249 -7.105 1.00 0.00 O ATOM 865 CB TRP A 60 -5.925 -1.682 -10.366 1.00 0.00 C ATOM 866 CG TRP A 60 -5.705 -0.531 -11.350 1.00 0.00 C ATOM 867 CD1 TRP A 60 -6.494 0.530 -11.567 1.00 0.00 C ATOM 868 CD2 TRP A 60 -4.585 -0.367 -12.246 1.00 0.00 C ATOM 869 NE1 TRP A 60 -5.967 1.363 -12.534 1.00 0.00 N ATOM 870 CE2 TRP A 60 -4.769 0.799 -12.959 1.00 0.00 C ATOM 871 CE3 TRP A 60 -3.455 -1.178 -12.445 1.00 0.00 C ATOM 872 CZ2 TRP A 60 -3.863 1.260 -13.921 1.00 0.00 C ATOM 873 CZ3 TRP A 60 -2.558 -0.704 -13.411 1.00 0.00 C ATOM 874 CH2 TRP A 60 -2.729 0.469 -14.138 1.00 0.00 C ATOM 0 H TRP A 60 -5.269 -0.063 -8.216 1.00 0.00 H new ATOM 0 HA TRP A 60 -7.747 -1.195 -9.439 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -4.956 -2.078 -10.064 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -6.454 -2.487 -10.877 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -7.425 0.711 -11.051 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -6.380 2.232 -12.874 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -3.291 -2.094 -11.897 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -4.030 2.177 -14.467 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -1.672 -1.290 -13.605 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -1.990 0.768 -14.867 1.00 0.00 H new ATOM 885 N LYS A 61 -7.523 -3.330 -8.119 1.00 0.00 N ATOM 886 CA LYS A 61 -7.572 -4.403 -7.141 1.00 0.00 C ATOM 887 C LYS A 61 -6.754 -5.591 -7.651 1.00 0.00 C ATOM 888 O LYS A 61 -7.251 -6.400 -8.434 1.00 0.00 O ATOM 889 CB LYS A 61 -9.022 -4.754 -6.803 1.00 0.00 C ATOM 890 CG LYS A 61 -9.089 -5.940 -5.839 1.00 0.00 C ATOM 891 CD LYS A 61 -10.132 -6.962 -6.297 1.00 0.00 C ATOM 892 CE LYS A 61 -10.922 -7.510 -5.108 1.00 0.00 C ATOM 893 NZ LYS A 61 -12.311 -7.827 -5.509 1.00 0.00 N ATOM 0 H LYS A 61 -8.208 -3.406 -8.871 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.119 -4.084 -6.203 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -9.514 -3.890 -6.357 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.565 -4.993 -7.718 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.111 -6.417 -5.775 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -9.337 -5.586 -4.838 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -10.815 -6.497 -7.008 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.638 -7.782 -6.819 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -10.435 -8.406 -4.723 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.929 -6.778 -4.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -12.833 -8.198 -4.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -12.778 -6.965 -5.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -12.300 -8.542 -6.264 1.00 0.00 H new ATOM 907 N ALA A 62 -5.514 -5.658 -7.189 1.00 0.00 N ATOM 908 CA ALA A 62 -4.623 -6.734 -7.589 1.00 0.00 C ATOM 909 C ALA A 62 -4.229 -7.549 -6.355 1.00 0.00 C ATOM 910 O ALA A 62 -4.332 -7.066 -5.229 1.00 0.00 O ATOM 911 CB ALA A 62 -3.409 -6.147 -8.312 1.00 0.00 C ATOM 0 H ALA A 62 -5.105 -4.984 -6.541 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.122 -7.409 -8.284 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -2.740 -6.953 -8.613 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.740 -5.602 -9.196 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.881 -5.467 -7.643 1.00 0.00 H new ATOM 917 N ARG A 63 -3.786 -8.771 -6.610 1.00 0.00 N ATOM 918 CA ARG A 63 -3.377 -9.658 -5.534 1.00 0.00 C ATOM 919 C ARG A 63 -1.854 -9.806 -5.520 1.00 0.00 C ATOM 920 O ARG A 63 -1.248 -10.127 -6.541 1.00 0.00 O ATOM 921 CB ARG A 63 -4.016 -11.040 -5.688 1.00 0.00 C ATOM 922 CG ARG A 63 -3.182 -12.110 -4.978 1.00 0.00 C ATOM 923 CD ARG A 63 -2.362 -12.921 -5.984 1.00 0.00 C ATOM 924 NE ARG A 63 -3.264 -13.706 -6.858 1.00 0.00 N ATOM 925 CZ ARG A 63 -2.841 -14.534 -7.822 1.00 0.00 C ATOM 926 NH1 ARG A 63 -1.529 -14.691 -8.043 1.00 0.00 N ATOM 927 NH2 ARG A 63 -3.731 -15.204 -8.566 1.00 0.00 N ATOM 0 H ARG A 63 -3.701 -9.168 -7.546 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.712 -9.218 -4.594 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.025 -11.027 -5.275 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -4.107 -11.287 -6.746 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.515 -11.638 -4.256 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -3.838 -12.776 -4.417 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -1.748 -12.253 -6.588 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.681 -13.589 -5.456 1.00 0.00 H new ATOM 0 HE ARG A 63 -4.270 -13.610 -6.717 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.852 -14.180 -7.477 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.207 -15.322 -8.777 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.730 -15.083 -8.398 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -3.410 -15.835 -9.300 1.00 0.00 H new ATOM 941 N SER A 64 -1.279 -9.565 -4.350 1.00 0.00 N ATOM 942 CA SER A 64 0.161 -9.667 -4.190 1.00 0.00 C ATOM 943 C SER A 64 0.630 -11.077 -4.555 1.00 0.00 C ATOM 944 O SER A 64 -0.017 -12.062 -4.200 1.00 0.00 O ATOM 945 CB SER A 64 0.581 -9.322 -2.760 1.00 0.00 C ATOM 946 OG SER A 64 1.397 -8.155 -2.710 1.00 0.00 O ATOM 0 H SER A 64 -1.785 -9.300 -3.505 1.00 0.00 H new ATOM 0 HA SER A 64 0.632 -8.949 -4.862 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.308 -9.169 -2.148 1.00 0.00 H new ATOM 0 HB3 SER A 64 1.124 -10.163 -2.329 1.00 0.00 H new ATOM 0 HG SER A 64 2.208 -8.300 -3.241 1.00 0.00 H new ATOM 952 N LEU A 65 1.750 -11.130 -5.259 1.00 0.00 N ATOM 953 CA LEU A 65 2.313 -12.403 -5.676 1.00 0.00 C ATOM 954 C LEU A 65 3.332 -12.871 -4.635 1.00 0.00 C ATOM 955 O LEU A 65 4.167 -13.727 -4.920 1.00 0.00 O ATOM 956 CB LEU A 65 2.884 -12.299 -7.092 1.00 0.00 C ATOM 957 CG LEU A 65 1.895 -12.540 -8.234 1.00 0.00 C ATOM 958 CD1 LEU A 65 0.744 -11.535 -8.185 1.00 0.00 C ATOM 959 CD2 LEU A 65 2.607 -12.530 -9.588 1.00 0.00 C ATOM 0 H LEU A 65 2.284 -10.311 -5.552 1.00 0.00 H new ATOM 0 HA LEU A 65 1.535 -13.165 -5.726 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.316 -11.306 -7.216 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.700 -13.016 -7.187 1.00 0.00 H new ATOM 0 HG LEU A 65 1.462 -13.532 -8.105 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.056 -11.729 -9.008 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.214 -11.635 -7.238 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.140 -10.523 -8.274 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.881 -12.704 -10.382 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.087 -11.563 -9.740 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.362 -13.316 -9.608 1.00 0.00 H new ATOM 971 N ALA A 66 3.229 -12.289 -3.450 1.00 0.00 N ATOM 972 CA ALA A 66 4.130 -12.635 -2.365 1.00 0.00 C ATOM 973 C ALA A 66 3.315 -13.134 -1.169 1.00 0.00 C ATOM 974 O ALA A 66 3.739 -14.047 -0.462 1.00 0.00 O ATOM 975 CB ALA A 66 4.999 -11.425 -2.015 1.00 0.00 C ATOM 0 H ALA A 66 2.534 -11.579 -3.217 1.00 0.00 H new ATOM 0 HA ALA A 66 4.800 -13.440 -2.666 1.00 0.00 H new ATOM 0 HB1 ALA A 66 5.675 -11.686 -1.201 1.00 0.00 H new ATOM 0 HB2 ALA A 66 5.580 -11.130 -2.888 1.00 0.00 H new ATOM 0 HB3 ALA A 66 4.362 -10.596 -1.706 1.00 0.00 H new ATOM 981 N THR A 67 2.161 -12.511 -0.980 1.00 0.00 N ATOM 982 CA THR A 67 1.284 -12.879 0.118 1.00 0.00 C ATOM 983 C THR A 67 -0.099 -13.264 -0.411 1.00 0.00 C ATOM 984 O THR A 67 -1.044 -13.414 0.362 1.00 0.00 O ATOM 985 CB THR A 67 1.252 -11.715 1.109 1.00 0.00 C ATOM 986 OG1 THR A 67 1.477 -10.564 0.300 1.00 0.00 O ATOM 987 CG2 THR A 67 2.443 -11.731 2.071 1.00 0.00 C ATOM 0 H THR A 67 1.813 -11.754 -1.569 1.00 0.00 H new ATOM 0 HA THR A 67 1.655 -13.760 0.642 1.00 0.00 H new ATOM 0 HB THR A 67 0.324 -11.750 1.679 1.00 0.00 H new ATOM 0 HG1 THR A 67 1.629 -9.785 0.875 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.371 -10.884 2.753 1.00 0.00 H new ATOM 0 HG22 THR A 67 2.436 -12.659 2.643 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.371 -11.662 1.503 1.00 0.00 H new ATOM 995 N ARG A 68 -0.174 -13.412 -1.726 1.00 0.00 N ATOM 996 CA ARG A 68 -1.426 -13.775 -2.368 1.00 0.00 C ATOM 997 C ARG A 68 -2.582 -12.971 -1.771 1.00 0.00 C ATOM 998 O ARG A 68 -3.729 -13.416 -1.791 1.00 0.00 O ATOM 999 CB ARG A 68 -1.716 -15.269 -2.203 1.00 0.00 C ATOM 1000 CG ARG A 68 -1.942 -15.625 -0.732 1.00 0.00 C ATOM 1001 CD ARG A 68 -2.471 -17.053 -0.588 1.00 0.00 C ATOM 1002 NE ARG A 68 -3.035 -17.250 0.766 1.00 0.00 N ATOM 1003 CZ ARG A 68 -3.229 -18.449 1.331 1.00 0.00 C ATOM 1004 NH1 ARG A 68 -2.909 -19.566 0.661 1.00 0.00 N ATOM 1005 NH2 ARG A 68 -3.745 -18.533 2.565 1.00 0.00 N ATOM 0 H ARG A 68 0.612 -13.287 -2.364 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.331 -13.549 -3.430 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -2.597 -15.538 -2.785 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -0.883 -15.851 -2.598 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -1.007 -15.523 -0.182 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.650 -14.925 -0.289 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -3.236 -17.244 -1.341 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -1.666 -17.767 -0.763 1.00 0.00 H new ATOM 0 HE ARG A 68 -3.292 -16.421 1.302 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -2.518 -19.503 -0.279 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -3.057 -20.479 1.091 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -3.990 -17.684 3.074 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -3.893 -19.446 2.995 1.00 0.00 H new ATOM 1019 N LYS A 69 -2.241 -11.799 -1.255 1.00 0.00 N ATOM 1020 CA LYS A 69 -3.236 -10.927 -0.655 1.00 0.00 C ATOM 1021 C LYS A 69 -4.107 -10.320 -1.756 1.00 0.00 C ATOM 1022 O LYS A 69 -3.863 -10.544 -2.940 1.00 0.00 O ATOM 1023 CB LYS A 69 -2.565 -9.886 0.243 1.00 0.00 C ATOM 1024 CG LYS A 69 -2.292 -10.457 1.636 1.00 0.00 C ATOM 1025 CD LYS A 69 -1.320 -9.566 2.413 1.00 0.00 C ATOM 1026 CE LYS A 69 -1.399 -9.848 3.915 1.00 0.00 C ATOM 1027 NZ LYS A 69 -0.259 -9.221 4.620 1.00 0.00 N ATOM 0 H LYS A 69 -1.289 -11.433 -1.240 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.898 -11.497 -0.003 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.629 -9.559 -0.210 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.203 -9.006 0.325 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.229 -10.546 2.186 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.878 -11.461 1.547 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -0.303 -9.737 2.060 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -1.551 -8.518 2.223 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.337 -9.463 4.314 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.395 -10.924 4.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -0.328 -9.422 5.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.633 -9.607 4.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -0.280 -8.192 4.468 1.00 0.00 H new ATOM 1041 N GLU A 70 -5.107 -9.563 -1.326 1.00 0.00 N ATOM 1042 CA GLU A 70 -6.016 -8.922 -2.261 1.00 0.00 C ATOM 1043 C GLU A 70 -6.467 -7.566 -1.716 1.00 0.00 C ATOM 1044 O GLU A 70 -6.991 -7.481 -0.607 1.00 0.00 O ATOM 1045 CB GLU A 70 -7.218 -9.821 -2.560 1.00 0.00 C ATOM 1046 CG GLU A 70 -6.881 -10.842 -3.648 1.00 0.00 C ATOM 1047 CD GLU A 70 -7.875 -12.005 -3.635 1.00 0.00 C ATOM 1048 OE1 GLU A 70 -7.712 -12.880 -2.756 1.00 0.00 O ATOM 1049 OE2 GLU A 70 -8.774 -11.994 -4.502 1.00 0.00 O ATOM 0 H GLU A 70 -5.307 -9.380 -0.343 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.486 -8.757 -3.199 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.524 -10.340 -1.651 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.063 -9.211 -2.878 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.896 -10.357 -4.624 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -5.870 -11.221 -3.496 1.00 0.00 H new ATOM 1056 N GLY A 71 -6.249 -6.538 -2.523 1.00 0.00 N ATOM 1057 CA GLY A 71 -6.626 -5.189 -2.136 1.00 0.00 C ATOM 1058 C GLY A 71 -6.266 -4.182 -3.230 1.00 0.00 C ATOM 1059 O GLY A 71 -5.442 -4.472 -4.097 1.00 0.00 O ATOM 0 H GLY A 71 -5.816 -6.612 -3.444 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.697 -5.150 -1.939 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -6.121 -4.919 -1.208 1.00 0.00 H new ATOM 1063 N TYR A 72 -6.899 -3.021 -3.155 1.00 0.00 N ATOM 1064 CA TYR A 72 -6.655 -1.971 -4.128 1.00 0.00 C ATOM 1065 C TYR A 72 -5.230 -1.429 -4.005 1.00 0.00 C ATOM 1066 O TYR A 72 -4.709 -1.287 -2.899 1.00 0.00 O ATOM 1067 CB TYR A 72 -7.644 -0.851 -3.796 1.00 0.00 C ATOM 1068 CG TYR A 72 -9.103 -1.203 -4.092 1.00 0.00 C ATOM 1069 CD1 TYR A 72 -9.441 -1.800 -5.289 1.00 0.00 C ATOM 1070 CD2 TYR A 72 -10.082 -0.922 -3.160 1.00 0.00 C ATOM 1071 CE1 TYR A 72 -10.814 -2.130 -5.567 1.00 0.00 C ATOM 1072 CE2 TYR A 72 -11.456 -1.252 -3.438 1.00 0.00 C ATOM 1073 CZ TYR A 72 -11.755 -1.840 -4.628 1.00 0.00 C ATOM 1074 OH TYR A 72 -13.052 -2.153 -4.890 1.00 0.00 O ATOM 0 H TYR A 72 -7.581 -2.784 -2.435 1.00 0.00 H new ATOM 0 HA TYR A 72 -6.778 -2.352 -5.142 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -7.549 -0.597 -2.740 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -7.373 0.039 -4.364 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -8.675 -2.020 -6.018 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -9.818 -0.455 -2.223 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -11.091 -2.597 -6.500 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -12.232 -1.038 -2.718 1.00 0.00 H new ATOM 0 HH TYR A 72 -13.612 -1.890 -4.130 1.00 0.00 H new ATOM 1084 N ILE A 73 -4.638 -1.142 -5.155 1.00 0.00 N ATOM 1085 CA ILE A 73 -3.283 -0.620 -5.190 1.00 0.00 C ATOM 1086 C ILE A 73 -3.221 0.562 -6.160 1.00 0.00 C ATOM 1087 O ILE A 73 -4.002 0.634 -7.108 1.00 0.00 O ATOM 1088 CB ILE A 73 -2.287 -1.734 -5.515 1.00 0.00 C ATOM 1089 CG1 ILE A 73 -2.694 -2.481 -6.787 1.00 0.00 C ATOM 1090 CG2 ILE A 73 -2.116 -2.681 -4.324 1.00 0.00 C ATOM 1091 CD1 ILE A 73 -1.547 -2.508 -7.799 1.00 0.00 C ATOM 0 H ILE A 73 -5.073 -1.261 -6.070 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.995 -0.243 -4.208 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.316 -1.278 -5.707 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.986 -3.501 -6.536 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.565 -2.000 -7.232 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.403 -3.464 -4.581 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.747 -2.122 -3.465 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.077 -3.132 -4.077 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.863 -3.045 -8.693 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.273 -1.487 -8.066 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.686 -3.011 -7.359 1.00 0.00 H new ATOM 1103 N PRO A 74 -2.260 1.483 -5.883 1.00 0.00 N ATOM 1104 CA PRO A 74 -2.086 2.658 -6.720 1.00 0.00 C ATOM 1105 C PRO A 74 -1.405 2.294 -8.040 1.00 0.00 C ATOM 1106 O PRO A 74 -0.399 1.587 -8.050 1.00 0.00 O ATOM 1107 CB PRO A 74 -1.270 3.625 -5.878 1.00 0.00 C ATOM 1108 CG PRO A 74 -0.623 2.784 -4.788 1.00 0.00 C ATOM 1109 CD PRO A 74 -1.317 1.432 -4.769 1.00 0.00 C ATOM 0 HA PRO A 74 -3.034 3.109 -7.013 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -0.516 4.129 -6.482 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -1.904 4.400 -5.449 1.00 0.00 H new ATOM 0 HG2 PRO A 74 0.443 2.663 -4.981 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -0.718 3.275 -3.820 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -0.602 0.618 -4.892 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -1.831 1.264 -3.823 1.00 0.00 H new ATOM 1117 N SER A 75 -1.980 2.795 -9.124 1.00 0.00 N ATOM 1118 CA SER A 75 -1.442 2.532 -10.448 1.00 0.00 C ATOM 1119 C SER A 75 -0.220 3.417 -10.700 1.00 0.00 C ATOM 1120 O SER A 75 0.650 3.068 -11.496 1.00 0.00 O ATOM 1121 CB SER A 75 -2.498 2.765 -11.529 1.00 0.00 C ATOM 1122 OG SER A 75 -1.913 3.100 -12.784 1.00 0.00 O ATOM 0 H SER A 75 -2.814 3.382 -9.112 1.00 0.00 H new ATOM 0 HA SER A 75 -1.141 1.485 -10.493 1.00 0.00 H new ATOM 0 HB2 SER A 75 -3.106 1.867 -11.641 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.167 3.566 -11.215 1.00 0.00 H new ATOM 0 HG SER A 75 -2.166 2.429 -13.452 1.00 0.00 H new ATOM 1128 N ASN A 76 -0.193 4.546 -10.008 1.00 0.00 N ATOM 1129 CA ASN A 76 0.908 5.484 -10.148 1.00 0.00 C ATOM 1130 C ASN A 76 2.128 4.947 -9.398 1.00 0.00 C ATOM 1131 O ASN A 76 3.190 5.568 -9.406 1.00 0.00 O ATOM 1132 CB ASN A 76 0.549 6.847 -9.551 1.00 0.00 C ATOM 1133 CG ASN A 76 0.637 6.818 -8.025 1.00 0.00 C ATOM 1134 OD1 ASN A 76 0.577 5.776 -7.393 1.00 0.00 O ATOM 1135 ND2 ASN A 76 0.781 8.017 -7.468 1.00 0.00 N ATOM 0 H ASN A 76 -0.916 4.833 -9.348 1.00 0.00 H new ATOM 0 HA ASN A 76 1.120 5.600 -11.211 1.00 0.00 H new ATOM 0 HB2 ASN A 76 1.223 7.609 -9.943 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -0.460 7.127 -9.855 1.00 0.00 H new ATOM 0 HD21 ASN A 76 0.848 8.103 -6.454 1.00 0.00 H new ATOM 0 HD22 ASN A 76 0.824 8.850 -8.055 1.00 0.00 H new ATOM 1142 N TYR A 77 1.937 3.797 -8.768 1.00 0.00 N ATOM 1143 CA TYR A 77 3.008 3.169 -8.015 1.00 0.00 C ATOM 1144 C TYR A 77 3.373 1.807 -8.611 1.00 0.00 C ATOM 1145 O TYR A 77 4.186 1.077 -8.048 1.00 0.00 O ATOM 1146 CB TYR A 77 2.466 2.963 -6.599 1.00 0.00 C ATOM 1147 CG TYR A 77 3.084 3.894 -5.554 1.00 0.00 C ATOM 1148 CD1 TYR A 77 3.068 5.259 -5.751 1.00 0.00 C ATOM 1149 CD2 TYR A 77 3.657 3.368 -4.414 1.00 0.00 C ATOM 1150 CE1 TYR A 77 3.649 6.135 -4.768 1.00 0.00 C ATOM 1151 CE2 TYR A 77 4.239 4.243 -3.430 1.00 0.00 C ATOM 1152 CZ TYR A 77 4.206 5.584 -3.656 1.00 0.00 C ATOM 1153 OH TYR A 77 4.755 6.411 -2.726 1.00 0.00 O ATOM 0 H TYR A 77 1.055 3.284 -8.764 1.00 0.00 H new ATOM 0 HA TYR A 77 3.904 3.790 -8.033 1.00 0.00 H new ATOM 0 HB2 TYR A 77 1.386 3.111 -6.609 1.00 0.00 H new ATOM 0 HB3 TYR A 77 2.643 1.930 -6.300 1.00 0.00 H new ATOM 0 HD1 TYR A 77 2.619 5.671 -6.643 1.00 0.00 H new ATOM 0 HD2 TYR A 77 3.669 2.299 -4.260 1.00 0.00 H new ATOM 0 HE1 TYR A 77 3.643 7.206 -4.910 1.00 0.00 H new ATOM 0 HE2 TYR A 77 4.691 3.844 -2.534 1.00 0.00 H new ATOM 0 HH TYR A 77 4.522 7.340 -2.936 1.00 0.00 H new ATOM 1163 N VAL A 78 2.754 1.508 -9.743 1.00 0.00 N ATOM 1164 CA VAL A 78 3.003 0.248 -10.422 1.00 0.00 C ATOM 1165 C VAL A 78 3.301 0.520 -11.899 1.00 0.00 C ATOM 1166 O VAL A 78 3.095 1.631 -12.383 1.00 0.00 O ATOM 1167 CB VAL A 78 1.820 -0.700 -10.215 1.00 0.00 C ATOM 1168 CG1 VAL A 78 1.448 -0.798 -8.735 1.00 0.00 C ATOM 1169 CG2 VAL A 78 0.617 -0.267 -11.057 1.00 0.00 C ATOM 0 H VAL A 78 2.080 2.117 -10.207 1.00 0.00 H new ATOM 0 HA VAL A 78 3.877 -0.248 -10.000 1.00 0.00 H new ATOM 0 HB VAL A 78 2.123 -1.692 -10.549 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.604 -1.478 -8.616 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.300 -1.175 -8.170 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.174 0.189 -8.363 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.210 -0.957 -10.892 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.313 0.739 -10.768 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.890 -0.274 -12.112 1.00 0.00 H new ATOM 1179 N ALA A 79 3.781 -0.515 -12.572 1.00 0.00 N ATOM 1180 CA ALA A 79 4.110 -0.403 -13.983 1.00 0.00 C ATOM 1181 C ALA A 79 4.025 -1.785 -14.634 1.00 0.00 C ATOM 1182 O ALA A 79 4.856 -2.653 -14.367 1.00 0.00 O ATOM 1183 CB ALA A 79 5.494 0.230 -14.136 1.00 0.00 C ATOM 0 H ALA A 79 3.950 -1.435 -12.166 1.00 0.00 H new ATOM 0 HA ALA A 79 3.397 0.245 -14.493 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.741 0.314 -15.194 1.00 0.00 H new ATOM 0 HB2 ALA A 79 5.492 1.222 -13.684 1.00 0.00 H new ATOM 0 HB3 ALA A 79 6.237 -0.394 -13.639 1.00 0.00 H new ATOM 1189 N ARG A 80 3.014 -1.947 -15.475 1.00 0.00 N ATOM 1190 CA ARG A 80 2.809 -3.208 -16.166 1.00 0.00 C ATOM 1191 C ARG A 80 4.155 -3.827 -16.549 1.00 0.00 C ATOM 1192 O ARG A 80 5.061 -3.125 -16.998 1.00 0.00 O ATOM 1193 CB ARG A 80 1.967 -3.015 -17.428 1.00 0.00 C ATOM 1194 CG ARG A 80 0.495 -3.335 -17.158 1.00 0.00 C ATOM 1195 CD ARG A 80 -0.147 -4.022 -18.365 1.00 0.00 C ATOM 1196 NE ARG A 80 -1.238 -3.181 -18.905 1.00 0.00 N ATOM 1197 CZ ARG A 80 -2.017 -3.533 -19.937 1.00 0.00 C ATOM 1198 NH1 ARG A 80 -1.830 -4.711 -20.547 1.00 0.00 N ATOM 1199 NH2 ARG A 80 -2.984 -2.705 -20.360 1.00 0.00 N ATOM 0 H ARG A 80 2.328 -1.225 -15.693 1.00 0.00 H new ATOM 0 HA ARG A 80 2.277 -3.875 -15.488 1.00 0.00 H new ATOM 0 HB2 ARG A 80 2.061 -1.987 -17.779 1.00 0.00 H new ATOM 0 HB3 ARG A 80 2.343 -3.659 -18.223 1.00 0.00 H new ATOM 0 HG2 ARG A 80 0.414 -3.979 -16.283 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -0.044 -2.416 -16.929 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.604 -4.197 -19.136 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -0.538 -4.997 -18.073 1.00 0.00 H new ATOM 0 HE ARG A 80 -1.408 -2.277 -18.464 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -1.094 -5.340 -20.226 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -2.423 -4.978 -21.332 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -3.126 -1.808 -19.896 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -3.577 -2.973 -21.146 1.00 0.00 H new ATOM 1213 N VAL A 81 4.244 -5.136 -16.359 1.00 0.00 N ATOM 1214 CA VAL A 81 5.464 -5.857 -16.679 1.00 0.00 C ATOM 1215 C VAL A 81 5.785 -5.674 -18.164 1.00 0.00 C ATOM 1216 O VAL A 81 6.952 -5.649 -18.553 1.00 0.00 O ATOM 1217 CB VAL A 81 5.326 -7.326 -16.274 1.00 0.00 C ATOM 1218 CG1 VAL A 81 4.999 -8.200 -17.486 1.00 0.00 C ATOM 1219 CG2 VAL A 81 6.588 -7.820 -15.565 1.00 0.00 C ATOM 0 H VAL A 81 3.491 -5.715 -15.988 1.00 0.00 H new ATOM 0 HA VAL A 81 6.304 -5.455 -16.113 1.00 0.00 H new ATOM 0 HB VAL A 81 4.496 -7.404 -15.572 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.906 -9.239 -17.171 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.060 -7.870 -17.930 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.798 -8.114 -18.223 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.463 -8.867 -15.288 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.443 -7.721 -16.233 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.758 -7.225 -14.668 1.00 0.00 H new ATOM 1229 N ASP A 82 4.728 -5.550 -18.954 1.00 0.00 N ATOM 1230 CA ASP A 82 4.882 -5.371 -20.387 1.00 0.00 C ATOM 1231 C ASP A 82 5.039 -3.881 -20.696 1.00 0.00 C ATOM 1232 O ASP A 82 4.976 -3.473 -21.855 1.00 0.00 O ATOM 1233 CB ASP A 82 3.654 -5.884 -21.142 1.00 0.00 C ATOM 1234 CG ASP A 82 3.957 -6.595 -22.462 1.00 0.00 C ATOM 1235 OD1 ASP A 82 4.430 -5.899 -23.387 1.00 0.00 O ATOM 1236 OD2 ASP A 82 3.709 -7.819 -22.518 1.00 0.00 O ATOM 0 H ASP A 82 3.762 -5.570 -18.628 1.00 0.00 H new ATOM 0 HA ASP A 82 5.760 -5.933 -20.704 1.00 0.00 H new ATOM 0 HB2 ASP A 82 3.108 -6.570 -20.494 1.00 0.00 H new ATOM 0 HB3 ASP A 82 2.992 -5.042 -21.344 1.00 0.00 H new ATOM 1241 N SER A 83 5.240 -3.108 -19.640 1.00 0.00 N ATOM 1242 CA SER A 83 5.406 -1.671 -19.783 1.00 0.00 C ATOM 1243 C SER A 83 6.792 -1.253 -19.290 1.00 0.00 C ATOM 1244 O SER A 83 6.972 -0.137 -18.806 1.00 0.00 O ATOM 1245 CB SER A 83 4.319 -0.912 -19.019 1.00 0.00 C ATOM 1246 OG SER A 83 4.274 0.465 -19.381 1.00 0.00 O ATOM 0 H SER A 83 5.292 -3.449 -18.680 1.00 0.00 H new ATOM 0 HA SER A 83 5.312 -1.419 -20.839 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.350 -1.370 -19.216 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.501 -0.999 -17.948 1.00 0.00 H new ATOM 0 HG SER A 83 5.165 0.860 -19.275 1.00 0.00 H new ATOM 1378 N PRO B 124 -6.523 11.097 -5.258 1.00 0.00 N ATOM 1379 CA PRO B 124 -5.821 11.436 -6.484 1.00 0.00 C ATOM 1380 C PRO B 124 -4.431 10.797 -6.515 1.00 0.00 C ATOM 1381 O PRO B 124 -3.429 11.490 -6.678 1.00 0.00 O ATOM 1382 CB PRO B 124 -5.777 12.955 -6.505 1.00 0.00 C ATOM 1383 CG PRO B 124 -6.039 13.400 -5.076 1.00 0.00 C ATOM 1384 CD PRO B 124 -6.575 12.204 -4.306 1.00 0.00 C ATOM 0 HA PRO B 124 -6.320 11.053 -7.374 1.00 0.00 H new ATOM 0 HB2 PRO B 124 -4.808 13.313 -6.854 1.00 0.00 H new ATOM 0 HB3 PRO B 124 -6.529 13.358 -7.183 1.00 0.00 H new ATOM 0 HG2 PRO B 124 -5.122 13.770 -4.617 1.00 0.00 H new ATOM 0 HG3 PRO B 124 -6.758 14.219 -5.057 1.00 0.00 H new ATOM 0 HD2 PRO B 124 -5.969 11.997 -3.424 1.00 0.00 H new ATOM 0 HD3 PRO B 124 -7.593 12.380 -3.959 1.00 0.00 H new ATOM 1392 N LEU B 125 -4.416 9.482 -6.354 1.00 0.00 N ATOM 1393 CA LEU B 125 -3.166 8.741 -6.363 1.00 0.00 C ATOM 1394 C LEU B 125 -2.296 9.206 -5.192 1.00 0.00 C ATOM 1395 O LEU B 125 -2.408 10.346 -4.745 1.00 0.00 O ATOM 1396 CB LEU B 125 -2.480 8.862 -7.724 1.00 0.00 C ATOM 1397 CG LEU B 125 -3.014 7.946 -8.828 1.00 0.00 C ATOM 1398 CD1 LEU B 125 -2.609 8.460 -10.210 1.00 0.00 C ATOM 1399 CD2 LEU B 125 -2.571 6.499 -8.602 1.00 0.00 C ATOM 0 H LEU B 125 -5.250 8.910 -6.217 1.00 0.00 H new ATOM 0 HA LEU B 125 -3.353 7.677 -6.221 1.00 0.00 H new ATOM 0 HB2 LEU B 125 -2.567 9.895 -8.062 1.00 0.00 H new ATOM 0 HB3 LEU B 125 -1.417 8.658 -7.593 1.00 0.00 H new ATOM 0 HG LEU B 125 -4.103 7.959 -8.786 1.00 0.00 H new ATOM 0 HD11 LEU B 125 -3.001 7.791 -10.976 1.00 0.00 H new ATOM 0 HD12 LEU B 125 -3.015 9.460 -10.359 1.00 0.00 H new ATOM 0 HD13 LEU B 125 -1.522 8.495 -10.281 1.00 0.00 H new ATOM 0 HD21 LEU B 125 -2.964 5.869 -9.400 1.00 0.00 H new ATOM 0 HD22 LEU B 125 -1.482 6.448 -8.602 1.00 0.00 H new ATOM 0 HD23 LEU B 125 -2.951 6.148 -7.643 1.00 0.00 H new ATOM 1411 N PRO B 126 -1.427 8.273 -4.717 1.00 0.00 N ATOM 1412 CA PRO B 126 -0.538 8.576 -3.608 1.00 0.00 C ATOM 1413 C PRO B 126 0.615 9.474 -4.058 1.00 0.00 C ATOM 1414 O PRO B 126 0.850 9.635 -5.255 1.00 0.00 O ATOM 1415 CB PRO B 126 -0.073 7.222 -3.096 1.00 0.00 C ATOM 1416 CG PRO B 126 -0.346 6.236 -4.220 1.00 0.00 C ATOM 1417 CD PRO B 126 -1.267 6.913 -5.222 1.00 0.00 C ATOM 0 HA PRO B 126 -1.031 9.139 -2.815 1.00 0.00 H new ATOM 0 HB2 PRO B 126 0.987 7.243 -2.844 1.00 0.00 H new ATOM 0 HB3 PRO B 126 -0.611 6.941 -2.191 1.00 0.00 H new ATOM 0 HG2 PRO B 126 0.586 5.937 -4.700 1.00 0.00 H new ATOM 0 HG3 PRO B 126 -0.808 5.330 -3.829 1.00 0.00 H new ATOM 0 HD2 PRO B 126 -0.834 6.910 -6.222 1.00 0.00 H new ATOM 0 HD3 PRO B 126 -2.226 6.400 -5.288 1.00 0.00 H new ATOM 1425 N PRO B 127 1.324 10.048 -3.050 1.00 0.00 N ATOM 1426 CA PRO B 127 2.448 10.925 -3.331 1.00 0.00 C ATOM 1427 C PRO B 127 3.671 10.123 -3.779 1.00 0.00 C ATOM 1428 O PRO B 127 4.240 9.363 -2.997 1.00 0.00 O ATOM 1429 CB PRO B 127 2.681 11.691 -2.039 1.00 0.00 C ATOM 1430 CG PRO B 127 1.989 10.890 -0.948 1.00 0.00 C ATOM 1431 CD PRO B 127 1.075 9.879 -1.622 1.00 0.00 C ATOM 0 HA PRO B 127 2.251 11.610 -4.155 1.00 0.00 H new ATOM 0 HB2 PRO B 127 3.746 11.793 -1.832 1.00 0.00 H new ATOM 0 HB3 PRO B 127 2.271 12.699 -2.103 1.00 0.00 H new ATOM 0 HG2 PRO B 127 2.723 10.383 -0.322 1.00 0.00 H new ATOM 0 HG3 PRO B 127 1.415 11.549 -0.296 1.00 0.00 H new ATOM 0 HD2 PRO B 127 1.301 8.863 -1.298 1.00 0.00 H new ATOM 0 HD3 PRO B 127 0.029 10.066 -1.378 1.00 0.00 H new ATOM 1439 N LEU B 128 4.040 10.319 -5.037 1.00 0.00 N ATOM 1440 CA LEU B 128 5.185 9.623 -5.598 1.00 0.00 C ATOM 1441 C LEU B 128 6.436 9.975 -4.792 1.00 0.00 C ATOM 1442 O LEU B 128 6.662 11.140 -4.467 1.00 0.00 O ATOM 1443 CB LEU B 128 5.312 9.922 -7.094 1.00 0.00 C ATOM 1444 CG LEU B 128 4.407 9.108 -8.020 1.00 0.00 C ATOM 1445 CD1 LEU B 128 4.648 9.477 -9.485 1.00 0.00 C ATOM 1446 CD2 LEU B 128 4.576 7.608 -7.772 1.00 0.00 C ATOM 0 H LEU B 128 3.566 10.950 -5.683 1.00 0.00 H new ATOM 0 HA LEU B 128 5.050 8.544 -5.522 1.00 0.00 H new ATOM 0 HB2 LEU B 128 5.102 10.980 -7.252 1.00 0.00 H new ATOM 0 HB3 LEU B 128 6.347 9.754 -7.391 1.00 0.00 H new ATOM 0 HG LEU B 128 3.371 9.358 -7.791 1.00 0.00 H new ATOM 0 HD11 LEU B 128 3.992 8.884 -10.122 1.00 0.00 H new ATOM 0 HD12 LEU B 128 4.437 10.536 -9.633 1.00 0.00 H new ATOM 0 HD13 LEU B 128 5.687 9.274 -9.745 1.00 0.00 H new ATOM 0 HD21 LEU B 128 3.921 7.052 -8.443 1.00 0.00 H new ATOM 0 HD22 LEU B 128 5.612 7.323 -7.957 1.00 0.00 H new ATOM 0 HD23 LEU B 128 4.315 7.378 -6.739 1.00 0.00 H new ATOM 1458 N PRO B 129 7.237 8.920 -4.483 1.00 0.00 N ATOM 1459 CA PRO B 129 8.459 9.106 -3.720 1.00 0.00 C ATOM 1460 C PRO B 129 9.556 9.730 -4.586 1.00 0.00 C ATOM 1461 O PRO B 129 10.462 10.383 -4.071 1.00 0.00 O ATOM 1462 CB PRO B 129 8.820 7.720 -3.212 1.00 0.00 C ATOM 1463 CG PRO B 129 8.053 6.742 -4.086 1.00 0.00 C ATOM 1464 CD PRO B 129 7.000 7.527 -4.851 1.00 0.00 C ATOM 0 HA PRO B 129 8.335 9.800 -2.889 1.00 0.00 H new ATOM 0 HB2 PRO B 129 9.894 7.546 -3.281 1.00 0.00 H new ATOM 0 HB3 PRO B 129 8.545 7.605 -2.163 1.00 0.00 H new ATOM 0 HG2 PRO B 129 8.728 6.236 -4.776 1.00 0.00 H new ATOM 0 HG3 PRO B 129 7.585 5.970 -3.475 1.00 0.00 H new ATOM 0 HD2 PRO B 129 7.099 7.379 -5.926 1.00 0.00 H new ATOM 0 HD3 PRO B 129 5.993 7.211 -4.577 1.00 0.00 H new