USER MOD reduce.3.24.130724 H: found=0, std=0, add=457, rem=0, adj=9 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 119:sc= 0.146 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= -2.54 K(o=-2.5,f=-0.15) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -140:sc= -1.18 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 136:sc= 1.85 USER MOD Single : A 76 ASN : amide:sc= -9.54! C(o=-9.5!,f=-17!) USER MOD Single : A 77 TYR OH : rot 14:sc= 0.309 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 323 N ILE A 26 -3.319 -8.749 -15.454 1.00 0.00 N ATOM 324 CA ILE A 26 -2.528 -7.541 -15.621 1.00 0.00 C ATOM 325 C ILE A 26 -1.467 -7.476 -14.519 1.00 0.00 C ATOM 326 O ILE A 26 -1.760 -7.073 -13.395 1.00 0.00 O ATOM 327 CB ILE A 26 -3.433 -6.310 -15.676 1.00 0.00 C ATOM 328 CG1 ILE A 26 -4.175 -6.234 -17.013 1.00 0.00 C ATOM 329 CG2 ILE A 26 -2.641 -5.033 -15.388 1.00 0.00 C ATOM 330 CD1 ILE A 26 -3.278 -5.650 -18.106 1.00 0.00 C ATOM 0 HA ILE A 26 -1.999 -7.561 -16.574 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.186 -6.405 -14.894 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.508 -7.230 -17.305 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.068 -5.618 -16.903 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.309 -4.173 -15.433 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.198 -5.096 -14.394 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.852 -4.919 -16.131 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.830 -5.607 -19.045 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.966 -4.645 -17.822 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.398 -6.281 -18.230 1.00 0.00 H new ATOM 342 N ILE A 27 -0.258 -7.878 -14.881 1.00 0.00 N ATOM 343 CA ILE A 27 0.847 -7.870 -13.938 1.00 0.00 C ATOM 344 C ILE A 27 1.503 -6.488 -13.941 1.00 0.00 C ATOM 345 O ILE A 27 1.898 -5.986 -14.991 1.00 0.00 O ATOM 346 CB ILE A 27 1.818 -9.013 -14.240 1.00 0.00 C ATOM 347 CG1 ILE A 27 1.063 -10.292 -14.605 1.00 0.00 C ATOM 348 CG2 ILE A 27 2.787 -9.232 -13.077 1.00 0.00 C ATOM 349 CD1 ILE A 27 0.375 -10.892 -13.377 1.00 0.00 C ATOM 0 H ILE A 27 -0.019 -8.212 -15.815 1.00 0.00 H new ATOM 0 HA ILE A 27 0.486 -8.050 -12.926 1.00 0.00 H new ATOM 0 HB ILE A 27 2.415 -8.733 -15.108 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.320 -10.074 -15.372 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.756 -11.019 -15.030 1.00 0.00 H new ATOM 0 HG21 ILE A 27 3.466 -10.050 -13.318 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.362 -8.322 -12.906 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.225 -9.480 -12.177 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.155 -11.800 -13.664 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.123 -11.132 -12.622 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.334 -10.172 -12.969 1.00 0.00 H new ATOM 361 N VAL A 28 1.601 -5.912 -12.751 1.00 0.00 N ATOM 362 CA VAL A 28 2.204 -4.599 -12.602 1.00 0.00 C ATOM 363 C VAL A 28 3.197 -4.626 -11.439 1.00 0.00 C ATOM 364 O VAL A 28 2.858 -5.056 -10.338 1.00 0.00 O ATOM 365 CB VAL A 28 1.113 -3.539 -12.431 1.00 0.00 C ATOM 366 CG1 VAL A 28 0.159 -3.535 -13.628 1.00 0.00 C ATOM 367 CG2 VAL A 28 0.348 -3.746 -11.122 1.00 0.00 C ATOM 0 H VAL A 28 1.273 -6.331 -11.881 1.00 0.00 H new ATOM 0 HA VAL A 28 2.762 -4.332 -13.499 1.00 0.00 H new ATOM 0 HB VAL A 28 1.598 -2.564 -12.386 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.606 -2.773 -13.481 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.718 -3.317 -14.538 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.315 -4.512 -13.719 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.421 -2.980 -11.025 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.119 -4.731 -11.125 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.039 -3.675 -10.282 1.00 0.00 H new ATOM 377 N VAL A 29 4.406 -4.163 -11.724 1.00 0.00 N ATOM 378 CA VAL A 29 5.451 -4.130 -10.716 1.00 0.00 C ATOM 379 C VAL A 29 5.383 -2.800 -9.961 1.00 0.00 C ATOM 380 O VAL A 29 5.197 -1.747 -10.567 1.00 0.00 O ATOM 381 CB VAL A 29 6.814 -4.378 -11.367 1.00 0.00 C ATOM 382 CG1 VAL A 29 7.373 -3.091 -11.975 1.00 0.00 C ATOM 383 CG2 VAL A 29 7.798 -4.984 -10.364 1.00 0.00 C ATOM 0 H VAL A 29 4.684 -3.808 -12.639 1.00 0.00 H new ATOM 0 HA VAL A 29 5.304 -4.927 -9.987 1.00 0.00 H new ATOM 0 HB VAL A 29 6.674 -5.096 -12.175 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.342 -3.295 -12.431 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.686 -2.719 -12.735 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.491 -2.340 -11.193 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.758 -5.150 -10.852 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.930 -4.300 -9.526 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.407 -5.934 -9.999 1.00 0.00 H new ATOM 393 N ALA A 30 5.537 -2.894 -8.649 1.00 0.00 N ATOM 394 CA ALA A 30 5.495 -1.713 -7.804 1.00 0.00 C ATOM 395 C ALA A 30 6.701 -0.825 -8.116 1.00 0.00 C ATOM 396 O ALA A 30 7.844 -1.266 -8.013 1.00 0.00 O ATOM 397 CB ALA A 30 5.448 -2.136 -6.334 1.00 0.00 C ATOM 0 H ALA A 30 5.691 -3.770 -8.150 1.00 0.00 H new ATOM 0 HA ALA A 30 4.595 -1.131 -8.004 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.417 -1.249 -5.701 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.558 -2.740 -6.157 1.00 0.00 H new ATOM 0 HB3 ALA A 30 6.336 -2.721 -6.095 1.00 0.00 H new ATOM 403 N LEU A 31 6.404 0.411 -8.494 1.00 0.00 N ATOM 404 CA LEU A 31 7.449 1.364 -8.822 1.00 0.00 C ATOM 405 C LEU A 31 8.038 1.934 -7.530 1.00 0.00 C ATOM 406 O LEU A 31 9.126 2.508 -7.540 1.00 0.00 O ATOM 407 CB LEU A 31 6.918 2.433 -9.779 1.00 0.00 C ATOM 408 CG LEU A 31 6.563 1.954 -11.188 1.00 0.00 C ATOM 409 CD1 LEU A 31 6.141 3.128 -12.075 1.00 0.00 C ATOM 410 CD2 LEU A 31 7.713 1.155 -11.803 1.00 0.00 C ATOM 0 H LEU A 31 5.454 0.773 -8.580 1.00 0.00 H new ATOM 0 HA LEU A 31 8.262 0.869 -9.353 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.030 2.882 -9.334 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.666 3.222 -9.862 1.00 0.00 H new ATOM 0 HG LEU A 31 5.709 1.281 -11.115 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.894 2.761 -13.071 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.268 3.616 -11.641 1.00 0.00 H new ATOM 0 HD13 LEU A 31 6.960 3.844 -12.145 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.434 0.827 -12.804 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.602 1.783 -11.862 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.924 0.285 -11.182 1.00 0.00 H new ATOM 422 N TYR A 32 7.294 1.754 -6.448 1.00 0.00 N ATOM 423 CA TYR A 32 7.729 2.244 -5.151 1.00 0.00 C ATOM 424 C TYR A 32 7.023 1.496 -4.019 1.00 0.00 C ATOM 425 O TYR A 32 5.867 1.100 -4.157 1.00 0.00 O ATOM 426 CB TYR A 32 7.327 3.719 -5.100 1.00 0.00 C ATOM 427 CG TYR A 32 7.410 4.434 -6.450 1.00 0.00 C ATOM 428 CD1 TYR A 32 8.621 4.914 -6.904 1.00 0.00 C ATOM 429 CD2 TYR A 32 6.273 4.598 -7.215 1.00 0.00 C ATOM 430 CE1 TYR A 32 8.699 5.586 -8.175 1.00 0.00 C ATOM 431 CE2 TYR A 32 6.350 5.271 -8.486 1.00 0.00 C ATOM 432 CZ TYR A 32 7.560 5.732 -8.903 1.00 0.00 C ATOM 433 OH TYR A 32 7.633 6.366 -10.104 1.00 0.00 O ATOM 0 H TYR A 32 6.393 1.276 -6.443 1.00 0.00 H new ATOM 0 HA TYR A 32 8.802 2.099 -5.026 1.00 0.00 H new ATOM 0 HB2 TYR A 32 6.307 3.794 -4.723 1.00 0.00 H new ATOM 0 HB3 TYR A 32 7.969 4.236 -4.387 1.00 0.00 H new ATOM 0 HD1 TYR A 32 9.511 4.786 -6.306 1.00 0.00 H new ATOM 0 HD2 TYR A 32 5.325 4.221 -6.860 1.00 0.00 H new ATOM 0 HE1 TYR A 32 9.641 5.966 -8.542 1.00 0.00 H new ATOM 0 HE2 TYR A 32 5.468 5.407 -9.094 1.00 0.00 H new ATOM 0 HH TYR A 32 6.743 6.396 -10.513 1.00 0.00 H new ATOM 443 N ASP A 33 7.749 1.325 -2.923 1.00 0.00 N ATOM 444 CA ASP A 33 7.206 0.631 -1.767 1.00 0.00 C ATOM 445 C ASP A 33 5.879 1.278 -1.366 1.00 0.00 C ATOM 446 O ASP A 33 5.683 2.476 -1.568 1.00 0.00 O ATOM 447 CB ASP A 33 8.158 0.725 -0.573 1.00 0.00 C ATOM 448 CG ASP A 33 7.493 0.573 0.796 1.00 0.00 C ATOM 449 OD1 ASP A 33 6.937 -0.520 1.041 1.00 0.00 O ATOM 450 OD2 ASP A 33 7.555 1.554 1.569 1.00 0.00 O ATOM 0 H ASP A 33 8.708 1.655 -2.811 1.00 0.00 H new ATOM 0 HA ASP A 33 7.066 -0.416 -2.036 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.923 -0.044 -0.676 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.667 1.688 -0.608 1.00 0.00 H new ATOM 455 N TYR A 34 5.004 0.458 -0.804 1.00 0.00 N ATOM 456 CA TYR A 34 3.700 0.935 -0.374 1.00 0.00 C ATOM 457 C TYR A 34 3.165 0.095 0.788 1.00 0.00 C ATOM 458 O TYR A 34 3.114 -1.131 0.700 1.00 0.00 O ATOM 459 CB TYR A 34 2.771 0.770 -1.577 1.00 0.00 C ATOM 460 CG TYR A 34 1.375 1.359 -1.370 1.00 0.00 C ATOM 461 CD1 TYR A 34 1.155 2.706 -1.577 1.00 0.00 C ATOM 462 CD2 TYR A 34 0.333 0.543 -0.975 1.00 0.00 C ATOM 463 CE1 TYR A 34 -0.160 3.259 -1.383 1.00 0.00 C ATOM 464 CE2 TYR A 34 -0.981 1.097 -0.780 1.00 0.00 C ATOM 465 CZ TYR A 34 -1.163 2.428 -0.994 1.00 0.00 C ATOM 466 OH TYR A 34 -2.405 2.951 -0.810 1.00 0.00 O ATOM 0 H TYR A 34 5.172 -0.534 -0.636 1.00 0.00 H new ATOM 0 HA TYR A 34 3.763 1.969 -0.035 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.229 1.244 -2.445 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.676 -0.291 -1.807 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.969 3.345 -1.885 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.504 -0.511 -0.812 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.346 4.311 -1.543 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.804 0.470 -0.471 1.00 0.00 H new ATOM 0 HH TYR A 34 -3.034 2.526 -1.430 1.00 0.00 H new ATOM 476 N GLU A 35 2.781 0.787 1.850 1.00 0.00 N ATOM 477 CA GLU A 35 2.251 0.120 3.027 1.00 0.00 C ATOM 478 C GLU A 35 0.833 0.611 3.323 1.00 0.00 C ATOM 479 O GLU A 35 0.568 1.146 4.398 1.00 0.00 O ATOM 480 CB GLU A 35 3.166 0.331 4.235 1.00 0.00 C ATOM 481 CG GLU A 35 3.767 -0.995 4.706 1.00 0.00 C ATOM 482 CD GLU A 35 3.965 -0.999 6.224 1.00 0.00 C ATOM 483 OE1 GLU A 35 2.979 -0.684 6.925 1.00 0.00 O ATOM 484 OE2 GLU A 35 5.096 -1.317 6.647 1.00 0.00 O ATOM 0 H GLU A 35 2.826 1.804 1.920 1.00 0.00 H new ATOM 0 HA GLU A 35 2.209 -0.950 2.825 1.00 0.00 H new ATOM 0 HB2 GLU A 35 3.965 1.024 3.973 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.601 0.788 5.048 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.112 -1.818 4.419 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.723 -1.161 4.210 1.00 0.00 H new ATOM 491 N ALA A 36 -0.043 0.410 2.348 1.00 0.00 N ATOM 492 CA ALA A 36 -1.428 0.825 2.490 1.00 0.00 C ATOM 493 C ALA A 36 -1.481 2.174 3.212 1.00 0.00 C ATOM 494 O ALA A 36 -1.619 2.224 4.432 1.00 0.00 O ATOM 495 CB ALA A 36 -2.214 -0.261 3.228 1.00 0.00 C ATOM 0 H ALA A 36 0.180 -0.035 1.457 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.891 0.955 1.512 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.253 0.051 3.334 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.170 -1.191 2.661 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.779 -0.417 4.215 1.00 0.00 H new ATOM 569 N ASP A 41 -6.844 -0.607 0.728 1.00 0.00 N ATOM 570 CA ASP A 41 -5.678 -0.645 -0.137 1.00 0.00 C ATOM 571 C ASP A 41 -4.760 -1.788 0.302 1.00 0.00 C ATOM 572 O ASP A 41 -4.786 -2.200 1.460 1.00 0.00 O ATOM 573 CB ASP A 41 -4.883 0.660 -0.048 1.00 0.00 C ATOM 574 CG ASP A 41 -5.498 1.843 -0.797 1.00 0.00 C ATOM 575 OD1 ASP A 41 -6.385 2.493 -0.203 1.00 0.00 O ATOM 576 OD2 ASP A 41 -5.066 2.072 -1.947 1.00 0.00 O ATOM 0 HA ASP A 41 -6.022 -0.789 -1.161 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.774 0.931 1.002 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.880 0.484 -0.437 1.00 0.00 H new ATOM 581 N LEU A 42 -3.971 -2.269 -0.648 1.00 0.00 N ATOM 582 CA LEU A 42 -3.047 -3.356 -0.374 1.00 0.00 C ATOM 583 C LEU A 42 -1.638 -2.788 -0.193 1.00 0.00 C ATOM 584 O LEU A 42 -1.325 -1.716 -0.707 1.00 0.00 O ATOM 585 CB LEU A 42 -3.144 -4.427 -1.462 1.00 0.00 C ATOM 586 CG LEU A 42 -2.470 -5.765 -1.147 1.00 0.00 C ATOM 587 CD1 LEU A 42 -3.381 -6.650 -0.293 1.00 0.00 C ATOM 588 CD2 LEU A 42 -2.025 -6.470 -2.430 1.00 0.00 C ATOM 0 H LEU A 42 -3.953 -1.926 -1.608 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.311 -3.856 0.558 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.198 -4.613 -1.668 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.706 -4.028 -2.377 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.573 -5.566 -0.561 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.879 -7.594 -0.083 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.606 -6.143 0.645 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.308 -6.844 -0.832 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.549 -7.418 -2.178 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.893 -6.656 -3.063 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.315 -5.839 -2.965 1.00 0.00 H new ATOM 600 N SER A 43 -0.824 -3.534 0.539 1.00 0.00 N ATOM 601 CA SER A 43 0.545 -3.120 0.795 1.00 0.00 C ATOM 602 C SER A 43 1.516 -4.002 0.007 1.00 0.00 C ATOM 603 O SER A 43 1.337 -5.218 -0.062 1.00 0.00 O ATOM 604 CB SER A 43 0.869 -3.177 2.289 1.00 0.00 C ATOM 605 OG SER A 43 0.629 -4.470 2.837 1.00 0.00 O ATOM 0 H SER A 43 -1.087 -4.424 0.963 1.00 0.00 H new ATOM 0 HA SER A 43 0.655 -2.086 0.467 1.00 0.00 H new ATOM 0 HB2 SER A 43 1.913 -2.905 2.444 1.00 0.00 H new ATOM 0 HB3 SER A 43 0.266 -2.440 2.819 1.00 0.00 H new ATOM 0 HG SER A 43 0.849 -4.467 3.792 1.00 0.00 H new ATOM 611 N PHE A 44 2.520 -3.357 -0.566 1.00 0.00 N ATOM 612 CA PHE A 44 3.518 -4.067 -1.347 1.00 0.00 C ATOM 613 C PHE A 44 4.892 -3.406 -1.214 1.00 0.00 C ATOM 614 O PHE A 44 5.074 -2.504 -0.398 1.00 0.00 O ATOM 615 CB PHE A 44 3.073 -4.003 -2.809 1.00 0.00 C ATOM 616 CG PHE A 44 2.597 -2.618 -3.253 1.00 0.00 C ATOM 617 CD1 PHE A 44 3.495 -1.703 -3.707 1.00 0.00 C ATOM 618 CD2 PHE A 44 1.275 -2.303 -3.195 1.00 0.00 C ATOM 619 CE1 PHE A 44 3.053 -0.419 -4.119 1.00 0.00 C ATOM 620 CE2 PHE A 44 0.833 -1.018 -3.607 1.00 0.00 C ATOM 621 CZ PHE A 44 1.731 -0.103 -4.060 1.00 0.00 C ATOM 0 H PHE A 44 2.664 -2.349 -0.505 1.00 0.00 H new ATOM 0 HA PHE A 44 3.604 -5.094 -0.993 1.00 0.00 H new ATOM 0 HB2 PHE A 44 3.903 -4.312 -3.445 1.00 0.00 H new ATOM 0 HB3 PHE A 44 2.267 -4.720 -2.965 1.00 0.00 H new ATOM 0 HD1 PHE A 44 4.544 -1.954 -3.754 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.562 -3.030 -2.836 1.00 0.00 H new ATOM 0 HE1 PHE A 44 3.766 0.308 -4.479 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -0.216 -0.767 -3.561 1.00 0.00 H new ATOM 0 HZ PHE A 44 1.395 0.874 -4.373 1.00 0.00 H new ATOM 631 N GLN A 45 5.823 -3.880 -2.028 1.00 0.00 N ATOM 632 CA GLN A 45 7.173 -3.346 -2.012 1.00 0.00 C ATOM 633 C GLN A 45 7.623 -2.998 -3.432 1.00 0.00 C ATOM 634 O GLN A 45 7.090 -3.531 -4.405 1.00 0.00 O ATOM 635 CB GLN A 45 8.144 -4.330 -1.356 1.00 0.00 C ATOM 636 CG GLN A 45 7.995 -4.313 0.167 1.00 0.00 C ATOM 637 CD GLN A 45 8.656 -5.541 0.796 1.00 0.00 C ATOM 638 OE1 GLN A 45 8.024 -6.548 1.065 1.00 0.00 O ATOM 639 NE2 GLN A 45 9.961 -5.400 1.015 1.00 0.00 N ATOM 0 H GLN A 45 5.669 -4.629 -2.703 1.00 0.00 H new ATOM 0 HA GLN A 45 7.174 -2.433 -1.417 1.00 0.00 H new ATOM 0 HB2 GLN A 45 7.958 -5.336 -1.732 1.00 0.00 H new ATOM 0 HB3 GLN A 45 9.168 -4.073 -1.628 1.00 0.00 H new ATOM 0 HG2 GLN A 45 8.446 -3.406 0.570 1.00 0.00 H new ATOM 0 HG3 GLN A 45 6.938 -4.288 0.432 1.00 0.00 H new ATOM 0 HE21 GLN A 45 10.429 -4.529 0.766 1.00 0.00 H new ATOM 0 HE22 GLN A 45 10.493 -6.163 1.432 1.00 0.00 H new ATOM 648 N LYS A 46 8.600 -2.105 -3.508 1.00 0.00 N ATOM 649 CA LYS A 46 9.128 -1.679 -4.793 1.00 0.00 C ATOM 650 C LYS A 46 9.802 -2.867 -5.482 1.00 0.00 C ATOM 651 O LYS A 46 10.924 -3.234 -5.137 1.00 0.00 O ATOM 652 CB LYS A 46 10.044 -0.467 -4.620 1.00 0.00 C ATOM 653 CG LYS A 46 10.480 0.089 -5.978 1.00 0.00 C ATOM 654 CD LYS A 46 11.913 0.623 -5.917 1.00 0.00 C ATOM 655 CE LYS A 46 12.659 0.339 -7.222 1.00 0.00 C ATOM 656 NZ LYS A 46 13.964 -0.301 -6.945 1.00 0.00 N ATOM 0 H LYS A 46 9.040 -1.665 -2.700 1.00 0.00 H new ATOM 0 HA LYS A 46 8.321 -1.348 -5.446 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.525 0.308 -4.055 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.922 -0.750 -4.040 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.411 -0.693 -6.734 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.803 0.887 -6.283 1.00 0.00 H new ATOM 0 HD2 LYS A 46 11.897 1.697 -5.729 1.00 0.00 H new ATOM 0 HD3 LYS A 46 12.442 0.161 -5.083 1.00 0.00 H new ATOM 0 HE2 LYS A 46 12.057 -0.310 -7.858 1.00 0.00 H new ATOM 0 HE3 LYS A 46 12.812 1.269 -7.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 14.457 -0.487 -7.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 14.543 0.331 -6.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 13.811 -1.198 -6.442 1.00 0.00 H new ATOM 670 N GLY A 47 9.089 -3.435 -6.443 1.00 0.00 N ATOM 671 CA GLY A 47 9.605 -4.574 -7.183 1.00 0.00 C ATOM 672 C GLY A 47 8.665 -5.776 -7.066 1.00 0.00 C ATOM 673 O GLY A 47 8.917 -6.826 -7.655 1.00 0.00 O ATOM 0 H GLY A 47 8.158 -3.128 -6.726 1.00 0.00 H new ATOM 0 HA2 GLY A 47 9.728 -4.305 -8.232 1.00 0.00 H new ATOM 0 HA3 GLY A 47 10.592 -4.841 -6.805 1.00 0.00 H new ATOM 677 N ASP A 48 7.601 -5.581 -6.300 1.00 0.00 N ATOM 678 CA ASP A 48 6.622 -6.636 -6.098 1.00 0.00 C ATOM 679 C ASP A 48 5.664 -6.673 -7.290 1.00 0.00 C ATOM 680 O ASP A 48 5.383 -5.641 -7.897 1.00 0.00 O ATOM 681 CB ASP A 48 5.795 -6.385 -4.835 1.00 0.00 C ATOM 682 CG ASP A 48 5.562 -7.617 -3.959 1.00 0.00 C ATOM 683 OD1 ASP A 48 6.415 -8.530 -4.024 1.00 0.00 O ATOM 684 OD2 ASP A 48 4.539 -7.619 -3.243 1.00 0.00 O ATOM 0 H ASP A 48 7.396 -4.709 -5.812 1.00 0.00 H new ATOM 0 HA ASP A 48 7.159 -7.579 -5.997 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.294 -5.622 -4.238 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.827 -5.978 -5.128 1.00 0.00 H new ATOM 689 N GLN A 49 5.191 -7.874 -7.591 1.00 0.00 N ATOM 690 CA GLN A 49 4.270 -8.059 -8.700 1.00 0.00 C ATOM 691 C GLN A 49 2.876 -8.419 -8.179 1.00 0.00 C ATOM 692 O GLN A 49 2.741 -9.256 -7.288 1.00 0.00 O ATOM 693 CB GLN A 49 4.786 -9.125 -9.669 1.00 0.00 C ATOM 694 CG GLN A 49 6.188 -8.775 -10.173 1.00 0.00 C ATOM 695 CD GLN A 49 6.249 -8.827 -11.701 1.00 0.00 C ATOM 696 OE1 GLN A 49 6.781 -9.751 -12.295 1.00 0.00 O ATOM 697 NE2 GLN A 49 5.677 -7.788 -12.301 1.00 0.00 N ATOM 0 H GLN A 49 5.428 -8.728 -7.086 1.00 0.00 H new ATOM 0 HA GLN A 49 4.199 -7.120 -9.249 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.806 -10.095 -9.172 1.00 0.00 H new ATOM 0 HB3 GLN A 49 4.104 -9.214 -10.514 1.00 0.00 H new ATOM 0 HG2 GLN A 49 6.464 -7.779 -9.828 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.914 -9.471 -9.752 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.250 -7.049 -11.743 1.00 0.00 H new ATOM 0 HE22 GLN A 49 5.665 -7.730 -13.319 1.00 0.00 H new ATOM 706 N MET A 50 1.878 -7.770 -8.759 1.00 0.00 N ATOM 707 CA MET A 50 0.500 -8.011 -8.364 1.00 0.00 C ATOM 708 C MET A 50 -0.372 -8.323 -9.583 1.00 0.00 C ATOM 709 O MET A 50 -0.122 -7.815 -10.675 1.00 0.00 O ATOM 710 CB MET A 50 -0.049 -6.778 -7.644 1.00 0.00 C ATOM 711 CG MET A 50 0.866 -6.364 -6.490 1.00 0.00 C ATOM 712 SD MET A 50 0.452 -4.717 -5.943 1.00 0.00 S ATOM 713 CE MET A 50 1.928 -3.845 -6.442 1.00 0.00 C ATOM 0 H MET A 50 1.995 -7.078 -9.499 1.00 0.00 H new ATOM 0 HA MET A 50 0.478 -8.871 -7.695 1.00 0.00 H new ATOM 0 HB2 MET A 50 -0.146 -5.953 -8.350 1.00 0.00 H new ATOM 0 HB3 MET A 50 -1.048 -6.990 -7.263 1.00 0.00 H new ATOM 0 HG2 MET A 50 0.763 -7.067 -5.663 1.00 0.00 H new ATOM 0 HG3 MET A 50 1.907 -6.399 -6.810 1.00 0.00 H new ATOM 0 HE1 MET A 50 1.837 -2.793 -6.173 1.00 0.00 H new ATOM 0 HE2 MET A 50 2.793 -4.275 -5.937 1.00 0.00 H new ATOM 0 HE3 MET A 50 2.056 -3.934 -7.521 1.00 0.00 H new ATOM 723 N VAL A 51 -1.378 -9.154 -9.354 1.00 0.00 N ATOM 724 CA VAL A 51 -2.289 -9.538 -10.419 1.00 0.00 C ATOM 725 C VAL A 51 -3.506 -8.612 -10.402 1.00 0.00 C ATOM 726 O VAL A 51 -4.458 -8.846 -9.659 1.00 0.00 O ATOM 727 CB VAL A 51 -2.659 -11.017 -10.282 1.00 0.00 C ATOM 728 CG1 VAL A 51 -3.877 -11.358 -11.143 1.00 0.00 C ATOM 729 CG2 VAL A 51 -1.472 -11.915 -10.632 1.00 0.00 C ATOM 0 H VAL A 51 -1.582 -9.572 -8.446 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.810 -9.425 -11.392 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.921 -11.201 -9.240 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.120 -12.414 -11.028 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.727 -10.754 -10.826 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.653 -11.149 -12.189 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.763 -12.960 -10.526 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.164 -11.726 -11.660 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.642 -11.699 -9.959 1.00 0.00 H new ATOM 739 N VAL A 52 -3.436 -7.580 -11.228 1.00 0.00 N ATOM 740 CA VAL A 52 -4.520 -6.616 -11.318 1.00 0.00 C ATOM 741 C VAL A 52 -5.797 -7.334 -11.763 1.00 0.00 C ATOM 742 O VAL A 52 -5.839 -7.921 -12.843 1.00 0.00 O ATOM 743 CB VAL A 52 -4.125 -5.467 -12.247 1.00 0.00 C ATOM 744 CG1 VAL A 52 -5.363 -4.752 -12.791 1.00 0.00 C ATOM 745 CG2 VAL A 52 -3.192 -4.485 -11.538 1.00 0.00 C ATOM 0 H VAL A 52 -2.644 -7.389 -11.842 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.718 -6.172 -10.343 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.584 -5.891 -13.093 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.054 -3.939 -13.449 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.975 -5.459 -13.351 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.943 -4.347 -11.962 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.926 -3.678 -12.221 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.696 -4.071 -10.665 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.288 -5.005 -11.222 1.00 0.00 H new ATOM 755 N LEU A 53 -6.807 -7.263 -10.908 1.00 0.00 N ATOM 756 CA LEU A 53 -8.081 -7.897 -11.199 1.00 0.00 C ATOM 757 C LEU A 53 -9.080 -6.834 -11.663 1.00 0.00 C ATOM 758 O LEU A 53 -9.712 -6.986 -12.707 1.00 0.00 O ATOM 759 CB LEU A 53 -8.562 -8.711 -9.996 1.00 0.00 C ATOM 760 CG LEU A 53 -7.485 -9.496 -9.244 1.00 0.00 C ATOM 761 CD1 LEU A 53 -8.014 -10.002 -7.901 1.00 0.00 C ATOM 762 CD2 LEU A 53 -6.931 -10.631 -10.107 1.00 0.00 C ATOM 0 H LEU A 53 -6.768 -6.775 -10.013 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.974 -8.612 -12.015 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.046 -8.033 -9.294 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.323 -9.413 -10.338 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.656 -8.821 -9.030 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -7.229 -10.557 -7.386 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.321 -9.154 -7.288 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.869 -10.656 -8.070 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.167 -11.173 -9.549 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -7.738 -11.313 -10.373 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.492 -10.217 -11.015 1.00 0.00 H new ATOM 774 N GLU A 54 -9.192 -5.784 -10.863 1.00 0.00 N ATOM 775 CA GLU A 54 -10.103 -4.697 -11.178 1.00 0.00 C ATOM 776 C GLU A 54 -9.333 -3.507 -11.754 1.00 0.00 C ATOM 777 O GLU A 54 -8.123 -3.589 -11.963 1.00 0.00 O ATOM 778 CB GLU A 54 -10.909 -4.283 -9.946 1.00 0.00 C ATOM 779 CG GLU A 54 -11.968 -5.334 -9.605 1.00 0.00 C ATOM 780 CD GLU A 54 -13.379 -4.759 -9.753 1.00 0.00 C ATOM 781 OE1 GLU A 54 -13.555 -3.915 -10.657 1.00 0.00 O ATOM 782 OE2 GLU A 54 -14.247 -5.178 -8.958 1.00 0.00 O ATOM 0 H GLU A 54 -8.667 -5.663 -9.997 1.00 0.00 H new ATOM 0 HA GLU A 54 -10.807 -5.048 -11.932 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -10.239 -4.148 -9.097 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.390 -3.322 -10.128 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.853 -6.197 -10.260 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -11.820 -5.686 -8.584 1.00 0.00 H new ATOM 822 N GLU A 58 -7.953 4.657 -11.183 1.00 0.00 N ATOM 823 CA GLU A 58 -6.536 4.728 -10.873 1.00 0.00 C ATOM 824 C GLU A 58 -6.108 3.500 -10.065 1.00 0.00 C ATOM 825 O GLU A 58 -5.310 2.691 -10.535 1.00 0.00 O ATOM 826 CB GLU A 58 -6.200 6.020 -10.126 1.00 0.00 C ATOM 827 CG GLU A 58 -6.662 7.245 -10.916 1.00 0.00 C ATOM 828 CD GLU A 58 -6.092 7.228 -12.336 1.00 0.00 C ATOM 829 OE1 GLU A 58 -5.029 6.596 -12.513 1.00 0.00 O ATOM 830 OE2 GLU A 58 -6.731 7.850 -13.212 1.00 0.00 O ATOM 0 HA GLU A 58 -5.980 4.735 -11.810 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.678 6.013 -9.146 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.125 6.077 -9.956 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -7.751 7.266 -10.958 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.345 8.153 -10.404 1.00 0.00 H new ATOM 837 N TRP A 59 -6.659 3.401 -8.863 1.00 0.00 N ATOM 838 CA TRP A 59 -6.344 2.286 -7.987 1.00 0.00 C ATOM 839 C TRP A 59 -7.015 1.034 -8.552 1.00 0.00 C ATOM 840 O TRP A 59 -8.169 1.083 -8.977 1.00 0.00 O ATOM 841 CB TRP A 59 -6.760 2.589 -6.545 1.00 0.00 C ATOM 842 CG TRP A 59 -6.322 3.968 -6.047 1.00 0.00 C ATOM 843 CD1 TRP A 59 -6.842 5.162 -6.361 1.00 0.00 C ATOM 844 CD2 TRP A 59 -5.246 4.248 -5.128 1.00 0.00 C ATOM 845 NE1 TRP A 59 -6.184 6.187 -5.714 1.00 0.00 N ATOM 846 CE2 TRP A 59 -5.182 5.613 -4.939 1.00 0.00 C ATOM 847 CE3 TRP A 59 -4.357 3.376 -4.476 1.00 0.00 C ATOM 848 CZ2 TRP A 59 -4.244 6.229 -4.101 1.00 0.00 C ATOM 849 CZ3 TRP A 59 -3.425 4.006 -3.641 1.00 0.00 C ATOM 850 CH2 TRP A 59 -3.348 5.380 -3.442 1.00 0.00 C ATOM 0 H TRP A 59 -7.321 4.074 -8.476 1.00 0.00 H new ATOM 0 HA TRP A 59 -5.268 2.116 -7.951 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -7.845 2.514 -6.467 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.340 1.827 -5.889 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -7.673 5.304 -7.036 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -6.394 7.182 -5.790 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -4.390 2.305 -4.608 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -4.214 7.301 -3.971 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -2.718 3.381 -3.116 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -2.599 5.791 -2.781 1.00 0.00 H new ATOM 861 N TRP A 60 -6.266 -0.058 -8.541 1.00 0.00 N ATOM 862 CA TRP A 60 -6.774 -1.320 -9.049 1.00 0.00 C ATOM 863 C TRP A 60 -6.659 -2.360 -7.931 1.00 0.00 C ATOM 864 O TRP A 60 -5.816 -2.232 -7.045 1.00 0.00 O ATOM 865 CB TRP A 60 -6.042 -1.733 -10.326 1.00 0.00 C ATOM 866 CG TRP A 60 -5.831 -0.588 -11.319 1.00 0.00 C ATOM 867 CD1 TRP A 60 -6.649 0.442 -11.578 1.00 0.00 C ATOM 868 CD2 TRP A 60 -4.689 -0.397 -12.182 1.00 0.00 C ATOM 869 NE1 TRP A 60 -6.120 1.279 -12.540 1.00 0.00 N ATOM 870 CE2 TRP A 60 -4.891 0.752 -12.918 1.00 0.00 C ATOM 871 CE3 TRP A 60 -3.525 -1.170 -12.334 1.00 0.00 C ATOM 872 CZ2 TRP A 60 -3.970 1.231 -13.859 1.00 0.00 C ATOM 873 CZ3 TRP A 60 -2.615 -0.678 -13.277 1.00 0.00 C ATOM 874 CH2 TRP A 60 -2.804 0.478 -14.028 1.00 0.00 C ATOM 0 H TRP A 60 -5.310 -0.095 -8.188 1.00 0.00 H new ATOM 0 HA TRP A 60 -7.822 -1.227 -9.333 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -5.072 -2.151 -10.058 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -6.607 -2.526 -10.816 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -7.602 0.597 -11.095 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -6.552 2.128 -12.906 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -3.347 -2.072 -11.768 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -4.151 2.134 -14.424 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -1.703 -1.234 -13.432 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -2.054 0.792 -14.738 1.00 0.00 H new ATOM 885 N LYS A 61 -7.518 -3.365 -8.011 1.00 0.00 N ATOM 886 CA LYS A 61 -7.522 -4.426 -7.018 1.00 0.00 C ATOM 887 C LYS A 61 -6.694 -5.604 -7.533 1.00 0.00 C ATOM 888 O LYS A 61 -7.193 -6.433 -8.293 1.00 0.00 O ATOM 889 CB LYS A 61 -8.957 -4.801 -6.642 1.00 0.00 C ATOM 890 CG LYS A 61 -8.975 -5.877 -5.554 1.00 0.00 C ATOM 891 CD LYS A 61 -9.977 -6.982 -5.893 1.00 0.00 C ATOM 892 CE LYS A 61 -10.685 -7.486 -4.633 1.00 0.00 C ATOM 893 NZ LYS A 61 -12.088 -7.848 -4.936 1.00 0.00 N ATOM 0 H LYS A 61 -8.216 -3.467 -8.748 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.053 -4.086 -6.095 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -9.488 -3.916 -6.292 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.486 -5.162 -7.524 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.979 -6.305 -5.445 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -9.235 -5.427 -4.596 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -10.714 -6.605 -6.602 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.461 -7.809 -6.380 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -10.158 -8.353 -4.235 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.660 -6.716 -3.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -12.554 -8.188 -4.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -12.592 -7.012 -5.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -12.105 -8.599 -5.656 1.00 0.00 H new ATOM 907 N ALA A 62 -5.443 -5.643 -7.099 1.00 0.00 N ATOM 908 CA ALA A 62 -4.541 -6.706 -7.506 1.00 0.00 C ATOM 909 C ALA A 62 -4.189 -7.565 -6.289 1.00 0.00 C ATOM 910 O ALA A 62 -4.425 -7.161 -5.151 1.00 0.00 O ATOM 911 CB ALA A 62 -3.303 -6.099 -8.169 1.00 0.00 C ATOM 0 H ALA A 62 -5.033 -4.954 -6.469 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.019 -7.355 -8.240 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -2.626 -6.897 -8.475 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.604 -5.524 -9.044 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.796 -5.444 -7.461 1.00 0.00 H new ATOM 917 N ARG A 63 -3.631 -8.732 -6.571 1.00 0.00 N ATOM 918 CA ARG A 63 -3.243 -9.651 -5.513 1.00 0.00 C ATOM 919 C ARG A 63 -1.723 -9.818 -5.485 1.00 0.00 C ATOM 920 O ARG A 63 -1.112 -10.151 -6.500 1.00 0.00 O ATOM 921 CB ARG A 63 -3.896 -11.021 -5.708 1.00 0.00 C ATOM 922 CG ARG A 63 -3.093 -12.116 -5.003 1.00 0.00 C ATOM 923 CD ARG A 63 -2.280 -12.934 -6.010 1.00 0.00 C ATOM 924 NE ARG A 63 -3.187 -13.734 -6.862 1.00 0.00 N ATOM 925 CZ ARG A 63 -2.787 -14.754 -7.633 1.00 0.00 C ATOM 926 NH1 ARG A 63 -1.494 -15.103 -7.666 1.00 0.00 N ATOM 927 NH2 ARG A 63 -3.682 -15.425 -8.374 1.00 0.00 N ATOM 0 H ARG A 63 -3.438 -9.063 -7.516 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.583 -9.230 -4.567 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -4.913 -11.002 -5.317 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -3.968 -11.246 -6.772 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.424 -11.666 -4.270 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -3.769 -12.773 -4.457 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -1.678 -12.269 -6.629 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.589 -13.592 -5.483 1.00 0.00 H new ATOM 0 HE ARG A 63 -4.178 -13.494 -6.862 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.813 -14.592 -7.104 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.190 -15.880 -8.253 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.666 -15.158 -8.350 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -3.378 -16.202 -8.961 1.00 0.00 H new ATOM 941 N SER A 64 -1.155 -9.578 -4.313 1.00 0.00 N ATOM 942 CA SER A 64 0.283 -9.698 -4.139 1.00 0.00 C ATOM 943 C SER A 64 0.730 -11.128 -4.450 1.00 0.00 C ATOM 944 O SER A 64 0.127 -12.088 -3.974 1.00 0.00 O ATOM 945 CB SER A 64 0.701 -9.307 -2.721 1.00 0.00 C ATOM 946 OG SER A 64 1.937 -8.600 -2.704 1.00 0.00 O ATOM 0 H SER A 64 -1.664 -9.301 -3.474 1.00 0.00 H new ATOM 0 HA SER A 64 0.770 -9.013 -4.833 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.076 -8.689 -2.272 1.00 0.00 H new ATOM 0 HB3 SER A 64 0.788 -10.204 -2.109 1.00 0.00 H new ATOM 0 HG SER A 64 2.168 -8.367 -1.781 1.00 0.00 H new ATOM 952 N LEU A 65 1.785 -11.224 -5.247 1.00 0.00 N ATOM 953 CA LEU A 65 2.320 -12.520 -5.626 1.00 0.00 C ATOM 954 C LEU A 65 3.343 -12.970 -4.583 1.00 0.00 C ATOM 955 O LEU A 65 4.149 -13.862 -4.842 1.00 0.00 O ATOM 956 CB LEU A 65 2.875 -12.474 -7.052 1.00 0.00 C ATOM 957 CG LEU A 65 1.848 -12.616 -8.177 1.00 0.00 C ATOM 958 CD1 LEU A 65 0.822 -11.483 -8.127 1.00 0.00 C ATOM 959 CD2 LEU A 65 2.536 -12.707 -9.541 1.00 0.00 C ATOM 0 H LEU A 65 2.283 -10.425 -5.640 1.00 0.00 H new ATOM 0 HA LEU A 65 1.528 -13.269 -5.640 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.402 -11.529 -7.185 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.614 -13.269 -7.159 1.00 0.00 H new ATOM 0 HG LEU A 65 1.305 -13.550 -8.028 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.103 -11.607 -8.937 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.299 -11.508 -7.171 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.331 -10.526 -8.237 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.783 -12.807 -10.322 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.121 -11.804 -9.715 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.195 -13.575 -9.559 1.00 0.00 H new ATOM 971 N ALA A 66 3.279 -12.332 -3.423 1.00 0.00 N ATOM 972 CA ALA A 66 4.190 -12.656 -2.338 1.00 0.00 C ATOM 973 C ALA A 66 3.392 -13.206 -1.155 1.00 0.00 C ATOM 974 O ALA A 66 3.881 -14.060 -0.417 1.00 0.00 O ATOM 975 CB ALA A 66 5.002 -11.413 -1.967 1.00 0.00 C ATOM 0 H ALA A 66 2.610 -11.592 -3.211 1.00 0.00 H new ATOM 0 HA ALA A 66 4.896 -13.427 -2.646 1.00 0.00 H new ATOM 0 HB1 ALA A 66 5.686 -11.655 -1.153 1.00 0.00 H new ATOM 0 HB2 ALA A 66 5.573 -11.079 -2.834 1.00 0.00 H new ATOM 0 HB3 ALA A 66 4.327 -10.619 -1.650 1.00 0.00 H new ATOM 981 N THR A 67 2.178 -12.697 -1.013 1.00 0.00 N ATOM 982 CA THR A 67 1.307 -13.129 0.068 1.00 0.00 C ATOM 983 C THR A 67 -0.089 -13.452 -0.468 1.00 0.00 C ATOM 984 O THR A 67 -1.032 -13.613 0.304 1.00 0.00 O ATOM 985 CB THR A 67 1.308 -12.036 1.140 1.00 0.00 C ATOM 986 OG1 THR A 67 1.139 -10.828 0.404 1.00 0.00 O ATOM 987 CG2 THR A 67 2.673 -11.876 1.811 1.00 0.00 C ATOM 0 H THR A 67 1.776 -11.989 -1.628 1.00 0.00 H new ATOM 0 HA THR A 67 1.668 -14.052 0.522 1.00 0.00 H new ATOM 0 HB THR A 67 0.557 -12.268 1.896 1.00 0.00 H new ATOM 0 HG1 THR A 67 1.710 -10.129 0.787 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.619 -11.088 2.563 1.00 0.00 H new ATOM 0 HG22 THR A 67 2.956 -12.814 2.288 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.418 -11.611 1.061 1.00 0.00 H new ATOM 995 N ARG A 68 -0.175 -13.538 -1.788 1.00 0.00 N ATOM 996 CA ARG A 68 -1.440 -13.841 -2.436 1.00 0.00 C ATOM 997 C ARG A 68 -2.560 -12.983 -1.840 1.00 0.00 C ATOM 998 O ARG A 68 -3.730 -13.359 -1.897 1.00 0.00 O ATOM 999 CB ARG A 68 -1.801 -15.319 -2.278 1.00 0.00 C ATOM 1000 CG ARG A 68 -2.123 -15.653 -0.821 1.00 0.00 C ATOM 1001 CD ARG A 68 -2.897 -16.969 -0.716 1.00 0.00 C ATOM 1002 NE ARG A 68 -1.986 -18.110 -0.953 1.00 0.00 N ATOM 1003 CZ ARG A 68 -2.391 -19.326 -1.347 1.00 0.00 C ATOM 1004 NH1 ARG A 68 -3.694 -19.564 -1.553 1.00 0.00 N ATOM 1005 NH2 ARG A 68 -1.494 -20.303 -1.537 1.00 0.00 N ATOM 0 H ARG A 68 0.610 -13.403 -2.425 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.331 -13.618 -3.497 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -2.659 -15.557 -2.907 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -0.972 -15.938 -2.622 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -1.198 -15.724 -0.248 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.709 -14.846 -0.381 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -3.353 -17.055 0.270 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -3.708 -16.983 -1.444 1.00 0.00 H new ATOM 0 HE ARG A 68 -0.987 -17.963 -0.808 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.377 -18.820 -1.410 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -4.002 -20.489 -1.853 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -0.502 -20.122 -1.382 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -1.803 -21.228 -1.837 1.00 0.00 H new ATOM 1019 N LYS A 69 -2.161 -11.849 -1.285 1.00 0.00 N ATOM 1020 CA LYS A 69 -3.116 -10.935 -0.680 1.00 0.00 C ATOM 1021 C LYS A 69 -4.006 -10.340 -1.772 1.00 0.00 C ATOM 1022 O LYS A 69 -3.804 -10.605 -2.957 1.00 0.00 O ATOM 1023 CB LYS A 69 -2.392 -9.885 0.164 1.00 0.00 C ATOM 1024 CG LYS A 69 -2.099 -10.417 1.568 1.00 0.00 C ATOM 1025 CD LYS A 69 -1.059 -9.548 2.279 1.00 0.00 C ATOM 1026 CE LYS A 69 -1.168 -9.693 3.798 1.00 0.00 C ATOM 1027 NZ LYS A 69 0.005 -9.082 4.462 1.00 0.00 N ATOM 0 H LYS A 69 -1.189 -11.541 -1.241 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.770 -11.468 0.010 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.459 -9.602 -0.323 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.002 -8.984 0.232 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.019 -10.439 2.152 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.738 -11.443 1.504 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -0.058 -9.833 1.954 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -1.200 -8.504 1.999 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.082 -9.216 4.150 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.236 -10.748 4.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -0.085 -9.189 5.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.873 -9.556 4.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 0.052 -8.071 4.222 1.00 0.00 H new ATOM 1041 N GLU A 70 -4.973 -9.546 -1.334 1.00 0.00 N ATOM 1042 CA GLU A 70 -5.896 -8.911 -2.261 1.00 0.00 C ATOM 1043 C GLU A 70 -6.367 -7.567 -1.701 1.00 0.00 C ATOM 1044 O GLU A 70 -6.862 -7.497 -0.577 1.00 0.00 O ATOM 1045 CB GLU A 70 -7.085 -9.825 -2.564 1.00 0.00 C ATOM 1046 CG GLU A 70 -6.752 -10.798 -3.697 1.00 0.00 C ATOM 1047 CD GLU A 70 -7.861 -11.839 -3.868 1.00 0.00 C ATOM 1048 OE1 GLU A 70 -8.440 -12.226 -2.831 1.00 0.00 O ATOM 1049 OE2 GLU A 70 -8.102 -12.225 -5.032 1.00 0.00 O ATOM 0 H GLU A 70 -5.137 -9.328 -0.351 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.372 -8.730 -3.199 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.357 -10.383 -1.668 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.951 -9.223 -2.839 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.619 -10.247 -4.628 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -5.807 -11.299 -3.485 1.00 0.00 H new ATOM 1056 N GLY A 71 -6.196 -6.532 -2.511 1.00 0.00 N ATOM 1057 CA GLY A 71 -6.598 -5.194 -2.111 1.00 0.00 C ATOM 1058 C GLY A 71 -6.263 -4.173 -3.200 1.00 0.00 C ATOM 1059 O GLY A 71 -5.494 -4.465 -4.115 1.00 0.00 O ATOM 0 H GLY A 71 -5.785 -6.593 -3.442 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.669 -5.177 -1.909 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -6.094 -4.921 -1.184 1.00 0.00 H new ATOM 1063 N TYR A 72 -6.857 -2.997 -3.066 1.00 0.00 N ATOM 1064 CA TYR A 72 -6.632 -1.931 -4.027 1.00 0.00 C ATOM 1065 C TYR A 72 -5.212 -1.373 -3.905 1.00 0.00 C ATOM 1066 O TYR A 72 -4.699 -1.211 -2.799 1.00 0.00 O ATOM 1067 CB TYR A 72 -7.632 -0.828 -3.676 1.00 0.00 C ATOM 1068 CG TYR A 72 -9.088 -1.190 -3.973 1.00 0.00 C ATOM 1069 CD1 TYR A 72 -9.414 -1.830 -5.152 1.00 0.00 C ATOM 1070 CD2 TYR A 72 -10.077 -0.878 -3.062 1.00 0.00 C ATOM 1071 CE1 TYR A 72 -10.784 -2.172 -5.431 1.00 0.00 C ATOM 1072 CE2 TYR A 72 -11.447 -1.221 -3.340 1.00 0.00 C ATOM 1073 CZ TYR A 72 -11.733 -1.849 -4.512 1.00 0.00 C ATOM 1074 OH TYR A 72 -13.028 -2.172 -4.775 1.00 0.00 O ATOM 0 H TYR A 72 -7.494 -2.759 -2.306 1.00 0.00 H new ATOM 0 HA TYR A 72 -6.757 -2.300 -5.045 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -7.537 -0.589 -2.617 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -7.372 0.074 -4.231 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -8.641 -2.074 -5.865 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -9.823 -0.376 -2.140 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -11.052 -2.674 -6.349 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -12.230 -0.985 -2.634 1.00 0.00 H new ATOM 0 HH TYR A 72 -13.595 -1.882 -4.030 1.00 0.00 H new ATOM 1084 N ILE A 73 -4.618 -1.096 -5.056 1.00 0.00 N ATOM 1085 CA ILE A 73 -3.268 -0.561 -5.092 1.00 0.00 C ATOM 1086 C ILE A 73 -3.213 0.608 -6.077 1.00 0.00 C ATOM 1087 O ILE A 73 -3.988 0.658 -7.030 1.00 0.00 O ATOM 1088 CB ILE A 73 -2.260 -1.670 -5.397 1.00 0.00 C ATOM 1089 CG1 ILE A 73 -2.641 -2.423 -6.673 1.00 0.00 C ATOM 1090 CG2 ILE A 73 -2.101 -2.612 -4.201 1.00 0.00 C ATOM 1091 CD1 ILE A 73 -1.524 -2.337 -7.715 1.00 0.00 C ATOM 0 H ILE A 73 -5.047 -1.232 -5.971 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.988 -0.168 -4.115 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.289 -1.208 -5.574 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.843 -3.468 -6.436 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.560 -2.006 -7.085 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.379 -3.391 -4.445 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.748 -2.048 -3.338 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.063 -3.069 -3.967 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.821 -2.881 -8.612 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.341 -1.292 -7.967 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.613 -2.777 -7.309 1.00 0.00 H new ATOM 1103 N PRO A 74 -2.265 1.545 -5.806 1.00 0.00 N ATOM 1104 CA PRO A 74 -2.099 2.710 -6.658 1.00 0.00 C ATOM 1105 C PRO A 74 -1.405 2.337 -7.969 1.00 0.00 C ATOM 1106 O PRO A 74 -0.328 1.742 -7.958 1.00 0.00 O ATOM 1107 CB PRO A 74 -1.300 3.697 -5.822 1.00 0.00 C ATOM 1108 CG PRO A 74 -0.651 2.879 -4.718 1.00 0.00 C ATOM 1109 CD PRO A 74 -1.329 1.519 -4.685 1.00 0.00 C ATOM 0 HA PRO A 74 -3.050 3.146 -6.965 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -0.548 4.202 -6.428 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -1.946 4.470 -5.407 1.00 0.00 H new ATOM 0 HG2 PRO A 74 0.418 2.768 -4.903 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -0.758 3.382 -3.757 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -0.604 0.712 -4.793 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -1.847 1.358 -3.740 1.00 0.00 H new ATOM 1117 N SER A 75 -2.049 2.701 -9.067 1.00 0.00 N ATOM 1118 CA SER A 75 -1.507 2.412 -10.384 1.00 0.00 C ATOM 1119 C SER A 75 -0.301 3.311 -10.663 1.00 0.00 C ATOM 1120 O SER A 75 0.576 2.954 -11.448 1.00 0.00 O ATOM 1121 CB SER A 75 -2.569 2.596 -11.470 1.00 0.00 C ATOM 1122 OG SER A 75 -1.996 2.975 -12.719 1.00 0.00 O ATOM 0 H SER A 75 -2.942 3.194 -9.072 1.00 0.00 H new ATOM 0 HA SER A 75 -1.187 1.370 -10.400 1.00 0.00 H new ATOM 0 HB2 SER A 75 -3.126 1.667 -11.594 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.283 3.356 -11.153 1.00 0.00 H new ATOM 0 HG SER A 75 -2.412 2.458 -13.440 1.00 0.00 H new ATOM 1128 N ASN A 76 -0.296 4.461 -10.004 1.00 0.00 N ATOM 1129 CA ASN A 76 0.788 5.414 -10.171 1.00 0.00 C ATOM 1130 C ASN A 76 2.033 4.895 -9.449 1.00 0.00 C ATOM 1131 O ASN A 76 3.108 5.484 -9.557 1.00 0.00 O ATOM 1132 CB ASN A 76 0.425 6.773 -9.570 1.00 0.00 C ATOM 1133 CG ASN A 76 0.611 6.768 -8.051 1.00 0.00 C ATOM 1134 OD1 ASN A 76 0.636 5.732 -7.406 1.00 0.00 O ATOM 1135 ND2 ASN A 76 0.740 7.979 -7.517 1.00 0.00 N ATOM 0 H ASN A 76 -1.025 4.754 -9.354 1.00 0.00 H new ATOM 0 HA ASN A 76 0.973 5.530 -11.239 1.00 0.00 H new ATOM 0 HB2 ASN A 76 1.048 7.549 -10.014 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -0.609 7.017 -9.813 1.00 0.00 H new ATOM 0 HD21 ASN A 76 0.869 8.081 -6.510 1.00 0.00 H new ATOM 0 HD22 ASN A 76 0.710 8.805 -8.114 1.00 0.00 H new ATOM 1142 N TYR A 77 1.848 3.798 -8.730 1.00 0.00 N ATOM 1143 CA TYR A 77 2.943 3.193 -7.990 1.00 0.00 C ATOM 1144 C TYR A 77 3.311 1.829 -8.574 1.00 0.00 C ATOM 1145 O TYR A 77 4.097 1.088 -7.985 1.00 0.00 O ATOM 1146 CB TYR A 77 2.431 3.002 -6.561 1.00 0.00 C ATOM 1147 CG TYR A 77 3.035 3.978 -5.549 1.00 0.00 C ATOM 1148 CD1 TYR A 77 3.108 5.323 -5.846 1.00 0.00 C ATOM 1149 CD2 TYR A 77 3.507 3.511 -4.338 1.00 0.00 C ATOM 1150 CE1 TYR A 77 3.677 6.241 -4.892 1.00 0.00 C ATOM 1151 CE2 TYR A 77 4.074 4.429 -3.384 1.00 0.00 C ATOM 1152 CZ TYR A 77 4.132 5.748 -3.709 1.00 0.00 C ATOM 1153 OH TYR A 77 4.669 6.615 -2.809 1.00 0.00 O ATOM 0 H TYR A 77 0.956 3.312 -8.644 1.00 0.00 H new ATOM 0 HA TYR A 77 3.831 3.823 -8.035 1.00 0.00 H new ATOM 0 HB2 TYR A 77 1.347 3.114 -6.556 1.00 0.00 H new ATOM 0 HB3 TYR A 77 2.647 1.983 -6.241 1.00 0.00 H new ATOM 0 HD1 TYR A 77 2.739 5.688 -6.793 1.00 0.00 H new ATOM 0 HD2 TYR A 77 3.451 2.458 -4.106 1.00 0.00 H new ATOM 0 HE1 TYR A 77 3.741 7.297 -5.111 1.00 0.00 H new ATOM 0 HE2 TYR A 77 4.445 4.078 -2.432 1.00 0.00 H new ATOM 0 HH TYR A 77 4.443 7.534 -3.065 1.00 0.00 H new ATOM 1163 N VAL A 78 2.725 1.536 -9.727 1.00 0.00 N ATOM 1164 CA VAL A 78 2.982 0.273 -10.397 1.00 0.00 C ATOM 1165 C VAL A 78 3.285 0.536 -11.873 1.00 0.00 C ATOM 1166 O VAL A 78 3.134 1.660 -12.351 1.00 0.00 O ATOM 1167 CB VAL A 78 1.802 -0.679 -10.190 1.00 0.00 C ATOM 1168 CG1 VAL A 78 1.397 -0.738 -8.715 1.00 0.00 C ATOM 1169 CG2 VAL A 78 0.614 -0.279 -11.068 1.00 0.00 C ATOM 0 H VAL A 78 2.073 2.152 -10.213 1.00 0.00 H new ATOM 0 HA VAL A 78 3.856 -0.216 -9.967 1.00 0.00 H new ATOM 0 HB VAL A 78 2.121 -1.677 -10.491 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.556 -1.422 -8.596 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.239 -1.091 -8.120 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.106 0.257 -8.377 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.211 -0.972 -10.902 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.296 0.732 -10.812 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.909 -0.312 -12.117 1.00 0.00 H new ATOM 1179 N ALA A 79 3.708 -0.519 -12.555 1.00 0.00 N ATOM 1180 CA ALA A 79 4.033 -0.415 -13.968 1.00 0.00 C ATOM 1181 C ALA A 79 3.925 -1.797 -14.614 1.00 0.00 C ATOM 1182 O ALA A 79 4.729 -2.685 -14.329 1.00 0.00 O ATOM 1183 CB ALA A 79 5.427 0.196 -14.126 1.00 0.00 C ATOM 0 H ALA A 79 3.833 -1.449 -12.156 1.00 0.00 H new ATOM 0 HA ALA A 79 3.329 0.243 -14.478 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.672 0.275 -15.185 1.00 0.00 H new ATOM 0 HB2 ALA A 79 5.442 1.188 -13.675 1.00 0.00 H new ATOM 0 HB3 ALA A 79 6.161 -0.439 -13.630 1.00 0.00 H new ATOM 1189 N ARG A 80 2.926 -1.938 -15.471 1.00 0.00 N ATOM 1190 CA ARG A 80 2.702 -3.198 -16.161 1.00 0.00 C ATOM 1191 C ARG A 80 4.038 -3.831 -16.555 1.00 0.00 C ATOM 1192 O ARG A 80 4.966 -3.131 -16.957 1.00 0.00 O ATOM 1193 CB ARG A 80 1.850 -2.996 -17.416 1.00 0.00 C ATOM 1194 CG ARG A 80 0.379 -3.307 -17.135 1.00 0.00 C ATOM 1195 CD ARG A 80 -0.278 -3.983 -18.340 1.00 0.00 C ATOM 1196 NE ARG A 80 -1.431 -3.180 -18.806 1.00 0.00 N ATOM 1197 CZ ARG A 80 -2.028 -3.343 -19.994 1.00 0.00 C ATOM 1198 NH1 ARG A 80 -1.586 -4.279 -20.843 1.00 0.00 N ATOM 1199 NH2 ARG A 80 -3.068 -2.568 -20.332 1.00 0.00 N ATOM 0 H ARG A 80 2.261 -1.200 -15.704 1.00 0.00 H new ATOM 0 HA ARG A 80 2.169 -3.860 -15.478 1.00 0.00 H new ATOM 0 HB2 ARG A 80 1.948 -1.968 -17.765 1.00 0.00 H new ATOM 0 HB3 ARG A 80 2.215 -3.640 -18.216 1.00 0.00 H new ATOM 0 HG2 ARG A 80 0.301 -3.955 -16.262 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -0.152 -2.386 -16.896 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.448 -4.093 -19.146 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -0.609 -4.986 -18.069 1.00 0.00 H new ATOM 0 HE ARG A 80 -1.793 -2.458 -18.184 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -0.794 -4.868 -20.585 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -2.041 -4.403 -21.748 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -3.404 -1.855 -19.685 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -3.523 -2.691 -21.236 1.00 0.00 H new ATOM 1213 N VAL A 81 4.092 -5.149 -16.428 1.00 0.00 N ATOM 1214 CA VAL A 81 5.299 -5.884 -16.767 1.00 0.00 C ATOM 1215 C VAL A 81 5.524 -5.817 -18.278 1.00 0.00 C ATOM 1216 O VAL A 81 6.661 -5.890 -18.744 1.00 0.00 O ATOM 1217 CB VAL A 81 5.204 -7.317 -16.239 1.00 0.00 C ATOM 1218 CG1 VAL A 81 4.906 -8.300 -17.373 1.00 0.00 C ATOM 1219 CG2 VAL A 81 6.480 -7.712 -15.492 1.00 0.00 C ATOM 0 H VAL A 81 3.320 -5.727 -16.095 1.00 0.00 H new ATOM 0 HA VAL A 81 6.168 -5.433 -16.289 1.00 0.00 H new ATOM 0 HB VAL A 81 4.375 -7.360 -15.532 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.844 -9.311 -16.971 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.958 -8.037 -17.843 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.704 -8.253 -18.114 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.386 -8.735 -15.127 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.333 -7.645 -16.168 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.631 -7.038 -14.649 1.00 0.00 H new ATOM 1229 N ASP A 82 4.424 -5.678 -19.003 1.00 0.00 N ATOM 1230 CA ASP A 82 4.487 -5.601 -20.452 1.00 0.00 C ATOM 1231 C ASP A 82 4.748 -4.152 -20.870 1.00 0.00 C ATOM 1232 O ASP A 82 4.680 -3.823 -22.053 1.00 0.00 O ATOM 1233 CB ASP A 82 3.168 -6.046 -21.086 1.00 0.00 C ATOM 1234 CG ASP A 82 3.311 -6.923 -22.331 1.00 0.00 C ATOM 1235 OD1 ASP A 82 4.070 -7.912 -22.244 1.00 0.00 O ATOM 1236 OD2 ASP A 82 2.659 -6.585 -23.341 1.00 0.00 O ATOM 0 H ASP A 82 3.483 -5.617 -18.613 1.00 0.00 H new ATOM 0 HA ASP A 82 5.288 -6.258 -20.790 1.00 0.00 H new ATOM 0 HB2 ASP A 82 2.590 -6.592 -20.340 1.00 0.00 H new ATOM 0 HB3 ASP A 82 2.592 -5.159 -21.349 1.00 0.00 H new ATOM 1241 N SER A 83 5.041 -3.327 -19.876 1.00 0.00 N ATOM 1242 CA SER A 83 5.312 -1.922 -20.126 1.00 0.00 C ATOM 1243 C SER A 83 6.681 -1.543 -19.556 1.00 0.00 C ATOM 1244 O SER A 83 6.955 -0.368 -19.318 1.00 0.00 O ATOM 1245 CB SER A 83 4.222 -1.034 -19.521 1.00 0.00 C ATOM 1246 OG SER A 83 3.431 -0.402 -20.524 1.00 0.00 O ATOM 0 H SER A 83 5.097 -3.605 -18.896 1.00 0.00 H new ATOM 0 HA SER A 83 5.317 -1.762 -21.204 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.579 -1.636 -18.878 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.682 -0.274 -18.890 1.00 0.00 H new ATOM 0 HG SER A 83 2.746 0.154 -20.098 1.00 0.00 H new ATOM 1378 N PRO B 124 -6.540 11.066 -5.204 1.00 0.00 N ATOM 1379 CA PRO B 124 -5.796 11.459 -6.389 1.00 0.00 C ATOM 1380 C PRO B 124 -4.416 10.796 -6.412 1.00 0.00 C ATOM 1381 O PRO B 124 -3.401 11.477 -6.553 1.00 0.00 O ATOM 1382 CB PRO B 124 -5.726 12.976 -6.325 1.00 0.00 C ATOM 1383 CG PRO B 124 -6.026 13.347 -4.882 1.00 0.00 C ATOM 1384 CD PRO B 124 -6.605 12.120 -4.196 1.00 0.00 C ATOM 0 HA PRO B 124 -6.274 11.136 -7.314 1.00 0.00 H new ATOM 0 HB2 PRO B 124 -4.741 13.334 -6.624 1.00 0.00 H new ATOM 0 HB3 PRO B 124 -6.449 13.429 -7.003 1.00 0.00 H new ATOM 0 HG2 PRO B 124 -5.118 13.675 -4.375 1.00 0.00 H new ATOM 0 HG3 PRO B 124 -6.732 14.177 -4.840 1.00 0.00 H new ATOM 0 HD2 PRO B 124 -6.031 11.855 -3.308 1.00 0.00 H new ATOM 0 HD3 PRO B 124 -7.631 12.295 -3.872 1.00 0.00 H new ATOM 1392 N LEU B 125 -4.424 9.480 -6.274 1.00 0.00 N ATOM 1393 CA LEU B 125 -3.186 8.719 -6.278 1.00 0.00 C ATOM 1394 C LEU B 125 -2.289 9.206 -5.137 1.00 0.00 C ATOM 1395 O LEU B 125 -2.393 10.355 -4.708 1.00 0.00 O ATOM 1396 CB LEU B 125 -2.521 8.785 -7.654 1.00 0.00 C ATOM 1397 CG LEU B 125 -3.122 7.882 -8.733 1.00 0.00 C ATOM 1398 CD1 LEU B 125 -2.745 8.375 -10.132 1.00 0.00 C ATOM 1399 CD2 LEU B 125 -2.720 6.422 -8.512 1.00 0.00 C ATOM 0 H LEU B 125 -5.268 8.920 -6.159 1.00 0.00 H new ATOM 0 HA LEU B 125 -3.387 7.663 -6.097 1.00 0.00 H new ATOM 0 HB2 LEU B 125 -2.562 9.816 -8.006 1.00 0.00 H new ATOM 0 HB3 LEU B 125 -1.468 8.529 -7.539 1.00 0.00 H new ATOM 0 HG LEU B 125 -4.208 7.932 -8.655 1.00 0.00 H new ATOM 0 HD11 LEU B 125 -3.185 7.716 -10.881 1.00 0.00 H new ATOM 0 HD12 LEU B 125 -3.121 9.388 -10.274 1.00 0.00 H new ATOM 0 HD13 LEU B 125 -1.660 8.373 -10.239 1.00 0.00 H new ATOM 0 HD21 LEU B 125 -3.160 5.801 -9.292 1.00 0.00 H new ATOM 0 HD22 LEU B 125 -1.634 6.334 -8.548 1.00 0.00 H new ATOM 0 HD23 LEU B 125 -3.079 6.089 -7.538 1.00 0.00 H new ATOM 1411 N PRO B 126 -1.407 8.285 -4.666 1.00 0.00 N ATOM 1412 CA PRO B 126 -0.492 8.609 -3.584 1.00 0.00 C ATOM 1413 C PRO B 126 0.647 9.501 -4.078 1.00 0.00 C ATOM 1414 O PRO B 126 0.862 9.631 -5.283 1.00 0.00 O ATOM 1415 CB PRO B 126 -0.012 7.266 -3.060 1.00 0.00 C ATOM 1416 CG PRO B 126 -0.309 6.259 -4.159 1.00 0.00 C ATOM 1417 CD PRO B 126 -1.256 6.916 -5.150 1.00 0.00 C ATOM 0 HA PRO B 126 -0.967 9.185 -2.789 1.00 0.00 H new ATOM 0 HB2 PRO B 126 1.054 7.294 -2.833 1.00 0.00 H new ATOM 0 HB3 PRO B 126 -0.527 7.000 -2.137 1.00 0.00 H new ATOM 0 HG2 PRO B 126 0.612 5.954 -4.656 1.00 0.00 H new ATOM 0 HG3 PRO B 126 -0.759 5.359 -3.740 1.00 0.00 H new ATOM 0 HD2 PRO B 126 -0.848 6.896 -6.161 1.00 0.00 H new ATOM 0 HD3 PRO B 126 -2.215 6.400 -5.183 1.00 0.00 H new ATOM 1425 N PRO B 127 1.369 10.108 -3.098 1.00 0.00 N ATOM 1426 CA PRO B 127 2.484 10.983 -3.422 1.00 0.00 C ATOM 1427 C PRO B 127 3.703 10.176 -3.868 1.00 0.00 C ATOM 1428 O PRO B 127 4.255 9.396 -3.092 1.00 0.00 O ATOM 1429 CB PRO B 127 2.732 11.786 -2.155 1.00 0.00 C ATOM 1430 CG PRO B 127 2.064 11.011 -1.032 1.00 0.00 C ATOM 1431 CD PRO B 127 1.145 9.977 -1.662 1.00 0.00 C ATOM 0 HA PRO B 127 2.271 11.644 -4.262 1.00 0.00 H new ATOM 0 HB2 PRO B 127 3.800 11.901 -1.969 1.00 0.00 H new ATOM 0 HB3 PRO B 127 2.313 12.789 -2.240 1.00 0.00 H new ATOM 0 HG2 PRO B 127 2.812 10.525 -0.406 1.00 0.00 H new ATOM 0 HG3 PRO B 127 1.497 11.684 -0.388 1.00 0.00 H new ATOM 0 HD2 PRO B 127 1.383 8.972 -1.314 1.00 0.00 H new ATOM 0 HD3 PRO B 127 0.103 10.165 -1.405 1.00 0.00 H new ATOM 1439 N LEU B 128 4.090 10.390 -5.116 1.00 0.00 N ATOM 1440 CA LEU B 128 5.236 9.692 -5.676 1.00 0.00 C ATOM 1441 C LEU B 128 6.475 9.994 -4.829 1.00 0.00 C ATOM 1442 O LEU B 128 6.754 11.152 -4.523 1.00 0.00 O ATOM 1443 CB LEU B 128 5.403 10.038 -7.157 1.00 0.00 C ATOM 1444 CG LEU B 128 4.548 9.231 -8.135 1.00 0.00 C ATOM 1445 CD1 LEU B 128 4.947 9.524 -9.583 1.00 0.00 C ATOM 1446 CD2 LEU B 128 4.612 7.737 -7.815 1.00 0.00 C ATOM 0 H LEU B 128 3.631 11.037 -5.757 1.00 0.00 H new ATOM 0 HA LEU B 128 5.080 8.614 -5.641 1.00 0.00 H new ATOM 0 HB2 LEU B 128 5.173 11.095 -7.291 1.00 0.00 H new ATOM 0 HB3 LEU B 128 6.451 9.904 -7.425 1.00 0.00 H new ATOM 0 HG LEU B 128 3.510 9.542 -8.018 1.00 0.00 H new ATOM 0 HD11 LEU B 128 4.324 8.937 -10.258 1.00 0.00 H new ATOM 0 HD12 LEU B 128 4.808 10.585 -9.791 1.00 0.00 H new ATOM 0 HD13 LEU B 128 5.994 9.259 -9.733 1.00 0.00 H new ATOM 0 HD21 LEU B 128 3.995 7.186 -8.525 1.00 0.00 H new ATOM 0 HD22 LEU B 128 5.644 7.393 -7.887 1.00 0.00 H new ATOM 0 HD23 LEU B 128 4.242 7.565 -6.804 1.00 0.00 H new ATOM 1458 N PRO B 129 7.203 8.904 -4.467 1.00 0.00 N ATOM 1459 CA PRO B 129 8.404 9.041 -3.662 1.00 0.00 C ATOM 1460 C PRO B 129 9.566 9.581 -4.498 1.00 0.00 C ATOM 1461 O PRO B 129 9.355 10.127 -5.580 1.00 0.00 O ATOM 1462 CB PRO B 129 8.667 7.650 -3.109 1.00 0.00 C ATOM 1463 CG PRO B 129 7.880 6.694 -3.990 1.00 0.00 C ATOM 1464 CD PRO B 129 6.902 7.518 -4.811 1.00 0.00 C ATOM 0 HA PRO B 129 8.288 9.762 -2.853 1.00 0.00 H new ATOM 0 HB2 PRO B 129 9.731 7.416 -3.132 1.00 0.00 H new ATOM 0 HB3 PRO B 129 8.347 7.576 -2.070 1.00 0.00 H new ATOM 0 HG2 PRO B 129 8.551 6.136 -4.643 1.00 0.00 H new ATOM 0 HG3 PRO B 129 7.347 5.964 -3.381 1.00 0.00 H new ATOM 0 HD2 PRO B 129 7.031 7.338 -5.878 1.00 0.00 H new ATOM 0 HD3 PRO B 129 5.870 7.265 -4.568 1.00 0.00 H new