USER MOD reduce.3.24.130724 H: found=0, std=0, add=492, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 493 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 49 ASN : amide:sc= -1.12 K(o=0.3,f=-4!) USER MOD Set 1.2: A 52 THR OG1 : rot 108:sc= 1.23 USER MOD Set 1.3: A 76 CYS SG : rot -12:sc= 0.197 USER MOD Set 2.1: A 31 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 34 SER OG : rot -120:sc= 0.973 USER MOD Set 3.1: A 29 ASN : amide:sc= -2.23 X(o=-4,f=-3.6) USER MOD Set 3.2: A 89 GLN : amide:sc= -1.76! C(o=-4!,f=-5.6!) USER MOD Single : A 32 TYR OH : rot 180:sc=-0.00839 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0765 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.17 K(o=-0.17,f=-1.7!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -2.38! C(o=-2.4!,f=-12!) USER MOD Single : A 63 GLN : amide:sc= -0.0514 X(o=-0.051,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -2.14 K(o=-2.1,f=-3.3!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 79:sc= 0.655 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 87:sc= 1.23 USER MOD Single : A 85 GLN : amide:sc= -1.42 K(o=-1.4,f=-4) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -153:sc= -0.237 (180deg=-1.04) USER MOD ----------------------------------------------------------------- ATOM 390 N ILE A 28 -38.460 1.330 -11.277 1.00 0.00 N ATOM 391 CA ILE A 28 -37.831 2.643 -11.333 1.00 0.00 C ATOM 392 C ILE A 28 -38.091 3.322 -12.673 1.00 0.00 C ATOM 393 O ILE A 28 -38.107 2.671 -13.717 1.00 0.00 O ATOM 394 CB ILE A 28 -36.310 2.549 -11.105 1.00 0.00 C ATOM 395 CG1 ILE A 28 -36.010 1.699 -9.869 1.00 0.00 C ATOM 396 CG2 ILE A 28 -35.710 3.939 -10.957 1.00 0.00 C ATOM 397 CD1 ILE A 28 -36.622 2.243 -8.597 1.00 0.00 C ATOM 0 HA ILE A 28 -38.274 3.239 -10.535 1.00 0.00 H new ATOM 0 HB ILE A 28 -35.856 2.069 -11.972 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -36.379 0.687 -10.036 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -34.930 1.627 -9.741 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -34.635 3.856 -10.797 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -35.898 4.515 -11.863 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -36.166 4.443 -10.105 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -36.368 1.589 -7.762 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -36.234 3.244 -8.406 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -37.706 2.289 -8.705 1.00 0.00 H new ATOM 409 N ASN A 29 -38.294 4.635 -12.636 1.00 0.00 N ATOM 410 CA ASN A 29 -38.552 5.403 -13.849 1.00 0.00 C ATOM 411 C ASN A 29 -38.119 6.855 -13.676 1.00 0.00 C ATOM 412 O ASN A 29 -38.057 7.366 -12.557 1.00 0.00 O ATOM 413 CB ASN A 29 -40.038 5.341 -14.209 1.00 0.00 C ATOM 414 CG ASN A 29 -40.556 3.918 -14.287 1.00 0.00 C ATOM 415 OD1 ASN A 29 -40.554 3.303 -15.354 1.00 0.00 O ATOM 416 ND2 ASN A 29 -41.002 3.388 -13.155 1.00 0.00 N ATOM 0 H ASN A 29 -38.285 5.189 -11.780 1.00 0.00 H new ATOM 0 HA ASN A 29 -37.970 4.964 -14.659 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -40.612 5.893 -13.465 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -40.198 5.836 -15.167 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -41.362 2.434 -13.146 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -40.985 3.935 -12.294 1.00 0.00 H new ATOM 423 N ILE A 30 -37.822 7.515 -14.790 1.00 0.00 N ATOM 424 CA ILE A 30 -37.397 8.909 -14.761 1.00 0.00 C ATOM 425 C ILE A 30 -38.200 9.749 -15.748 1.00 0.00 C ATOM 426 O ILE A 30 -38.749 9.230 -16.721 1.00 0.00 O ATOM 427 CB ILE A 30 -35.898 9.047 -15.088 1.00 0.00 C ATOM 428 CG1 ILE A 30 -35.536 8.187 -16.300 1.00 0.00 C ATOM 429 CG2 ILE A 30 -35.055 8.655 -13.883 1.00 0.00 C ATOM 430 CD1 ILE A 30 -34.070 8.247 -16.668 1.00 0.00 C ATOM 0 H ILE A 30 -37.868 7.107 -15.724 1.00 0.00 H new ATOM 0 HA ILE A 30 -37.575 9.272 -13.749 1.00 0.00 H new ATOM 0 HB ILE A 30 -35.689 10.089 -15.330 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -35.809 7.152 -16.095 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -36.130 8.510 -17.155 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -33.998 8.758 -14.129 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -35.297 9.306 -13.043 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -35.266 7.620 -13.613 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -33.886 7.613 -17.536 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -33.796 9.275 -16.905 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -33.470 7.896 -15.829 1.00 0.00 H new ATOM 442 N THR A 31 -38.264 11.052 -15.493 1.00 0.00 N ATOM 443 CA THR A 31 -39.000 11.965 -16.359 1.00 0.00 C ATOM 444 C THR A 31 -38.176 13.209 -16.672 1.00 0.00 C ATOM 445 O THR A 31 -37.052 13.358 -16.193 1.00 0.00 O ATOM 446 CB THR A 31 -40.334 12.394 -15.719 1.00 0.00 C ATOM 447 OG1 THR A 31 -40.151 12.636 -14.320 1.00 0.00 O ATOM 448 CG2 THR A 31 -41.398 11.326 -15.920 1.00 0.00 C ATOM 0 H THR A 31 -37.815 11.499 -14.694 1.00 0.00 H new ATOM 0 HA THR A 31 -39.206 11.427 -17.284 1.00 0.00 H new ATOM 0 HB THR A 31 -40.667 13.311 -16.205 1.00 0.00 H new ATOM 0 HG1 THR A 31 -41.003 12.910 -13.921 1.00 0.00 H new ATOM 0 HG21 THR A 31 -42.331 11.651 -15.460 1.00 0.00 H new ATOM 0 HG22 THR A 31 -41.556 11.166 -16.987 1.00 0.00 H new ATOM 0 HG23 THR A 31 -41.071 10.395 -15.458 1.00 0.00 H new ATOM 456 N TYR A 32 -38.742 14.101 -17.477 1.00 0.00 N ATOM 457 CA TYR A 32 -38.059 15.332 -17.855 1.00 0.00 C ATOM 458 C TYR A 32 -37.838 16.228 -16.640 1.00 0.00 C ATOM 459 O TYR A 32 -37.008 17.136 -16.668 1.00 0.00 O ATOM 460 CB TYR A 32 -38.866 16.083 -18.916 1.00 0.00 C ATOM 461 CG TYR A 32 -38.456 15.755 -20.334 1.00 0.00 C ATOM 462 CD1 TYR A 32 -37.202 16.110 -20.815 1.00 0.00 C ATOM 463 CD2 TYR A 32 -39.322 15.089 -21.192 1.00 0.00 C ATOM 464 CE1 TYR A 32 -36.823 15.813 -22.110 1.00 0.00 C ATOM 465 CE2 TYR A 32 -38.951 14.787 -22.488 1.00 0.00 C ATOM 466 CZ TYR A 32 -37.701 15.152 -22.942 1.00 0.00 C ATOM 467 OH TYR A 32 -37.327 14.853 -24.232 1.00 0.00 O ATOM 0 H TYR A 32 -39.673 13.994 -17.881 1.00 0.00 H new ATOM 0 HA TYR A 32 -37.087 15.065 -18.269 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -39.923 15.849 -18.789 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -38.755 17.155 -18.753 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -36.511 16.627 -20.165 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -40.302 14.802 -20.840 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -35.845 16.097 -22.468 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -39.636 14.268 -23.142 1.00 0.00 H new ATOM 0 HH TYR A 32 -38.060 14.385 -24.685 1.00 0.00 H new ATOM 477 N ASP A 33 -38.586 15.963 -15.575 1.00 0.00 N ATOM 478 CA ASP A 33 -38.472 16.743 -14.348 1.00 0.00 C ATOM 479 C ASP A 33 -37.987 15.871 -13.193 1.00 0.00 C ATOM 480 O ASP A 33 -38.466 15.995 -12.066 1.00 0.00 O ATOM 481 CB ASP A 33 -39.818 17.378 -13.994 1.00 0.00 C ATOM 482 CG ASP A 33 -40.218 18.467 -14.970 1.00 0.00 C ATOM 483 OD1 ASP A 33 -40.284 18.181 -16.184 1.00 0.00 O ATOM 484 OD2 ASP A 33 -40.467 19.604 -14.519 1.00 0.00 O ATOM 0 H ASP A 33 -39.278 15.214 -15.536 1.00 0.00 H new ATOM 0 HA ASP A 33 -37.740 17.533 -14.516 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -40.588 16.607 -13.979 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -39.766 17.796 -12.989 1.00 0.00 H new ATOM 489 N SER A 34 -37.036 14.990 -13.483 1.00 0.00 N ATOM 490 CA SER A 34 -36.490 14.094 -12.470 1.00 0.00 C ATOM 491 C SER A 34 -35.177 14.637 -11.915 1.00 0.00 C ATOM 492 O SER A 34 -34.603 15.582 -12.457 1.00 0.00 O ATOM 493 CB SER A 34 -36.270 12.699 -13.058 1.00 0.00 C ATOM 494 OG SER A 34 -37.460 11.931 -13.008 1.00 0.00 O ATOM 0 H SER A 34 -36.627 14.877 -14.411 1.00 0.00 H new ATOM 0 HA SER A 34 -37.209 14.027 -11.654 1.00 0.00 H new ATOM 0 HB2 SER A 34 -35.932 12.785 -14.091 1.00 0.00 H new ATOM 0 HB3 SER A 34 -35.481 12.189 -12.506 1.00 0.00 H new ATOM 0 HG SER A 34 -37.307 11.126 -12.471 1.00 0.00 H new ATOM 500 N THR A 35 -34.705 14.032 -10.829 1.00 0.00 N ATOM 501 CA THR A 35 -33.461 14.454 -10.199 1.00 0.00 C ATOM 502 C THR A 35 -32.285 13.616 -10.687 1.00 0.00 C ATOM 503 O THR A 35 -32.444 12.478 -11.130 1.00 0.00 O ATOM 504 CB THR A 35 -33.546 14.354 -8.664 1.00 0.00 C ATOM 505 OG1 THR A 35 -33.180 13.036 -8.239 1.00 0.00 O ATOM 506 CG2 THR A 35 -34.951 14.678 -8.178 1.00 0.00 C ATOM 0 H THR A 35 -35.166 13.248 -10.368 1.00 0.00 H new ATOM 0 HA THR A 35 -33.303 15.495 -10.480 1.00 0.00 H new ATOM 0 HB THR A 35 -32.854 15.079 -8.235 1.00 0.00 H new ATOM 0 HG1 THR A 35 -33.235 12.980 -7.262 1.00 0.00 H new ATOM 0 HG21 THR A 35 -34.987 14.601 -7.091 1.00 0.00 H new ATOM 0 HG22 THR A 35 -35.215 15.692 -8.479 1.00 0.00 H new ATOM 0 HG23 THR A 35 -35.659 13.974 -8.615 1.00 0.00 H new ATOM 514 N PRO A 36 -31.074 14.188 -10.605 1.00 0.00 N ATOM 515 CA PRO A 36 -29.848 13.510 -11.033 1.00 0.00 C ATOM 516 C PRO A 36 -29.472 12.355 -10.111 1.00 0.00 C ATOM 517 O PRO A 36 -28.555 11.588 -10.405 1.00 0.00 O ATOM 518 CB PRO A 36 -28.790 14.614 -10.965 1.00 0.00 C ATOM 519 CG PRO A 36 -29.313 15.578 -9.958 1.00 0.00 C ATOM 520 CD PRO A 36 -30.811 15.541 -10.088 1.00 0.00 C ATOM 0 HA PRO A 36 -29.954 13.062 -12.021 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -27.821 14.215 -10.665 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -28.652 15.091 -11.935 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -29.002 15.298 -8.952 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -28.930 16.582 -10.143 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -31.302 15.707 -9.129 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -31.174 16.310 -10.770 1.00 0.00 H new ATOM 528 N GLU A 37 -30.187 12.237 -8.997 1.00 0.00 N ATOM 529 CA GLU A 37 -29.927 11.174 -8.032 1.00 0.00 C ATOM 530 C GLU A 37 -30.840 9.978 -8.281 1.00 0.00 C ATOM 531 O GLU A 37 -30.513 8.847 -7.920 1.00 0.00 O ATOM 532 CB GLU A 37 -30.123 11.691 -6.605 1.00 0.00 C ATOM 533 CG GLU A 37 -29.016 11.277 -5.650 1.00 0.00 C ATOM 534 CD GLU A 37 -28.960 12.147 -4.409 1.00 0.00 C ATOM 535 OE1 GLU A 37 -30.025 12.640 -3.982 1.00 0.00 O ATOM 536 OE2 GLU A 37 -27.852 12.333 -3.865 1.00 0.00 O ATOM 0 H GLU A 37 -30.950 12.863 -8.740 1.00 0.00 H new ATOM 0 HA GLU A 37 -28.893 10.852 -8.155 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -30.184 12.779 -6.627 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -31.076 11.326 -6.223 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -29.166 10.239 -5.355 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -28.058 11.326 -6.167 1.00 0.00 H new ATOM 543 N ASP A 38 -31.987 10.235 -8.900 1.00 0.00 N ATOM 544 CA ASP A 38 -32.949 9.180 -9.198 1.00 0.00 C ATOM 545 C ASP A 38 -32.552 8.425 -10.463 1.00 0.00 C ATOM 546 O ASP A 38 -32.877 7.249 -10.624 1.00 0.00 O ATOM 547 CB ASP A 38 -34.351 9.770 -9.360 1.00 0.00 C ATOM 548 CG ASP A 38 -35.166 9.684 -8.085 1.00 0.00 C ATOM 549 OD1 ASP A 38 -34.560 9.682 -6.992 1.00 0.00 O ATOM 550 OD2 ASP A 38 -36.409 9.619 -8.179 1.00 0.00 O ATOM 0 H ASP A 38 -32.273 11.165 -9.205 1.00 0.00 H new ATOM 0 HA ASP A 38 -32.953 8.479 -8.364 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -34.270 10.813 -9.666 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -34.874 9.243 -10.158 1.00 0.00 H new ATOM 555 N VAL A 39 -31.848 9.110 -11.359 1.00 0.00 N ATOM 556 CA VAL A 39 -31.406 8.504 -12.609 1.00 0.00 C ATOM 557 C VAL A 39 -30.346 7.437 -12.359 1.00 0.00 C ATOM 558 O VAL A 39 -30.234 6.468 -13.111 1.00 0.00 O ATOM 559 CB VAL A 39 -30.838 9.560 -13.575 1.00 0.00 C ATOM 560 CG1 VAL A 39 -30.313 8.900 -14.841 1.00 0.00 C ATOM 561 CG2 VAL A 39 -31.896 10.602 -13.907 1.00 0.00 C ATOM 0 H VAL A 39 -31.572 10.085 -11.242 1.00 0.00 H new ATOM 0 HA VAL A 39 -32.282 8.041 -13.063 1.00 0.00 H new ATOM 0 HB VAL A 39 -30.005 10.064 -13.085 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -29.916 9.663 -15.511 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -29.522 8.196 -14.583 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -31.125 8.368 -15.337 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -31.477 11.341 -14.591 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -32.751 10.116 -14.377 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -32.219 11.097 -12.991 1.00 0.00 H new ATOM 571 N LYS A 40 -29.569 7.621 -11.297 1.00 0.00 N ATOM 572 CA LYS A 40 -28.517 6.675 -10.945 1.00 0.00 C ATOM 573 C LYS A 40 -29.105 5.307 -10.612 1.00 0.00 C ATOM 574 O LYS A 40 -28.564 4.274 -11.006 1.00 0.00 O ATOM 575 CB LYS A 40 -27.710 7.198 -9.755 1.00 0.00 C ATOM 576 CG LYS A 40 -26.207 7.157 -9.974 1.00 0.00 C ATOM 577 CD LYS A 40 -25.498 8.238 -9.177 1.00 0.00 C ATOM 578 CE LYS A 40 -25.134 7.754 -7.782 1.00 0.00 C ATOM 579 NZ LYS A 40 -23.676 7.889 -7.511 1.00 0.00 N ATOM 0 H LYS A 40 -29.648 8.417 -10.665 1.00 0.00 H new ATOM 0 HA LYS A 40 -27.856 6.568 -11.805 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -28.010 8.225 -9.546 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -27.956 6.608 -8.872 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -25.823 6.179 -9.684 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -25.989 7.284 -11.035 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -24.595 8.546 -9.703 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -26.139 9.116 -9.103 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -25.695 8.324 -7.042 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -25.429 6.711 -7.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -23.468 7.549 -6.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -23.141 7.325 -8.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -23.399 8.888 -7.592 1.00 0.00 H new ATOM 593 N THR A 41 -30.219 5.308 -9.885 1.00 0.00 N ATOM 594 CA THR A 41 -30.880 4.068 -9.500 1.00 0.00 C ATOM 595 C THR A 41 -31.640 3.462 -10.674 1.00 0.00 C ATOM 596 O THR A 41 -31.810 2.245 -10.755 1.00 0.00 O ATOM 597 CB THR A 41 -31.859 4.292 -8.332 1.00 0.00 C ATOM 598 OG1 THR A 41 -31.155 4.806 -7.195 1.00 0.00 O ATOM 599 CG2 THR A 41 -32.560 2.996 -7.956 1.00 0.00 C ATOM 0 H THR A 41 -30.681 6.154 -9.552 1.00 0.00 H new ATOM 0 HA THR A 41 -30.097 3.379 -9.182 1.00 0.00 H new ATOM 0 HB THR A 41 -32.611 5.014 -8.651 1.00 0.00 H new ATOM 0 HG1 THR A 41 -31.784 4.947 -6.457 1.00 0.00 H new ATOM 0 HG21 THR A 41 -33.246 3.180 -7.129 1.00 0.00 H new ATOM 0 HG22 THR A 41 -33.118 2.622 -8.814 1.00 0.00 H new ATOM 0 HG23 THR A 41 -31.819 2.256 -7.655 1.00 0.00 H new ATOM 607 N TRP A 42 -32.094 4.317 -11.583 1.00 0.00 N ATOM 608 CA TRP A 42 -32.836 3.865 -12.755 1.00 0.00 C ATOM 609 C TRP A 42 -31.942 3.052 -13.685 1.00 0.00 C ATOM 610 O TRP A 42 -32.399 2.114 -14.339 1.00 0.00 O ATOM 611 CB TRP A 42 -33.421 5.061 -13.507 1.00 0.00 C ATOM 612 CG TRP A 42 -34.164 4.676 -14.750 1.00 0.00 C ATOM 613 CD1 TRP A 42 -35.443 4.204 -14.828 1.00 0.00 C ATOM 614 CD2 TRP A 42 -33.671 4.728 -16.094 1.00 0.00 C ATOM 615 NE1 TRP A 42 -35.775 3.960 -16.139 1.00 0.00 N ATOM 616 CE2 TRP A 42 -34.706 4.274 -16.935 1.00 0.00 C ATOM 617 CE3 TRP A 42 -32.458 5.116 -16.668 1.00 0.00 C ATOM 618 CZ2 TRP A 42 -34.561 4.197 -18.317 1.00 0.00 C ATOM 619 CZ3 TRP A 42 -32.315 5.039 -18.040 1.00 0.00 C ATOM 620 CH2 TRP A 42 -33.362 4.583 -18.853 1.00 0.00 C ATOM 0 H TRP A 42 -31.962 5.327 -11.531 1.00 0.00 H new ATOM 0 HA TRP A 42 -33.651 3.226 -12.414 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -34.094 5.604 -12.844 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -32.614 5.744 -13.772 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -36.097 4.046 -13.984 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -36.673 3.603 -16.466 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -31.646 5.470 -16.050 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -35.366 3.845 -18.945 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -31.381 5.335 -18.494 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -33.220 4.535 -19.923 1.00 0.00 H new ATOM 631 N LEU A 43 -30.665 3.417 -13.739 1.00 0.00 N ATOM 632 CA LEU A 43 -29.706 2.720 -14.589 1.00 0.00 C ATOM 633 C LEU A 43 -29.283 1.396 -13.962 1.00 0.00 C ATOM 634 O LEU A 43 -29.185 0.378 -14.646 1.00 0.00 O ATOM 635 CB LEU A 43 -28.478 3.599 -14.832 1.00 0.00 C ATOM 636 CG LEU A 43 -28.753 5.004 -15.368 1.00 0.00 C ATOM 637 CD1 LEU A 43 -27.846 6.021 -14.691 1.00 0.00 C ATOM 638 CD2 LEU A 43 -28.568 5.044 -16.878 1.00 0.00 C ATOM 0 H LEU A 43 -30.270 4.191 -13.205 1.00 0.00 H new ATOM 0 HA LEU A 43 -30.189 2.510 -15.543 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -27.930 3.691 -13.894 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -27.822 3.086 -15.535 1.00 0.00 H new ATOM 0 HG LEU A 43 -29.787 5.263 -15.141 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -28.056 7.015 -15.085 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -28.027 6.011 -13.616 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -26.804 5.766 -14.886 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -28.768 6.052 -17.242 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -27.544 4.765 -17.127 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -29.259 4.344 -17.348 1.00 0.00 H new ATOM 650 N GLN A 44 -29.035 1.419 -12.656 1.00 0.00 N ATOM 651 CA GLN A 44 -28.623 0.219 -11.936 1.00 0.00 C ATOM 652 C GLN A 44 -29.714 -0.846 -11.986 1.00 0.00 C ATOM 653 O GLN A 44 -29.441 -2.015 -12.261 1.00 0.00 O ATOM 654 CB GLN A 44 -28.292 0.560 -10.482 1.00 0.00 C ATOM 655 CG GLN A 44 -26.937 1.225 -10.307 1.00 0.00 C ATOM 656 CD GLN A 44 -25.879 0.268 -9.793 1.00 0.00 C ATOM 657 OE1 GLN A 44 -26.075 -0.948 -9.789 1.00 0.00 O ATOM 658 NE2 GLN A 44 -24.749 0.813 -9.357 1.00 0.00 N ATOM 0 H GLN A 44 -29.112 2.254 -12.075 1.00 0.00 H new ATOM 0 HA GLN A 44 -27.731 -0.178 -12.420 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -29.065 1.219 -10.087 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -28.319 -0.354 -9.888 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -26.614 1.639 -11.262 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -27.033 2.060 -9.614 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -24.630 1.826 -9.379 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -24.001 0.219 -9.000 1.00 0.00 H new ATOM 667 N SER A 45 -30.949 -0.435 -11.717 1.00 0.00 N ATOM 668 CA SER A 45 -32.080 -1.355 -11.727 1.00 0.00 C ATOM 669 C SER A 45 -32.125 -2.146 -13.031 1.00 0.00 C ATOM 670 O SER A 45 -32.234 -3.373 -13.023 1.00 0.00 O ATOM 671 CB SER A 45 -33.390 -0.588 -11.538 1.00 0.00 C ATOM 672 OG SER A 45 -34.495 -1.344 -12.000 1.00 0.00 O ATOM 0 H SER A 45 -31.192 0.529 -11.489 1.00 0.00 H new ATOM 0 HA SER A 45 -31.954 -2.055 -10.901 1.00 0.00 H new ATOM 0 HB2 SER A 45 -33.525 -0.348 -10.483 1.00 0.00 H new ATOM 0 HB3 SER A 45 -33.342 0.358 -12.077 1.00 0.00 H new ATOM 0 HG SER A 45 -35.320 -0.832 -11.867 1.00 0.00 H new ATOM 678 N LYS A 46 -32.040 -1.436 -14.150 1.00 0.00 N ATOM 679 CA LYS A 46 -32.069 -2.069 -15.463 1.00 0.00 C ATOM 680 C LYS A 46 -30.947 -3.094 -15.598 1.00 0.00 C ATOM 681 O LYS A 46 -31.078 -4.080 -16.322 1.00 0.00 O ATOM 682 CB LYS A 46 -31.946 -1.014 -16.564 1.00 0.00 C ATOM 683 CG LYS A 46 -33.124 -0.057 -16.624 1.00 0.00 C ATOM 684 CD LYS A 46 -34.418 -0.785 -16.949 1.00 0.00 C ATOM 685 CE LYS A 46 -35.590 0.179 -17.049 1.00 0.00 C ATOM 686 NZ LYS A 46 -36.884 -0.486 -16.731 1.00 0.00 N ATOM 0 H LYS A 46 -31.950 -0.420 -14.174 1.00 0.00 H new ATOM 0 HA LYS A 46 -33.023 -2.585 -15.569 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -31.032 -0.442 -16.407 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -31.847 -1.516 -17.527 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -33.225 0.457 -15.668 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -32.936 0.707 -17.379 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -34.307 -1.324 -17.890 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -34.622 -1.528 -16.178 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -35.433 1.014 -16.366 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -35.633 0.595 -18.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -37.658 0.204 -16.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -37.047 -1.267 -17.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -36.853 -0.861 -15.761 1.00 0.00 H new ATOM 700 N GLY A 47 -29.844 -2.853 -14.895 1.00 0.00 N ATOM 701 CA GLY A 47 -28.716 -3.764 -14.950 1.00 0.00 C ATOM 702 C GLY A 47 -27.560 -3.207 -15.756 1.00 0.00 C ATOM 703 O GLY A 47 -26.757 -3.961 -16.306 1.00 0.00 O ATOM 0 H GLY A 47 -29.712 -2.043 -14.289 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -28.378 -3.980 -13.937 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -29.037 -4.709 -15.387 1.00 0.00 H new ATOM 707 N PHE A 48 -27.474 -1.883 -15.828 1.00 0.00 N ATOM 708 CA PHE A 48 -26.408 -1.225 -16.575 1.00 0.00 C ATOM 709 C PHE A 48 -25.118 -1.187 -15.762 1.00 0.00 C ATOM 710 O PHE A 48 -25.145 -1.051 -14.540 1.00 0.00 O ATOM 711 CB PHE A 48 -26.826 0.197 -16.956 1.00 0.00 C ATOM 712 CG PHE A 48 -27.783 0.251 -18.113 1.00 0.00 C ATOM 713 CD1 PHE A 48 -27.339 0.031 -19.407 1.00 0.00 C ATOM 714 CD2 PHE A 48 -29.126 0.521 -17.906 1.00 0.00 C ATOM 715 CE1 PHE A 48 -28.216 0.080 -20.473 1.00 0.00 C ATOM 716 CE2 PHE A 48 -30.008 0.571 -18.969 1.00 0.00 C ATOM 717 CZ PHE A 48 -29.553 0.351 -20.254 1.00 0.00 C ATOM 0 H PHE A 48 -28.130 -1.244 -15.378 1.00 0.00 H new ATOM 0 HA PHE A 48 -26.227 -1.799 -17.484 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -27.286 0.676 -16.092 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -25.936 0.775 -17.204 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -26.295 -0.181 -19.584 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -29.488 0.694 -16.903 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -27.857 -0.093 -21.477 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -31.053 0.782 -18.795 1.00 0.00 H new ATOM 0 HZ PHE A 48 -30.241 0.391 -21.086 1.00 0.00 H new ATOM 727 N ASN A 49 -23.988 -1.310 -16.451 1.00 0.00 N ATOM 728 CA ASN A 49 -22.686 -1.292 -15.794 1.00 0.00 C ATOM 729 C ASN A 49 -22.544 -0.062 -14.902 1.00 0.00 C ATOM 730 O ASN A 49 -23.198 0.962 -15.105 1.00 0.00 O ATOM 731 CB ASN A 49 -21.565 -1.312 -16.835 1.00 0.00 C ATOM 732 CG ASN A 49 -21.478 -0.015 -17.616 1.00 0.00 C ATOM 733 OD1 ASN A 49 -22.382 0.818 -17.561 1.00 0.00 O ATOM 734 ND2 ASN A 49 -20.385 0.161 -18.350 1.00 0.00 N ATOM 0 H ASN A 49 -23.948 -1.423 -17.464 1.00 0.00 H new ATOM 0 HA ASN A 49 -22.610 -2.183 -15.171 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -20.613 -1.497 -16.337 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -21.729 -2.139 -17.526 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -20.270 1.014 -18.898 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -19.660 -0.557 -18.366 1.00 0.00 H new ATOM 741 N PRO A 50 -21.669 -0.162 -13.891 1.00 0.00 N ATOM 742 CA PRO A 50 -21.419 0.933 -12.949 1.00 0.00 C ATOM 743 C PRO A 50 -20.685 2.101 -13.599 1.00 0.00 C ATOM 744 O PRO A 50 -20.808 3.246 -13.162 1.00 0.00 O ATOM 745 CB PRO A 50 -20.545 0.284 -11.873 1.00 0.00 C ATOM 746 CG PRO A 50 -19.874 -0.851 -12.566 1.00 0.00 C ATOM 747 CD PRO A 50 -20.855 -1.351 -13.589 1.00 0.00 C ATOM 0 HA PRO A 50 -22.346 1.359 -12.564 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -19.817 0.991 -11.474 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -21.145 -0.064 -11.032 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -18.948 -0.526 -13.040 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -19.611 -1.639 -11.860 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -20.351 -1.729 -14.478 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -21.464 -2.166 -13.197 1.00 0.00 H new ATOM 755 N VAL A 51 -19.920 1.805 -14.645 1.00 0.00 N ATOM 756 CA VAL A 51 -19.166 2.830 -15.356 1.00 0.00 C ATOM 757 C VAL A 51 -20.098 3.855 -15.992 1.00 0.00 C ATOM 758 O VAL A 51 -19.701 4.989 -16.263 1.00 0.00 O ATOM 759 CB VAL A 51 -18.275 2.214 -16.450 1.00 0.00 C ATOM 760 CG1 VAL A 51 -17.511 3.301 -17.192 1.00 0.00 C ATOM 761 CG2 VAL A 51 -17.319 1.196 -15.848 1.00 0.00 C ATOM 0 H VAL A 51 -19.806 0.863 -15.019 1.00 0.00 H new ATOM 0 HA VAL A 51 -18.533 3.326 -14.620 1.00 0.00 H new ATOM 0 HB VAL A 51 -18.914 1.699 -17.167 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -16.887 2.846 -17.961 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -18.217 3.989 -17.657 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -16.881 3.847 -16.490 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -16.697 0.771 -16.636 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -16.685 1.685 -15.109 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -17.889 0.401 -15.367 1.00 0.00 H new ATOM 771 N THR A 52 -21.342 3.450 -16.228 1.00 0.00 N ATOM 772 CA THR A 52 -22.332 4.332 -16.833 1.00 0.00 C ATOM 773 C THR A 52 -23.148 5.055 -15.767 1.00 0.00 C ATOM 774 O THR A 52 -23.406 6.254 -15.875 1.00 0.00 O ATOM 775 CB THR A 52 -23.288 3.554 -17.756 1.00 0.00 C ATOM 776 OG1 THR A 52 -22.566 3.021 -18.872 1.00 0.00 O ATOM 777 CG2 THR A 52 -24.409 4.453 -18.255 1.00 0.00 C ATOM 0 H THR A 52 -21.688 2.516 -16.009 1.00 0.00 H new ATOM 0 HA THR A 52 -21.783 5.064 -17.425 1.00 0.00 H new ATOM 0 HB THR A 52 -23.726 2.737 -17.183 1.00 0.00 H new ATOM 0 HG1 THR A 52 -22.481 2.050 -18.773 1.00 0.00 H new ATOM 0 HG21 THR A 52 -25.072 3.882 -18.905 1.00 0.00 H new ATOM 0 HG22 THR A 52 -24.975 4.835 -17.405 1.00 0.00 H new ATOM 0 HG23 THR A 52 -23.985 5.288 -18.813 1.00 0.00 H new ATOM 785 N VAL A 53 -23.553 4.318 -14.738 1.00 0.00 N ATOM 786 CA VAL A 53 -24.339 4.890 -13.651 1.00 0.00 C ATOM 787 C VAL A 53 -23.552 5.964 -12.909 1.00 0.00 C ATOM 788 O VAL A 53 -24.130 6.827 -12.250 1.00 0.00 O ATOM 789 CB VAL A 53 -24.781 3.807 -12.648 1.00 0.00 C ATOM 790 CG1 VAL A 53 -25.638 4.416 -11.548 1.00 0.00 C ATOM 791 CG2 VAL A 53 -25.529 2.692 -13.363 1.00 0.00 C ATOM 0 H VAL A 53 -23.350 3.324 -14.634 1.00 0.00 H new ATOM 0 HA VAL A 53 -25.223 5.339 -14.103 1.00 0.00 H new ATOM 0 HB VAL A 53 -23.891 3.378 -12.187 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -25.941 3.636 -10.849 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -25.064 5.176 -11.018 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -26.524 4.873 -11.988 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -25.834 1.936 -12.639 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -26.412 3.102 -13.853 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -24.878 2.238 -14.110 1.00 0.00 H new ATOM 801 N ASN A 54 -22.229 5.904 -13.022 1.00 0.00 N ATOM 802 CA ASN A 54 -21.361 6.872 -12.362 1.00 0.00 C ATOM 803 C ASN A 54 -21.247 8.151 -13.186 1.00 0.00 C ATOM 804 O ASN A 54 -21.243 9.255 -12.641 1.00 0.00 O ATOM 805 CB ASN A 54 -19.972 6.272 -12.135 1.00 0.00 C ATOM 806 CG ASN A 54 -19.596 6.223 -10.667 1.00 0.00 C ATOM 807 OD1 ASN A 54 -19.134 7.213 -10.099 1.00 0.00 O ATOM 808 ND2 ASN A 54 -19.792 5.067 -10.044 1.00 0.00 N ATOM 0 H ASN A 54 -21.735 5.195 -13.564 1.00 0.00 H new ATOM 0 HA ASN A 54 -21.803 7.121 -11.397 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -19.943 5.264 -12.549 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -19.232 6.861 -12.677 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -19.557 4.974 -9.056 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -20.177 4.272 -10.554 1.00 0.00 H new ATOM 815 N SER A 55 -21.153 7.994 -14.502 1.00 0.00 N ATOM 816 CA SER A 55 -21.036 9.135 -15.402 1.00 0.00 C ATOM 817 C SER A 55 -22.388 9.814 -15.599 1.00 0.00 C ATOM 818 O SER A 55 -22.492 11.041 -15.561 1.00 0.00 O ATOM 819 CB SER A 55 -20.474 8.690 -16.754 1.00 0.00 C ATOM 820 OG SER A 55 -19.094 8.996 -16.859 1.00 0.00 O ATOM 0 H SER A 55 -21.156 7.087 -14.969 1.00 0.00 H new ATOM 0 HA SER A 55 -20.351 9.853 -14.950 1.00 0.00 H new ATOM 0 HB2 SER A 55 -20.622 7.617 -16.877 1.00 0.00 H new ATOM 0 HB3 SER A 55 -21.021 9.182 -17.558 1.00 0.00 H new ATOM 0 HG SER A 55 -18.759 8.700 -17.731 1.00 0.00 H new ATOM 826 N LEU A 56 -23.422 9.007 -15.810 1.00 0.00 N ATOM 827 CA LEU A 56 -24.770 9.528 -16.013 1.00 0.00 C ATOM 828 C LEU A 56 -25.546 9.556 -14.700 1.00 0.00 C ATOM 829 O LEU A 56 -26.776 9.592 -14.695 1.00 0.00 O ATOM 830 CB LEU A 56 -25.517 8.677 -17.042 1.00 0.00 C ATOM 831 CG LEU A 56 -24.772 8.395 -18.347 1.00 0.00 C ATOM 832 CD1 LEU A 56 -25.553 7.413 -19.206 1.00 0.00 C ATOM 833 CD2 LEU A 56 -24.520 9.689 -19.108 1.00 0.00 C ATOM 0 H LEU A 56 -23.353 7.990 -15.845 1.00 0.00 H new ATOM 0 HA LEU A 56 -24.686 10.549 -16.386 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -25.772 7.724 -16.579 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -26.456 9.175 -17.283 1.00 0.00 H new ATOM 0 HG LEU A 56 -23.809 7.947 -18.103 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -25.007 7.224 -20.131 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -25.681 6.477 -18.663 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -26.531 7.833 -19.441 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -23.989 9.469 -20.034 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -25.472 10.166 -19.340 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -23.918 10.360 -18.495 1.00 0.00 H new ATOM 845 N GLY A 57 -24.818 9.542 -13.588 1.00 0.00 N ATOM 846 CA GLY A 57 -25.455 9.569 -12.284 1.00 0.00 C ATOM 847 C GLY A 57 -25.439 10.950 -11.659 1.00 0.00 C ATOM 848 O GLY A 57 -25.782 11.113 -10.488 1.00 0.00 O ATOM 0 H GLY A 57 -23.799 9.512 -13.567 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -26.486 9.229 -12.380 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -24.948 8.868 -11.621 1.00 0.00 H new ATOM 852 N VAL A 58 -25.038 11.947 -12.441 1.00 0.00 N ATOM 853 CA VAL A 58 -24.977 13.321 -11.957 1.00 0.00 C ATOM 854 C VAL A 58 -25.938 14.218 -12.730 1.00 0.00 C ATOM 855 O VAL A 58 -26.295 15.304 -12.272 1.00 0.00 O ATOM 856 CB VAL A 58 -23.552 13.894 -12.071 1.00 0.00 C ATOM 857 CG1 VAL A 58 -22.636 13.255 -11.039 1.00 0.00 C ATOM 858 CG2 VAL A 58 -23.008 13.692 -13.478 1.00 0.00 C ATOM 0 H VAL A 58 -24.751 11.829 -13.412 1.00 0.00 H new ATOM 0 HA VAL A 58 -25.268 13.300 -10.907 1.00 0.00 H new ATOM 0 HB VAL A 58 -23.592 14.965 -11.872 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -21.633 13.672 -11.135 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -23.019 13.456 -10.038 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -22.598 12.178 -11.203 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -22.000 14.103 -13.541 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -22.981 12.627 -13.708 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -23.653 14.202 -14.194 1.00 0.00 H new ATOM 868 N LEU A 59 -26.353 13.758 -13.905 1.00 0.00 N ATOM 869 CA LEU A 59 -27.274 14.518 -14.743 1.00 0.00 C ATOM 870 C LEU A 59 -28.722 14.179 -14.406 1.00 0.00 C ATOM 871 O LEU A 59 -29.069 13.015 -14.211 1.00 0.00 O ATOM 872 CB LEU A 59 -27.002 14.235 -16.221 1.00 0.00 C ATOM 873 CG LEU A 59 -25.682 14.774 -16.776 1.00 0.00 C ATOM 874 CD1 LEU A 59 -25.565 14.470 -18.262 1.00 0.00 C ATOM 875 CD2 LEU A 59 -25.570 16.270 -16.525 1.00 0.00 C ATOM 0 H LEU A 59 -26.066 12.862 -14.299 1.00 0.00 H new ATOM 0 HA LEU A 59 -27.114 15.578 -14.548 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -27.024 13.156 -16.374 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -27.819 14.656 -16.807 1.00 0.00 H new ATOM 0 HG LEU A 59 -24.861 14.277 -16.259 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -24.620 14.861 -18.640 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -25.600 13.392 -18.417 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -26.391 14.940 -18.796 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -24.625 16.637 -16.926 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -26.396 16.784 -17.016 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -25.608 16.463 -15.453 1.00 0.00 H new ATOM 887 N ASN A 60 -29.565 15.205 -14.343 1.00 0.00 N ATOM 888 CA ASN A 60 -30.977 15.016 -14.032 1.00 0.00 C ATOM 889 C ASN A 60 -31.712 14.378 -15.207 1.00 0.00 C ATOM 890 O ASN A 60 -31.203 14.342 -16.326 1.00 0.00 O ATOM 891 CB ASN A 60 -31.627 16.355 -13.676 1.00 0.00 C ATOM 892 CG ASN A 60 -31.392 17.411 -14.739 1.00 0.00 C ATOM 893 OD1 ASN A 60 -32.010 17.384 -15.804 1.00 0.00 O ATOM 894 ND2 ASN A 60 -30.496 18.349 -14.453 1.00 0.00 N ATOM 0 H ASN A 60 -29.295 16.175 -14.503 1.00 0.00 H new ATOM 0 HA ASN A 60 -31.048 14.346 -13.175 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -32.699 16.211 -13.541 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -31.230 16.707 -12.724 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -30.296 19.086 -15.129 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -30.008 18.332 -13.558 1.00 0.00 H new ATOM 901 N GLY A 61 -32.915 13.875 -14.943 1.00 0.00 N ATOM 902 CA GLY A 61 -33.701 13.246 -15.988 1.00 0.00 C ATOM 903 C GLY A 61 -33.834 14.119 -17.220 1.00 0.00 C ATOM 904 O GLY A 61 -33.812 13.624 -18.346 1.00 0.00 O ATOM 0 H GLY A 61 -33.358 13.892 -14.025 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -33.238 12.299 -16.266 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -34.694 13.014 -15.602 1.00 0.00 H new ATOM 908 N ALA A 62 -33.974 15.423 -17.006 1.00 0.00 N ATOM 909 CA ALA A 62 -34.111 16.368 -18.107 1.00 0.00 C ATOM 910 C ALA A 62 -32.885 16.335 -19.014 1.00 0.00 C ATOM 911 O ALA A 62 -33.001 16.119 -20.220 1.00 0.00 O ATOM 912 CB ALA A 62 -34.337 17.774 -17.572 1.00 0.00 C ATOM 0 H ALA A 62 -33.996 15.849 -16.080 1.00 0.00 H new ATOM 0 HA ALA A 62 -34.977 16.074 -18.700 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -34.437 18.469 -18.406 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -35.247 17.793 -16.972 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -33.489 18.069 -16.954 1.00 0.00 H new ATOM 918 N GLN A 63 -31.714 16.553 -18.426 1.00 0.00 N ATOM 919 CA GLN A 63 -30.467 16.549 -19.182 1.00 0.00 C ATOM 920 C GLN A 63 -30.244 15.200 -19.857 1.00 0.00 C ATOM 921 O GLN A 63 -29.933 15.133 -21.047 1.00 0.00 O ATOM 922 CB GLN A 63 -29.288 16.875 -18.264 1.00 0.00 C ATOM 923 CG GLN A 63 -29.369 18.257 -17.636 1.00 0.00 C ATOM 924 CD GLN A 63 -28.381 19.233 -18.243 1.00 0.00 C ATOM 925 OE1 GLN A 63 -27.639 19.908 -17.528 1.00 0.00 O ATOM 926 NE2 GLN A 63 -28.365 19.313 -19.568 1.00 0.00 N ATOM 0 H GLN A 63 -31.602 16.735 -17.429 1.00 0.00 H new ATOM 0 HA GLN A 63 -30.538 17.314 -19.955 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -29.238 16.128 -17.472 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -28.362 16.798 -18.834 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -30.380 18.647 -17.756 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -29.183 18.177 -16.565 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -28.997 18.735 -20.121 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -27.720 19.952 -20.033 1.00 0.00 H new ATOM 935 N LEU A 64 -30.404 14.127 -19.090 1.00 0.00 N ATOM 936 CA LEU A 64 -30.219 12.778 -19.614 1.00 0.00 C ATOM 937 C LEU A 64 -31.156 12.517 -20.789 1.00 0.00 C ATOM 938 O LEU A 64 -30.789 11.844 -21.752 1.00 0.00 O ATOM 939 CB LEU A 64 -30.463 11.744 -18.513 1.00 0.00 C ATOM 940 CG LEU A 64 -30.413 10.279 -18.946 1.00 0.00 C ATOM 941 CD1 LEU A 64 -29.473 9.489 -18.048 1.00 0.00 C ATOM 942 CD2 LEU A 64 -31.807 9.669 -18.928 1.00 0.00 C ATOM 0 H LEU A 64 -30.661 14.165 -18.104 1.00 0.00 H new ATOM 0 HA LEU A 64 -29.191 12.689 -19.966 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -29.721 11.896 -17.729 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -31.440 11.938 -18.070 1.00 0.00 H new ATOM 0 HG LEU A 64 -30.032 10.235 -19.966 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -29.450 8.448 -18.371 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -28.470 9.911 -18.111 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -29.825 9.541 -17.018 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -31.752 8.626 -19.239 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -32.216 9.726 -17.919 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -32.453 10.218 -19.613 1.00 0.00 H new ATOM 954 N PHE A 65 -32.368 13.056 -20.704 1.00 0.00 N ATOM 955 CA PHE A 65 -33.358 12.883 -21.761 1.00 0.00 C ATOM 956 C PHE A 65 -32.931 13.614 -23.030 1.00 0.00 C ATOM 957 O PHE A 65 -33.383 13.289 -24.128 1.00 0.00 O ATOM 958 CB PHE A 65 -34.724 13.395 -21.298 1.00 0.00 C ATOM 959 CG PHE A 65 -35.528 12.368 -20.554 1.00 0.00 C ATOM 960 CD1 PHE A 65 -34.899 11.380 -19.813 1.00 0.00 C ATOM 961 CD2 PHE A 65 -36.913 12.390 -20.595 1.00 0.00 C ATOM 962 CE1 PHE A 65 -35.636 10.434 -19.126 1.00 0.00 C ATOM 963 CE2 PHE A 65 -37.655 11.446 -19.910 1.00 0.00 C ATOM 964 CZ PHE A 65 -37.016 10.466 -19.176 1.00 0.00 C ATOM 0 H PHE A 65 -32.688 13.616 -19.914 1.00 0.00 H new ATOM 0 HA PHE A 65 -33.434 11.819 -21.984 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -34.579 14.265 -20.658 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -35.291 13.729 -22.167 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -33.820 11.349 -19.772 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -37.418 13.153 -21.168 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -35.133 9.671 -18.551 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -38.734 11.475 -19.949 1.00 0.00 H new ATOM 0 HZ PHE A 65 -37.594 9.726 -18.642 1.00 0.00 H new ATOM 974 N SER A 66 -32.059 14.605 -22.871 1.00 0.00 N ATOM 975 CA SER A 66 -31.574 15.386 -24.003 1.00 0.00 C ATOM 976 C SER A 66 -30.477 14.635 -24.751 1.00 0.00 C ATOM 977 O SER A 66 -30.301 14.808 -25.958 1.00 0.00 O ATOM 978 CB SER A 66 -31.048 16.741 -23.527 1.00 0.00 C ATOM 979 OG SER A 66 -31.432 17.777 -24.413 1.00 0.00 O ATOM 0 H SER A 66 -31.674 14.886 -21.969 1.00 0.00 H new ATOM 0 HA SER A 66 -32.409 15.548 -24.685 1.00 0.00 H new ATOM 0 HB2 SER A 66 -31.430 16.952 -22.528 1.00 0.00 H new ATOM 0 HB3 SER A 66 -29.961 16.707 -23.452 1.00 0.00 H new ATOM 0 HG SER A 66 -31.085 18.633 -24.085 1.00 0.00 H new ATOM 985 N LEU A 67 -29.740 13.800 -24.026 1.00 0.00 N ATOM 986 CA LEU A 67 -28.659 13.022 -24.619 1.00 0.00 C ATOM 987 C LEU A 67 -29.202 12.013 -25.626 1.00 0.00 C ATOM 988 O LEU A 67 -30.265 11.428 -25.421 1.00 0.00 O ATOM 989 CB LEU A 67 -27.868 12.296 -23.529 1.00 0.00 C ATOM 990 CG LEU A 67 -27.258 13.181 -22.441 1.00 0.00 C ATOM 991 CD1 LEU A 67 -26.685 12.328 -21.319 1.00 0.00 C ATOM 992 CD2 LEU A 67 -26.185 14.085 -23.028 1.00 0.00 C ATOM 0 H LEU A 67 -29.872 13.645 -23.027 1.00 0.00 H new ATOM 0 HA LEU A 67 -27.996 13.710 -25.143 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -28.527 11.570 -23.052 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -27.065 11.733 -24.005 1.00 0.00 H new ATOM 0 HG LEU A 67 -28.046 13.809 -22.026 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -26.255 12.974 -20.554 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -27.479 11.724 -20.880 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -25.910 11.674 -21.719 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -25.762 14.707 -22.239 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -25.397 13.475 -23.470 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -26.625 14.721 -23.796 1.00 0.00 H new ATOM 1004 N ASN A 68 -28.464 11.812 -26.713 1.00 0.00 N ATOM 1005 CA ASN A 68 -28.872 10.872 -27.751 1.00 0.00 C ATOM 1006 C ASN A 68 -27.943 9.663 -27.784 1.00 0.00 C ATOM 1007 O ASN A 68 -27.004 9.564 -26.993 1.00 0.00 O ATOM 1008 CB ASN A 68 -28.880 11.561 -29.117 1.00 0.00 C ATOM 1009 CG ASN A 68 -27.794 12.612 -29.241 1.00 0.00 C ATOM 1010 OD1 ASN A 68 -27.877 13.682 -28.636 1.00 0.00 O ATOM 1011 ND2 ASN A 68 -26.767 12.312 -30.028 1.00 0.00 N ATOM 0 H ASN A 68 -27.581 12.287 -26.898 1.00 0.00 H new ATOM 0 HA ASN A 68 -29.880 10.527 -27.520 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -28.749 10.813 -29.899 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -29.852 12.026 -29.281 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -26.006 12.980 -30.150 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -26.739 11.414 -30.510 1.00 0.00 H new ATOM 1018 N LYS A 69 -28.210 8.743 -28.705 1.00 0.00 N ATOM 1019 CA LYS A 69 -27.399 7.540 -28.845 1.00 0.00 C ATOM 1020 C LYS A 69 -25.927 7.895 -29.028 1.00 0.00 C ATOM 1021 O LYS A 69 -25.042 7.107 -28.694 1.00 0.00 O ATOM 1022 CB LYS A 69 -27.885 6.707 -30.033 1.00 0.00 C ATOM 1023 CG LYS A 69 -27.488 5.243 -29.952 1.00 0.00 C ATOM 1024 CD LYS A 69 -27.700 4.534 -31.279 1.00 0.00 C ATOM 1025 CE LYS A 69 -27.423 3.043 -31.164 1.00 0.00 C ATOM 1026 NZ LYS A 69 -27.931 2.292 -32.346 1.00 0.00 N ATOM 0 H LYS A 69 -28.984 8.808 -29.367 1.00 0.00 H new ATOM 0 HA LYS A 69 -27.503 6.954 -27.932 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -28.971 6.777 -30.095 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -27.485 7.133 -30.953 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -26.441 5.165 -29.660 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -28.073 4.749 -29.177 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -28.725 4.690 -31.617 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -27.046 4.970 -32.034 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -26.350 2.880 -31.064 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -27.891 2.655 -30.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -27.723 1.280 -32.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -28.959 2.427 -32.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -27.466 2.644 -33.207 1.00 0.00 H new ATOM 1040 N ASP A 70 -25.672 9.086 -29.560 1.00 0.00 N ATOM 1041 CA ASP A 70 -24.306 9.546 -29.785 1.00 0.00 C ATOM 1042 C ASP A 70 -23.701 10.101 -28.500 1.00 0.00 C ATOM 1043 O ASP A 70 -22.680 9.608 -28.021 1.00 0.00 O ATOM 1044 CB ASP A 70 -24.280 10.615 -30.879 1.00 0.00 C ATOM 1045 CG ASP A 70 -23.216 10.346 -31.925 1.00 0.00 C ATOM 1046 OD1 ASP A 70 -22.167 9.769 -31.570 1.00 0.00 O ATOM 1047 OD2 ASP A 70 -23.431 10.714 -33.099 1.00 0.00 O ATOM 0 H ASP A 70 -26.393 9.750 -29.843 1.00 0.00 H new ATOM 0 HA ASP A 70 -23.709 8.693 -30.107 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -25.256 10.661 -31.361 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -24.102 11.590 -30.426 1.00 0.00 H new ATOM 1052 N GLU A 71 -24.337 11.129 -27.948 1.00 0.00 N ATOM 1053 CA GLU A 71 -23.859 11.752 -26.719 1.00 0.00 C ATOM 1054 C GLU A 71 -23.654 10.709 -25.624 1.00 0.00 C ATOM 1055 O GLU A 71 -22.655 10.735 -24.905 1.00 0.00 O ATOM 1056 CB GLU A 71 -24.847 12.819 -26.244 1.00 0.00 C ATOM 1057 CG GLU A 71 -25.005 13.978 -27.213 1.00 0.00 C ATOM 1058 CD GLU A 71 -24.301 15.235 -26.740 1.00 0.00 C ATOM 1059 OE1 GLU A 71 -24.728 15.802 -25.712 1.00 0.00 O ATOM 1060 OE2 GLU A 71 -23.324 15.652 -27.396 1.00 0.00 O ATOM 0 H GLU A 71 -25.184 11.548 -28.332 1.00 0.00 H new ATOM 0 HA GLU A 71 -22.900 12.224 -26.931 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -25.820 12.355 -26.084 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -24.516 13.205 -25.280 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -24.609 13.689 -28.187 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -26.065 14.190 -27.350 1.00 0.00 H new ATOM 1067 N LEU A 72 -24.608 9.792 -25.504 1.00 0.00 N ATOM 1068 CA LEU A 72 -24.534 8.739 -24.497 1.00 0.00 C ATOM 1069 C LEU A 72 -23.421 7.750 -24.824 1.00 0.00 C ATOM 1070 O LEU A 72 -22.772 7.212 -23.926 1.00 0.00 O ATOM 1071 CB LEU A 72 -25.873 8.004 -24.400 1.00 0.00 C ATOM 1072 CG LEU A 72 -26.945 8.674 -23.539 1.00 0.00 C ATOM 1073 CD1 LEU A 72 -28.303 8.590 -24.219 1.00 0.00 C ATOM 1074 CD2 LEU A 72 -26.997 8.035 -22.159 1.00 0.00 C ATOM 0 H LEU A 72 -25.441 9.756 -26.091 1.00 0.00 H new ATOM 0 HA LEU A 72 -24.311 9.204 -23.537 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -26.270 7.879 -25.407 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -25.689 7.005 -24.004 1.00 0.00 H new ATOM 0 HG LEU A 72 -26.685 9.726 -23.420 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -29.054 9.072 -23.593 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -28.258 9.094 -25.184 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -28.571 7.544 -24.368 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -27.765 8.524 -21.560 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -27.234 6.976 -22.257 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -26.029 8.147 -21.670 1.00 0.00 H new ATOM 1086 N ARG A 73 -23.203 7.517 -26.114 1.00 0.00 N ATOM 1087 CA ARG A 73 -22.167 6.593 -26.559 1.00 0.00 C ATOM 1088 C ARG A 73 -20.778 7.172 -26.307 1.00 0.00 C ATOM 1089 O ARG A 73 -19.797 6.436 -26.197 1.00 0.00 O ATOM 1090 CB ARG A 73 -22.339 6.280 -28.047 1.00 0.00 C ATOM 1091 CG ARG A 73 -21.200 5.460 -28.632 1.00 0.00 C ATOM 1092 CD ARG A 73 -21.693 4.519 -29.720 1.00 0.00 C ATOM 1093 NE ARG A 73 -20.761 3.420 -29.957 1.00 0.00 N ATOM 1094 CZ ARG A 73 -21.063 2.342 -30.672 1.00 0.00 C ATOM 1095 NH1 ARG A 73 -22.265 2.219 -31.218 1.00 0.00 N ATOM 1096 NH2 ARG A 73 -20.161 1.383 -30.843 1.00 0.00 N ATOM 0 H ARG A 73 -23.730 7.955 -26.869 1.00 0.00 H new ATOM 0 HA ARG A 73 -22.267 5.671 -25.987 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -23.275 5.740 -28.190 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -22.423 7.216 -28.599 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -20.443 6.128 -29.043 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -20.721 4.884 -27.840 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -22.665 4.115 -29.437 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -21.837 5.078 -30.645 1.00 0.00 H new ATOM 0 HE ARG A 73 -19.827 3.484 -29.551 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -22.961 2.953 -31.090 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -22.494 1.390 -31.766 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -19.235 1.473 -30.425 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -20.394 0.556 -31.392 1.00 0.00 H new ATOM 1110 N THR A 74 -20.701 8.496 -26.218 1.00 0.00 N ATOM 1111 CA THR A 74 -19.433 9.174 -25.982 1.00 0.00 C ATOM 1112 C THR A 74 -19.068 9.156 -24.502 1.00 0.00 C ATOM 1113 O THR A 74 -17.939 8.828 -24.134 1.00 0.00 O ATOM 1114 CB THR A 74 -19.477 10.634 -26.470 1.00 0.00 C ATOM 1115 OG1 THR A 74 -20.830 11.022 -26.734 1.00 0.00 O ATOM 1116 CG2 THR A 74 -18.639 10.810 -27.727 1.00 0.00 C ATOM 0 H THR A 74 -21.503 9.120 -26.306 1.00 0.00 H new ATOM 0 HA THR A 74 -18.675 8.632 -26.548 1.00 0.00 H new ATOM 0 HB THR A 74 -19.064 11.268 -25.686 1.00 0.00 H new ATOM 0 HG1 THR A 74 -21.282 11.229 -25.889 1.00 0.00 H new ATOM 0 HG21 THR A 74 -18.686 11.849 -28.053 1.00 0.00 H new ATOM 0 HG22 THR A 74 -17.604 10.542 -27.515 1.00 0.00 H new ATOM 0 HG23 THR A 74 -19.026 10.165 -28.516 1.00 0.00 H new ATOM 1124 N VAL A 75 -20.030 9.509 -23.655 1.00 0.00 N ATOM 1125 CA VAL A 75 -19.810 9.531 -22.214 1.00 0.00 C ATOM 1126 C VAL A 75 -19.538 8.130 -21.678 1.00 0.00 C ATOM 1127 O VAL A 75 -18.733 7.949 -20.764 1.00 0.00 O ATOM 1128 CB VAL A 75 -21.019 10.128 -21.470 1.00 0.00 C ATOM 1129 CG1 VAL A 75 -22.280 9.335 -21.778 1.00 0.00 C ATOM 1130 CG2 VAL A 75 -20.757 10.167 -19.972 1.00 0.00 C ATOM 0 H VAL A 75 -20.969 9.784 -23.942 1.00 0.00 H new ATOM 0 HA VAL A 75 -18.938 10.160 -22.037 1.00 0.00 H new ATOM 0 HB VAL A 75 -21.168 11.151 -21.816 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -23.124 9.771 -21.244 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -22.475 9.364 -22.850 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -22.146 8.301 -21.461 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -21.622 10.592 -19.462 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -20.581 9.155 -19.607 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -19.880 10.782 -19.772 1.00 0.00 H new ATOM 1140 N CYS A 76 -20.216 7.142 -22.252 1.00 0.00 N ATOM 1141 CA CYS A 76 -20.048 5.755 -21.831 1.00 0.00 C ATOM 1142 C CYS A 76 -20.190 4.806 -23.017 1.00 0.00 C ATOM 1143 O CYS A 76 -20.844 5.113 -24.014 1.00 0.00 O ATOM 1144 CB CYS A 76 -21.073 5.400 -20.753 1.00 0.00 C ATOM 1145 SG CYS A 76 -22.792 5.633 -21.263 1.00 0.00 S ATOM 0 H CYS A 76 -20.886 7.275 -23.009 1.00 0.00 H new ATOM 0 HA CYS A 76 -19.045 5.645 -21.419 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -20.930 4.360 -20.460 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -20.881 6.010 -19.870 1.00 0.00 H new ATOM 0 HG CYS A 76 -22.827 6.296 -22.381 1.00 0.00 H new ATOM 1151 N PRO A 77 -19.561 3.626 -22.910 1.00 0.00 N ATOM 1152 CA PRO A 77 -19.601 2.609 -23.965 1.00 0.00 C ATOM 1153 C PRO A 77 -20.980 1.973 -24.104 1.00 0.00 C ATOM 1154 O PRO A 77 -21.310 1.409 -25.147 1.00 0.00 O ATOM 1155 CB PRO A 77 -18.578 1.572 -23.496 1.00 0.00 C ATOM 1156 CG PRO A 77 -18.525 1.733 -22.016 1.00 0.00 C ATOM 1157 CD PRO A 77 -18.763 3.194 -21.750 1.00 0.00 C ATOM 0 HA PRO A 77 -19.382 3.030 -24.946 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -18.882 0.563 -23.774 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -17.602 1.747 -23.948 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -19.283 1.119 -21.529 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -17.558 1.417 -21.623 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -19.298 3.350 -20.813 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -17.827 3.747 -21.678 1.00 0.00 H new ATOM 1165 N GLU A 78 -21.780 2.068 -23.047 1.00 0.00 N ATOM 1166 CA GLU A 78 -23.123 1.500 -23.053 1.00 0.00 C ATOM 1167 C GLU A 78 -24.158 2.555 -23.433 1.00 0.00 C ATOM 1168 O GLU A 78 -25.335 2.436 -23.095 1.00 0.00 O ATOM 1169 CB GLU A 78 -23.459 0.912 -21.681 1.00 0.00 C ATOM 1170 CG GLU A 78 -22.482 -0.158 -21.223 1.00 0.00 C ATOM 1171 CD GLU A 78 -22.204 -1.193 -22.295 1.00 0.00 C ATOM 1172 OE1 GLU A 78 -23.083 -2.044 -22.542 1.00 0.00 O ATOM 1173 OE2 GLU A 78 -21.106 -1.151 -22.889 1.00 0.00 O ATOM 0 H GLU A 78 -21.522 2.532 -22.176 1.00 0.00 H new ATOM 0 HA GLU A 78 -23.149 0.704 -23.798 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -23.476 1.716 -20.945 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -24.462 0.487 -21.713 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -21.545 0.314 -20.927 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -22.882 -0.655 -20.339 1.00 0.00 H new ATOM 1180 N GLY A 79 -23.709 3.590 -24.138 1.00 0.00 N ATOM 1181 CA GLY A 79 -24.608 4.651 -24.552 1.00 0.00 C ATOM 1182 C GLY A 79 -25.782 4.135 -25.360 1.00 0.00 C ATOM 1183 O GLY A 79 -26.936 4.315 -24.974 1.00 0.00 O ATOM 0 H GLY A 79 -22.739 3.712 -24.429 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -24.979 5.173 -23.670 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -24.056 5.380 -25.145 1.00 0.00 H new ATOM 1187 N ALA A 80 -25.487 3.494 -26.486 1.00 0.00 N ATOM 1188 CA ALA A 80 -26.527 2.950 -27.350 1.00 0.00 C ATOM 1189 C ALA A 80 -27.494 2.074 -26.561 1.00 0.00 C ATOM 1190 O ALA A 80 -28.670 1.964 -26.908 1.00 0.00 O ATOM 1191 CB ALA A 80 -25.904 2.157 -28.490 1.00 0.00 C ATOM 0 H ALA A 80 -24.536 3.339 -26.821 1.00 0.00 H new ATOM 0 HA ALA A 80 -27.091 3.784 -27.767 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -26.692 1.756 -29.128 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -25.259 2.810 -29.078 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -25.314 1.336 -28.082 1.00 0.00 H new ATOM 1197 N ARG A 81 -26.991 1.453 -25.499 1.00 0.00 N ATOM 1198 CA ARG A 81 -27.811 0.586 -24.662 1.00 0.00 C ATOM 1199 C ARG A 81 -28.656 1.407 -23.691 1.00 0.00 C ATOM 1200 O ARG A 81 -29.780 1.031 -23.360 1.00 0.00 O ATOM 1201 CB ARG A 81 -26.928 -0.392 -23.885 1.00 0.00 C ATOM 1202 CG ARG A 81 -26.115 -1.318 -24.775 1.00 0.00 C ATOM 1203 CD ARG A 81 -26.931 -2.521 -25.219 1.00 0.00 C ATOM 1204 NE ARG A 81 -26.313 -3.215 -26.347 1.00 0.00 N ATOM 1205 CZ ARG A 81 -26.857 -4.265 -26.950 1.00 0.00 C ATOM 1206 NH1 ARG A 81 -28.024 -4.741 -26.538 1.00 0.00 N ATOM 1207 NH2 ARG A 81 -26.234 -4.842 -27.970 1.00 0.00 N ATOM 0 H ARG A 81 -26.020 1.534 -25.198 1.00 0.00 H new ATOM 0 HA ARG A 81 -28.480 0.023 -25.312 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -26.249 0.173 -23.247 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -27.557 -0.993 -23.228 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -25.767 -0.770 -25.650 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -25.229 -1.656 -24.237 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -27.041 -3.213 -24.384 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -27.933 -2.196 -25.498 1.00 0.00 H new ATOM 0 HE ARG A 81 -25.415 -2.874 -26.690 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -28.507 -4.300 -25.755 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -28.439 -5.548 -27.004 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -25.337 -4.479 -28.291 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -26.653 -5.649 -28.433 1.00 0.00 H new ATOM 1221 N VAL A 82 -28.105 2.529 -23.239 1.00 0.00 N ATOM 1222 CA VAL A 82 -28.808 3.404 -22.308 1.00 0.00 C ATOM 1223 C VAL A 82 -29.893 4.205 -23.018 1.00 0.00 C ATOM 1224 O VAL A 82 -31.036 4.260 -22.564 1.00 0.00 O ATOM 1225 CB VAL A 82 -27.838 4.378 -21.612 1.00 0.00 C ATOM 1226 CG1 VAL A 82 -28.594 5.307 -20.676 1.00 0.00 C ATOM 1227 CG2 VAL A 82 -26.761 3.610 -20.860 1.00 0.00 C ATOM 0 H VAL A 82 -27.174 2.853 -23.502 1.00 0.00 H new ATOM 0 HA VAL A 82 -29.268 2.762 -21.557 1.00 0.00 H new ATOM 0 HB VAL A 82 -27.353 4.987 -22.375 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -27.892 5.987 -20.194 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -29.324 5.882 -21.246 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -29.109 4.718 -19.917 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -26.085 4.313 -20.374 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -27.226 2.975 -20.106 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -26.200 2.991 -21.560 1.00 0.00 H new ATOM 1237 N TYR A 83 -29.528 4.824 -24.135 1.00 0.00 N ATOM 1238 CA TYR A 83 -30.470 5.625 -24.908 1.00 0.00 C ATOM 1239 C TYR A 83 -31.725 4.822 -25.238 1.00 0.00 C ATOM 1240 O TYR A 83 -32.843 5.325 -25.132 1.00 0.00 O ATOM 1241 CB TYR A 83 -29.813 6.118 -26.198 1.00 0.00 C ATOM 1242 CG TYR A 83 -30.757 6.871 -27.109 1.00 0.00 C ATOM 1243 CD1 TYR A 83 -31.191 8.151 -26.788 1.00 0.00 C ATOM 1244 CD2 TYR A 83 -31.215 6.301 -28.291 1.00 0.00 C ATOM 1245 CE1 TYR A 83 -32.054 8.842 -27.616 1.00 0.00 C ATOM 1246 CE2 TYR A 83 -32.077 6.985 -29.126 1.00 0.00 C ATOM 1247 CZ TYR A 83 -32.494 8.255 -28.784 1.00 0.00 C ATOM 1248 OH TYR A 83 -33.353 8.940 -29.613 1.00 0.00 O ATOM 0 H TYR A 83 -28.586 4.787 -24.526 1.00 0.00 H new ATOM 0 HA TYR A 83 -30.759 6.485 -24.303 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -28.973 6.765 -25.944 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -29.405 5.263 -26.738 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -30.848 8.614 -25.875 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -30.892 5.307 -28.561 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -32.382 9.836 -27.350 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -32.423 6.528 -30.042 1.00 0.00 H new ATOM 0 HH TYR A 83 -33.565 8.387 -30.393 1.00 0.00 H new ATOM 1258 N SER A 84 -31.530 3.569 -25.638 1.00 0.00 N ATOM 1259 CA SER A 84 -32.644 2.696 -25.987 1.00 0.00 C ATOM 1260 C SER A 84 -33.582 2.511 -24.798 1.00 0.00 C ATOM 1261 O SER A 84 -34.763 2.210 -24.968 1.00 0.00 O ATOM 1262 CB SER A 84 -32.126 1.336 -26.458 1.00 0.00 C ATOM 1263 OG SER A 84 -31.198 1.484 -27.519 1.00 0.00 O ATOM 0 H SER A 84 -30.611 3.136 -25.728 1.00 0.00 H new ATOM 0 HA SER A 84 -33.201 3.165 -26.798 1.00 0.00 H new ATOM 0 HB2 SER A 84 -31.652 0.816 -25.626 1.00 0.00 H new ATOM 0 HB3 SER A 84 -32.962 0.718 -26.785 1.00 0.00 H new ATOM 0 HG SER A 84 -30.301 1.627 -27.151 1.00 0.00 H new ATOM 1269 N GLN A 85 -33.046 2.694 -23.596 1.00 0.00 N ATOM 1270 CA GLN A 85 -33.835 2.547 -22.378 1.00 0.00 C ATOM 1271 C GLN A 85 -34.491 3.868 -21.991 1.00 0.00 C ATOM 1272 O GLN A 85 -35.482 3.890 -21.261 1.00 0.00 O ATOM 1273 CB GLN A 85 -32.954 2.046 -21.232 1.00 0.00 C ATOM 1274 CG GLN A 85 -32.834 0.532 -21.174 1.00 0.00 C ATOM 1275 CD GLN A 85 -34.182 -0.158 -21.097 1.00 0.00 C ATOM 1276 OE1 GLN A 85 -34.771 -0.277 -20.022 1.00 0.00 O ATOM 1277 NE2 GLN A 85 -34.678 -0.617 -22.240 1.00 0.00 N ATOM 0 H GLN A 85 -32.070 2.944 -23.439 1.00 0.00 H new ATOM 0 HA GLN A 85 -34.620 1.816 -22.570 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -31.958 2.477 -21.335 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -33.361 2.406 -20.287 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -32.300 0.180 -22.056 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -32.237 0.252 -20.306 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -34.155 -0.496 -23.108 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -35.582 -1.090 -22.250 1.00 0.00 H new ATOM 1286 N ILE A 86 -33.930 4.968 -22.484 1.00 0.00 N ATOM 1287 CA ILE A 86 -34.462 6.293 -22.190 1.00 0.00 C ATOM 1288 C ILE A 86 -35.508 6.706 -23.219 1.00 0.00 C ATOM 1289 O ILE A 86 -36.436 7.456 -22.912 1.00 0.00 O ATOM 1290 CB ILE A 86 -33.344 7.353 -22.157 1.00 0.00 C ATOM 1291 CG1 ILE A 86 -32.283 6.974 -21.122 1.00 0.00 C ATOM 1292 CG2 ILE A 86 -33.925 8.725 -21.850 1.00 0.00 C ATOM 1293 CD1 ILE A 86 -30.971 7.704 -21.307 1.00 0.00 C ATOM 0 H ILE A 86 -33.108 4.967 -23.088 1.00 0.00 H new ATOM 0 HA ILE A 86 -34.927 6.236 -21.206 1.00 0.00 H new ATOM 0 HB ILE A 86 -32.870 7.392 -23.138 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -32.669 7.184 -20.124 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -32.103 5.900 -21.175 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -33.123 9.463 -21.830 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -34.648 8.995 -22.620 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -34.421 8.701 -20.880 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -30.266 7.386 -20.539 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -30.563 7.475 -22.291 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -31.137 8.778 -21.225 1.00 0.00 H new ATOM 1305 N THR A 87 -35.355 6.211 -24.444 1.00 0.00 N ATOM 1306 CA THR A 87 -36.286 6.528 -25.519 1.00 0.00 C ATOM 1307 C THR A 87 -37.702 6.085 -25.167 1.00 0.00 C ATOM 1308 O THR A 87 -38.679 6.719 -25.568 1.00 0.00 O ATOM 1309 CB THR A 87 -35.865 5.861 -26.842 1.00 0.00 C ATOM 1310 OG1 THR A 87 -36.719 6.299 -27.904 1.00 0.00 O ATOM 1311 CG2 THR A 87 -35.927 4.345 -26.727 1.00 0.00 C ATOM 0 H THR A 87 -34.594 5.588 -24.716 1.00 0.00 H new ATOM 0 HA THR A 87 -36.267 7.611 -25.645 1.00 0.00 H new ATOM 0 HB THR A 87 -34.837 6.151 -27.059 1.00 0.00 H new ATOM 0 HG1 THR A 87 -36.444 5.872 -28.742 1.00 0.00 H new ATOM 0 HG21 THR A 87 -35.625 3.896 -27.673 1.00 0.00 H new ATOM 0 HG22 THR A 87 -35.254 4.012 -25.937 1.00 0.00 H new ATOM 0 HG23 THR A 87 -36.946 4.040 -26.489 1.00 0.00 H new ATOM 1319 N VAL A 88 -37.807 4.994 -24.416 1.00 0.00 N ATOM 1320 CA VAL A 88 -39.104 4.467 -24.009 1.00 0.00 C ATOM 1321 C VAL A 88 -39.733 5.334 -22.923 1.00 0.00 C ATOM 1322 O VAL A 88 -40.950 5.335 -22.745 1.00 0.00 O ATOM 1323 CB VAL A 88 -38.986 3.021 -23.492 1.00 0.00 C ATOM 1324 CG1 VAL A 88 -38.002 2.947 -22.334 1.00 0.00 C ATOM 1325 CG2 VAL A 88 -40.350 2.490 -23.079 1.00 0.00 C ATOM 0 H VAL A 88 -37.009 4.457 -24.077 1.00 0.00 H new ATOM 0 HA VAL A 88 -39.741 4.477 -24.893 1.00 0.00 H new ATOM 0 HB VAL A 88 -38.608 2.394 -24.299 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -37.932 1.918 -21.982 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -37.021 3.284 -22.668 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -38.348 3.586 -21.521 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -40.248 1.467 -22.716 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -40.760 3.117 -22.287 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -41.021 2.505 -23.937 1.00 0.00 H new ATOM 1335 N GLN A 89 -38.894 6.069 -22.201 1.00 0.00 N ATOM 1336 CA GLN A 89 -39.368 6.940 -21.132 1.00 0.00 C ATOM 1337 C GLN A 89 -39.977 8.218 -21.701 1.00 0.00 C ATOM 1338 O GLN A 89 -41.073 8.622 -21.314 1.00 0.00 O ATOM 1339 CB GLN A 89 -38.221 7.286 -20.181 1.00 0.00 C ATOM 1340 CG GLN A 89 -37.505 6.068 -19.622 1.00 0.00 C ATOM 1341 CD GLN A 89 -38.463 5.033 -19.063 1.00 0.00 C ATOM 1342 OE1 GLN A 89 -38.384 3.852 -19.399 1.00 0.00 O ATOM 1343 NE2 GLN A 89 -39.375 5.474 -18.204 1.00 0.00 N ATOM 0 H GLN A 89 -37.883 6.079 -22.337 1.00 0.00 H new ATOM 0 HA GLN A 89 -40.141 6.407 -20.578 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -37.500 7.911 -20.708 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -38.612 7.878 -19.354 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -36.903 5.613 -20.408 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -36.818 6.384 -18.837 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -39.404 6.462 -17.954 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -40.046 4.824 -17.795 1.00 0.00 H new ATOM 1352 N LYS A 90 -39.258 8.851 -22.621 1.00 0.00 N ATOM 1353 CA LYS A 90 -39.726 10.083 -23.245 1.00 0.00 C ATOM 1354 C LYS A 90 -41.024 9.846 -24.010 1.00 0.00 C ATOM 1355 O LYS A 90 -41.943 10.663 -23.958 1.00 0.00 O ATOM 1356 CB LYS A 90 -38.658 10.637 -24.191 1.00 0.00 C ATOM 1357 CG LYS A 90 -37.408 11.123 -23.479 1.00 0.00 C ATOM 1358 CD LYS A 90 -36.154 10.816 -24.281 1.00 0.00 C ATOM 1359 CE LYS A 90 -36.035 11.722 -25.497 1.00 0.00 C ATOM 1360 NZ LYS A 90 -36.852 11.227 -26.640 1.00 0.00 N ATOM 0 H LYS A 90 -38.348 8.531 -22.952 1.00 0.00 H new ATOM 0 HA LYS A 90 -39.917 10.811 -22.456 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -38.381 9.862 -24.906 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -39.084 11.461 -24.763 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -37.479 12.198 -23.310 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -37.339 10.650 -22.499 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -35.276 10.939 -23.647 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -36.172 9.775 -24.602 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -36.355 12.730 -25.232 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -34.990 11.788 -25.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -36.430 11.550 -27.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -36.877 10.187 -26.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -37.820 11.598 -26.561 1.00 0.00 H new