USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 589 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 27 ASN : amide:sc= -0.0988 X(o=-0.099,f=-0.022) USER MOD Single : A 30 THR OG1 : rot -27:sc= -0.31 USER MOD Single : A 33 MET CE :methyl -134:sc= -2.85! (180deg=-6.39!) USER MOD Single : A 36 THR OG1 : rot 39:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -2.63 K(o=-2.6,f=-5!) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 HIS : no HD1:sc= -4.02 K(o=-4,f=-7.2!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -1.82 K(o=-1.8,f=-6.9!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0626) USER MOD Single : A 89 ASN : amide:sc= -2.15 K(o=-2.2,f=-6.1!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 359 N PHE A 22 -13.765 3.811 -18.131 1.00 44.44 N ATOM 360 CA PHE A 22 -14.003 4.437 -19.427 1.00 4.10 C ATOM 361 C PHE A 22 -12.720 4.483 -20.252 1.00 51.15 C ATOM 362 O PHE A 22 -12.761 4.541 -21.482 1.00 74.22 O ATOM 363 CB PHE A 22 -14.553 5.852 -19.240 1.00 53.32 C ATOM 364 CG PHE A 22 -14.511 6.682 -20.492 1.00 31.04 C ATOM 365 CD1 PHE A 22 -13.397 7.449 -20.793 1.00 30.30 C ATOM 366 CD2 PHE A 22 -15.585 6.695 -21.367 1.00 32.33 C ATOM 367 CE1 PHE A 22 -13.356 8.214 -21.943 1.00 71.54 C ATOM 368 CE2 PHE A 22 -15.550 7.457 -22.519 1.00 2.30 C ATOM 369 CZ PHE A 22 -14.433 8.217 -22.808 1.00 72.11 C ATOM 0 HA PHE A 22 -14.738 3.837 -19.963 1.00 4.10 H new ATOM 0 HB2 PHE A 22 -15.583 5.789 -18.890 1.00 53.32 H new ATOM 0 HB3 PHE A 22 -13.981 6.355 -18.460 1.00 53.32 H new ATOM 0 HD1 PHE A 22 -12.551 7.449 -20.121 1.00 30.30 H new ATOM 0 HD2 PHE A 22 -16.460 6.102 -21.146 1.00 32.33 H new ATOM 0 HE1 PHE A 22 -12.483 8.809 -22.165 1.00 71.54 H new ATOM 0 HE2 PHE A 22 -16.394 7.459 -23.192 1.00 2.30 H new ATOM 0 HZ PHE A 22 -14.402 8.812 -23.709 1.00 72.11 H new ATOM 379 N LEU A 23 -11.582 4.458 -19.568 1.00 20.31 N ATOM 380 CA LEU A 23 -10.286 4.497 -20.236 1.00 41.05 C ATOM 381 C LEU A 23 -9.711 3.093 -20.393 1.00 32.21 C ATOM 382 O LEU A 23 -8.991 2.810 -21.350 1.00 54.11 O ATOM 383 CB LEU A 23 -9.311 5.375 -19.450 1.00 62.12 C ATOM 384 CG LEU A 23 -9.902 6.637 -18.821 1.00 23.15 C ATOM 385 CD1 LEU A 23 -9.398 6.808 -17.396 1.00 14.43 C ATOM 386 CD2 LEU A 23 -9.562 7.860 -19.659 1.00 40.50 C ATOM 0 H LEU A 23 -11.530 4.411 -18.550 1.00 20.31 H new ATOM 0 HA LEU A 23 -10.430 4.923 -21.229 1.00 41.05 H new ATOM 0 HB2 LEU A 23 -8.868 4.772 -18.658 1.00 62.12 H new ATOM 0 HB3 LEU A 23 -8.501 5.671 -20.117 1.00 62.12 H new ATOM 0 HG LEU A 23 -10.987 6.532 -18.792 1.00 23.15 H new ATOM 0 HD11 LEU A 23 -9.829 7.711 -16.964 1.00 14.43 H new ATOM 0 HD12 LEU A 23 -9.692 5.944 -16.800 1.00 14.43 H new ATOM 0 HD13 LEU A 23 -8.311 6.891 -17.402 1.00 14.43 H new ATOM 0 HD21 LEU A 23 -9.991 8.749 -19.196 1.00 40.50 H new ATOM 0 HD22 LEU A 23 -8.479 7.969 -19.721 1.00 40.50 H new ATOM 0 HD23 LEU A 23 -9.972 7.739 -20.662 1.00 40.50 H new ATOM 398 N GLU A 24 -10.036 2.217 -19.447 1.00 52.01 N ATOM 399 CA GLU A 24 -9.553 0.842 -19.482 1.00 23.23 C ATOM 400 C GLU A 24 -10.200 0.066 -20.625 1.00 73.01 C ATOM 401 O GLU A 24 -9.867 -1.093 -20.870 1.00 54.35 O ATOM 402 CB GLU A 24 -9.839 0.143 -18.151 1.00 2.54 C ATOM 403 CG GLU A 24 -8.693 0.235 -17.156 1.00 54.35 C ATOM 404 CD GLU A 24 -9.067 -0.293 -15.785 1.00 71.23 C ATOM 405 OE1 GLU A 24 -10.000 -1.120 -15.703 1.00 24.12 O ATOM 406 OE2 GLU A 24 -8.428 0.120 -14.795 1.00 72.32 O ATOM 0 H GLU A 24 -10.631 2.435 -18.648 1.00 52.01 H new ATOM 0 HA GLU A 24 -8.476 0.867 -19.647 1.00 23.23 H new ATOM 0 HB2 GLU A 24 -10.732 0.581 -17.705 1.00 2.54 H new ATOM 0 HB3 GLU A 24 -10.060 -0.907 -18.342 1.00 2.54 H new ATOM 0 HG2 GLU A 24 -7.840 -0.326 -17.537 1.00 54.35 H new ATOM 0 HG3 GLU A 24 -8.377 1.274 -17.067 1.00 54.35 H new ATOM 413 N GLY A 25 -11.129 0.715 -21.321 1.00 60.34 N ATOM 414 CA GLY A 25 -11.810 0.071 -22.430 1.00 4.02 C ATOM 415 C GLY A 25 -11.074 0.248 -23.743 1.00 60.13 C ATOM 416 O GLY A 25 -11.353 -0.450 -24.719 1.00 12.15 O ATOM 0 H GLY A 25 -11.422 1.674 -21.137 1.00 60.34 H new ATOM 0 HA2 GLY A 25 -11.918 -0.993 -22.218 1.00 4.02 H new ATOM 0 HA3 GLY A 25 -12.816 0.481 -22.522 1.00 4.02 H new ATOM 420 N PHE A 26 -10.132 1.185 -23.771 1.00 31.03 N ATOM 421 CA PHE A 26 -9.356 1.454 -24.975 1.00 63.35 C ATOM 422 C PHE A 26 -7.968 0.828 -24.879 1.00 24.51 C ATOM 423 O PHE A 26 -7.662 0.115 -23.924 1.00 5.22 O ATOM 424 CB PHE A 26 -9.233 2.962 -25.203 1.00 24.23 C ATOM 425 CG PHE A 26 -10.557 3.667 -25.275 1.00 43.11 C ATOM 426 CD1 PHE A 26 -11.348 3.568 -26.408 1.00 14.12 C ATOM 427 CD2 PHE A 26 -11.009 4.430 -24.210 1.00 74.35 C ATOM 428 CE1 PHE A 26 -12.568 4.216 -26.478 1.00 24.44 C ATOM 429 CE2 PHE A 26 -12.228 5.079 -24.274 1.00 42.03 C ATOM 430 CZ PHE A 26 -13.007 4.973 -25.410 1.00 33.14 C ATOM 0 H PHE A 26 -9.888 1.771 -22.973 1.00 31.03 H new ATOM 0 HA PHE A 26 -9.879 1.008 -25.821 1.00 63.35 H new ATOM 0 HB2 PHE A 26 -8.642 3.396 -24.396 1.00 24.23 H new ATOM 0 HB3 PHE A 26 -8.686 3.138 -26.129 1.00 24.23 H new ATOM 0 HD1 PHE A 26 -11.008 2.978 -27.246 1.00 14.12 H new ATOM 0 HD2 PHE A 26 -10.403 4.519 -23.321 1.00 74.35 H new ATOM 0 HE1 PHE A 26 -13.176 4.130 -27.366 1.00 24.44 H new ATOM 0 HE2 PHE A 26 -12.571 5.668 -23.437 1.00 42.03 H new ATOM 0 HZ PHE A 26 -13.958 5.482 -25.463 1.00 33.14 H new ATOM 440 N ASN A 27 -7.132 1.099 -25.876 1.00 61.12 N ATOM 441 CA ASN A 27 -5.776 0.562 -25.905 1.00 73.31 C ATOM 442 C ASN A 27 -4.812 1.479 -25.160 1.00 23.15 C ATOM 443 O ASN A 27 -5.109 2.651 -24.925 1.00 74.43 O ATOM 444 CB ASN A 27 -5.309 0.378 -27.350 1.00 41.14 C ATOM 445 CG ASN A 27 -5.429 -1.059 -27.819 1.00 20.34 C ATOM 446 OD1 ASN A 27 -6.449 -1.713 -27.598 1.00 40.52 O ATOM 447 ND2 ASN A 27 -4.384 -1.559 -28.468 1.00 52.15 N ATOM 0 H ASN A 27 -7.370 1.687 -26.675 1.00 61.12 H new ATOM 0 HA ASN A 27 -5.785 -0.408 -25.407 1.00 73.31 H new ATOM 0 HB2 ASN A 27 -5.898 1.021 -28.004 1.00 41.14 H new ATOM 0 HB3 ASN A 27 -4.271 0.700 -27.437 1.00 41.14 H new ATOM 0 HD21 ASN A 27 -4.406 -2.521 -28.806 1.00 52.15 H new ATOM 0 HD22 ASN A 27 -3.559 -0.981 -28.629 1.00 52.15 H new ATOM 454 N ILE A 28 -3.656 0.938 -24.790 1.00 63.12 N ATOM 455 CA ILE A 28 -2.647 1.708 -24.073 1.00 60.21 C ATOM 456 C ILE A 28 -1.758 2.484 -25.039 1.00 70.41 C ATOM 457 O ILE A 28 -1.270 3.566 -24.716 1.00 33.05 O ATOM 458 CB ILE A 28 -1.764 0.800 -23.197 1.00 2.23 C ATOM 459 CG1 ILE A 28 -0.833 1.646 -22.325 1.00 33.55 C ATOM 460 CG2 ILE A 28 -0.961 -0.156 -24.066 1.00 25.04 C ATOM 461 CD1 ILE A 28 -1.567 2.576 -21.384 1.00 24.01 C ATOM 0 H ILE A 28 -3.395 -0.031 -24.975 1.00 63.12 H new ATOM 0 HA ILE A 28 -3.182 2.409 -23.432 1.00 60.21 H new ATOM 0 HB ILE A 28 -2.408 0.212 -22.544 1.00 2.23 H new ATOM 0 HG12 ILE A 28 -0.193 0.984 -21.742 1.00 33.55 H new ATOM 0 HG13 ILE A 28 -0.180 2.235 -22.969 1.00 33.55 H new ATOM 0 HG21 ILE A 28 -0.342 -0.791 -23.432 1.00 25.04 H new ATOM 0 HG22 ILE A 28 -1.642 -0.777 -24.648 1.00 25.04 H new ATOM 0 HG23 ILE A 28 -0.323 0.415 -24.741 1.00 25.04 H new ATOM 0 HD11 ILE A 28 -0.845 3.144 -20.797 1.00 24.01 H new ATOM 0 HD12 ILE A 28 -2.187 3.263 -21.961 1.00 24.01 H new ATOM 0 HD13 ILE A 28 -2.199 1.992 -20.715 1.00 24.01 H new ATOM 473 N GLU A 29 -1.554 1.923 -26.227 1.00 64.10 N ATOM 474 CA GLU A 29 -0.724 2.563 -27.241 1.00 1.43 C ATOM 475 C GLU A 29 -1.471 3.715 -27.908 1.00 34.52 C ATOM 476 O GLU A 29 -0.862 4.669 -28.391 1.00 1.41 O ATOM 477 CB GLU A 29 -0.290 1.543 -28.295 1.00 41.55 C ATOM 478 CG GLU A 29 -1.425 1.070 -29.188 1.00 0.21 C ATOM 479 CD GLU A 29 -0.943 0.198 -30.331 1.00 55.22 C ATOM 480 OE1 GLU A 29 -0.230 -0.791 -30.062 1.00 43.22 O ATOM 481 OE2 GLU A 29 -1.280 0.504 -31.494 1.00 42.40 O ATOM 0 H GLU A 29 -1.952 1.028 -26.511 1.00 64.10 H new ATOM 0 HA GLU A 29 0.162 2.964 -26.749 1.00 1.43 H new ATOM 0 HB2 GLU A 29 0.490 1.984 -28.916 1.00 41.55 H new ATOM 0 HB3 GLU A 29 0.151 0.681 -27.794 1.00 41.55 H new ATOM 0 HG2 GLU A 29 -2.145 0.512 -28.589 1.00 0.21 H new ATOM 0 HG3 GLU A 29 -1.949 1.936 -29.592 1.00 0.21 H new ATOM 488 N THR A 30 -2.797 3.617 -27.931 1.00 71.03 N ATOM 489 CA THR A 30 -3.629 4.648 -28.540 1.00 24.51 C ATOM 490 C THR A 30 -3.439 5.990 -27.843 1.00 31.23 C ATOM 491 O THR A 30 -3.698 7.044 -28.423 1.00 14.20 O ATOM 492 CB THR A 30 -5.120 4.265 -28.495 1.00 71.13 C ATOM 493 OG1 THR A 30 -5.495 3.909 -27.160 1.00 22.30 O ATOM 494 CG2 THR A 30 -5.409 3.104 -29.435 1.00 53.33 C ATOM 0 H THR A 30 -3.318 2.834 -27.535 1.00 71.03 H new ATOM 0 HA THR A 30 -3.315 4.735 -29.580 1.00 24.51 H new ATOM 0 HB THR A 30 -5.703 5.127 -28.818 1.00 71.13 H new ATOM 0 HG1 THR A 30 -4.712 3.565 -26.681 1.00 22.30 H new ATOM 0 HG21 THR A 30 -6.468 2.851 -29.386 1.00 53.33 H new ATOM 0 HG22 THR A 30 -5.151 3.389 -30.455 1.00 53.33 H new ATOM 0 HG23 THR A 30 -4.816 2.239 -29.138 1.00 53.33 H new ATOM 502 N PHE A 31 -2.984 5.944 -26.595 1.00 15.12 N ATOM 503 CA PHE A 31 -2.760 7.158 -25.818 1.00 32.31 C ATOM 504 C PHE A 31 -1.428 7.802 -26.189 1.00 2.33 C ATOM 505 O PHE A 31 -0.532 7.142 -26.714 1.00 74.21 O ATOM 506 CB PHE A 31 -2.788 6.843 -24.321 1.00 32.31 C ATOM 507 CG PHE A 31 -4.037 6.135 -23.881 1.00 34.45 C ATOM 508 CD1 PHE A 31 -5.242 6.361 -24.526 1.00 13.31 C ATOM 509 CD2 PHE A 31 -4.007 5.243 -22.821 1.00 21.53 C ATOM 510 CE1 PHE A 31 -6.394 5.711 -24.123 1.00 43.05 C ATOM 511 CE2 PHE A 31 -5.155 4.589 -22.414 1.00 42.01 C ATOM 512 CZ PHE A 31 -6.350 4.824 -23.065 1.00 41.54 C ATOM 0 H PHE A 31 -2.763 5.080 -26.100 1.00 15.12 H new ATOM 0 HA PHE A 31 -3.560 7.861 -26.049 1.00 32.31 H new ATOM 0 HB2 PHE A 31 -1.924 6.228 -24.071 1.00 32.31 H new ATOM 0 HB3 PHE A 31 -2.690 7.773 -23.760 1.00 32.31 H new ATOM 0 HD1 PHE A 31 -5.282 7.053 -25.354 1.00 13.31 H new ATOM 0 HD2 PHE A 31 -3.076 5.056 -22.307 1.00 21.53 H new ATOM 0 HE1 PHE A 31 -7.327 5.897 -24.635 1.00 43.05 H new ATOM 0 HE2 PHE A 31 -5.117 3.895 -21.588 1.00 42.01 H new ATOM 0 HZ PHE A 31 -7.248 4.315 -22.748 1.00 41.54 H new ATOM 522 N GLU A 32 -1.306 9.097 -25.911 1.00 61.32 N ATOM 523 CA GLU A 32 -0.084 9.831 -26.217 1.00 23.01 C ATOM 524 C GLU A 32 0.218 10.860 -25.132 1.00 4.42 C ATOM 525 O GLU A 32 -0.642 11.659 -24.763 1.00 10.14 O ATOM 526 CB GLU A 32 -0.206 10.526 -27.575 1.00 21.23 C ATOM 527 CG GLU A 32 -1.316 11.562 -27.630 1.00 43.23 C ATOM 528 CD GLU A 32 -1.736 11.891 -29.050 1.00 0.24 C ATOM 529 OE1 GLU A 32 -0.851 12.211 -29.871 1.00 22.13 O ATOM 530 OE2 GLU A 32 -2.949 11.829 -29.339 1.00 40.53 O ATOM 0 H GLU A 32 -2.038 9.658 -25.475 1.00 61.32 H new ATOM 0 HA GLU A 32 0.738 9.117 -26.256 1.00 23.01 H new ATOM 0 HB2 GLU A 32 0.742 11.008 -27.814 1.00 21.23 H new ATOM 0 HB3 GLU A 32 -0.384 9.774 -28.344 1.00 21.23 H new ATOM 0 HG2 GLU A 32 -2.179 11.194 -27.076 1.00 43.23 H new ATOM 0 HG3 GLU A 32 -0.983 12.473 -27.133 1.00 43.23 H new ATOM 537 N MET A 33 1.447 10.834 -24.625 1.00 14.11 N ATOM 538 CA MET A 33 1.863 11.765 -23.582 1.00 51.15 C ATOM 539 C MET A 33 1.619 13.208 -24.013 1.00 73.01 C ATOM 540 O MET A 33 2.236 13.697 -24.959 1.00 63.12 O ATOM 541 CB MET A 33 3.342 11.563 -23.250 1.00 5.42 C ATOM 542 CG MET A 33 3.853 12.493 -22.160 1.00 74.44 C ATOM 543 SD MET A 33 5.651 12.627 -22.148 1.00 14.02 S ATOM 544 CE MET A 33 5.905 13.628 -20.684 1.00 61.33 C ATOM 0 H MET A 33 2.171 10.179 -24.919 1.00 14.11 H new ATOM 0 HA MET A 33 1.267 11.565 -22.691 1.00 51.15 H new ATOM 0 HB2 MET A 33 3.498 10.530 -22.938 1.00 5.42 H new ATOM 0 HB3 MET A 33 3.933 11.716 -24.153 1.00 5.42 H new ATOM 0 HG2 MET A 33 3.420 13.483 -22.300 1.00 74.44 H new ATOM 0 HG3 MET A 33 3.513 12.131 -21.190 1.00 74.44 H new ATOM 0 HE1 MET A 33 6.619 14.421 -20.905 1.00 61.33 H new ATOM 0 HE2 MET A 33 4.957 14.069 -20.375 1.00 61.33 H new ATOM 0 HE3 MET A 33 6.294 13.004 -19.879 1.00 61.33 H new ATOM 554 N VAL A 34 0.714 13.885 -23.313 1.00 31.10 N ATOM 555 CA VAL A 34 0.389 15.272 -23.623 1.00 11.13 C ATOM 556 C VAL A 34 1.232 16.233 -22.792 1.00 31.34 C ATOM 557 O VAL A 34 1.406 17.395 -23.154 1.00 43.23 O ATOM 558 CB VAL A 34 -1.102 15.568 -23.374 1.00 51.12 C ATOM 559 CG1 VAL A 34 -1.463 15.307 -21.920 1.00 13.52 C ATOM 560 CG2 VAL A 34 -1.433 17.000 -23.766 1.00 1.31 C ATOM 0 H VAL A 34 0.193 13.495 -22.527 1.00 31.10 H new ATOM 0 HA VAL A 34 0.610 15.420 -24.680 1.00 11.13 H new ATOM 0 HB VAL A 34 -1.696 14.899 -23.996 1.00 51.12 H new ATOM 0 HG11 VAL A 34 -2.520 15.522 -21.763 1.00 13.52 H new ATOM 0 HG12 VAL A 34 -1.265 14.263 -21.678 1.00 13.52 H new ATOM 0 HG13 VAL A 34 -0.863 15.949 -21.275 1.00 13.52 H new ATOM 0 HG21 VAL A 34 -2.490 17.192 -23.584 1.00 1.31 H new ATOM 0 HG22 VAL A 34 -0.831 17.688 -23.172 1.00 1.31 H new ATOM 0 HG23 VAL A 34 -1.215 17.147 -24.824 1.00 1.31 H new ATOM 570 N GLY A 35 1.754 15.738 -21.673 1.00 71.12 N ATOM 571 CA GLY A 35 2.573 16.566 -20.807 1.00 62.34 C ATOM 572 C GLY A 35 2.833 15.918 -19.462 1.00 63.40 C ATOM 573 O GLY A 35 2.460 14.766 -19.236 1.00 13.12 O ATOM 0 H GLY A 35 1.624 14.779 -21.351 1.00 71.12 H new ATOM 0 HA2 GLY A 35 3.524 16.770 -21.298 1.00 62.34 H new ATOM 0 HA3 GLY A 35 2.080 17.526 -20.655 1.00 62.34 H new ATOM 577 N THR A 36 3.478 16.658 -18.565 1.00 34.41 N ATOM 578 CA THR A 36 3.790 16.148 -17.236 1.00 21.50 C ATOM 579 C THR A 36 3.784 17.267 -16.202 1.00 15.33 C ATOM 580 O THR A 36 4.160 18.402 -16.498 1.00 12.22 O ATOM 581 CB THR A 36 5.163 15.449 -17.211 1.00 33.12 C ATOM 582 OG1 THR A 36 6.069 16.117 -18.096 1.00 11.25 O ATOM 583 CG2 THR A 36 5.034 13.989 -17.617 1.00 21.54 C ATOM 0 H THR A 36 3.794 17.613 -18.735 1.00 34.41 H new ATOM 0 HA THR A 36 3.016 15.422 -16.986 1.00 21.50 H new ATOM 0 HB THR A 36 5.551 15.494 -16.193 1.00 33.12 H new ATOM 0 HG1 THR A 36 5.928 17.085 -18.038 1.00 11.25 H new ATOM 0 HG21 THR A 36 6.016 13.516 -17.592 1.00 21.54 H new ATOM 0 HG22 THR A 36 4.367 13.476 -16.924 1.00 21.54 H new ATOM 0 HG23 THR A 36 4.627 13.927 -18.626 1.00 21.54 H new ATOM 591 N LEU A 37 3.355 16.942 -14.987 1.00 74.03 N ATOM 592 CA LEU A 37 3.300 17.921 -13.907 1.00 51.33 C ATOM 593 C LEU A 37 4.232 17.526 -12.766 1.00 41.45 C ATOM 594 O LEU A 37 4.342 16.350 -12.420 1.00 45.34 O ATOM 595 CB LEU A 37 1.868 18.057 -13.387 1.00 73.42 C ATOM 596 CG LEU A 37 1.612 19.211 -12.418 1.00 10.21 C ATOM 597 CD1 LEU A 37 2.124 18.865 -11.028 1.00 44.15 C ATOM 598 CD2 LEU A 37 2.264 20.489 -12.926 1.00 63.30 C ATOM 0 H LEU A 37 3.040 16.008 -14.725 1.00 74.03 H new ATOM 0 HA LEU A 37 3.628 18.882 -14.304 1.00 51.33 H new ATOM 0 HB2 LEU A 37 1.202 18.173 -14.242 1.00 73.42 H new ATOM 0 HB3 LEU A 37 1.593 17.126 -12.892 1.00 73.42 H new ATOM 0 HG LEU A 37 0.536 19.376 -12.356 1.00 10.21 H new ATOM 0 HD11 LEU A 37 1.933 19.698 -10.352 1.00 44.15 H new ATOM 0 HD12 LEU A 37 1.611 17.976 -10.662 1.00 44.15 H new ATOM 0 HD13 LEU A 37 3.196 18.672 -11.073 1.00 44.15 H new ATOM 0 HD21 LEU A 37 2.071 21.300 -12.224 1.00 63.30 H new ATOM 0 HD22 LEU A 37 3.339 20.337 -13.019 1.00 63.30 H new ATOM 0 HD23 LEU A 37 1.849 20.747 -13.900 1.00 63.30 H new ATOM 610 N SER A 38 4.900 18.518 -12.184 1.00 74.35 N ATOM 611 CA SER A 38 5.824 18.274 -11.083 1.00 73.22 C ATOM 612 C SER A 38 5.766 19.408 -10.064 1.00 40.03 C ATOM 613 O SER A 38 5.850 20.582 -10.421 1.00 53.33 O ATOM 614 CB SER A 38 7.251 18.120 -11.612 1.00 1.12 C ATOM 615 OG SER A 38 8.194 18.647 -10.695 1.00 22.35 O ATOM 0 H SER A 38 4.818 19.497 -12.457 1.00 74.35 H new ATOM 0 HA SER A 38 5.526 17.349 -10.589 1.00 73.22 H new ATOM 0 HB2 SER A 38 7.464 17.066 -11.792 1.00 1.12 H new ATOM 0 HB3 SER A 38 7.345 18.632 -12.570 1.00 1.12 H new ATOM 0 HG SER A 38 9.098 18.535 -11.055 1.00 22.35 H new ATOM 621 N ASN A 39 5.622 19.047 -8.793 1.00 63.54 N ATOM 622 CA ASN A 39 5.553 20.033 -7.721 1.00 74.15 C ATOM 623 C ASN A 39 5.645 19.359 -6.356 1.00 1.54 C ATOM 624 O ASN A 39 5.944 18.170 -6.258 1.00 23.21 O ATOM 625 CB ASN A 39 4.253 20.834 -7.821 1.00 34.32 C ATOM 626 CG ASN A 39 3.045 20.033 -7.373 1.00 51.21 C ATOM 627 OD1 ASN A 39 2.351 20.411 -6.429 1.00 21.11 O ATOM 628 ND2 ASN A 39 2.788 18.920 -8.051 1.00 44.50 N ATOM 0 H ASN A 39 5.551 18.079 -8.480 1.00 63.54 H new ATOM 0 HA ASN A 39 6.399 20.711 -7.829 1.00 74.15 H new ATOM 0 HB2 ASN A 39 4.336 21.734 -7.211 1.00 34.32 H new ATOM 0 HB3 ASN A 39 4.108 21.160 -8.851 1.00 34.32 H new ATOM 0 HD21 ASN A 39 1.988 18.341 -7.796 1.00 44.50 H new ATOM 0 HD22 ASN A 39 3.390 18.645 -8.827 1.00 44.50 H new ATOM 635 N ALA A 40 5.385 20.129 -5.304 1.00 4.13 N ATOM 636 CA ALA A 40 5.437 19.607 -3.944 1.00 34.21 C ATOM 637 C ALA A 40 4.586 18.349 -3.807 1.00 31.44 C ATOM 638 O ALA A 40 4.943 17.424 -3.077 1.00 41.20 O ATOM 639 CB ALA A 40 4.978 20.667 -2.954 1.00 32.03 C ATOM 0 H ALA A 40 5.136 21.116 -5.368 1.00 4.13 H new ATOM 0 HA ALA A 40 6.471 19.342 -3.722 1.00 34.21 H new ATOM 0 HB1 ALA A 40 5.022 20.263 -1.942 1.00 32.03 H new ATOM 0 HB2 ALA A 40 5.629 21.538 -3.026 1.00 32.03 H new ATOM 0 HB3 ALA A 40 3.954 20.960 -3.184 1.00 32.03 H new ATOM 645 N GLN A 41 3.460 18.322 -4.512 1.00 33.51 N ATOM 646 CA GLN A 41 2.558 17.177 -4.467 1.00 30.53 C ATOM 647 C GLN A 41 3.238 15.926 -5.013 1.00 65.20 C ATOM 648 O GLN A 41 2.961 14.812 -4.570 1.00 3.23 O ATOM 649 CB GLN A 41 1.287 17.470 -5.265 1.00 73.11 C ATOM 650 CG GLN A 41 0.081 17.784 -4.395 1.00 14.22 C ATOM 651 CD GLN A 41 -1.219 17.289 -4.998 1.00 31.23 C ATOM 652 OE1 GLN A 41 -1.542 16.103 -4.918 1.00 0.25 O ATOM 653 NE2 GLN A 41 -1.974 18.196 -5.606 1.00 43.52 N ATOM 0 H GLN A 41 3.150 19.079 -5.121 1.00 33.51 H new ATOM 0 HA GLN A 41 2.291 16.998 -3.425 1.00 30.53 H new ATOM 0 HB2 GLN A 41 1.473 18.312 -5.932 1.00 73.11 H new ATOM 0 HB3 GLN A 41 1.057 16.610 -5.894 1.00 73.11 H new ATOM 0 HG2 GLN A 41 0.218 17.330 -3.414 1.00 14.22 H new ATOM 0 HG3 GLN A 41 0.019 18.861 -4.242 1.00 14.22 H new ATOM 0 HE21 GLN A 41 -1.668 19.168 -5.649 1.00 43.52 H new ATOM 0 HE22 GLN A 41 -2.860 17.921 -6.030 1.00 43.52 H new ATOM 662 N GLY A 42 4.131 16.118 -5.980 1.00 21.23 N ATOM 663 CA GLY A 42 4.837 14.996 -6.571 1.00 51.21 C ATOM 664 C GLY A 42 4.989 15.134 -8.073 1.00 70.30 C ATOM 665 O GLY A 42 4.904 16.236 -8.616 1.00 34.04 O ATOM 0 H GLY A 42 4.378 17.030 -6.364 1.00 21.23 H new ATOM 0 HA2 GLY A 42 5.823 14.910 -6.115 1.00 51.21 H new ATOM 0 HA3 GLY A 42 4.301 14.074 -6.346 1.00 51.21 H new ATOM 669 N THR A 43 5.217 14.012 -8.749 1.00 31.54 N ATOM 670 CA THR A 43 5.384 14.012 -10.196 1.00 63.43 C ATOM 671 C THR A 43 4.263 13.237 -10.879 1.00 64.44 C ATOM 672 O THR A 43 4.235 12.006 -10.844 1.00 14.21 O ATOM 673 CB THR A 43 6.738 13.401 -10.605 1.00 42.33 C ATOM 674 OG1 THR A 43 7.732 13.710 -9.622 1.00 11.05 O ATOM 675 CG2 THR A 43 7.181 13.927 -11.963 1.00 33.34 C ATOM 0 H THR A 43 5.290 13.091 -8.316 1.00 31.54 H new ATOM 0 HA THR A 43 5.351 15.053 -10.518 1.00 63.43 H new ATOM 0 HB THR A 43 6.618 12.320 -10.673 1.00 42.33 H new ATOM 0 HG1 THR A 43 8.589 13.317 -9.889 1.00 11.05 H new ATOM 0 HG21 THR A 43 8.139 13.482 -12.231 1.00 33.34 H new ATOM 0 HG22 THR A 43 6.437 13.665 -12.715 1.00 33.34 H new ATOM 0 HG23 THR A 43 7.285 15.011 -11.917 1.00 33.34 H new ATOM 683 N PHE A 44 3.342 13.964 -11.502 1.00 34.22 N ATOM 684 CA PHE A 44 2.217 13.344 -12.194 1.00 25.24 C ATOM 685 C PHE A 44 2.449 13.328 -13.702 1.00 30.42 C ATOM 686 O PHE A 44 3.227 14.121 -14.230 1.00 5.25 O ATOM 687 CB PHE A 44 0.920 14.089 -11.873 1.00 42.34 C ATOM 688 CG PHE A 44 0.701 14.307 -10.404 1.00 3.35 C ATOM 689 CD1 PHE A 44 1.296 15.376 -9.752 1.00 32.20 C ATOM 690 CD2 PHE A 44 -0.099 13.443 -9.673 1.00 43.22 C ATOM 691 CE1 PHE A 44 1.096 15.579 -8.399 1.00 42.55 C ATOM 692 CE2 PHE A 44 -0.302 13.642 -8.321 1.00 13.12 C ATOM 693 CZ PHE A 44 0.297 14.711 -7.683 1.00 32.31 C ATOM 0 H PHE A 44 3.352 14.983 -11.542 1.00 34.22 H new ATOM 0 HA PHE A 44 2.131 12.314 -11.847 1.00 25.24 H new ATOM 0 HB2 PHE A 44 0.931 15.055 -12.378 1.00 42.34 H new ATOM 0 HB3 PHE A 44 0.078 13.527 -12.278 1.00 42.34 H new ATOM 0 HD1 PHE A 44 1.923 16.058 -10.307 1.00 32.20 H new ATOM 0 HD2 PHE A 44 -0.569 12.605 -10.166 1.00 43.22 H new ATOM 0 HE1 PHE A 44 1.565 16.416 -7.903 1.00 42.55 H new ATOM 0 HE2 PHE A 44 -0.929 12.962 -7.763 1.00 13.12 H new ATOM 0 HZ PHE A 44 0.140 14.867 -6.626 1.00 32.31 H new ATOM 703 N ALA A 45 1.767 12.417 -14.389 1.00 43.22 N ATOM 704 CA ALA A 45 1.897 12.298 -15.836 1.00 72.41 C ATOM 705 C ALA A 45 0.593 12.664 -16.536 1.00 53.32 C ATOM 706 O ALA A 45 -0.484 12.213 -16.142 1.00 44.11 O ATOM 707 CB ALA A 45 2.322 10.886 -16.213 1.00 52.12 C ATOM 0 H ALA A 45 1.120 11.751 -13.967 1.00 43.22 H new ATOM 0 HA ALA A 45 2.665 12.998 -16.166 1.00 72.41 H new ATOM 0 HB1 ALA A 45 2.415 10.811 -17.296 1.00 52.12 H new ATOM 0 HB2 ALA A 45 3.282 10.659 -15.750 1.00 52.12 H new ATOM 0 HB3 ALA A 45 1.573 10.175 -15.863 1.00 52.12 H new ATOM 713 N LEU A 46 0.695 13.485 -17.576 1.00 2.24 N ATOM 714 CA LEU A 46 -0.477 13.913 -18.331 1.00 11.41 C ATOM 715 C LEU A 46 -0.517 13.244 -19.701 1.00 5.01 C ATOM 716 O LEU A 46 0.335 13.498 -20.553 1.00 3.34 O ATOM 717 CB LEU A 46 -0.476 15.434 -18.494 1.00 3.44 C ATOM 718 CG LEU A 46 0.016 16.238 -17.289 1.00 63.22 C ATOM 719 CD1 LEU A 46 -0.133 17.729 -17.545 1.00 55.44 C ATOM 720 CD2 LEU A 46 -0.740 15.832 -16.033 1.00 2.05 C ATOM 0 H LEU A 46 1.578 13.867 -17.915 1.00 2.24 H new ATOM 0 HA LEU A 46 -1.365 13.614 -17.775 1.00 11.41 H new ATOM 0 HB2 LEU A 46 0.146 15.687 -19.353 1.00 3.44 H new ATOM 0 HB3 LEU A 46 -1.491 15.755 -18.730 1.00 3.44 H new ATOM 0 HG LEU A 46 1.073 16.021 -17.139 1.00 63.22 H new ATOM 0 HD11 LEU A 46 0.222 18.284 -16.677 1.00 55.44 H new ATOM 0 HD12 LEU A 46 0.454 18.008 -18.420 1.00 55.44 H new ATOM 0 HD13 LEU A 46 -1.182 17.965 -17.722 1.00 55.44 H new ATOM 0 HD21 LEU A 46 -0.377 16.414 -15.186 1.00 2.05 H new ATOM 0 HD22 LEU A 46 -1.805 16.019 -16.173 1.00 2.05 H new ATOM 0 HD23 LEU A 46 -0.581 14.771 -15.839 1.00 2.05 H new ATOM 732 N VAL A 47 -1.513 12.388 -19.907 1.00 43.44 N ATOM 733 CA VAL A 47 -1.666 11.685 -21.175 1.00 63.32 C ATOM 734 C VAL A 47 -2.985 12.045 -21.848 1.00 15.11 C ATOM 735 O VAL A 47 -3.926 12.496 -21.194 1.00 32.33 O ATOM 736 CB VAL A 47 -1.601 10.158 -20.981 1.00 51.11 C ATOM 737 CG1 VAL A 47 -2.865 9.652 -20.303 1.00 20.02 C ATOM 738 CG2 VAL A 47 -1.386 9.460 -22.316 1.00 15.52 C ATOM 0 H VAL A 47 -2.226 12.165 -19.212 1.00 43.44 H new ATOM 0 HA VAL A 47 -0.839 11.999 -21.812 1.00 63.32 H new ATOM 0 HB VAL A 47 -0.754 9.927 -20.336 1.00 51.11 H new ATOM 0 HG11 VAL A 47 -2.801 8.572 -20.174 1.00 20.02 H new ATOM 0 HG12 VAL A 47 -2.970 10.128 -19.328 1.00 20.02 H new ATOM 0 HG13 VAL A 47 -3.730 9.893 -20.920 1.00 20.02 H new ATOM 0 HG21 VAL A 47 -1.343 8.382 -22.160 1.00 15.52 H new ATOM 0 HG22 VAL A 47 -2.211 9.697 -22.987 1.00 15.52 H new ATOM 0 HG23 VAL A 47 -0.450 9.801 -22.758 1.00 15.52 H new ATOM 748 N LYS A 48 -3.049 11.843 -23.160 1.00 1.43 N ATOM 749 CA LYS A 48 -4.254 12.145 -23.923 1.00 61.22 C ATOM 750 C LYS A 48 -4.785 10.895 -24.618 1.00 31.25 C ATOM 751 O LYS A 48 -4.014 10.064 -25.097 1.00 54.51 O ATOM 752 CB LYS A 48 -3.967 13.234 -24.960 1.00 22.44 C ATOM 753 CG LYS A 48 -5.176 13.609 -25.798 1.00 51.13 C ATOM 754 CD LYS A 48 -4.779 14.436 -27.010 1.00 34.11 C ATOM 755 CE LYS A 48 -5.876 15.415 -27.400 1.00 32.10 C ATOM 756 NZ LYS A 48 -5.484 16.251 -28.568 1.00 63.01 N ATOM 0 H LYS A 48 -2.280 11.471 -23.717 1.00 1.43 H new ATOM 0 HA LYS A 48 -5.013 12.504 -23.228 1.00 61.22 H new ATOM 0 HB2 LYS A 48 -3.600 14.124 -24.448 1.00 22.44 H new ATOM 0 HB3 LYS A 48 -3.169 12.894 -25.620 1.00 22.44 H new ATOM 0 HG2 LYS A 48 -5.688 12.704 -26.126 1.00 51.13 H new ATOM 0 HG3 LYS A 48 -5.883 14.172 -25.188 1.00 51.13 H new ATOM 0 HD2 LYS A 48 -3.861 14.983 -26.794 1.00 34.11 H new ATOM 0 HD3 LYS A 48 -4.565 13.774 -27.849 1.00 34.11 H new ATOM 0 HE2 LYS A 48 -6.787 14.865 -27.637 1.00 32.10 H new ATOM 0 HE3 LYS A 48 -6.105 16.060 -26.552 1.00 32.10 H new ATOM 0 HZ1 LYS A 48 -6.258 16.905 -28.802 1.00 63.01 H new ATOM 0 HZ2 LYS A 48 -4.630 16.796 -28.334 1.00 63.01 H new ATOM 0 HZ3 LYS A 48 -5.290 15.637 -29.385 1.00 63.01 H new ATOM 770 N GLY A 49 -6.108 10.768 -24.669 1.00 2.34 N ATOM 771 CA GLY A 49 -6.719 9.617 -25.308 1.00 3.44 C ATOM 772 C GLY A 49 -8.217 9.560 -25.087 1.00 73.52 C ATOM 773 O GLY A 49 -8.774 10.367 -24.344 1.00 42.43 O ATOM 0 H GLY A 49 -6.767 11.442 -24.279 1.00 2.34 H new ATOM 0 HA2 GLY A 49 -6.513 9.647 -26.378 1.00 3.44 H new ATOM 0 HA3 GLY A 49 -6.263 8.706 -24.922 1.00 3.44 H new ATOM 777 N ALA A 50 -8.873 8.602 -25.736 1.00 4.42 N ATOM 778 CA ALA A 50 -10.316 8.442 -25.607 1.00 3.33 C ATOM 779 C ALA A 50 -11.036 9.769 -25.818 1.00 14.42 C ATOM 780 O ALA A 50 -12.126 9.986 -25.289 1.00 3.41 O ATOM 781 CB ALA A 50 -10.662 7.862 -24.244 1.00 14.25 C ATOM 0 H ALA A 50 -8.427 7.926 -26.356 1.00 4.42 H new ATOM 0 HA ALA A 50 -10.651 7.750 -26.380 1.00 3.33 H new ATOM 0 HB1 ALA A 50 -11.743 7.748 -24.161 1.00 14.25 H new ATOM 0 HB2 ALA A 50 -10.184 6.889 -24.131 1.00 14.25 H new ATOM 0 HB3 ALA A 50 -10.307 8.533 -23.462 1.00 14.25 H new ATOM 787 N GLY A 51 -10.420 10.656 -26.594 1.00 70.54 N ATOM 788 CA GLY A 51 -11.018 11.951 -26.861 1.00 24.13 C ATOM 789 C GLY A 51 -11.006 12.856 -25.645 1.00 21.24 C ATOM 790 O GLY A 51 -11.958 13.596 -25.404 1.00 14.21 O ATOM 0 H GLY A 51 -9.517 10.501 -27.043 1.00 70.54 H new ATOM 0 HA2 GLY A 51 -10.480 12.435 -27.676 1.00 24.13 H new ATOM 0 HA3 GLY A 51 -12.046 11.811 -27.196 1.00 24.13 H new ATOM 794 N GLY A 52 -9.924 12.795 -24.874 1.00 41.30 N ATOM 795 CA GLY A 52 -9.813 13.619 -23.685 1.00 14.44 C ATOM 796 C GLY A 52 -8.450 13.514 -23.031 1.00 42.20 C ATOM 797 O GLY A 52 -7.549 12.861 -23.558 1.00 51.24 O ATOM 0 H GLY A 52 -9.123 12.190 -25.052 1.00 41.30 H new ATOM 0 HA2 GLY A 52 -10.007 14.659 -23.948 1.00 14.44 H new ATOM 0 HA3 GLY A 52 -10.580 13.323 -22.969 1.00 14.44 H new ATOM 801 N VAL A 53 -8.296 14.160 -21.879 1.00 43.15 N ATOM 802 CA VAL A 53 -7.032 14.137 -21.153 1.00 63.01 C ATOM 803 C VAL A 53 -7.157 13.343 -19.858 1.00 24.50 C ATOM 804 O VAL A 53 -8.172 13.419 -19.166 1.00 32.43 O ATOM 805 CB VAL A 53 -6.547 15.562 -20.824 1.00 73.51 C ATOM 806 CG1 VAL A 53 -5.960 16.225 -22.060 1.00 61.14 C ATOM 807 CG2 VAL A 53 -7.686 16.393 -20.253 1.00 75.43 C ATOM 0 H VAL A 53 -9.031 14.705 -21.429 1.00 43.15 H new ATOM 0 HA VAL A 53 -6.302 13.654 -21.803 1.00 63.01 H new ATOM 0 HB VAL A 53 -5.763 15.495 -20.070 1.00 73.51 H new ATOM 0 HG11 VAL A 53 -5.623 17.231 -21.808 1.00 61.14 H new ATOM 0 HG12 VAL A 53 -5.115 15.639 -22.421 1.00 61.14 H new ATOM 0 HG13 VAL A 53 -6.721 16.282 -22.838 1.00 61.14 H new ATOM 0 HG21 VAL A 53 -7.326 17.397 -20.026 1.00 75.43 H new ATOM 0 HG22 VAL A 53 -8.494 16.453 -20.983 1.00 75.43 H new ATOM 0 HG23 VAL A 53 -8.056 15.925 -19.340 1.00 75.43 H new ATOM 817 N HIS A 54 -6.117 12.580 -19.535 1.00 44.12 N ATOM 818 CA HIS A 54 -6.109 11.771 -18.321 1.00 51.43 C ATOM 819 C HIS A 54 -4.884 12.085 -17.467 1.00 74.02 C ATOM 820 O HIS A 54 -3.757 12.096 -17.962 1.00 31.32 O ATOM 821 CB HIS A 54 -6.132 10.284 -18.674 1.00 70.10 C ATOM 822 CG HIS A 54 -6.821 9.986 -19.970 1.00 52.20 C ATOM 823 ND1 HIS A 54 -6.325 9.096 -20.899 1.00 35.32 N ATOM 824 CD2 HIS A 54 -7.976 10.465 -20.489 1.00 44.43 C ATOM 825 CE1 HIS A 54 -7.144 9.041 -21.934 1.00 52.42 C ATOM 826 NE2 HIS A 54 -8.154 9.863 -21.710 1.00 61.04 N ATOM 0 H HIS A 54 -5.269 12.505 -20.097 1.00 44.12 H new ATOM 0 HA HIS A 54 -7.003 12.014 -17.746 1.00 51.43 H new ATOM 0 HB2 HIS A 54 -5.108 9.915 -18.724 1.00 70.10 H new ATOM 0 HB3 HIS A 54 -6.630 9.737 -17.873 1.00 70.10 H new ATOM 0 HD2 HIS A 54 -8.635 11.186 -20.028 1.00 44.43 H new ATOM 0 HE1 HIS A 54 -7.011 8.428 -22.813 1.00 52.42 H new ATOM 0 HE2 HIS A 54 -8.939 10.024 -22.342 1.00 61.04 H new ATOM 834 N ARG A 55 -5.114 12.340 -16.183 1.00 40.33 N ATOM 835 CA ARG A 55 -4.030 12.656 -15.261 1.00 44.13 C ATOM 836 C ARG A 55 -3.762 11.488 -14.317 1.00 5.02 C ATOM 837 O ARG A 55 -4.611 11.127 -13.502 1.00 41.10 O ATOM 838 CB ARG A 55 -4.367 13.911 -14.454 1.00 40.25 C ATOM 839 CG ARG A 55 -4.386 15.183 -15.286 1.00 40.23 C ATOM 840 CD ARG A 55 -4.026 16.401 -14.450 1.00 51.20 C ATOM 841 NE ARG A 55 -3.525 17.500 -15.271 1.00 54.30 N ATOM 842 CZ ARG A 55 -4.300 18.249 -16.048 1.00 62.15 C ATOM 843 NH1 ARG A 55 -5.604 18.018 -16.110 1.00 60.11 N ATOM 844 NH2 ARG A 55 -3.770 19.231 -16.766 1.00 50.21 N ATOM 0 H ARG A 55 -6.041 12.334 -15.758 1.00 40.33 H new ATOM 0 HA ARG A 55 -3.130 12.841 -15.848 1.00 44.13 H new ATOM 0 HB2 ARG A 55 -5.342 13.780 -13.984 1.00 40.25 H new ATOM 0 HB3 ARG A 55 -3.638 14.023 -13.651 1.00 40.25 H new ATOM 0 HG2 ARG A 55 -3.683 15.088 -16.114 1.00 40.23 H new ATOM 0 HG3 ARG A 55 -5.376 15.319 -15.722 1.00 40.23 H new ATOM 0 HD2 ARG A 55 -4.904 16.733 -13.897 1.00 51.20 H new ATOM 0 HD3 ARG A 55 -3.271 16.125 -13.714 1.00 51.20 H new ATOM 0 HE ARG A 55 -2.526 17.704 -15.247 1.00 54.30 H new ATOM 0 HH11 ARG A 55 -6.015 17.264 -15.560 1.00 60.11 H new ATOM 0 HH12 ARG A 55 -6.196 18.595 -16.707 1.00 60.11 H new ATOM 0 HH21 ARG A 55 -2.767 19.411 -16.722 1.00 50.21 H new ATOM 0 HH22 ARG A 55 -4.366 19.806 -17.362 1.00 50.21 H new ATOM 858 N VAL A 56 -2.575 10.900 -14.433 1.00 2.45 N ATOM 859 CA VAL A 56 -2.194 9.774 -13.589 1.00 71.41 C ATOM 860 C VAL A 56 -0.716 9.836 -13.223 1.00 4.33 C ATOM 861 O VAL A 56 0.115 10.268 -14.022 1.00 72.15 O ATOM 862 CB VAL A 56 -2.483 8.430 -14.284 1.00 30.31 C ATOM 863 CG1 VAL A 56 -3.975 8.136 -14.279 1.00 75.12 C ATOM 864 CG2 VAL A 56 -1.937 8.436 -15.704 1.00 11.32 C ATOM 0 H VAL A 56 -1.861 11.185 -15.103 1.00 2.45 H new ATOM 0 HA VAL A 56 -2.793 9.842 -12.681 1.00 71.41 H new ATOM 0 HB VAL A 56 -1.979 7.638 -13.729 1.00 30.31 H new ATOM 0 HG11 VAL A 56 -4.160 7.183 -14.774 1.00 75.12 H new ATOM 0 HG12 VAL A 56 -4.333 8.086 -13.251 1.00 75.12 H new ATOM 0 HG13 VAL A 56 -4.504 8.928 -14.809 1.00 75.12 H new ATOM 0 HG21 VAL A 56 -2.150 7.479 -16.180 1.00 11.32 H new ATOM 0 HG22 VAL A 56 -2.410 9.237 -16.272 1.00 11.32 H new ATOM 0 HG23 VAL A 56 -0.859 8.597 -15.679 1.00 11.32 H new ATOM 874 N ARG A 57 -0.394 9.402 -12.009 1.00 3.35 N ATOM 875 CA ARG A 57 0.985 9.410 -11.535 1.00 63.43 C ATOM 876 C ARG A 57 1.481 7.989 -11.282 1.00 72.34 C ATOM 877 O ARG A 57 0.739 7.021 -11.454 1.00 51.40 O ATOM 878 CB ARG A 57 1.103 10.238 -10.254 1.00 71.34 C ATOM 879 CG ARG A 57 0.000 9.960 -9.246 1.00 62.20 C ATOM 880 CD ARG A 57 0.466 10.227 -7.823 1.00 61.53 C ATOM 881 NE ARG A 57 1.226 9.105 -7.277 1.00 0.30 N ATOM 882 CZ ARG A 57 1.859 9.146 -6.110 1.00 32.33 C ATOM 883 NH1 ARG A 57 1.822 10.245 -5.370 1.00 5.32 N ATOM 884 NH2 ARG A 57 2.529 8.084 -5.680 1.00 43.31 N ATOM 0 H ARG A 57 -1.069 9.040 -11.336 1.00 3.35 H new ATOM 0 HA ARG A 57 1.606 9.861 -12.309 1.00 63.43 H new ATOM 0 HB2 ARG A 57 2.068 10.037 -9.789 1.00 71.34 H new ATOM 0 HB3 ARG A 57 1.089 11.297 -10.513 1.00 71.34 H new ATOM 0 HG2 ARG A 57 -0.865 10.584 -9.470 1.00 62.20 H new ATOM 0 HG3 ARG A 57 -0.324 8.923 -9.336 1.00 62.20 H new ATOM 0 HD2 ARG A 57 1.083 11.125 -7.806 1.00 61.53 H new ATOM 0 HD3 ARG A 57 -0.399 10.422 -7.189 1.00 61.53 H new ATOM 0 HE ARG A 57 1.273 8.244 -7.821 1.00 0.30 H new ATOM 0 HH11 ARG A 57 1.306 11.062 -5.696 1.00 5.32 H new ATOM 0 HH12 ARG A 57 2.309 10.273 -4.474 1.00 5.32 H new ATOM 0 HH21 ARG A 57 2.558 7.236 -6.246 1.00 43.31 H new ATOM 0 HH22 ARG A 57 3.015 8.116 -4.784 1.00 43.31 H new ATOM 898 N VAL A 58 2.740 7.871 -10.874 1.00 22.42 N ATOM 899 CA VAL A 58 3.335 6.569 -10.597 1.00 21.34 C ATOM 900 C VAL A 58 2.439 5.738 -9.685 1.00 61.21 C ATOM 901 O VAL A 58 2.174 6.116 -8.545 1.00 2.22 O ATOM 902 CB VAL A 58 4.722 6.713 -9.942 1.00 51.11 C ATOM 903 CG1 VAL A 58 4.641 7.601 -8.709 1.00 71.35 C ATOM 904 CG2 VAL A 58 5.289 5.346 -9.589 1.00 13.43 C ATOM 0 H VAL A 58 3.368 8.661 -10.728 1.00 22.42 H new ATOM 0 HA VAL A 58 3.445 6.061 -11.555 1.00 21.34 H new ATOM 0 HB VAL A 58 5.395 7.186 -10.657 1.00 51.11 H new ATOM 0 HG11 VAL A 58 5.630 7.691 -8.260 1.00 71.35 H new ATOM 0 HG12 VAL A 58 4.281 8.589 -8.995 1.00 71.35 H new ATOM 0 HG13 VAL A 58 3.954 7.160 -7.987 1.00 71.35 H new ATOM 0 HG21 VAL A 58 6.269 5.467 -9.127 1.00 13.43 H new ATOM 0 HG22 VAL A 58 4.619 4.843 -8.892 1.00 13.43 H new ATOM 0 HG23 VAL A 58 5.386 4.747 -10.495 1.00 13.43 H new ATOM 914 N GLY A 59 1.975 4.602 -10.196 1.00 73.53 N ATOM 915 CA GLY A 59 1.113 3.734 -9.415 1.00 22.14 C ATOM 916 C GLY A 59 -0.241 3.525 -10.063 1.00 11.03 C ATOM 917 O GLY A 59 -0.828 2.448 -9.956 1.00 14.30 O ATOM 0 H GLY A 59 2.181 4.267 -11.137 1.00 73.53 H new ATOM 0 HA2 GLY A 59 1.601 2.769 -9.281 1.00 22.14 H new ATOM 0 HA3 GLY A 59 0.975 4.162 -8.422 1.00 22.14 H new ATOM 921 N ASP A 60 -0.739 4.557 -10.735 1.00 62.00 N ATOM 922 CA ASP A 60 -2.033 4.482 -11.403 1.00 12.05 C ATOM 923 C ASP A 60 -1.974 3.535 -12.597 1.00 54.44 C ATOM 924 O ASP A 60 -0.902 3.063 -12.976 1.00 12.30 O ATOM 925 CB ASP A 60 -2.477 5.873 -11.859 1.00 63.32 C ATOM 926 CG ASP A 60 -3.132 6.666 -10.746 1.00 3.22 C ATOM 927 OD1 ASP A 60 -3.365 6.089 -9.663 1.00 71.42 O ATOM 928 OD2 ASP A 60 -3.410 7.865 -10.957 1.00 30.04 O ATOM 0 H ASP A 60 -0.266 5.456 -10.832 1.00 62.00 H new ATOM 0 HA ASP A 60 -2.760 4.093 -10.690 1.00 12.05 H new ATOM 0 HB2 ASP A 60 -1.613 6.423 -12.233 1.00 63.32 H new ATOM 0 HB3 ASP A 60 -3.175 5.774 -12.690 1.00 63.32 H new ATOM 933 N TYR A 61 -3.133 3.262 -13.186 1.00 72.41 N ATOM 934 CA TYR A 61 -3.214 2.368 -14.336 1.00 12.53 C ATOM 935 C TYR A 61 -4.056 2.987 -15.448 1.00 22.11 C ATOM 936 O TYR A 61 -4.994 3.741 -15.187 1.00 11.13 O ATOM 937 CB TYR A 61 -3.808 1.021 -13.921 1.00 11.44 C ATOM 938 CG TYR A 61 -3.218 0.467 -12.644 1.00 11.24 C ATOM 939 CD1 TYR A 61 -3.702 0.863 -11.403 1.00 11.13 C ATOM 940 CD2 TYR A 61 -2.176 -0.451 -12.677 1.00 72.25 C ATOM 941 CE1 TYR A 61 -3.166 0.360 -10.233 1.00 42.11 C ATOM 942 CE2 TYR A 61 -1.635 -0.961 -11.513 1.00 42.42 C ATOM 943 CZ TYR A 61 -2.133 -0.552 -10.294 1.00 3.24 C ATOM 944 OH TYR A 61 -1.595 -1.056 -9.131 1.00 51.34 O ATOM 0 H TYR A 61 -4.029 3.647 -12.887 1.00 72.41 H new ATOM 0 HA TYR A 61 -2.204 2.211 -14.714 1.00 12.53 H new ATOM 0 HB2 TYR A 61 -4.885 1.131 -13.796 1.00 11.44 H new ATOM 0 HB3 TYR A 61 -3.653 0.302 -14.725 1.00 11.44 H new ATOM 0 HD1 TYR A 61 -4.511 1.576 -11.352 1.00 11.13 H new ATOM 0 HD2 TYR A 61 -1.782 -0.772 -13.630 1.00 72.25 H new ATOM 0 HE1 TYR A 61 -3.553 0.679 -9.277 1.00 42.11 H new ATOM 0 HE2 TYR A 61 -0.827 -1.676 -11.557 1.00 42.42 H new ATOM 0 HH TYR A 61 -0.877 -1.687 -9.349 1.00 51.34 H new ATOM 954 N LEU A 62 -3.714 2.662 -16.690 1.00 22.03 N ATOM 955 CA LEU A 62 -4.437 3.184 -17.844 1.00 32.01 C ATOM 956 C LEU A 62 -4.305 2.246 -19.039 1.00 71.33 C ATOM 957 O LEU A 62 -3.281 1.587 -19.214 1.00 41.12 O ATOM 958 CB LEU A 62 -3.915 4.574 -18.212 1.00 31.10 C ATOM 959 CG LEU A 62 -4.976 5.651 -18.441 1.00 74.43 C ATOM 960 CD1 LEU A 62 -5.334 6.335 -17.131 1.00 75.21 C ATOM 961 CD2 LEU A 62 -4.491 6.669 -19.462 1.00 3.52 C ATOM 0 H LEU A 62 -2.941 2.039 -16.923 1.00 22.03 H new ATOM 0 HA LEU A 62 -5.491 3.258 -17.578 1.00 32.01 H new ATOM 0 HB2 LEU A 62 -3.249 4.912 -17.418 1.00 31.10 H new ATOM 0 HB3 LEU A 62 -3.314 4.486 -19.117 1.00 31.10 H new ATOM 0 HG LEU A 62 -5.873 5.172 -18.834 1.00 74.43 H new ATOM 0 HD11 LEU A 62 -6.090 7.098 -17.314 1.00 75.21 H new ATOM 0 HD12 LEU A 62 -5.725 5.597 -16.430 1.00 75.21 H new ATOM 0 HD13 LEU A 62 -4.444 6.801 -16.708 1.00 75.21 H new ATOM 0 HD21 LEU A 62 -5.259 7.428 -19.612 1.00 3.52 H new ATOM 0 HD22 LEU A 62 -3.579 7.143 -19.099 1.00 3.52 H new ATOM 0 HD23 LEU A 62 -4.287 6.167 -20.408 1.00 3.52 H new ATOM 973 N GLY A 63 -5.349 2.192 -19.861 1.00 60.22 N ATOM 974 CA GLY A 63 -5.328 1.333 -21.031 1.00 15.20 C ATOM 975 C GLY A 63 -5.895 -0.044 -20.749 1.00 63.30 C ATOM 976 O GLY A 63 -6.036 -0.440 -19.592 1.00 11.33 O ATOM 0 H GLY A 63 -6.208 2.727 -19.738 1.00 60.22 H new ATOM 0 HA2 GLY A 63 -5.900 1.801 -21.832 1.00 15.20 H new ATOM 0 HA3 GLY A 63 -4.303 1.234 -21.387 1.00 15.20 H new ATOM 980 N ARG A 64 -6.221 -0.776 -21.809 1.00 73.50 N ATOM 981 CA ARG A 64 -6.778 -2.117 -21.670 1.00 13.43 C ATOM 982 C ARG A 64 -5.731 -3.087 -21.132 1.00 31.34 C ATOM 983 O ARG A 64 -6.066 -4.100 -20.519 1.00 12.02 O ATOM 984 CB ARG A 64 -7.307 -2.615 -23.016 1.00 0.30 C ATOM 985 CG ARG A 64 -8.814 -2.484 -23.165 1.00 30.14 C ATOM 986 CD ARG A 64 -9.283 -2.961 -24.530 1.00 64.33 C ATOM 987 NE ARG A 64 -10.719 -3.226 -24.555 1.00 4.24 N ATOM 988 CZ ARG A 64 -11.365 -3.674 -25.625 1.00 33.12 C ATOM 989 NH1 ARG A 64 -10.707 -3.907 -26.752 1.00 31.01 N ATOM 990 NH2 ARG A 64 -12.673 -3.891 -25.569 1.00 12.13 N ATOM 0 H ARG A 64 -6.109 -0.464 -22.774 1.00 73.50 H new ATOM 0 HA ARG A 64 -7.603 -2.069 -20.959 1.00 13.43 H new ATOM 0 HB2 ARG A 64 -6.822 -2.057 -23.816 1.00 0.30 H new ATOM 0 HB3 ARG A 64 -7.028 -3.661 -23.142 1.00 0.30 H new ATOM 0 HG2 ARG A 64 -9.309 -3.064 -22.386 1.00 30.14 H new ATOM 0 HG3 ARG A 64 -9.106 -1.443 -23.022 1.00 30.14 H new ATOM 0 HD2 ARG A 64 -9.041 -2.208 -25.280 1.00 64.33 H new ATOM 0 HD3 ARG A 64 -8.743 -3.868 -24.802 1.00 64.33 H new ATOM 0 HE ARG A 64 -11.255 -3.058 -23.704 1.00 4.24 H new ATOM 0 HH11 ARG A 64 -9.702 -3.742 -26.799 1.00 31.01 H new ATOM 0 HH12 ARG A 64 -11.206 -4.251 -27.572 1.00 31.01 H new ATOM 0 HH21 ARG A 64 -13.183 -3.714 -24.704 1.00 12.13 H new ATOM 0 HH22 ARG A 64 -13.169 -4.235 -26.391 1.00 12.13 H new ATOM 1004 N ASN A 65 -4.462 -2.770 -21.366 1.00 61.32 N ATOM 1005 CA ASN A 65 -3.366 -3.615 -20.906 1.00 44.02 C ATOM 1006 C ASN A 65 -3.020 -3.313 -19.451 1.00 45.34 C ATOM 1007 O ASN A 65 -2.083 -3.885 -18.894 1.00 31.15 O ATOM 1008 CB ASN A 65 -2.132 -3.411 -21.788 1.00 73.05 C ATOM 1009 CG ASN A 65 -2.430 -3.634 -23.259 1.00 22.13 C ATOM 1010 OD1 ASN A 65 -2.006 -2.857 -24.114 1.00 51.31 O ATOM 1011 ND2 ASN A 65 -3.162 -4.700 -23.559 1.00 35.23 N ATOM 0 H ASN A 65 -4.167 -1.934 -21.871 1.00 61.32 H new ATOM 0 HA ASN A 65 -3.687 -4.654 -20.977 1.00 44.02 H new ATOM 0 HB2 ASN A 65 -1.751 -2.400 -21.646 1.00 73.05 H new ATOM 0 HB3 ASN A 65 -1.345 -4.096 -21.471 1.00 73.05 H new ATOM 0 HD21 ASN A 65 -3.394 -4.902 -24.531 1.00 35.23 H new ATOM 0 HD22 ASN A 65 -3.492 -5.317 -22.817 1.00 35.23 H new ATOM 1018 N ASP A 66 -3.782 -2.411 -18.843 1.00 44.40 N ATOM 1019 CA ASP A 66 -3.557 -2.033 -17.452 1.00 74.04 C ATOM 1020 C ASP A 66 -2.187 -1.385 -17.280 1.00 13.35 C ATOM 1021 O ASP A 66 -1.458 -1.693 -16.338 1.00 0.42 O ATOM 1022 CB ASP A 66 -3.674 -3.258 -16.544 1.00 11.11 C ATOM 1023 CG ASP A 66 -3.754 -2.885 -15.077 1.00 13.14 C ATOM 1024 OD1 ASP A 66 -4.644 -2.087 -14.715 1.00 15.12 O ATOM 1025 OD2 ASP A 66 -2.928 -3.392 -14.290 1.00 44.41 O ATOM 0 H ASP A 66 -4.561 -1.928 -19.291 1.00 44.40 H new ATOM 0 HA ASP A 66 -4.320 -1.307 -17.170 1.00 74.04 H new ATOM 0 HB2 ASP A 66 -4.561 -3.828 -16.820 1.00 11.11 H new ATOM 0 HB3 ASP A 66 -2.814 -3.909 -16.704 1.00 11.11 H new ATOM 1030 N GLY A 67 -1.844 -0.485 -18.197 1.00 24.44 N ATOM 1031 CA GLY A 67 -0.562 0.191 -18.128 1.00 45.12 C ATOM 1032 C GLY A 67 -0.341 0.883 -16.798 1.00 33.04 C ATOM 1033 O GLY A 67 -0.911 1.943 -16.538 1.00 75.11 O ATOM 0 H GLY A 67 -2.431 -0.212 -18.986 1.00 24.44 H new ATOM 0 HA2 GLY A 67 0.236 -0.533 -18.294 1.00 45.12 H new ATOM 0 HA3 GLY A 67 -0.499 0.925 -18.931 1.00 45.12 H new ATOM 1037 N LYS A 68 0.487 0.282 -15.950 1.00 40.11 N ATOM 1038 CA LYS A 68 0.782 0.846 -14.638 1.00 72.12 C ATOM 1039 C LYS A 68 1.962 1.809 -14.713 1.00 1.24 C ATOM 1040 O LYS A 68 3.055 1.436 -15.139 1.00 51.15 O ATOM 1041 CB LYS A 68 1.084 -0.271 -13.636 1.00 72.05 C ATOM 1042 CG LYS A 68 1.417 0.235 -12.244 1.00 32.24 C ATOM 1043 CD LYS A 68 2.144 -0.820 -11.426 1.00 52.12 C ATOM 1044 CE LYS A 68 3.562 -1.036 -11.931 1.00 23.03 C ATOM 1045 NZ LYS A 68 4.314 -1.998 -11.078 1.00 12.24 N ATOM 0 H LYS A 68 0.966 -0.596 -16.148 1.00 40.11 H new ATOM 0 HA LYS A 68 -0.095 1.399 -14.302 1.00 72.12 H new ATOM 0 HB2 LYS A 68 0.222 -0.936 -13.575 1.00 72.05 H new ATOM 0 HB3 LYS A 68 1.919 -0.865 -14.007 1.00 72.05 H new ATOM 0 HG2 LYS A 68 2.036 1.129 -12.319 1.00 32.24 H new ATOM 0 HG3 LYS A 68 0.499 0.525 -11.732 1.00 32.24 H new ATOM 0 HD2 LYS A 68 2.171 -0.516 -10.380 1.00 52.12 H new ATOM 0 HD3 LYS A 68 1.594 -1.760 -11.470 1.00 52.12 H new ATOM 0 HE2 LYS A 68 3.530 -1.407 -12.955 1.00 23.03 H new ATOM 0 HE3 LYS A 68 4.089 -0.082 -11.954 1.00 23.03 H new ATOM 0 HZ1 LYS A 68 5.276 -2.118 -11.455 1.00 12.24 H new ATOM 0 HZ2 LYS A 68 4.367 -1.632 -10.106 1.00 12.24 H new ATOM 0 HZ3 LYS A 68 3.825 -2.916 -11.077 1.00 12.24 H new ATOM 1059 N VAL A 69 1.735 3.050 -14.293 1.00 71.12 N ATOM 1060 CA VAL A 69 2.780 4.066 -14.310 1.00 4.10 C ATOM 1061 C VAL A 69 3.897 3.722 -13.331 1.00 11.15 C ATOM 1062 O VAL A 69 3.647 3.468 -12.152 1.00 63.42 O ATOM 1063 CB VAL A 69 2.217 5.457 -13.962 1.00 22.34 C ATOM 1064 CG1 VAL A 69 3.299 6.519 -14.090 1.00 73.51 C ATOM 1065 CG2 VAL A 69 1.027 5.786 -14.849 1.00 54.42 C ATOM 0 H VAL A 69 0.836 3.375 -13.937 1.00 71.12 H new ATOM 0 HA VAL A 69 3.183 4.089 -15.323 1.00 4.10 H new ATOM 0 HB VAL A 69 1.876 5.444 -12.927 1.00 22.34 H new ATOM 0 HG11 VAL A 69 2.882 7.495 -13.840 1.00 73.51 H new ATOM 0 HG12 VAL A 69 4.117 6.289 -13.408 1.00 73.51 H new ATOM 0 HG13 VAL A 69 3.673 6.536 -15.114 1.00 73.51 H new ATOM 0 HG21 VAL A 69 0.642 6.772 -14.590 1.00 54.42 H new ATOM 0 HG22 VAL A 69 1.339 5.782 -15.893 1.00 54.42 H new ATOM 0 HG23 VAL A 69 0.246 5.041 -14.701 1.00 54.42 H new ATOM 1075 N VAL A 70 5.130 3.717 -13.826 1.00 24.41 N ATOM 1076 CA VAL A 70 6.287 3.406 -12.994 1.00 71.52 C ATOM 1077 C VAL A 70 7.311 4.534 -13.033 1.00 1.12 C ATOM 1078 O VAL A 70 8.013 4.784 -12.054 1.00 33.54 O ATOM 1079 CB VAL A 70 6.964 2.097 -13.442 1.00 23.31 C ATOM 1080 CG1 VAL A 70 5.975 0.942 -13.400 1.00 23.22 C ATOM 1081 CG2 VAL A 70 7.555 2.253 -14.835 1.00 25.41 C ATOM 0 H VAL A 70 5.354 3.925 -14.799 1.00 24.41 H new ATOM 0 HA VAL A 70 5.921 3.287 -11.974 1.00 71.52 H new ATOM 0 HB VAL A 70 7.776 1.873 -12.750 1.00 23.31 H new ATOM 0 HG11 VAL A 70 6.472 0.026 -13.720 1.00 23.22 H new ATOM 0 HG12 VAL A 70 5.604 0.817 -12.383 1.00 23.22 H new ATOM 0 HG13 VAL A 70 5.140 1.154 -14.067 1.00 23.22 H new ATOM 0 HG21 VAL A 70 8.029 1.319 -15.136 1.00 25.41 H new ATOM 0 HG22 VAL A 70 6.762 2.501 -15.541 1.00 25.41 H new ATOM 0 HG23 VAL A 70 8.297 3.051 -14.828 1.00 25.41 H new ATOM 1091 N GLY A 71 7.391 5.215 -14.172 1.00 62.23 N ATOM 1092 CA GLY A 71 8.332 6.310 -14.318 1.00 24.33 C ATOM 1093 C GLY A 71 7.736 7.493 -15.054 1.00 62.12 C ATOM 1094 O GLY A 71 6.942 7.320 -15.979 1.00 53.21 O ATOM 0 H GLY A 71 6.821 5.028 -14.997 1.00 62.23 H new ATOM 0 HA2 GLY A 71 8.667 6.631 -13.332 1.00 24.33 H new ATOM 0 HA3 GLY A 71 9.213 5.959 -14.855 1.00 24.33 H new ATOM 1098 N ILE A 72 8.118 8.697 -14.643 1.00 42.21 N ATOM 1099 CA ILE A 72 7.615 9.913 -15.270 1.00 41.13 C ATOM 1100 C ILE A 72 8.716 10.960 -15.401 1.00 11.33 C ATOM 1101 O ILE A 72 9.241 11.452 -14.402 1.00 33.24 O ATOM 1102 CB ILE A 72 6.442 10.514 -14.473 1.00 63.12 C ATOM 1103 CG1 ILE A 72 5.287 9.514 -14.392 1.00 51.22 C ATOM 1104 CG2 ILE A 72 5.980 11.815 -15.111 1.00 40.41 C ATOM 1105 CD1 ILE A 72 4.174 9.950 -13.465 1.00 42.40 C ATOM 0 H ILE A 72 8.774 8.857 -13.879 1.00 42.21 H new ATOM 0 HA ILE A 72 7.263 9.633 -16.263 1.00 41.13 H new ATOM 0 HB ILE A 72 6.782 10.730 -13.460 1.00 63.12 H new ATOM 0 HG12 ILE A 72 4.878 9.362 -15.391 1.00 51.22 H new ATOM 0 HG13 ILE A 72 5.673 8.552 -14.056 1.00 51.22 H new ATOM 0 HG21 ILE A 72 5.151 12.228 -14.536 1.00 40.41 H new ATOM 0 HG22 ILE A 72 6.804 12.528 -15.121 1.00 40.41 H new ATOM 0 HG23 ILE A 72 5.653 11.623 -16.133 1.00 40.41 H new ATOM 0 HD11 ILE A 72 3.390 9.193 -13.457 1.00 42.40 H new ATOM 0 HD12 ILE A 72 4.568 10.074 -12.456 1.00 42.40 H new ATOM 0 HD13 ILE A 72 3.761 10.897 -13.813 1.00 42.40 H new ATOM 1117 N SER A 73 9.060 11.298 -16.639 1.00 53.43 N ATOM 1118 CA SER A 73 10.100 12.286 -16.901 1.00 53.42 C ATOM 1119 C SER A 73 9.524 13.505 -17.617 1.00 32.25 C ATOM 1120 O SER A 73 8.316 13.596 -17.834 1.00 1.34 O ATOM 1121 CB SER A 73 11.219 11.669 -17.742 1.00 10.21 C ATOM 1122 OG SER A 73 12.044 10.829 -16.954 1.00 63.30 O ATOM 0 H SER A 73 8.634 10.902 -17.477 1.00 53.43 H new ATOM 0 HA SER A 73 10.510 12.608 -15.944 1.00 53.42 H new ATOM 0 HB2 SER A 73 10.788 11.095 -18.562 1.00 10.21 H new ATOM 0 HB3 SER A 73 11.821 12.460 -18.189 1.00 10.21 H new ATOM 0 HG SER A 73 12.750 10.445 -17.514 1.00 63.30 H new ATOM 1128 N GLU A 74 10.398 14.438 -17.980 1.00 1.02 N ATOM 1129 CA GLU A 74 9.977 15.651 -18.670 1.00 14.51 C ATOM 1130 C GLU A 74 10.039 15.466 -20.183 1.00 50.33 C ATOM 1131 O GLU A 74 10.759 16.182 -20.878 1.00 54.41 O ATOM 1132 CB GLU A 74 10.855 16.833 -18.253 1.00 11.10 C ATOM 1133 CG GLU A 74 12.343 16.576 -18.423 1.00 74.53 C ATOM 1134 CD GLU A 74 13.190 17.771 -18.035 1.00 10.54 C ATOM 1135 OE1 GLU A 74 13.169 18.151 -16.845 1.00 23.32 O ATOM 1136 OE2 GLU A 74 13.873 18.328 -18.919 1.00 41.03 O ATOM 0 H GLU A 74 11.402 14.377 -17.808 1.00 1.02 H new ATOM 0 HA GLU A 74 8.944 15.858 -18.389 1.00 14.51 H new ATOM 0 HB2 GLU A 74 10.576 17.707 -18.842 1.00 11.10 H new ATOM 0 HB3 GLU A 74 10.653 17.074 -17.209 1.00 11.10 H new ATOM 0 HG2 GLU A 74 12.631 15.718 -17.815 1.00 74.53 H new ATOM 0 HG3 GLU A 74 12.546 16.313 -19.461 1.00 74.53 H new ATOM 1143 N GLY A 75 9.279 14.499 -20.687 1.00 70.42 N ATOM 1144 CA GLY A 75 9.262 14.235 -22.114 1.00 45.43 C ATOM 1145 C GLY A 75 8.918 12.794 -22.434 1.00 52.31 C ATOM 1146 O GLY A 75 8.554 12.471 -23.565 1.00 40.00 O ATOM 0 H GLY A 75 8.674 13.893 -20.132 1.00 70.42 H new ATOM 0 HA2 GLY A 75 8.537 14.893 -22.593 1.00 45.43 H new ATOM 0 HA3 GLY A 75 10.238 14.474 -22.536 1.00 45.43 H new ATOM 1150 N LYS A 76 9.034 11.925 -21.436 1.00 75.53 N ATOM 1151 CA LYS A 76 8.732 10.509 -21.616 1.00 1.34 C ATOM 1152 C LYS A 76 8.101 9.924 -20.357 1.00 34.24 C ATOM 1153 O LYS A 76 8.436 10.322 -19.240 1.00 72.55 O ATOM 1154 CB LYS A 76 10.005 9.736 -21.967 1.00 42.12 C ATOM 1155 CG LYS A 76 11.120 9.905 -20.949 1.00 72.53 C ATOM 1156 CD LYS A 76 12.489 9.748 -21.590 1.00 54.42 C ATOM 1157 CE LYS A 76 12.855 10.965 -22.426 1.00 0.44 C ATOM 1158 NZ LYS A 76 13.212 12.135 -21.575 1.00 74.24 N ATOM 0 H LYS A 76 9.335 12.176 -20.494 1.00 75.53 H new ATOM 0 HA LYS A 76 8.020 10.416 -22.436 1.00 1.34 H new ATOM 0 HB2 LYS A 76 9.764 8.677 -22.057 1.00 42.12 H new ATOM 0 HB3 LYS A 76 10.362 10.065 -22.943 1.00 42.12 H new ATOM 0 HG2 LYS A 76 11.045 10.889 -20.486 1.00 72.53 H new ATOM 0 HG3 LYS A 76 11.003 9.169 -20.154 1.00 72.53 H new ATOM 0 HD2 LYS A 76 13.240 9.599 -20.814 1.00 54.42 H new ATOM 0 HD3 LYS A 76 12.498 8.857 -22.218 1.00 54.42 H new ATOM 0 HE2 LYS A 76 13.694 10.720 -23.077 1.00 0.44 H new ATOM 0 HE3 LYS A 76 12.017 11.228 -23.072 1.00 0.44 H new ATOM 0 HZ1 LYS A 76 13.616 12.887 -22.170 1.00 74.24 H new ATOM 0 HZ2 LYS A 76 12.359 12.491 -21.099 1.00 74.24 H new ATOM 0 HZ3 LYS A 76 13.911 11.845 -20.862 1.00 74.24 H new ATOM 1172 N ILE A 77 7.187 8.977 -20.544 1.00 2.13 N ATOM 1173 CA ILE A 77 6.512 8.336 -19.423 1.00 34.24 C ATOM 1174 C ILE A 77 6.675 6.821 -19.476 1.00 23.30 C ATOM 1175 O ILE A 77 6.188 6.165 -20.398 1.00 3.55 O ATOM 1176 CB ILE A 77 5.010 8.678 -19.399 1.00 42.25 C ATOM 1177 CG1 ILE A 77 4.811 10.195 -19.367 1.00 22.14 C ATOM 1178 CG2 ILE A 77 4.336 8.024 -18.203 1.00 2.03 C ATOM 1179 CD1 ILE A 77 5.362 10.850 -18.120 1.00 25.25 C ATOM 0 H ILE A 77 6.897 8.637 -21.461 1.00 2.13 H new ATOM 0 HA ILE A 77 6.978 8.718 -18.515 1.00 34.24 H new ATOM 0 HB ILE A 77 4.549 8.289 -20.307 1.00 42.25 H new ATOM 0 HG12 ILE A 77 5.291 10.635 -20.241 1.00 22.14 H new ATOM 0 HG13 ILE A 77 3.746 10.415 -19.443 1.00 22.14 H new ATOM 0 HG21 ILE A 77 3.275 8.275 -18.201 1.00 2.03 H new ATOM 0 HG22 ILE A 77 4.452 6.942 -18.266 1.00 2.03 H new ATOM 0 HG23 ILE A 77 4.797 8.385 -17.283 1.00 2.03 H new ATOM 0 HD11 ILE A 77 5.186 11.925 -18.165 1.00 25.25 H new ATOM 0 HD12 ILE A 77 4.865 10.438 -17.242 1.00 25.25 H new ATOM 0 HD13 ILE A 77 6.433 10.660 -18.052 1.00 25.25 H new ATOM 1191 N ASP A 78 7.362 6.270 -18.481 1.00 42.12 N ATOM 1192 CA ASP A 78 7.588 4.831 -18.413 1.00 31.05 C ATOM 1193 C ASP A 78 6.455 4.139 -17.661 1.00 24.51 C ATOM 1194 O ASP A 78 6.155 4.481 -16.517 1.00 70.31 O ATOM 1195 CB ASP A 78 8.925 4.535 -17.731 1.00 71.21 C ATOM 1196 CG ASP A 78 10.094 4.606 -18.694 1.00 53.00 C ATOM 1197 OD1 ASP A 78 10.249 5.649 -19.364 1.00 35.13 O ATOM 1198 OD2 ASP A 78 10.854 3.619 -18.777 1.00 42.23 O ATOM 0 H ASP A 78 7.772 6.798 -17.711 1.00 42.12 H new ATOM 0 HA ASP A 78 7.615 4.443 -19.431 1.00 31.05 H new ATOM 0 HB2 ASP A 78 9.082 5.247 -16.921 1.00 71.21 H new ATOM 0 HB3 ASP A 78 8.888 3.543 -17.281 1.00 71.21 H new ATOM 1203 N VAL A 79 5.829 3.163 -18.312 1.00 2.31 N ATOM 1204 CA VAL A 79 4.730 2.423 -17.705 1.00 75.55 C ATOM 1205 C VAL A 79 4.791 0.945 -18.077 1.00 42.21 C ATOM 1206 O VAL A 79 5.299 0.583 -19.139 1.00 33.32 O ATOM 1207 CB VAL A 79 3.365 2.992 -18.135 1.00 54.22 C ATOM 1208 CG1 VAL A 79 3.308 4.491 -17.883 1.00 0.10 C ATOM 1209 CG2 VAL A 79 3.094 2.679 -19.599 1.00 60.11 C ATOM 0 H VAL A 79 6.065 2.867 -19.259 1.00 2.31 H new ATOM 0 HA VAL A 79 4.836 2.528 -16.625 1.00 75.55 H new ATOM 0 HB VAL A 79 2.588 2.517 -17.536 1.00 54.22 H new ATOM 0 HG11 VAL A 79 2.336 4.875 -18.193 1.00 0.10 H new ATOM 0 HG12 VAL A 79 3.454 4.687 -16.821 1.00 0.10 H new ATOM 0 HG13 VAL A 79 4.093 4.986 -18.455 1.00 0.10 H new ATOM 0 HG21 VAL A 79 2.125 3.089 -19.885 1.00 60.11 H new ATOM 0 HG22 VAL A 79 3.873 3.125 -20.217 1.00 60.11 H new ATOM 0 HG23 VAL A 79 3.089 1.599 -19.745 1.00 60.11 H new ATOM 1219 N ILE A 80 4.271 0.097 -17.196 1.00 50.25 N ATOM 1220 CA ILE A 80 4.265 -1.341 -17.433 1.00 65.10 C ATOM 1221 C ILE A 80 2.911 -1.807 -17.957 1.00 2.13 C ATOM 1222 O ILE A 80 1.897 -1.696 -17.268 1.00 64.12 O ATOM 1223 CB ILE A 80 4.604 -2.124 -16.151 1.00 2.14 C ATOM 1224 CG1 ILE A 80 6.120 -2.199 -15.958 1.00 42.41 C ATOM 1225 CG2 ILE A 80 4.003 -3.520 -16.208 1.00 34.11 C ATOM 1226 CD1 ILE A 80 6.811 -3.111 -16.948 1.00 13.05 C ATOM 0 H ILE A 80 3.849 0.381 -16.312 1.00 50.25 H new ATOM 0 HA ILE A 80 5.030 -1.540 -18.184 1.00 65.10 H new ATOM 0 HB ILE A 80 4.174 -1.599 -15.298 1.00 2.14 H new ATOM 0 HG12 ILE A 80 6.539 -1.197 -16.046 1.00 42.41 H new ATOM 0 HG13 ILE A 80 6.333 -2.546 -14.947 1.00 42.41 H new ATOM 0 HG21 ILE A 80 4.252 -4.061 -15.295 1.00 34.11 H new ATOM 0 HG22 ILE A 80 2.920 -3.446 -16.303 1.00 34.11 H new ATOM 0 HG23 ILE A 80 4.407 -4.055 -17.068 1.00 34.11 H new ATOM 0 HD11 ILE A 80 7.883 -3.115 -16.752 1.00 13.05 H new ATOM 0 HD12 ILE A 80 6.419 -4.123 -16.845 1.00 13.05 H new ATOM 0 HD13 ILE A 80 6.629 -2.753 -17.961 1.00 13.05 H new ATOM 1238 N GLU A 81 2.903 -2.330 -19.179 1.00 4.01 N ATOM 1239 CA GLU A 81 1.673 -2.814 -19.794 1.00 41.22 C ATOM 1240 C GLU A 81 1.653 -4.339 -19.843 1.00 55.11 C ATOM 1241 O GLU A 81 2.701 -4.983 -19.891 1.00 51.15 O ATOM 1242 CB GLU A 81 1.525 -2.245 -21.207 1.00 64.20 C ATOM 1243 CG GLU A 81 1.804 -0.754 -21.295 1.00 72.12 C ATOM 1244 CD GLU A 81 1.830 -0.249 -22.725 1.00 23.22 C ATOM 1245 OE1 GLU A 81 1.753 -1.085 -23.650 1.00 11.31 O ATOM 1246 OE2 GLU A 81 1.929 0.980 -22.919 1.00 14.43 O ATOM 0 H GLU A 81 3.734 -2.429 -19.762 1.00 4.01 H new ATOM 0 HA GLU A 81 0.835 -2.476 -19.185 1.00 41.22 H new ATOM 0 HB2 GLU A 81 2.205 -2.773 -21.875 1.00 64.20 H new ATOM 0 HB3 GLU A 81 0.513 -2.438 -21.563 1.00 64.20 H new ATOM 0 HG2 GLU A 81 1.041 -0.212 -20.736 1.00 72.12 H new ATOM 0 HG3 GLU A 81 2.761 -0.539 -20.820 1.00 72.12 H new ATOM 1253 N ILE A 82 0.452 -4.909 -19.829 1.00 65.15 N ATOM 1254 CA ILE A 82 0.295 -6.358 -19.873 1.00 0.43 C ATOM 1255 C ILE A 82 0.097 -6.847 -21.304 1.00 3.55 C ATOM 1256 O ILE A 82 -0.789 -6.375 -22.015 1.00 55.24 O ATOM 1257 CB ILE A 82 -0.897 -6.820 -19.015 1.00 34.13 C ATOM 1258 CG1 ILE A 82 -0.756 -6.299 -17.583 1.00 60.20 C ATOM 1259 CG2 ILE A 82 -0.999 -8.338 -19.024 1.00 74.12 C ATOM 1260 CD1 ILE A 82 0.506 -6.766 -16.892 1.00 31.31 C ATOM 0 H ILE A 82 -0.425 -4.390 -19.788 1.00 65.15 H new ATOM 0 HA ILE A 82 1.212 -6.787 -19.469 1.00 0.43 H new ATOM 0 HB ILE A 82 -1.813 -6.411 -19.442 1.00 34.13 H new ATOM 0 HG12 ILE A 82 -0.770 -5.209 -17.598 1.00 60.20 H new ATOM 0 HG13 ILE A 82 -1.620 -6.621 -17.001 1.00 60.20 H new ATOM 0 HG21 ILE A 82 -1.846 -8.649 -18.413 1.00 74.12 H new ATOM 0 HG22 ILE A 82 -1.141 -8.687 -20.047 1.00 74.12 H new ATOM 0 HG23 ILE A 82 -0.082 -8.767 -18.619 1.00 74.12 H new ATOM 0 HD11 ILE A 82 0.540 -6.359 -15.882 1.00 31.31 H new ATOM 0 HD12 ILE A 82 0.513 -7.855 -16.845 1.00 31.31 H new ATOM 0 HD13 ILE A 82 1.376 -6.421 -17.451 1.00 31.31 H new ATOM 1272 N VAL A 83 0.929 -7.797 -21.719 1.00 11.14 N ATOM 1273 CA VAL A 83 0.844 -8.353 -23.064 1.00 1.12 C ATOM 1274 C VAL A 83 0.845 -9.877 -23.029 1.00 71.15 C ATOM 1275 O VAL A 83 1.651 -10.507 -22.345 1.00 0.05 O ATOM 1276 CB VAL A 83 2.011 -7.870 -23.945 1.00 51.44 C ATOM 1277 CG1 VAL A 83 3.345 -8.253 -23.323 1.00 71.14 C ATOM 1278 CG2 VAL A 83 1.886 -8.437 -25.351 1.00 41.24 C ATOM 0 H VAL A 83 1.669 -8.198 -21.143 1.00 11.14 H new ATOM 0 HA VAL A 83 -0.095 -8.003 -23.493 1.00 1.12 H new ATOM 0 HB VAL A 83 1.968 -6.783 -24.011 1.00 51.44 H new ATOM 0 HG11 VAL A 83 4.157 -7.903 -23.960 1.00 71.14 H new ATOM 0 HG12 VAL A 83 3.433 -7.794 -22.338 1.00 71.14 H new ATOM 0 HG13 VAL A 83 3.403 -9.337 -23.224 1.00 71.14 H new ATOM 0 HG21 VAL A 83 2.719 -8.086 -25.960 1.00 41.24 H new ATOM 0 HG22 VAL A 83 1.903 -9.526 -25.307 1.00 41.24 H new ATOM 0 HG23 VAL A 83 0.947 -8.106 -25.795 1.00 41.24 H new ATOM 1288 N PRO A 84 -0.080 -10.486 -23.786 1.00 63.44 N ATOM 1289 CA PRO A 84 -0.206 -11.945 -23.861 1.00 0.02 C ATOM 1290 C PRO A 84 0.963 -12.591 -24.596 1.00 23.31 C ATOM 1291 O PRO A 84 1.572 -11.979 -25.474 1.00 14.02 O ATOM 1292 CB PRO A 84 -1.507 -12.149 -24.641 1.00 62.13 C ATOM 1293 CG PRO A 84 -1.659 -10.910 -25.454 1.00 14.21 C ATOM 1294 CD PRO A 84 -1.073 -9.798 -24.628 1.00 62.43 C ATOM 0 HA PRO A 84 -0.209 -12.405 -22.873 1.00 0.02 H new ATOM 0 HB2 PRO A 84 -1.454 -13.034 -25.275 1.00 62.13 H new ATOM 0 HB3 PRO A 84 -2.354 -12.288 -23.969 1.00 62.13 H new ATOM 0 HG2 PRO A 84 -1.140 -11.003 -26.408 1.00 14.21 H new ATOM 0 HG3 PRO A 84 -2.708 -10.718 -25.680 1.00 14.21 H new ATOM 0 HD2 PRO A 84 -0.610 -9.034 -25.253 1.00 62.43 H new ATOM 0 HD3 PRO A 84 -1.834 -9.300 -24.027 1.00 62.43 H new ATOM 1302 N ASP A 85 1.272 -13.831 -24.232 1.00 60.02 N ATOM 1303 CA ASP A 85 2.368 -14.561 -24.859 1.00 30.13 C ATOM 1304 C ASP A 85 1.894 -15.276 -26.120 1.00 73.02 C ATOM 1305 O ASP A 85 2.456 -15.092 -27.199 1.00 10.12 O ATOM 1306 CB ASP A 85 2.962 -15.573 -23.877 1.00 42.52 C ATOM 1307 CG ASP A 85 4.190 -15.037 -23.166 1.00 75.13 C ATOM 1308 OD1 ASP A 85 4.310 -13.800 -23.040 1.00 62.32 O ATOM 1309 OD2 ASP A 85 5.029 -15.855 -22.735 1.00 51.23 O ATOM 0 H ASP A 85 0.779 -14.351 -23.506 1.00 60.02 H new ATOM 0 HA ASP A 85 3.138 -13.842 -25.139 1.00 30.13 H new ATOM 0 HB2 ASP A 85 2.208 -15.844 -23.139 1.00 42.52 H new ATOM 0 HB3 ASP A 85 3.225 -16.484 -24.414 1.00 42.52 H new ATOM 1314 N GLY A 86 0.855 -16.094 -25.976 1.00 42.21 N ATOM 1315 CA GLY A 86 0.324 -16.825 -27.111 1.00 73.04 C ATOM 1316 C GLY A 86 -0.411 -18.084 -26.697 1.00 73.43 C ATOM 1317 O GLY A 86 -1.213 -18.622 -27.461 1.00 0.54 O ATOM 0 H GLY A 86 0.372 -16.263 -25.094 1.00 42.21 H new ATOM 0 HA2 GLY A 86 -0.354 -16.180 -27.670 1.00 73.04 H new ATOM 0 HA3 GLY A 86 1.140 -17.089 -27.783 1.00 73.04 H new ATOM 1321 N GLU A 87 -0.136 -18.557 -25.486 1.00 32.04 N ATOM 1322 CA GLU A 87 -0.776 -19.763 -24.973 1.00 72.04 C ATOM 1323 C GLU A 87 -1.839 -19.416 -23.935 1.00 11.20 C ATOM 1324 O GLU A 87 -2.785 -20.173 -23.722 1.00 11.11 O ATOM 1325 CB GLU A 87 0.267 -20.699 -24.359 1.00 12.34 C ATOM 1326 CG GLU A 87 1.541 -20.813 -25.178 1.00 51.35 C ATOM 1327 CD GLU A 87 1.311 -21.470 -26.525 1.00 60.43 C ATOM 1328 OE1 GLU A 87 0.646 -20.852 -27.382 1.00 61.14 O ATOM 1329 OE2 GLU A 87 1.797 -22.604 -26.722 1.00 31.12 O ATOM 0 H GLU A 87 0.526 -18.124 -24.842 1.00 32.04 H new ATOM 0 HA GLU A 87 -1.261 -20.269 -25.808 1.00 72.04 H new ATOM 0 HB2 GLU A 87 0.518 -20.343 -23.360 1.00 12.34 H new ATOM 0 HB3 GLU A 87 -0.170 -21.691 -24.244 1.00 12.34 H new ATOM 0 HG2 GLU A 87 1.961 -19.819 -25.330 1.00 51.35 H new ATOM 0 HG3 GLU A 87 2.278 -21.389 -24.618 1.00 51.35 H new ATOM 1336 N GLY A 88 -1.675 -18.264 -23.291 1.00 21.44 N ATOM 1337 CA GLY A 88 -2.626 -17.837 -22.282 1.00 13.42 C ATOM 1338 C GLY A 88 -1.966 -17.083 -21.144 1.00 61.23 C ATOM 1339 O GLY A 88 -2.643 -16.451 -20.334 1.00 65.41 O ATOM 0 H GLY A 88 -0.901 -17.619 -23.450 1.00 21.44 H new ATOM 0 HA2 GLY A 88 -3.381 -17.202 -22.745 1.00 13.42 H new ATOM 0 HA3 GLY A 88 -3.144 -18.709 -21.883 1.00 13.42 H new ATOM 1343 N ASN A 89 -0.640 -17.151 -21.082 1.00 70.44 N ATOM 1344 CA ASN A 89 0.112 -16.472 -20.034 1.00 2.11 C ATOM 1345 C ASN A 89 0.463 -15.047 -20.452 1.00 34.10 C ATOM 1346 O ASN A 89 0.846 -14.802 -21.596 1.00 14.41 O ATOM 1347 CB ASN A 89 1.390 -17.249 -19.709 1.00 14.43 C ATOM 1348 CG ASN A 89 2.424 -17.150 -20.814 1.00 14.44 C ATOM 1349 OD1 ASN A 89 3.259 -16.245 -20.818 1.00 31.30 O ATOM 1350 ND2 ASN A 89 2.371 -18.082 -21.758 1.00 25.13 N ATOM 0 H ASN A 89 -0.064 -17.670 -21.745 1.00 70.44 H new ATOM 0 HA ASN A 89 -0.515 -16.427 -19.143 1.00 2.11 H new ATOM 0 HB2 ASN A 89 1.817 -16.869 -18.781 1.00 14.43 H new ATOM 0 HB3 ASN A 89 1.142 -18.297 -19.540 1.00 14.43 H new ATOM 0 HD21 ASN A 89 3.040 -18.067 -22.528 1.00 25.13 H new ATOM 0 HD22 ASN A 89 1.661 -18.813 -21.713 1.00 25.13 H new ATOM 1357 N TRP A 90 0.329 -14.113 -19.518 1.00 2.23 N ATOM 1358 CA TRP A 90 0.632 -12.712 -19.789 1.00 24.11 C ATOM 1359 C TRP A 90 2.028 -12.351 -19.293 1.00 64.41 C ATOM 1360 O TRP A 90 2.564 -12.997 -18.391 1.00 71.44 O ATOM 1361 CB TRP A 90 -0.407 -11.806 -19.127 1.00 33.52 C ATOM 1362 CG TRP A 90 -1.815 -12.127 -19.528 1.00 55.40 C ATOM 1363 CD1 TRP A 90 -2.583 -13.161 -19.072 1.00 44.54 C ATOM 1364 CD2 TRP A 90 -2.623 -11.409 -20.468 1.00 0.14 C ATOM 1365 NE1 TRP A 90 -3.818 -13.129 -19.672 1.00 54.12 N ATOM 1366 CE2 TRP A 90 -3.869 -12.063 -20.532 1.00 23.44 C ATOM 1367 CE3 TRP A 90 -2.416 -10.276 -21.259 1.00 61.23 C ATOM 1368 CZ2 TRP A 90 -4.900 -11.622 -21.357 1.00 4.02 C ATOM 1369 CZ3 TRP A 90 -3.440 -9.840 -22.078 1.00 1.50 C ATOM 1370 CH2 TRP A 90 -4.669 -10.511 -22.121 1.00 53.42 C ATOM 0 H TRP A 90 0.013 -14.300 -18.566 1.00 2.23 H new ATOM 0 HA TRP A 90 0.600 -12.562 -20.868 1.00 24.11 H new ATOM 0 HB2 TRP A 90 -0.316 -11.892 -18.044 1.00 33.52 H new ATOM 0 HB3 TRP A 90 -0.191 -10.769 -19.384 1.00 33.52 H new ATOM 0 HD1 TRP A 90 -2.266 -13.895 -18.347 1.00 44.54 H new ATOM 0 HE1 TRP A 90 -4.575 -13.792 -19.505 1.00 54.12 H new ATOM 0 HE3 TRP A 90 -1.473 -9.751 -21.231 1.00 61.23 H new ATOM 0 HZ2 TRP A 90 -5.848 -12.138 -21.393 1.00 4.02 H new ATOM 0 HZ3 TRP A 90 -3.290 -8.967 -22.696 1.00 1.50 H new ATOM 0 HH2 TRP A 90 -5.450 -10.144 -22.770 1.00 53.42 H new ATOM 1381 N LEU A 91 2.613 -11.317 -19.887 1.00 1.35 N ATOM 1382 CA LEU A 91 3.948 -10.870 -19.504 1.00 42.33 C ATOM 1383 C LEU A 91 4.000 -9.350 -19.383 1.00 72.14 C ATOM 1384 O LEU A 91 3.157 -8.645 -19.938 1.00 65.32 O ATOM 1385 CB LEU A 91 4.980 -11.347 -20.528 1.00 53.41 C ATOM 1386 CG LEU A 91 5.694 -12.658 -20.200 1.00 72.55 C ATOM 1387 CD1 LEU A 91 6.432 -12.548 -18.875 1.00 74.03 C ATOM 1388 CD2 LEU A 91 4.701 -13.812 -20.166 1.00 44.40 C ATOM 0 H LEU A 91 2.184 -10.772 -20.635 1.00 1.35 H new ATOM 0 HA LEU A 91 4.184 -11.302 -18.531 1.00 42.33 H new ATOM 0 HB2 LEU A 91 4.482 -11.459 -21.491 1.00 53.41 H new ATOM 0 HB3 LEU A 91 5.732 -10.567 -20.647 1.00 53.41 H new ATOM 0 HG LEU A 91 6.425 -12.857 -20.983 1.00 72.55 H new ATOM 0 HD11 LEU A 91 6.934 -13.491 -18.659 1.00 74.03 H new ATOM 0 HD12 LEU A 91 7.171 -11.749 -18.935 1.00 74.03 H new ATOM 0 HD13 LEU A 91 5.721 -12.325 -18.080 1.00 74.03 H new ATOM 0 HD21 LEU A 91 5.227 -14.738 -19.931 1.00 44.40 H new ATOM 0 HD22 LEU A 91 3.946 -13.620 -19.404 1.00 44.40 H new ATOM 0 HD23 LEU A 91 4.219 -13.906 -21.139 1.00 44.40 H new ATOM 1400 N GLU A 92 4.995 -8.853 -18.656 1.00 44.22 N ATOM 1401 CA GLU A 92 5.157 -7.416 -18.464 1.00 71.35 C ATOM 1402 C GLU A 92 5.808 -6.774 -19.686 1.00 75.13 C ATOM 1403 O GLU A 92 6.681 -7.366 -20.321 1.00 31.03 O ATOM 1404 CB GLU A 92 6.000 -7.137 -17.218 1.00 71.33 C ATOM 1405 CG GLU A 92 5.270 -7.416 -15.915 1.00 23.10 C ATOM 1406 CD GLU A 92 5.990 -6.844 -14.709 1.00 45.04 C ATOM 1407 OE1 GLU A 92 7.237 -6.914 -14.675 1.00 60.04 O ATOM 1408 OE2 GLU A 92 5.308 -6.327 -13.800 1.00 44.24 O ATOM 0 H GLU A 92 5.701 -9.423 -18.190 1.00 44.22 H new ATOM 0 HA GLU A 92 4.167 -6.980 -18.329 1.00 71.35 H new ATOM 0 HB2 GLU A 92 6.903 -7.746 -17.257 1.00 71.33 H new ATOM 0 HB3 GLU A 92 6.318 -6.095 -17.231 1.00 71.33 H new ATOM 0 HG2 GLU A 92 4.266 -6.995 -15.968 1.00 23.10 H new ATOM 0 HG3 GLU A 92 5.157 -8.493 -15.789 1.00 23.10 H new ATOM 1415 N ARG A 93 5.375 -5.560 -20.010 1.00 51.11 N ATOM 1416 CA ARG A 93 5.913 -4.838 -21.156 1.00 41.44 C ATOM 1417 C ARG A 93 6.081 -3.355 -20.835 1.00 71.41 C ATOM 1418 O ARG A 93 5.172 -2.547 -21.026 1.00 42.10 O ATOM 1419 CB ARG A 93 4.996 -5.007 -22.369 1.00 42.12 C ATOM 1420 CG ARG A 93 5.731 -4.966 -23.699 1.00 24.21 C ATOM 1421 CD ARG A 93 4.775 -4.730 -24.857 1.00 50.13 C ATOM 1422 NE ARG A 93 5.458 -4.770 -26.148 1.00 34.43 N ATOM 1423 CZ ARG A 93 4.854 -4.531 -27.306 1.00 74.45 C ATOM 1424 NH1 ARG A 93 3.561 -4.236 -27.336 1.00 4.03 N ATOM 1425 NH2 ARG A 93 5.543 -4.587 -28.439 1.00 74.21 N ATOM 0 H ARG A 93 4.653 -5.056 -19.495 1.00 51.11 H new ATOM 0 HA ARG A 93 6.893 -5.255 -21.389 1.00 41.44 H new ATOM 0 HB2 ARG A 93 4.468 -5.957 -22.285 1.00 42.12 H new ATOM 0 HB3 ARG A 93 4.242 -4.220 -22.356 1.00 42.12 H new ATOM 0 HG2 ARG A 93 6.480 -4.175 -23.677 1.00 24.21 H new ATOM 0 HG3 ARG A 93 6.263 -5.905 -23.851 1.00 24.21 H new ATOM 0 HD2 ARG A 93 3.990 -5.486 -24.839 1.00 50.13 H new ATOM 0 HD3 ARG A 93 4.289 -3.762 -24.734 1.00 50.13 H new ATOM 0 HE ARG A 93 6.453 -4.994 -26.160 1.00 34.43 H new ATOM 0 HH11 ARG A 93 3.028 -4.192 -26.468 1.00 4.03 H new ATOM 0 HH12 ARG A 93 3.100 -4.053 -28.227 1.00 4.03 H new ATOM 0 HH21 ARG A 93 6.537 -4.814 -28.421 1.00 74.21 H new ATOM 0 HH22 ARG A 93 5.078 -4.403 -29.328 1.00 74.21 H new ATOM 1439 N PRO A 94 7.270 -2.989 -20.335 1.00 2.03 N ATOM 1440 CA PRO A 94 7.585 -1.603 -19.976 1.00 41.12 C ATOM 1441 C PRO A 94 7.712 -0.702 -21.200 1.00 65.31 C ATOM 1442 O PRO A 94 8.761 -0.658 -21.844 1.00 20.43 O ATOM 1443 CB PRO A 94 8.931 -1.720 -19.256 1.00 13.20 C ATOM 1444 CG PRO A 94 9.543 -2.966 -19.797 1.00 10.41 C ATOM 1445 CD PRO A 94 8.399 -3.900 -20.081 1.00 3.41 C ATOM 0 HA PRO A 94 6.800 -1.150 -19.370 1.00 41.12 H new ATOM 0 HB2 PRO A 94 9.561 -0.852 -19.451 1.00 13.20 H new ATOM 0 HB3 PRO A 94 8.798 -1.781 -18.176 1.00 13.20 H new ATOM 0 HG2 PRO A 94 10.112 -2.759 -20.703 1.00 10.41 H new ATOM 0 HG3 PRO A 94 10.236 -3.404 -19.078 1.00 10.41 H new ATOM 0 HD2 PRO A 94 8.604 -4.536 -20.942 1.00 3.41 H new ATOM 0 HD3 PRO A 94 8.200 -4.561 -19.237 1.00 3.41 H new ATOM 1453 N ARG A 95 6.639 0.015 -21.516 1.00 20.15 N ATOM 1454 CA ARG A 95 6.631 0.914 -22.663 1.00 42.20 C ATOM 1455 C ARG A 95 6.831 2.361 -22.221 1.00 51.03 C ATOM 1456 O ARG A 95 6.448 2.741 -21.115 1.00 54.41 O ATOM 1457 CB ARG A 95 5.316 0.782 -23.433 1.00 32.32 C ATOM 1458 CG ARG A 95 5.143 1.823 -24.526 1.00 54.14 C ATOM 1459 CD ARG A 95 6.179 1.654 -25.626 1.00 23.11 C ATOM 1460 NE ARG A 95 6.362 2.879 -26.399 1.00 3.51 N ATOM 1461 CZ ARG A 95 6.978 2.921 -27.575 1.00 42.41 C ATOM 1462 NH1 ARG A 95 7.467 1.812 -28.111 1.00 62.30 N ATOM 1463 NH2 ARG A 95 7.105 4.075 -28.218 1.00 4.21 N ATOM 0 H ARG A 95 5.763 -0.009 -20.993 1.00 20.15 H new ATOM 0 HA ARG A 95 7.457 0.634 -23.317 1.00 42.20 H new ATOM 0 HB2 ARG A 95 5.264 -0.212 -23.878 1.00 32.32 H new ATOM 0 HB3 ARG A 95 4.485 0.862 -22.732 1.00 32.32 H new ATOM 0 HG2 ARG A 95 4.143 1.742 -24.951 1.00 54.14 H new ATOM 0 HG3 ARG A 95 5.227 2.821 -24.096 1.00 54.14 H new ATOM 0 HD2 ARG A 95 7.131 1.358 -25.185 1.00 23.11 H new ATOM 0 HD3 ARG A 95 5.872 0.848 -26.292 1.00 23.11 H new ATOM 0 HE ARG A 95 5.997 3.750 -26.015 1.00 3.51 H new ATOM 0 HH11 ARG A 95 7.371 0.923 -27.620 1.00 62.30 H new ATOM 0 HH12 ARG A 95 7.940 1.847 -29.014 1.00 62.30 H new ATOM 0 HH21 ARG A 95 6.729 4.931 -27.809 1.00 4.21 H new ATOM 0 HH22 ARG A 95 7.578 4.106 -29.121 1.00 4.21 H new ATOM 1477 N SER A 96 7.434 3.163 -23.093 1.00 71.23 N ATOM 1478 CA SER A 96 7.689 4.567 -22.792 1.00 34.53 C ATOM 1479 C SER A 96 6.899 5.475 -23.729 1.00 2.51 C ATOM 1480 O SER A 96 7.029 5.390 -24.951 1.00 12.12 O ATOM 1481 CB SER A 96 9.183 4.872 -22.906 1.00 64.44 C ATOM 1482 OG SER A 96 9.885 3.778 -23.471 1.00 62.23 O ATOM 0 H SER A 96 7.755 2.864 -24.014 1.00 71.23 H new ATOM 0 HA SER A 96 7.364 4.759 -21.769 1.00 34.53 H new ATOM 0 HB2 SER A 96 9.330 5.760 -23.521 1.00 64.44 H new ATOM 0 HB3 SER A 96 9.588 5.097 -21.919 1.00 64.44 H new ATOM 0 HG SER A 96 10.838 3.999 -23.535 1.00 62.23 H new ATOM 1488 N LEU A 97 6.081 6.346 -23.148 1.00 33.30 N ATOM 1489 CA LEU A 97 5.269 7.272 -23.930 1.00 31.02 C ATOM 1490 C LEU A 97 5.917 8.652 -23.984 1.00 60.31 C ATOM 1491 O LEU A 97 5.885 9.404 -23.009 1.00 65.15 O ATOM 1492 CB LEU A 97 3.864 7.379 -23.333 1.00 65.21 C ATOM 1493 CG LEU A 97 3.273 6.085 -22.774 1.00 35.41 C ATOM 1494 CD1 LEU A 97 1.835 6.303 -22.330 1.00 15.51 C ATOM 1495 CD2 LEU A 97 3.350 4.972 -23.809 1.00 74.01 C ATOM 0 H LEU A 97 5.963 6.430 -22.138 1.00 33.30 H new ATOM 0 HA LEU A 97 5.197 6.884 -24.946 1.00 31.02 H new ATOM 0 HB2 LEU A 97 3.886 8.120 -22.534 1.00 65.21 H new ATOM 0 HB3 LEU A 97 3.192 7.759 -24.102 1.00 65.21 H new ATOM 0 HG LEU A 97 3.859 5.787 -21.905 1.00 35.41 H new ATOM 0 HD11 LEU A 97 1.431 5.371 -21.935 1.00 15.51 H new ATOM 0 HD12 LEU A 97 1.806 7.069 -21.555 1.00 15.51 H new ATOM 0 HD13 LEU A 97 1.236 6.626 -23.182 1.00 15.51 H new ATOM 0 HD21 LEU A 97 2.925 4.059 -23.393 1.00 74.01 H new ATOM 0 HD22 LEU A 97 2.789 5.262 -24.697 1.00 74.01 H new ATOM 0 HD23 LEU A 97 4.392 4.797 -24.079 1.00 74.01 H new ATOM 1507 N THR A 98 6.503 8.980 -25.131 1.00 64.23 N ATOM 1508 CA THR A 98 7.158 10.269 -25.314 1.00 11.12 C ATOM 1509 C THR A 98 6.146 11.356 -25.658 1.00 33.24 C ATOM 1510 O THR A 98 5.041 11.066 -26.118 1.00 53.12 O ATOM 1511 CB THR A 98 8.223 10.206 -26.424 1.00 65.03 C ATOM 1512 OG1 THR A 98 7.591 10.137 -27.707 1.00 53.10 O ATOM 1513 CG2 THR A 98 9.131 9.000 -26.236 1.00 21.15 C ATOM 0 H THR A 98 6.537 8.370 -25.948 1.00 64.23 H new ATOM 0 HA THR A 98 7.643 10.513 -24.369 1.00 11.12 H new ATOM 0 HB THR A 98 8.829 11.110 -26.366 1.00 65.03 H new ATOM 0 HG1 THR A 98 8.276 10.099 -28.407 1.00 53.10 H new ATOM 0 HG21 THR A 98 9.875 8.977 -27.032 1.00 21.15 H new ATOM 0 HG22 THR A 98 9.634 9.070 -25.271 1.00 21.15 H new ATOM 0 HG23 THR A 98 8.536 8.088 -26.269 1.00 21.15 H new ATOM 1521 N LEU A 99 6.529 12.608 -25.432 1.00 22.50 N ATOM 1522 CA LEU A 99 5.654 13.739 -25.719 1.00 5.20 C ATOM 1523 C LEU A 99 5.103 13.655 -27.138 1.00 74.44 C ATOM 1524 O LEU A 99 5.858 13.554 -28.105 1.00 62.12 O ATOM 1525 CB LEU A 99 6.412 15.055 -25.532 1.00 30.13 C ATOM 1526 CG LEU A 99 5.665 16.159 -24.782 1.00 70.41 C ATOM 1527 CD1 LEU A 99 4.290 16.381 -25.392 1.00 14.33 C ATOM 1528 CD2 LEU A 99 5.546 15.814 -23.305 1.00 21.22 C ATOM 0 H LEU A 99 7.439 12.865 -25.051 1.00 22.50 H new ATOM 0 HA LEU A 99 4.817 13.705 -25.021 1.00 5.20 H new ATOM 0 HB2 LEU A 99 7.339 14.845 -24.999 1.00 30.13 H new ATOM 0 HB3 LEU A 99 6.689 15.435 -26.516 1.00 30.13 H new ATOM 0 HG LEU A 99 6.234 17.084 -24.873 1.00 70.41 H new ATOM 0 HD11 LEU A 99 3.773 17.170 -24.846 1.00 14.33 H new ATOM 0 HD12 LEU A 99 4.398 16.674 -26.436 1.00 14.33 H new ATOM 0 HD13 LEU A 99 3.712 15.459 -25.332 1.00 14.33 H new ATOM 0 HD21 LEU A 99 5.012 16.611 -22.787 1.00 21.22 H new ATOM 0 HD22 LEU A 99 4.999 14.878 -23.193 1.00 21.22 H new ATOM 0 HD23 LEU A 99 6.542 15.706 -22.875 1.00 21.22 H new