USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=9 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 Set 1.1: A 73 SER OG : rot 90:sc= -0.255 USER MOD Set 1.2: A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 30 THR OG1 : rot -51:sc= 1.25 USER MOD Single : A 33 MET CE :methyl -115:sc= -4.55! (180deg=-6.88!) USER MOD Single : A 36 THR OG1 : rot -140:sc= 0 USER MOD Single : A 38 SER OG : rot -16:sc= 0.586! USER MOD Single : A 39 ASN : amide:sc= -0.987 K(o=-0.99,f=-7.4!) USER MOD Single : A 41 GLN : amide:sc= -0.551 K(o=-0.55,f=-1.2) 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= -2.99 K(o=-3,f=-5.7) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -1.12 K(o=-1.1,f=-4.4!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -1.95 K(o=-1.9,f=-6.9!) 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 -11.941 5.080 -15.596 1.00 14.42 N ATOM 360 CA PHE A 22 -12.464 5.432 -16.911 1.00 41.10 C ATOM 361 C PHE A 22 -11.412 5.205 -17.993 1.00 20.23 C ATOM 362 O PHE A 22 -11.708 4.662 -19.058 1.00 63.12 O ATOM 363 CB PHE A 22 -12.922 6.892 -16.928 1.00 23.04 C ATOM 364 CG PHE A 22 -13.284 7.391 -18.297 1.00 41.12 C ATOM 365 CD1 PHE A 22 -14.196 6.703 -19.081 1.00 11.11 C ATOM 366 CD2 PHE A 22 -12.712 8.548 -18.801 1.00 65.01 C ATOM 367 CE1 PHE A 22 -14.532 7.160 -20.342 1.00 21.14 C ATOM 368 CE2 PHE A 22 -13.044 9.010 -20.061 1.00 23.33 C ATOM 369 CZ PHE A 22 -13.954 8.314 -20.832 1.00 40.24 C ATOM 0 HA PHE A 22 -13.319 4.788 -17.118 1.00 41.10 H new ATOM 0 HB2 PHE A 22 -13.784 7.001 -16.270 1.00 23.04 H new ATOM 0 HB3 PHE A 22 -12.128 7.518 -16.520 1.00 23.04 H new ATOM 0 HD1 PHE A 22 -14.650 5.799 -18.703 1.00 11.11 H new ATOM 0 HD2 PHE A 22 -11.999 9.095 -18.203 1.00 65.01 H new ATOM 0 HE1 PHE A 22 -15.245 6.615 -20.943 1.00 21.14 H new ATOM 0 HE2 PHE A 22 -12.592 9.914 -20.442 1.00 23.33 H new ATOM 0 HZ PHE A 22 -14.213 8.672 -21.817 1.00 40.24 H new ATOM 379 N LEU A 23 -10.183 5.624 -17.712 1.00 13.32 N ATOM 380 CA LEU A 23 -9.086 5.468 -18.660 1.00 62.32 C ATOM 381 C LEU A 23 -8.458 4.082 -18.543 1.00 55.30 C ATOM 382 O LEU A 23 -7.692 3.663 -19.410 1.00 31.25 O ATOM 383 CB LEU A 23 -8.024 6.543 -18.423 1.00 63.33 C ATOM 384 CG LEU A 23 -8.510 7.991 -18.483 1.00 41.31 C ATOM 385 CD1 LEU A 23 -9.514 8.171 -19.611 1.00 42.22 C ATOM 386 CD2 LEU A 23 -9.121 8.404 -17.152 1.00 1.10 C ATOM 0 H LEU A 23 -9.921 6.074 -16.835 1.00 13.32 H new ATOM 0 HA LEU A 23 -9.489 5.580 -19.666 1.00 62.32 H new ATOM 0 HB2 LEU A 23 -7.575 6.372 -17.445 1.00 63.33 H new ATOM 0 HB3 LEU A 23 -7.234 6.415 -19.163 1.00 63.33 H new ATOM 0 HG LEU A 23 -7.652 8.634 -18.682 1.00 41.31 H new ATOM 0 HD11 LEU A 23 -9.849 9.208 -19.638 1.00 42.22 H new ATOM 0 HD12 LEU A 23 -9.044 7.917 -20.561 1.00 42.22 H new ATOM 0 HD13 LEU A 23 -10.370 7.518 -19.444 1.00 42.22 H new ATOM 0 HD21 LEU A 23 -9.462 9.438 -17.213 1.00 1.10 H new ATOM 0 HD22 LEU A 23 -9.967 7.756 -16.923 1.00 1.10 H new ATOM 0 HD23 LEU A 23 -8.373 8.315 -16.365 1.00 1.10 H new ATOM 398 N GLU A 24 -8.791 3.377 -17.467 1.00 32.43 N ATOM 399 CA GLU A 24 -8.261 2.038 -17.238 1.00 22.31 C ATOM 400 C GLU A 24 -9.071 0.994 -18.001 1.00 34.34 C ATOM 401 O GLU A 24 -8.807 -0.204 -17.906 1.00 40.00 O ATOM 402 CB GLU A 24 -8.266 1.711 -15.743 1.00 55.40 C ATOM 403 CG GLU A 24 -6.918 1.911 -15.071 1.00 72.34 C ATOM 404 CD GLU A 24 -6.981 1.719 -13.569 1.00 0.05 C ATOM 405 OE1 GLU A 24 -8.004 1.197 -13.079 1.00 12.34 O ATOM 406 OE2 GLU A 24 -6.006 2.091 -12.882 1.00 61.14 O ATOM 0 H GLU A 24 -9.425 3.710 -16.741 1.00 32.43 H new ATOM 0 HA GLU A 24 -7.234 2.015 -17.604 1.00 22.31 H new ATOM 0 HB2 GLU A 24 -9.007 2.337 -15.245 1.00 55.40 H new ATOM 0 HB3 GLU A 24 -8.580 0.676 -15.607 1.00 55.40 H new ATOM 0 HG2 GLU A 24 -6.198 1.210 -15.493 1.00 72.34 H new ATOM 0 HG3 GLU A 24 -6.552 2.914 -15.290 1.00 72.34 H new ATOM 413 N GLY A 25 -10.061 1.458 -18.757 1.00 15.30 N ATOM 414 CA GLY A 25 -10.896 0.553 -19.524 1.00 74.25 C ATOM 415 C GLY A 25 -10.534 0.537 -20.996 1.00 54.33 C ATOM 416 O GLY A 25 -11.152 -0.175 -21.788 1.00 33.33 O ATOM 0 H GLY A 25 -10.300 2.445 -18.852 1.00 15.30 H new ATOM 0 HA2 GLY A 25 -10.802 -0.455 -19.119 1.00 74.25 H new ATOM 0 HA3 GLY A 25 -11.940 0.845 -19.413 1.00 74.25 H new ATOM 420 N PHE A 26 -9.531 1.327 -21.366 1.00 30.44 N ATOM 421 CA PHE A 26 -9.089 1.403 -22.753 1.00 53.02 C ATOM 422 C PHE A 26 -7.618 1.020 -22.877 1.00 64.54 C ATOM 423 O PHE A 26 -6.851 1.141 -21.923 1.00 31.42 O ATOM 424 CB PHE A 26 -9.309 2.814 -23.303 1.00 65.25 C ATOM 425 CG PHE A 26 -10.685 3.354 -23.037 1.00 64.14 C ATOM 426 CD1 PHE A 26 -11.791 2.812 -23.672 1.00 24.40 C ATOM 427 CD2 PHE A 26 -10.872 4.403 -22.153 1.00 12.35 C ATOM 428 CE1 PHE A 26 -13.058 3.307 -23.430 1.00 3.35 C ATOM 429 CE2 PHE A 26 -12.137 4.903 -21.906 1.00 32.13 C ATOM 430 CZ PHE A 26 -13.231 4.353 -22.544 1.00 54.34 C ATOM 0 H PHE A 26 -9.009 1.924 -20.724 1.00 30.44 H new ATOM 0 HA PHE A 26 -9.680 0.697 -23.336 1.00 53.02 H new ATOM 0 HB2 PHE A 26 -8.572 3.486 -22.862 1.00 65.25 H new ATOM 0 HB3 PHE A 26 -9.132 2.808 -24.378 1.00 65.25 H new ATOM 0 HD1 PHE A 26 -11.661 1.993 -24.364 1.00 24.40 H new ATOM 0 HD2 PHE A 26 -10.020 4.836 -21.650 1.00 12.35 H new ATOM 0 HE1 PHE A 26 -13.912 2.877 -23.933 1.00 3.35 H new ATOM 0 HE2 PHE A 26 -12.269 5.722 -21.215 1.00 32.13 H new ATOM 0 HZ PHE A 26 -14.221 4.740 -22.351 1.00 54.34 H new ATOM 440 N ASN A 27 -7.231 0.556 -24.061 1.00 60.24 N ATOM 441 CA ASN A 27 -5.852 0.153 -24.311 1.00 43.03 C ATOM 442 C ASN A 27 -4.905 1.341 -24.175 1.00 42.52 C ATOM 443 O ASN A 27 -5.320 2.495 -24.292 1.00 64.02 O ATOM 444 CB ASN A 27 -5.722 -0.459 -25.707 1.00 73.25 C ATOM 445 CG ASN A 27 -5.743 -1.975 -25.678 1.00 63.32 C ATOM 446 OD1 ASN A 27 -6.564 -2.583 -24.991 1.00 52.14 O ATOM 447 ND2 ASN A 27 -4.836 -2.594 -26.426 1.00 2.45 N ATOM 0 H ASN A 27 -7.853 0.450 -24.862 1.00 60.24 H new ATOM 0 HA ASN A 27 -5.578 -0.595 -23.567 1.00 43.03 H new ATOM 0 HB2 ASN A 27 -6.536 -0.099 -26.336 1.00 73.25 H new ATOM 0 HB3 ASN A 27 -4.792 -0.120 -26.164 1.00 73.25 H new ATOM 0 HD21 ASN A 27 -4.801 -3.613 -26.446 1.00 2.45 H new ATOM 0 HD22 ASN A 27 -4.175 -2.050 -26.980 1.00 2.45 H new ATOM 454 N ILE A 28 -3.632 1.051 -23.928 1.00 1.40 N ATOM 455 CA ILE A 28 -2.626 2.096 -23.778 1.00 32.32 C ATOM 456 C ILE A 28 -2.260 2.705 -25.127 1.00 72.51 C ATOM 457 O ILE A 28 -1.833 3.856 -25.204 1.00 21.14 O ATOM 458 CB ILE A 28 -1.349 1.555 -23.108 1.00 12.33 C ATOM 459 CG1 ILE A 28 -0.345 2.688 -22.886 1.00 10.24 C ATOM 460 CG2 ILE A 28 -0.733 0.452 -23.955 1.00 43.30 C ATOM 461 CD1 ILE A 28 -0.845 3.763 -21.946 1.00 23.13 C ATOM 0 H ILE A 28 -3.273 0.102 -23.828 1.00 1.40 H new ATOM 0 HA ILE A 28 -3.063 2.866 -23.142 1.00 32.32 H new ATOM 0 HB ILE A 28 -1.615 1.135 -22.138 1.00 12.33 H new ATOM 0 HG12 ILE A 28 0.580 2.270 -22.488 1.00 10.24 H new ATOM 0 HG13 ILE A 28 -0.102 3.141 -23.847 1.00 10.24 H new ATOM 0 HG21 ILE A 28 0.169 0.080 -23.468 1.00 43.30 H new ATOM 0 HG22 ILE A 28 -1.448 -0.363 -24.067 1.00 43.30 H new ATOM 0 HG23 ILE A 28 -0.478 0.848 -24.938 1.00 43.30 H new ATOM 0 HD11 ILE A 28 -0.082 4.533 -21.835 1.00 23.13 H new ATOM 0 HD12 ILE A 28 -1.753 4.208 -22.352 1.00 23.13 H new ATOM 0 HD13 ILE A 28 -1.060 3.323 -20.972 1.00 23.13 H new ATOM 473 N GLU A 29 -2.433 1.924 -26.189 1.00 63.40 N ATOM 474 CA GLU A 29 -2.121 2.387 -27.536 1.00 52.10 C ATOM 475 C GLU A 29 -3.161 3.395 -28.019 1.00 23.43 C ATOM 476 O GLU A 29 -2.872 4.249 -28.858 1.00 34.31 O ATOM 477 CB GLU A 29 -2.054 1.204 -28.504 1.00 30.23 C ATOM 478 CG GLU A 29 -3.392 0.516 -28.717 1.00 63.44 C ATOM 479 CD GLU A 29 -3.378 -0.431 -29.902 1.00 52.22 C ATOM 480 OE1 GLU A 29 -3.134 0.038 -31.034 1.00 34.54 O ATOM 481 OE2 GLU A 29 -3.611 -1.641 -29.697 1.00 14.51 O ATOM 0 H GLU A 29 -2.787 0.969 -26.143 1.00 63.40 H new ATOM 0 HA GLU A 29 -1.149 2.879 -27.507 1.00 52.10 H new ATOM 0 HB2 GLU A 29 -1.677 1.553 -29.465 1.00 30.23 H new ATOM 0 HB3 GLU A 29 -1.337 0.476 -28.126 1.00 30.23 H new ATOM 0 HG2 GLU A 29 -3.659 -0.038 -27.817 1.00 63.44 H new ATOM 0 HG3 GLU A 29 -4.164 1.270 -28.868 1.00 63.44 H new ATOM 488 N THR A 30 -4.373 3.289 -27.483 1.00 23.53 N ATOM 489 CA THR A 30 -5.456 4.188 -27.859 1.00 32.21 C ATOM 490 C THR A 30 -5.182 5.609 -27.380 1.00 73.14 C ATOM 491 O THR A 30 -5.770 6.568 -27.882 1.00 33.45 O ATOM 492 CB THR A 30 -6.804 3.715 -27.283 1.00 12.02 C ATOM 493 OG1 THR A 30 -6.835 3.931 -25.868 1.00 11.34 O ATOM 494 CG2 THR A 30 -7.033 2.241 -27.581 1.00 21.13 C ATOM 0 H THR A 30 -4.629 2.589 -26.787 1.00 23.53 H new ATOM 0 HA THR A 30 -5.511 4.179 -28.948 1.00 32.21 H new ATOM 0 HB THR A 30 -7.598 4.293 -27.756 1.00 12.02 H new ATOM 0 HG1 THR A 30 -6.027 3.553 -25.462 1.00 11.34 H new ATOM 0 HG21 THR A 30 -7.991 1.930 -27.164 1.00 21.13 H new ATOM 0 HG22 THR A 30 -7.038 2.084 -28.660 1.00 21.13 H new ATOM 0 HG23 THR A 30 -6.234 1.651 -27.133 1.00 21.13 H new ATOM 502 N PHE A 31 -4.286 5.739 -26.408 1.00 64.52 N ATOM 503 CA PHE A 31 -3.934 7.044 -25.862 1.00 21.14 C ATOM 504 C PHE A 31 -2.763 7.656 -26.625 1.00 71.23 C ATOM 505 O PHE A 31 -1.941 6.941 -27.197 1.00 61.01 O ATOM 506 CB PHE A 31 -3.581 6.921 -24.378 1.00 31.22 C ATOM 507 CG PHE A 31 -4.678 6.316 -23.549 1.00 62.31 C ATOM 508 CD1 PHE A 31 -6.008 6.560 -23.851 1.00 63.12 C ATOM 509 CD2 PHE A 31 -4.379 5.503 -22.467 1.00 63.14 C ATOM 510 CE1 PHE A 31 -7.019 6.004 -23.091 1.00 15.22 C ATOM 511 CE2 PHE A 31 -5.386 4.944 -21.704 1.00 11.33 C ATOM 512 CZ PHE A 31 -6.708 5.196 -22.015 1.00 0.20 C ATOM 0 H PHE A 31 -3.790 4.956 -25.982 1.00 64.52 H new ATOM 0 HA PHE A 31 -4.798 7.700 -25.971 1.00 21.14 H new ATOM 0 HB2 PHE A 31 -2.682 6.313 -24.276 1.00 31.22 H new ATOM 0 HB3 PHE A 31 -3.344 7.910 -23.986 1.00 31.22 H new ATOM 0 HD1 PHE A 31 -6.257 7.192 -24.690 1.00 63.12 H new ATOM 0 HD2 PHE A 31 -3.347 5.304 -22.218 1.00 63.14 H new ATOM 0 HE1 PHE A 31 -8.052 6.201 -23.338 1.00 15.22 H new ATOM 0 HE2 PHE A 31 -5.140 4.310 -20.865 1.00 11.33 H new ATOM 0 HZ PHE A 31 -7.497 4.762 -21.418 1.00 0.20 H new ATOM 522 N GLU A 32 -2.696 8.984 -26.630 1.00 33.53 N ATOM 523 CA GLU A 32 -1.627 9.692 -27.324 1.00 75.42 C ATOM 524 C GLU A 32 -1.246 10.967 -26.579 1.00 3.15 C ATOM 525 O GLU A 32 -2.107 11.769 -26.218 1.00 22.23 O ATOM 526 CB GLU A 32 -2.056 10.032 -28.753 1.00 65.12 C ATOM 527 CG GLU A 32 -2.412 8.814 -29.588 1.00 62.44 C ATOM 528 CD GLU A 32 -2.563 9.140 -31.061 1.00 71.04 C ATOM 529 OE1 GLU A 32 -1.814 10.007 -31.558 1.00 23.33 O ATOM 530 OE2 GLU A 32 -3.431 8.528 -31.718 1.00 34.31 O ATOM 0 H GLU A 32 -3.369 9.591 -26.161 1.00 33.53 H new ATOM 0 HA GLU A 32 -0.755 9.038 -27.359 1.00 75.42 H new ATOM 0 HB2 GLU A 32 -2.916 10.700 -28.716 1.00 65.12 H new ATOM 0 HB3 GLU A 32 -1.250 10.577 -29.245 1.00 65.12 H new ATOM 0 HG2 GLU A 32 -1.639 8.055 -29.465 1.00 62.44 H new ATOM 0 HG3 GLU A 32 -3.343 8.384 -29.218 1.00 62.44 H new ATOM 537 N MET A 33 0.051 11.147 -26.351 1.00 63.21 N ATOM 538 CA MET A 33 0.548 12.325 -25.649 1.00 34.30 C ATOM 539 C MET A 33 0.082 13.604 -26.337 1.00 15.13 C ATOM 540 O MET A 33 0.225 13.756 -27.550 1.00 3.31 O ATOM 541 CB MET A 33 2.076 12.297 -25.579 1.00 54.01 C ATOM 542 CG MET A 33 2.670 13.468 -24.814 1.00 43.20 C ATOM 543 SD MET A 33 4.365 13.833 -25.310 1.00 50.20 S ATOM 544 CE MET A 33 4.873 14.936 -23.994 1.00 11.44 C ATOM 0 H MET A 33 0.777 10.492 -26.642 1.00 63.21 H new ATOM 0 HA MET A 33 0.145 12.311 -24.636 1.00 34.30 H new ATOM 0 HB2 MET A 33 2.393 11.367 -25.107 1.00 54.01 H new ATOM 0 HB3 MET A 33 2.478 12.294 -26.592 1.00 54.01 H new ATOM 0 HG2 MET A 33 2.051 14.351 -24.971 1.00 43.20 H new ATOM 0 HG3 MET A 33 2.647 13.249 -23.746 1.00 43.20 H new ATOM 0 HE1 MET A 33 5.066 15.927 -24.404 1.00 11.44 H new ATOM 0 HE2 MET A 33 4.082 15.000 -23.247 1.00 11.44 H new ATOM 0 HE3 MET A 33 5.781 14.553 -23.528 1.00 11.44 H new ATOM 554 N VAL A 34 -0.478 14.521 -25.554 1.00 43.50 N ATOM 555 CA VAL A 34 -0.964 15.788 -26.088 1.00 12.12 C ATOM 556 C VAL A 34 -0.126 16.956 -25.581 1.00 13.35 C ATOM 557 O VAL A 34 -0.080 18.017 -26.202 1.00 15.10 O ATOM 558 CB VAL A 34 -2.439 16.026 -25.712 1.00 4.55 C ATOM 559 CG1 VAL A 34 -2.611 16.028 -24.200 1.00 63.22 C ATOM 560 CG2 VAL A 34 -2.938 17.331 -26.314 1.00 64.03 C ATOM 0 H VAL A 34 -0.606 14.410 -24.548 1.00 43.50 H new ATOM 0 HA VAL A 34 -0.878 15.728 -27.173 1.00 12.12 H new ATOM 0 HB VAL A 34 -3.036 15.211 -26.121 1.00 4.55 H new ATOM 0 HG11 VAL A 34 -3.659 16.198 -23.953 1.00 63.22 H new ATOM 0 HG12 VAL A 34 -2.294 15.066 -23.796 1.00 63.22 H new ATOM 0 HG13 VAL A 34 -2.003 16.822 -23.766 1.00 63.22 H new ATOM 0 HG21 VAL A 34 -3.982 17.483 -26.038 1.00 64.03 H new ATOM 0 HG22 VAL A 34 -2.338 18.159 -25.936 1.00 64.03 H new ATOM 0 HG23 VAL A 34 -2.852 17.287 -27.400 1.00 64.03 H new ATOM 570 N GLY A 35 0.537 16.753 -24.446 1.00 12.40 N ATOM 571 CA GLY A 35 1.365 17.799 -23.874 1.00 21.32 C ATOM 572 C GLY A 35 1.952 17.405 -22.533 1.00 61.50 C ATOM 573 O GLY A 35 1.735 16.291 -22.054 1.00 64.34 O ATOM 0 H GLY A 35 0.515 15.884 -23.913 1.00 12.40 H new ATOM 0 HA2 GLY A 35 2.173 18.037 -24.565 1.00 21.32 H new ATOM 0 HA3 GLY A 35 0.770 18.705 -23.755 1.00 21.32 H new ATOM 577 N THR A 36 2.700 18.320 -21.924 1.00 60.40 N ATOM 578 CA THR A 36 3.323 18.061 -20.632 1.00 13.11 C ATOM 579 C THR A 36 3.357 19.322 -19.776 1.00 42.22 C ATOM 580 O THR A 36 3.443 20.436 -20.296 1.00 70.41 O ATOM 581 CB THR A 36 4.758 17.527 -20.797 1.00 20.12 C ATOM 582 OG1 THR A 36 5.361 18.095 -21.965 1.00 71.51 O ATOM 583 CG2 THR A 36 4.762 16.009 -20.905 1.00 14.55 C ATOM 0 H THR A 36 2.889 19.247 -22.305 1.00 60.40 H new ATOM 0 HA THR A 36 2.717 17.304 -20.135 1.00 13.11 H new ATOM 0 HB THR A 36 5.332 17.814 -19.916 1.00 20.12 H new ATOM 0 HG1 THR A 36 5.888 17.410 -22.427 1.00 71.51 H new ATOM 0 HG21 THR A 36 5.786 15.655 -21.021 1.00 14.55 H new ATOM 0 HG22 THR A 36 4.330 15.579 -20.002 1.00 14.55 H new ATOM 0 HG23 THR A 36 4.173 15.704 -21.770 1.00 14.55 H new ATOM 591 N LEU A 37 3.291 19.141 -18.462 1.00 13.52 N ATOM 592 CA LEU A 37 3.315 20.266 -17.533 1.00 22.13 C ATOM 593 C LEU A 37 4.515 20.172 -16.596 1.00 45.21 C ATOM 594 O LEU A 37 4.873 19.088 -16.136 1.00 65.02 O ATOM 595 CB LEU A 37 2.021 20.309 -16.719 1.00 32.32 C ATOM 596 CG LEU A 37 1.802 21.562 -15.871 1.00 41.41 C ATOM 597 CD1 LEU A 37 2.641 21.503 -14.604 1.00 41.11 C ATOM 598 CD2 LEU A 37 2.132 22.813 -16.673 1.00 72.23 C ATOM 0 H LEU A 37 3.220 18.227 -18.015 1.00 13.52 H new ATOM 0 HA LEU A 37 3.402 21.184 -18.115 1.00 22.13 H new ATOM 0 HB2 LEU A 37 1.180 20.208 -17.405 1.00 32.32 H new ATOM 0 HB3 LEU A 37 2.001 19.441 -16.060 1.00 32.32 H new ATOM 0 HG LEU A 37 0.751 21.604 -15.585 1.00 41.41 H new ATOM 0 HD11 LEU A 37 2.472 22.403 -14.013 1.00 41.11 H new ATOM 0 HD12 LEU A 37 2.357 20.627 -14.020 1.00 41.11 H new ATOM 0 HD13 LEU A 37 3.696 21.436 -14.869 1.00 41.11 H new ATOM 0 HD21 LEU A 37 1.970 23.695 -16.054 1.00 72.23 H new ATOM 0 HD22 LEU A 37 3.174 22.778 -16.990 1.00 72.23 H new ATOM 0 HD23 LEU A 37 1.488 22.863 -17.551 1.00 72.23 H new ATOM 610 N SER A 38 5.132 21.316 -16.316 1.00 52.11 N ATOM 611 CA SER A 38 6.293 21.363 -15.435 1.00 51.12 C ATOM 612 C SER A 38 6.248 22.599 -14.542 1.00 54.31 C ATOM 613 O SER A 38 6.147 23.725 -15.027 1.00 53.31 O ATOM 614 CB SER A 38 7.583 21.361 -16.257 1.00 24.31 C ATOM 615 OG SER A 38 8.035 22.682 -16.501 1.00 21.43 O ATOM 0 H SER A 38 4.847 22.223 -16.687 1.00 52.11 H new ATOM 0 HA SER A 38 6.273 20.477 -14.800 1.00 51.12 H new ATOM 0 HB2 SER A 38 8.354 20.801 -15.728 1.00 24.31 H new ATOM 0 HB3 SER A 38 7.413 20.851 -17.205 1.00 24.31 H new ATOM 0 HG SER A 38 7.311 23.315 -16.315 1.00 21.43 H new ATOM 621 N ASN A 39 6.323 22.379 -13.233 1.00 51.15 N ATOM 622 CA ASN A 39 6.290 23.474 -12.271 1.00 51.41 C ATOM 623 C ASN A 39 6.868 23.037 -10.929 1.00 35.54 C ATOM 624 O ASN A 39 7.377 21.924 -10.794 1.00 14.34 O ATOM 625 CB ASN A 39 4.856 23.973 -12.084 1.00 14.15 C ATOM 626 CG ASN A 39 3.933 22.893 -11.553 1.00 53.01 C ATOM 627 OD1 ASN A 39 4.304 21.721 -11.488 1.00 34.01 O ATOM 628 ND2 ASN A 39 2.722 23.284 -11.171 1.00 45.23 N ATOM 0 H ASN A 39 6.407 21.452 -12.815 1.00 51.15 H new ATOM 0 HA ASN A 39 6.902 24.287 -12.662 1.00 51.41 H new ATOM 0 HB2 ASN A 39 4.855 24.818 -11.396 1.00 14.15 H new ATOM 0 HB3 ASN A 39 4.474 24.337 -13.037 1.00 14.15 H new ATOM 0 HD21 ASN A 39 2.057 22.602 -10.806 1.00 45.23 H new ATOM 0 HD22 ASN A 39 2.457 24.266 -11.243 1.00 45.23 H new ATOM 635 N ALA A 40 6.784 23.919 -9.939 1.00 10.15 N ATOM 636 CA ALA A 40 7.296 23.623 -8.606 1.00 54.21 C ATOM 637 C ALA A 40 6.737 22.304 -8.084 1.00 72.10 C ATOM 638 O ALA A 40 7.403 21.591 -7.334 1.00 44.23 O ATOM 639 CB ALA A 40 6.960 24.757 -7.648 1.00 61.32 C ATOM 0 H ALA A 40 6.366 24.845 -10.034 1.00 10.15 H new ATOM 0 HA ALA A 40 8.380 23.527 -8.673 1.00 54.21 H new ATOM 0 HB1 ALA A 40 7.348 24.523 -6.657 1.00 61.32 H new ATOM 0 HB2 ALA A 40 7.413 25.682 -8.006 1.00 61.32 H new ATOM 0 HB3 ALA A 40 5.878 24.880 -7.594 1.00 61.32 H new ATOM 645 N GLN A 41 5.510 21.986 -8.485 1.00 1.21 N ATOM 646 CA GLN A 41 4.862 20.753 -8.055 1.00 61.43 C ATOM 647 C GLN A 41 5.580 19.534 -8.625 1.00 70.42 C ATOM 648 O GLN A 41 5.650 18.486 -7.984 1.00 70.02 O ATOM 649 CB GLN A 41 3.395 20.744 -8.489 1.00 43.40 C ATOM 650 CG GLN A 41 2.453 21.346 -7.459 1.00 50.31 C ATOM 651 CD GLN A 41 2.432 20.565 -6.160 1.00 42.11 C ATOM 652 OE1 GLN A 41 3.273 20.772 -5.284 1.00 54.03 O ATOM 653 NE2 GLN A 41 1.469 19.661 -6.028 1.00 72.22 N ATOM 0 H GLN A 41 4.945 22.565 -9.107 1.00 1.21 H new ATOM 0 HA GLN A 41 4.912 20.706 -6.967 1.00 61.43 H new ATOM 0 HB2 GLN A 41 3.298 21.295 -9.424 1.00 43.40 H new ATOM 0 HB3 GLN A 41 3.091 19.717 -8.691 1.00 43.40 H new ATOM 0 HG2 GLN A 41 2.753 22.374 -7.255 1.00 50.31 H new ATOM 0 HG3 GLN A 41 1.445 21.383 -7.872 1.00 50.31 H new ATOM 0 HE21 GLN A 41 0.793 19.522 -6.779 1.00 72.22 H new ATOM 0 HE22 GLN A 41 1.405 19.105 -5.175 1.00 72.22 H new ATOM 662 N GLY A 42 6.112 19.678 -9.835 1.00 42.21 N ATOM 663 CA GLY A 42 6.817 18.581 -10.471 1.00 63.13 C ATOM 664 C GLY A 42 6.604 18.547 -11.972 1.00 20.13 C ATOM 665 O GLY A 42 6.253 19.559 -12.580 1.00 65.43 O ATOM 0 H GLY A 42 6.067 20.535 -10.386 1.00 42.21 H new ATOM 0 HA2 GLY A 42 7.883 18.668 -10.260 1.00 63.13 H new ATOM 0 HA3 GLY A 42 6.482 17.638 -10.038 1.00 63.13 H new ATOM 669 N THR A 43 6.817 17.380 -12.572 1.00 44.11 N ATOM 670 CA THR A 43 6.649 17.219 -14.011 1.00 23.22 C ATOM 671 C THR A 43 5.512 16.254 -14.327 1.00 24.33 C ATOM 672 O THR A 43 5.676 15.037 -14.239 1.00 74.53 O ATOM 673 CB THR A 43 7.942 16.706 -14.673 1.00 51.14 C ATOM 674 OG1 THR A 43 9.084 17.292 -14.038 1.00 53.25 O ATOM 675 CG2 THR A 43 7.956 17.036 -16.158 1.00 62.44 C ATOM 0 H THR A 43 7.106 16.532 -12.084 1.00 44.11 H new ATOM 0 HA THR A 43 6.409 18.203 -14.414 1.00 23.22 H new ATOM 0 HB THR A 43 7.979 15.623 -14.557 1.00 51.14 H new ATOM 0 HG1 THR A 43 9.902 16.959 -14.464 1.00 53.25 H new ATOM 0 HG21 THR A 43 8.878 16.664 -16.605 1.00 62.44 H new ATOM 0 HG22 THR A 43 7.102 16.564 -16.644 1.00 62.44 H new ATOM 0 HG23 THR A 43 7.898 18.116 -16.291 1.00 62.44 H new ATOM 683 N PHE A 44 4.360 16.804 -14.695 1.00 44.20 N ATOM 684 CA PHE A 44 3.195 15.991 -15.024 1.00 43.21 C ATOM 685 C PHE A 44 3.098 15.765 -16.530 1.00 13.10 C ATOM 686 O PHE A 44 3.636 16.539 -17.321 1.00 11.22 O ATOM 687 CB PHE A 44 1.918 16.662 -14.514 1.00 3.11 C ATOM 688 CG PHE A 44 1.986 17.058 -13.067 1.00 4.43 C ATOM 689 CD1 PHE A 44 2.597 18.243 -12.687 1.00 72.01 C ATOM 690 CD2 PHE A 44 1.440 16.247 -12.086 1.00 34.30 C ATOM 691 CE1 PHE A 44 2.661 18.609 -11.356 1.00 45.41 C ATOM 692 CE2 PHE A 44 1.501 16.608 -10.753 1.00 51.13 C ATOM 693 CZ PHE A 44 2.112 17.792 -10.388 1.00 72.31 C ATOM 0 H PHE A 44 4.208 17.810 -14.773 1.00 44.20 H new ATOM 0 HA PHE A 44 3.308 15.023 -14.536 1.00 43.21 H new ATOM 0 HB2 PHE A 44 1.718 17.548 -15.116 1.00 3.11 H new ATOM 0 HB3 PHE A 44 1.078 15.983 -14.657 1.00 3.11 H new ATOM 0 HD1 PHE A 44 3.028 18.887 -13.439 1.00 72.01 H new ATOM 0 HD2 PHE A 44 0.960 15.321 -12.366 1.00 34.30 H new ATOM 0 HE1 PHE A 44 3.141 19.534 -11.073 1.00 45.41 H new ATOM 0 HE2 PHE A 44 1.072 15.966 -9.998 1.00 51.13 H new ATOM 0 HZ PHE A 44 2.160 18.078 -9.348 1.00 72.31 H new ATOM 703 N ALA A 45 2.407 14.698 -16.918 1.00 42.15 N ATOM 704 CA ALA A 45 2.237 14.370 -18.328 1.00 63.15 C ATOM 705 C ALA A 45 0.776 14.489 -18.748 1.00 30.25 C ATOM 706 O ALA A 45 -0.115 13.946 -18.092 1.00 64.44 O ATOM 707 CB ALA A 45 2.757 12.968 -18.610 1.00 71.14 C ATOM 0 H ALA A 45 1.956 14.046 -16.276 1.00 42.15 H new ATOM 0 HA ALA A 45 2.815 15.085 -18.914 1.00 63.15 H new ATOM 0 HB1 ALA A 45 2.624 12.736 -19.667 1.00 71.14 H new ATOM 0 HB2 ALA A 45 3.816 12.915 -18.358 1.00 71.14 H new ATOM 0 HB3 ALA A 45 2.204 12.247 -18.008 1.00 71.14 H new ATOM 713 N LEU A 46 0.535 15.202 -19.842 1.00 5.42 N ATOM 714 CA LEU A 46 -0.819 15.393 -20.348 1.00 52.34 C ATOM 715 C LEU A 46 -1.068 14.525 -21.577 1.00 74.14 C ATOM 716 O LEU A 46 -0.483 14.748 -22.637 1.00 53.03 O ATOM 717 CB LEU A 46 -1.053 16.865 -20.694 1.00 30.01 C ATOM 718 CG LEU A 46 -0.514 17.884 -19.689 1.00 51.03 C ATOM 719 CD1 LEU A 46 -0.908 19.295 -20.097 1.00 12.22 C ATOM 720 CD2 LEU A 46 -1.019 17.571 -18.289 1.00 34.35 C ATOM 0 H LEU A 46 1.260 15.658 -20.396 1.00 5.42 H new ATOM 0 HA LEU A 46 -1.518 15.094 -19.567 1.00 52.34 H new ATOM 0 HB2 LEU A 46 -0.599 17.066 -21.664 1.00 30.01 H new ATOM 0 HB3 LEU A 46 -2.125 17.026 -20.804 1.00 30.01 H new ATOM 0 HG LEU A 46 0.574 17.820 -19.683 1.00 51.03 H new ATOM 0 HD11 LEU A 46 -0.516 20.007 -19.370 1.00 12.22 H new ATOM 0 HD12 LEU A 46 -0.496 19.517 -21.081 1.00 12.22 H new ATOM 0 HD13 LEU A 46 -1.995 19.374 -20.132 1.00 12.22 H new ATOM 0 HD21 LEU A 46 -0.625 18.306 -17.587 1.00 34.35 H new ATOM 0 HD22 LEU A 46 -2.108 17.607 -18.279 1.00 34.35 H new ATOM 0 HD23 LEU A 46 -0.686 16.575 -17.996 1.00 34.35 H new ATOM 732 N VAL A 47 -1.943 13.535 -21.429 1.00 24.44 N ATOM 733 CA VAL A 47 -2.272 12.634 -22.527 1.00 53.30 C ATOM 734 C VAL A 47 -3.708 12.843 -22.997 1.00 23.15 C ATOM 735 O VAL A 47 -4.545 13.364 -22.259 1.00 44.22 O ATOM 736 CB VAL A 47 -2.086 11.161 -22.120 1.00 61.41 C ATOM 737 CG1 VAL A 47 -3.171 10.735 -21.142 1.00 43.14 C ATOM 738 CG2 VAL A 47 -2.084 10.265 -23.350 1.00 21.02 C ATOM 0 H VAL A 47 -2.437 13.337 -20.559 1.00 24.44 H new ATOM 0 HA VAL A 47 -1.588 12.866 -23.343 1.00 53.30 H new ATOM 0 HB VAL A 47 -1.122 11.059 -21.622 1.00 61.41 H new ATOM 0 HG11 VAL A 47 -3.023 9.691 -20.866 1.00 43.14 H new ATOM 0 HG12 VAL A 47 -3.120 11.357 -20.249 1.00 43.14 H new ATOM 0 HG13 VAL A 47 -4.149 10.851 -21.610 1.00 43.14 H new ATOM 0 HG21 VAL A 47 -1.951 9.227 -23.044 1.00 21.02 H new ATOM 0 HG22 VAL A 47 -3.032 10.369 -23.878 1.00 21.02 H new ATOM 0 HG23 VAL A 47 -1.267 10.556 -24.011 1.00 21.02 H new ATOM 748 N LYS A 48 -3.987 12.432 -24.229 1.00 21.12 N ATOM 749 CA LYS A 48 -5.322 12.571 -24.798 1.00 42.24 C ATOM 750 C LYS A 48 -5.835 11.232 -25.317 1.00 23.51 C ATOM 751 O LYS A 48 -5.081 10.448 -25.892 1.00 62.13 O ATOM 752 CB LYS A 48 -5.310 13.599 -25.933 1.00 31.54 C ATOM 753 CG LYS A 48 -6.693 13.938 -26.460 1.00 74.34 C ATOM 754 CD LYS A 48 -6.680 15.220 -27.275 1.00 55.30 C ATOM 755 CE LYS A 48 -8.070 15.572 -27.784 1.00 32.35 C ATOM 756 NZ LYS A 48 -8.091 16.891 -28.475 1.00 21.45 N ATOM 0 H LYS A 48 -3.306 12.000 -24.853 1.00 21.12 H new ATOM 0 HA LYS A 48 -5.992 12.916 -24.010 1.00 42.24 H new ATOM 0 HB2 LYS A 48 -4.831 14.512 -25.580 1.00 31.54 H new ATOM 0 HB3 LYS A 48 -4.702 13.216 -26.752 1.00 31.54 H new ATOM 0 HG2 LYS A 48 -7.060 13.117 -27.077 1.00 74.34 H new ATOM 0 HG3 LYS A 48 -7.386 14.043 -25.625 1.00 74.34 H new ATOM 0 HD2 LYS A 48 -6.298 16.037 -26.663 1.00 55.30 H new ATOM 0 HD3 LYS A 48 -6.000 15.109 -28.119 1.00 55.30 H new ATOM 0 HE2 LYS A 48 -8.412 14.797 -28.470 1.00 32.35 H new ATOM 0 HE3 LYS A 48 -8.769 15.589 -26.948 1.00 32.35 H new ATOM 0 HZ1 LYS A 48 -9.056 17.094 -28.807 1.00 21.45 H new ATOM 0 HZ2 LYS A 48 -7.789 17.634 -27.813 1.00 21.45 H new ATOM 0 HZ3 LYS A 48 -7.443 16.867 -29.288 1.00 21.45 H new ATOM 770 N GLY A 49 -7.123 10.976 -25.110 1.00 71.22 N ATOM 771 CA GLY A 49 -7.714 9.731 -25.564 1.00 74.33 C ATOM 772 C GLY A 49 -9.085 9.487 -24.965 1.00 11.23 C ATOM 773 O GLY A 49 -9.578 10.295 -24.178 1.00 53.13 O ATOM 0 H GLY A 49 -7.768 11.609 -24.636 1.00 71.22 H new ATOM 0 HA2 GLY A 49 -7.793 9.745 -26.651 1.00 74.33 H new ATOM 0 HA3 GLY A 49 -7.055 8.903 -25.303 1.00 74.33 H new ATOM 777 N ALA A 50 -9.703 8.371 -25.338 1.00 42.31 N ATOM 778 CA ALA A 50 -11.025 8.024 -24.832 1.00 23.25 C ATOM 779 C ALA A 50 -11.993 9.193 -24.978 1.00 32.55 C ATOM 780 O ALA A 50 -12.925 9.341 -24.188 1.00 53.35 O ATOM 781 CB ALA A 50 -10.935 7.589 -23.376 1.00 43.02 C ATOM 0 H ALA A 50 -9.309 7.692 -25.989 1.00 42.31 H new ATOM 0 HA ALA A 50 -11.408 7.193 -25.425 1.00 23.25 H new ATOM 0 HB1 ALA A 50 -11.929 7.333 -23.011 1.00 43.02 H new ATOM 0 HB2 ALA A 50 -10.284 6.719 -23.296 1.00 43.02 H new ATOM 0 HB3 ALA A 50 -10.527 8.404 -22.777 1.00 43.02 H new ATOM 787 N GLY A 51 -11.766 10.021 -25.993 1.00 24.24 N ATOM 788 CA GLY A 51 -12.626 11.166 -26.223 1.00 13.45 C ATOM 789 C GLY A 51 -12.486 12.222 -25.144 1.00 54.52 C ATOM 790 O GLY A 51 -13.466 12.858 -24.757 1.00 40.11 O ATOM 0 H GLY A 51 -11.001 9.919 -26.660 1.00 24.24 H new ATOM 0 HA2 GLY A 51 -12.388 11.606 -27.191 1.00 13.45 H new ATOM 0 HA3 GLY A 51 -13.663 10.834 -26.270 1.00 13.45 H new ATOM 794 N GLY A 52 -11.264 12.410 -24.656 1.00 63.50 N ATOM 795 CA GLY A 52 -11.022 13.395 -23.619 1.00 1.40 C ATOM 796 C GLY A 52 -9.550 13.538 -23.286 1.00 61.14 C ATOM 797 O GLY A 52 -8.698 12.930 -23.934 1.00 62.13 O ATOM 0 H GLY A 52 -10.437 11.897 -24.961 1.00 63.50 H new ATOM 0 HA2 GLY A 52 -11.414 14.360 -23.941 1.00 1.40 H new ATOM 0 HA3 GLY A 52 -11.569 13.113 -22.719 1.00 1.40 H new ATOM 801 N VAL A 53 -9.249 14.345 -22.274 1.00 1.10 N ATOM 802 CA VAL A 53 -7.870 14.566 -21.857 1.00 5.43 C ATOM 803 C VAL A 53 -7.618 13.997 -20.465 1.00 14.52 C ATOM 804 O VAL A 53 -8.463 14.108 -19.575 1.00 40.14 O ATOM 805 CB VAL A 53 -7.516 16.066 -21.858 1.00 34.40 C ATOM 806 CG1 VAL A 53 -7.279 16.557 -23.278 1.00 0.33 C ATOM 807 CG2 VAL A 53 -8.615 16.872 -21.183 1.00 34.15 C ATOM 0 H VAL A 53 -9.942 14.857 -21.728 1.00 1.10 H new ATOM 0 HA VAL A 53 -7.236 14.050 -22.578 1.00 5.43 H new ATOM 0 HB VAL A 53 -6.595 16.205 -21.292 1.00 34.40 H new ATOM 0 HG11 VAL A 53 -7.030 17.618 -23.259 1.00 0.33 H new ATOM 0 HG12 VAL A 53 -6.455 15.999 -23.723 1.00 0.33 H new ATOM 0 HG13 VAL A 53 -8.181 16.406 -23.870 1.00 0.33 H new ATOM 0 HG21 VAL A 53 -8.349 17.929 -21.192 1.00 34.15 H new ATOM 0 HG22 VAL A 53 -9.553 16.729 -21.720 1.00 34.15 H new ATOM 0 HG23 VAL A 53 -8.732 16.536 -20.153 1.00 34.15 H new ATOM 817 N HIS A 54 -6.451 13.388 -20.282 1.00 52.21 N ATOM 818 CA HIS A 54 -6.088 12.802 -18.997 1.00 5.21 C ATOM 819 C HIS A 54 -4.756 13.360 -18.503 1.00 31.22 C ATOM 820 O HIS A 54 -3.908 13.765 -19.298 1.00 54.12 O ATOM 821 CB HIS A 54 -6.005 11.280 -19.112 1.00 20.22 C ATOM 822 CG HIS A 54 -6.834 10.717 -20.225 1.00 12.30 C ATOM 823 ND1 HIS A 54 -6.355 9.789 -21.125 1.00 35.30 N ATOM 824 CD2 HIS A 54 -8.118 10.956 -20.580 1.00 74.20 C ATOM 825 CE1 HIS A 54 -7.309 9.482 -21.987 1.00 23.25 C ATOM 826 NE2 HIS A 54 -8.389 10.176 -21.678 1.00 0.15 N ATOM 0 H HIS A 54 -5.741 13.287 -21.007 1.00 52.21 H new ATOM 0 HA HIS A 54 -6.862 13.062 -18.275 1.00 5.21 H new ATOM 0 HB2 HIS A 54 -4.965 10.992 -19.263 1.00 20.22 H new ATOM 0 HB3 HIS A 54 -6.326 10.835 -18.170 1.00 20.22 H new ATOM 0 HD2 HIS A 54 -8.802 11.634 -20.091 1.00 74.20 H new ATOM 0 HE1 HIS A 54 -7.220 8.782 -22.805 1.00 23.25 H new ATOM 0 HE2 HIS A 54 -9.280 10.139 -22.174 1.00 0.15 H new ATOM 834 N ARG A 55 -4.580 13.378 -17.186 1.00 21.24 N ATOM 835 CA ARG A 55 -3.353 13.888 -16.586 1.00 22.42 C ATOM 836 C ARG A 55 -2.760 12.872 -15.614 1.00 20.22 C ATOM 837 O ARG A 55 -3.443 12.389 -14.710 1.00 51.24 O ATOM 838 CB ARG A 55 -3.625 15.206 -15.859 1.00 45.24 C ATOM 839 CG ARG A 55 -4.541 15.061 -14.656 1.00 31.24 C ATOM 840 CD ARG A 55 -5.041 16.412 -14.169 1.00 44.23 C ATOM 841 NE ARG A 55 -6.489 16.542 -14.306 1.00 42.01 N ATOM 842 CZ ARG A 55 -7.193 17.529 -13.763 1.00 43.12 C ATOM 843 NH1 ARG A 55 -6.585 18.468 -13.051 1.00 64.22 N ATOM 844 NH2 ARG A 55 -8.508 17.579 -13.932 1.00 61.25 N ATOM 0 H ARG A 55 -5.272 13.045 -16.514 1.00 21.24 H new ATOM 0 HA ARG A 55 -2.633 14.064 -17.386 1.00 22.42 H new ATOM 0 HB2 ARG A 55 -2.677 15.634 -15.533 1.00 45.24 H new ATOM 0 HB3 ARG A 55 -4.069 15.913 -16.560 1.00 45.24 H new ATOM 0 HG2 ARG A 55 -5.391 14.431 -14.918 1.00 31.24 H new ATOM 0 HG3 ARG A 55 -4.007 14.557 -13.850 1.00 31.24 H new ATOM 0 HD2 ARG A 55 -4.762 16.546 -13.124 1.00 44.23 H new ATOM 0 HD3 ARG A 55 -4.551 17.205 -14.734 1.00 44.23 H new ATOM 0 HE ARG A 55 -6.987 15.836 -14.848 1.00 42.01 H new ATOM 0 HH11 ARG A 55 -5.574 18.434 -12.919 1.00 64.22 H new ATOM 0 HH12 ARG A 55 -7.128 19.225 -12.635 1.00 64.22 H new ATOM 0 HH21 ARG A 55 -8.980 16.859 -14.479 1.00 61.25 H new ATOM 0 HH22 ARG A 55 -9.047 18.337 -13.514 1.00 61.25 H new ATOM 858 N VAL A 56 -1.484 12.551 -15.806 1.00 13.00 N ATOM 859 CA VAL A 56 -0.799 11.593 -14.946 1.00 50.25 C ATOM 860 C VAL A 56 0.653 12.000 -14.719 1.00 35.25 C ATOM 861 O VAL A 56 1.291 12.578 -15.598 1.00 63.20 O ATOM 862 CB VAL A 56 -0.835 10.175 -15.546 1.00 73.10 C ATOM 863 CG1 VAL A 56 -2.265 9.662 -15.617 1.00 73.53 C ATOM 864 CG2 VAL A 56 -0.186 10.162 -16.922 1.00 31.33 C ATOM 0 H VAL A 56 -0.904 12.940 -16.549 1.00 13.00 H new ATOM 0 HA VAL A 56 -1.326 11.589 -13.992 1.00 50.25 H new ATOM 0 HB VAL A 56 -0.267 9.509 -14.896 1.00 73.10 H new ATOM 0 HG11 VAL A 56 -2.271 8.659 -16.043 1.00 73.53 H new ATOM 0 HG12 VAL A 56 -2.691 9.632 -14.614 1.00 73.53 H new ATOM 0 HG13 VAL A 56 -2.859 10.326 -16.244 1.00 73.53 H new ATOM 0 HG21 VAL A 56 -0.220 9.152 -17.331 1.00 31.33 H new ATOM 0 HG22 VAL A 56 -0.724 10.840 -17.584 1.00 31.33 H new ATOM 0 HG23 VAL A 56 0.852 10.484 -16.838 1.00 31.33 H new ATOM 874 N ARG A 57 1.168 11.693 -13.532 1.00 52.54 N ATOM 875 CA ARG A 57 2.544 12.028 -13.188 1.00 65.31 C ATOM 876 C ARG A 57 3.394 10.767 -13.061 1.00 24.21 C ATOM 877 O ARG A 57 2.895 9.651 -13.206 1.00 53.23 O ATOM 878 CB ARG A 57 2.588 12.819 -11.880 1.00 33.04 C ATOM 879 CG ARG A 57 2.344 11.967 -10.644 1.00 50.35 C ATOM 880 CD ARG A 57 2.336 12.810 -9.379 1.00 3.50 C ATOM 881 NE ARG A 57 2.641 12.018 -8.191 1.00 63.51 N ATOM 882 CZ ARG A 57 1.787 11.164 -7.638 1.00 71.00 C ATOM 883 NH1 ARG A 57 0.581 10.993 -8.163 1.00 45.42 N ATOM 884 NH2 ARG A 57 2.138 10.478 -6.557 1.00 51.45 N ATOM 0 H ARG A 57 0.653 11.213 -12.794 1.00 52.54 H new ATOM 0 HA ARG A 57 2.953 12.643 -13.990 1.00 65.31 H new ATOM 0 HB2 ARG A 57 3.560 13.303 -11.791 1.00 33.04 H new ATOM 0 HB3 ARG A 57 1.840 13.611 -11.919 1.00 33.04 H new ATOM 0 HG2 ARG A 57 1.391 11.447 -10.742 1.00 50.35 H new ATOM 0 HG3 ARG A 57 3.118 11.203 -10.569 1.00 50.35 H new ATOM 0 HD2 ARG A 57 3.065 13.615 -9.475 1.00 3.50 H new ATOM 0 HD3 ARG A 57 1.359 13.278 -9.261 1.00 3.50 H new ATOM 0 HE ARG A 57 3.560 12.126 -7.762 1.00 63.51 H new ATOM 0 HH11 ARG A 57 0.307 11.518 -8.994 1.00 45.42 H new ATOM 0 HH12 ARG A 57 -0.073 10.337 -7.736 1.00 45.42 H new ATOM 0 HH21 ARG A 57 3.064 10.606 -6.150 1.00 51.45 H new ATOM 0 HH22 ARG A 57 1.481 9.823 -6.133 1.00 51.45 H new ATOM 898 N VAL A 58 4.682 10.952 -12.789 1.00 3.51 N ATOM 899 CA VAL A 58 5.602 9.831 -12.641 1.00 70.34 C ATOM 900 C VAL A 58 5.112 8.854 -11.579 1.00 15.15 C ATOM 901 O VAL A 58 4.951 9.217 -10.414 1.00 23.31 O ATOM 902 CB VAL A 58 7.017 10.311 -12.268 1.00 62.53 C ATOM 903 CG1 VAL A 58 6.974 11.189 -11.027 1.00 75.31 C ATOM 904 CG2 VAL A 58 7.944 9.123 -12.059 1.00 30.44 C ATOM 0 H VAL A 58 5.112 11.869 -12.667 1.00 3.51 H new ATOM 0 HA VAL A 58 5.641 9.325 -13.606 1.00 70.34 H new ATOM 0 HB VAL A 58 7.408 10.908 -13.092 1.00 62.53 H new ATOM 0 HG11 VAL A 58 7.983 11.518 -10.779 1.00 75.31 H new ATOM 0 HG12 VAL A 58 6.345 12.059 -11.218 1.00 75.31 H new ATOM 0 HG13 VAL A 58 6.563 10.620 -10.193 1.00 75.31 H new ATOM 0 HG21 VAL A 58 8.940 9.480 -11.796 1.00 30.44 H new ATOM 0 HG22 VAL A 58 7.558 8.498 -11.254 1.00 30.44 H new ATOM 0 HG23 VAL A 58 7.999 8.538 -12.977 1.00 30.44 H new ATOM 914 N GLY A 59 4.875 7.611 -11.988 1.00 50.42 N ATOM 915 CA GLY A 59 4.405 6.601 -11.059 1.00 24.42 C ATOM 916 C GLY A 59 2.947 6.247 -11.275 1.00 2.24 C ATOM 917 O GLY A 59 2.518 5.136 -10.963 1.00 10.33 O ATOM 0 H GLY A 59 5.000 7.286 -12.947 1.00 50.42 H new ATOM 0 HA2 GLY A 59 5.013 5.703 -11.166 1.00 24.42 H new ATOM 0 HA3 GLY A 59 4.541 6.959 -10.039 1.00 24.42 H new ATOM 921 N ASP A 60 2.183 7.194 -11.808 1.00 4.21 N ATOM 922 CA ASP A 60 0.764 6.978 -12.065 1.00 23.45 C ATOM 923 C ASP A 60 0.555 5.783 -12.989 1.00 65.53 C ATOM 924 O ASP A 60 1.514 5.216 -13.515 1.00 3.33 O ATOM 925 CB ASP A 60 0.139 8.230 -12.680 1.00 55.11 C ATOM 926 CG ASP A 60 -0.200 9.279 -11.640 1.00 13.35 C ATOM 927 OD1 ASP A 60 0.262 9.144 -10.487 1.00 61.42 O ATOM 928 OD2 ASP A 60 -0.927 10.237 -11.978 1.00 31.43 O ATOM 0 H ASP A 60 2.523 8.119 -12.071 1.00 4.21 H new ATOM 0 HA ASP A 60 0.275 6.768 -11.113 1.00 23.45 H new ATOM 0 HB2 ASP A 60 0.828 8.655 -13.410 1.00 55.11 H new ATOM 0 HB3 ASP A 60 -0.766 7.953 -13.220 1.00 55.11 H new ATOM 933 N TYR A 61 -0.703 5.404 -13.183 1.00 21.32 N ATOM 934 CA TYR A 61 -1.037 4.274 -14.041 1.00 74.43 C ATOM 935 C TYR A 61 -2.165 4.635 -15.003 1.00 34.02 C ATOM 936 O TYR A 61 -3.088 5.371 -14.649 1.00 25.14 O ATOM 937 CB TYR A 61 -1.441 3.065 -13.195 1.00 13.21 C ATOM 938 CG TYR A 61 -0.439 2.718 -12.117 1.00 42.34 C ATOM 939 CD1 TYR A 61 -0.493 3.327 -10.869 1.00 62.42 C ATOM 940 CD2 TYR A 61 0.563 1.783 -12.348 1.00 12.44 C ATOM 941 CE1 TYR A 61 0.421 3.013 -9.882 1.00 3.51 C ATOM 942 CE2 TYR A 61 1.480 1.463 -11.366 1.00 2.12 C ATOM 943 CZ TYR A 61 1.405 2.081 -10.135 1.00 25.22 C ATOM 944 OH TYR A 61 2.318 1.765 -9.155 1.00 4.44 O ATOM 0 H TYR A 61 -1.508 5.863 -12.758 1.00 21.32 H new ATOM 0 HA TYR A 61 -0.152 4.021 -14.625 1.00 74.43 H new ATOM 0 HB2 TYR A 61 -2.407 3.263 -12.731 1.00 13.21 H new ATOM 0 HB3 TYR A 61 -1.572 2.203 -13.848 1.00 13.21 H new ATOM 0 HD1 TYR A 61 -1.262 4.058 -10.667 1.00 62.42 H new ATOM 0 HD2 TYR A 61 0.626 1.299 -13.311 1.00 12.44 H new ATOM 0 HE1 TYR A 61 0.365 3.495 -8.917 1.00 3.51 H new ATOM 0 HE2 TYR A 61 2.252 0.733 -11.561 1.00 2.12 H new ATOM 0 HH TYR A 61 2.943 1.091 -9.495 1.00 4.44 H new ATOM 954 N LEU A 62 -2.085 4.112 -16.221 1.00 75.32 N ATOM 955 CA LEU A 62 -3.099 4.377 -17.236 1.00 13.30 C ATOM 956 C LEU A 62 -3.116 3.276 -18.291 1.00 23.32 C ATOM 957 O LEU A 62 -2.093 2.649 -18.565 1.00 1.31 O ATOM 958 CB LEU A 62 -2.842 5.731 -17.900 1.00 51.10 C ATOM 959 CG LEU A 62 -1.375 6.125 -18.074 1.00 40.40 C ATOM 960 CD1 LEU A 62 -0.697 5.222 -19.093 1.00 2.54 C ATOM 961 CD2 LEU A 62 -1.261 7.584 -18.492 1.00 42.20 C ATOM 0 H LEU A 62 -1.328 3.502 -16.530 1.00 75.32 H new ATOM 0 HA LEU A 62 -4.072 4.398 -16.745 1.00 13.30 H new ATOM 0 HB2 LEU A 62 -3.315 5.727 -18.882 1.00 51.10 H new ATOM 0 HB3 LEU A 62 -3.337 6.502 -17.310 1.00 51.10 H new ATOM 0 HG LEU A 62 -0.869 6.001 -17.116 1.00 40.40 H new ATOM 0 HD11 LEU A 62 0.346 5.517 -19.204 1.00 2.54 H new ATOM 0 HD12 LEU A 62 -0.747 4.188 -18.753 1.00 2.54 H new ATOM 0 HD13 LEU A 62 -1.204 5.313 -20.054 1.00 2.54 H new ATOM 0 HD21 LEU A 62 -0.210 7.847 -18.611 1.00 42.20 H new ATOM 0 HD22 LEU A 62 -1.782 7.733 -19.438 1.00 42.20 H new ATOM 0 HD23 LEU A 62 -1.709 8.218 -17.727 1.00 42.20 H new ATOM 973 N GLY A 63 -4.285 3.046 -18.881 1.00 63.14 N ATOM 974 CA GLY A 63 -4.412 2.021 -19.901 1.00 40.21 C ATOM 975 C GLY A 63 -4.775 0.668 -19.322 1.00 3.45 C ATOM 976 O GLY A 63 -4.621 0.438 -18.122 1.00 11.21 O ATOM 0 H GLY A 63 -5.146 3.551 -18.671 1.00 63.14 H new ATOM 0 HA2 GLY A 63 -5.174 2.321 -20.620 1.00 40.21 H new ATOM 0 HA3 GLY A 63 -3.473 1.939 -20.448 1.00 40.21 H new ATOM 980 N ARG A 64 -5.259 -0.228 -20.174 1.00 63.54 N ATOM 981 CA ARG A 64 -5.647 -1.565 -19.739 1.00 52.44 C ATOM 982 C ARG A 64 -4.418 -2.417 -19.437 1.00 51.21 C ATOM 983 O ARG A 64 -4.516 -3.454 -18.784 1.00 23.54 O ATOM 984 CB ARG A 64 -6.502 -2.245 -20.811 1.00 4.33 C ATOM 985 CG ARG A 64 -7.992 -1.988 -20.655 1.00 44.55 C ATOM 986 CD ARG A 64 -8.809 -2.868 -21.588 1.00 21.13 C ATOM 987 NE ARG A 64 -8.505 -4.285 -21.409 1.00 22.23 N ATOM 988 CZ ARG A 64 -8.830 -5.224 -22.291 1.00 13.25 C ATOM 989 NH1 ARG A 64 -9.466 -4.897 -23.407 1.00 72.11 N ATOM 990 NH2 ARG A 64 -8.519 -6.492 -22.056 1.00 71.35 N ATOM 0 H ARG A 64 -5.392 -0.053 -21.170 1.00 63.54 H new ATOM 0 HA ARG A 64 -6.233 -1.467 -18.825 1.00 52.44 H new ATOM 0 HB2 ARG A 64 -6.183 -1.897 -21.793 1.00 4.33 H new ATOM 0 HB3 ARG A 64 -6.322 -3.320 -20.780 1.00 4.33 H new ATOM 0 HG2 ARG A 64 -8.289 -2.176 -19.623 1.00 44.55 H new ATOM 0 HG3 ARG A 64 -8.205 -0.939 -20.862 1.00 44.55 H new ATOM 0 HD2 ARG A 64 -9.871 -2.699 -21.408 1.00 21.13 H new ATOM 0 HD3 ARG A 64 -8.611 -2.582 -22.621 1.00 21.13 H new ATOM 0 HE ARG A 64 -8.016 -4.570 -20.560 1.00 22.23 H new ATOM 0 HH11 ARG A 64 -9.707 -3.923 -23.590 1.00 72.11 H new ATOM 0 HH12 ARG A 64 -9.715 -5.619 -24.083 1.00 72.11 H new ATOM 0 HH21 ARG A 64 -8.030 -6.747 -21.198 1.00 71.35 H new ATOM 0 HH22 ARG A 64 -8.769 -7.212 -22.734 1.00 71.35 H new ATOM 1004 N ASN A 65 -3.262 -1.971 -19.918 1.00 52.31 N ATOM 1005 CA ASN A 65 -2.014 -2.693 -19.700 1.00 50.24 C ATOM 1006 C ASN A 65 -1.282 -2.156 -18.474 1.00 44.25 C ATOM 1007 O ASN A 65 -0.077 -2.360 -18.319 1.00 54.23 O ATOM 1008 CB ASN A 65 -1.115 -2.583 -20.934 1.00 34.31 C ATOM 1009 CG ASN A 65 -1.791 -3.099 -22.189 1.00 75.34 C ATOM 1010 OD1 ASN A 65 -1.732 -2.467 -23.244 1.00 72.22 O ATOM 1011 ND2 ASN A 65 -2.439 -4.253 -22.081 1.00 31.53 N ATOM 0 H ASN A 65 -3.164 -1.113 -20.461 1.00 52.31 H new ATOM 0 HA ASN A 65 -2.255 -3.742 -19.527 1.00 50.24 H new ATOM 0 HB2 ASN A 65 -0.829 -1.541 -21.080 1.00 34.31 H new ATOM 0 HB3 ASN A 65 -0.197 -3.144 -20.762 1.00 34.31 H new ATOM 0 HD21 ASN A 65 -2.914 -4.649 -22.892 1.00 31.53 H new ATOM 0 HD22 ASN A 65 -2.462 -4.743 -21.187 1.00 31.53 H new ATOM 1018 N ASP A 66 -2.017 -1.470 -17.607 1.00 2.44 N ATOM 1019 CA ASP A 66 -1.438 -0.904 -16.393 1.00 72.31 C ATOM 1020 C ASP A 66 -0.192 -0.086 -16.715 1.00 63.15 C ATOM 1021 O ASP A 66 0.847 -0.241 -16.075 1.00 44.43 O ATOM 1022 CB ASP A 66 -1.091 -2.016 -15.402 1.00 72.41 C ATOM 1023 CG ASP A 66 -2.237 -2.987 -15.197 1.00 33.32 C ATOM 1024 OD1 ASP A 66 -3.224 -2.609 -14.530 1.00 43.05 O ATOM 1025 OD2 ASP A 66 -2.148 -4.125 -15.703 1.00 73.21 O ATOM 0 H ASP A 66 -3.015 -1.292 -17.721 1.00 2.44 H new ATOM 0 HA ASP A 66 -2.178 -0.243 -15.941 1.00 72.31 H new ATOM 0 HB2 ASP A 66 -0.218 -2.560 -15.762 1.00 72.41 H new ATOM 0 HB3 ASP A 66 -0.818 -1.573 -14.444 1.00 72.41 H new ATOM 1030 N GLY A 67 -0.303 0.785 -17.714 1.00 74.21 N ATOM 1031 CA GLY A 67 0.822 1.613 -18.105 1.00 1.51 C ATOM 1032 C GLY A 67 1.305 2.504 -16.978 1.00 3.24 C ATOM 1033 O GLY A 67 0.686 3.524 -16.672 1.00 60.42 O ATOM 0 H GLY A 67 -1.153 0.931 -18.259 1.00 74.21 H new ATOM 0 HA2 GLY A 67 1.641 0.975 -18.436 1.00 1.51 H new ATOM 0 HA3 GLY A 67 0.536 2.231 -18.956 1.00 1.51 H new ATOM 1037 N LYS A 68 2.414 2.119 -16.355 1.00 44.14 N ATOM 1038 CA LYS A 68 2.981 2.889 -15.255 1.00 4.13 C ATOM 1039 C LYS A 68 3.979 3.921 -15.770 1.00 3.30 C ATOM 1040 O LYS A 68 4.959 3.576 -16.430 1.00 43.34 O ATOM 1041 CB LYS A 68 3.667 1.957 -14.253 1.00 60.02 C ATOM 1042 CG LYS A 68 4.289 2.684 -13.073 1.00 35.40 C ATOM 1043 CD LYS A 68 5.323 1.821 -12.369 1.00 40.43 C ATOM 1044 CE LYS A 68 6.575 1.651 -13.216 1.00 23.14 C ATOM 1045 NZ LYS A 68 7.632 0.887 -12.496 1.00 14.25 N ATOM 0 H LYS A 68 2.938 1.277 -16.594 1.00 44.14 H new ATOM 0 HA LYS A 68 2.167 3.414 -14.756 1.00 4.13 H new ATOM 0 HB2 LYS A 68 2.938 1.237 -13.882 1.00 60.02 H new ATOM 0 HB3 LYS A 68 4.442 1.390 -14.769 1.00 60.02 H new ATOM 0 HG2 LYS A 68 4.757 3.606 -13.418 1.00 35.40 H new ATOM 0 HG3 LYS A 68 3.509 2.968 -12.367 1.00 35.40 H new ATOM 0 HD2 LYS A 68 5.587 2.274 -11.414 1.00 40.43 H new ATOM 0 HD3 LYS A 68 4.894 0.843 -12.150 1.00 40.43 H new ATOM 0 HE2 LYS A 68 6.320 1.135 -14.141 1.00 23.14 H new ATOM 0 HE3 LYS A 68 6.961 2.632 -13.494 1.00 23.14 H new ATOM 0 HZ1 LYS A 68 8.469 0.793 -13.106 1.00 14.25 H new ATOM 0 HZ2 LYS A 68 7.894 1.392 -11.626 1.00 14.25 H new ATOM 0 HZ3 LYS A 68 7.272 -0.058 -12.253 1.00 14.25 H new ATOM 1059 N VAL A 69 3.724 5.189 -15.463 1.00 2.23 N ATOM 1060 CA VAL A 69 4.602 6.271 -15.893 1.00 13.44 C ATOM 1061 C VAL A 69 5.976 6.156 -15.242 1.00 72.04 C ATOM 1062 O VAL A 69 6.091 6.069 -14.020 1.00 32.52 O ATOM 1063 CB VAL A 69 4.000 7.649 -15.556 1.00 25.24 C ATOM 1064 CG1 VAL A 69 4.926 8.763 -16.019 1.00 51.43 C ATOM 1065 CG2 VAL A 69 2.621 7.795 -16.181 1.00 4.13 C ATOM 0 H VAL A 69 2.917 5.492 -14.918 1.00 2.23 H new ATOM 0 HA VAL A 69 4.707 6.183 -16.974 1.00 13.44 H new ATOM 0 HB VAL A 69 3.892 7.725 -14.474 1.00 25.24 H new ATOM 0 HG11 VAL A 69 4.485 9.729 -15.773 1.00 51.43 H new ATOM 0 HG12 VAL A 69 5.890 8.666 -15.519 1.00 51.43 H new ATOM 0 HG13 VAL A 69 5.068 8.693 -17.097 1.00 51.43 H new ATOM 0 HG21 VAL A 69 2.211 8.774 -15.933 1.00 4.13 H new ATOM 0 HG22 VAL A 69 2.700 7.699 -17.264 1.00 4.13 H new ATOM 0 HG23 VAL A 69 1.962 7.017 -15.795 1.00 4.13 H new ATOM 1075 N VAL A 70 7.017 6.157 -16.068 1.00 62.35 N ATOM 1076 CA VAL A 70 8.385 6.054 -15.574 1.00 61.23 C ATOM 1077 C VAL A 70 9.211 7.267 -15.987 1.00 22.12 C ATOM 1078 O VAL A 70 10.141 7.665 -15.286 1.00 51.25 O ATOM 1079 CB VAL A 70 9.074 4.777 -16.092 1.00 1.13 C ATOM 1080 CG1 VAL A 70 8.226 3.552 -15.787 1.00 24.42 C ATOM 1081 CG2 VAL A 70 9.349 4.888 -17.584 1.00 32.22 C ATOM 0 H VAL A 70 6.939 6.228 -17.083 1.00 62.35 H new ATOM 0 HA VAL A 70 8.327 6.011 -14.486 1.00 61.23 H new ATOM 0 HB VAL A 70 10.029 4.665 -15.578 1.00 1.13 H new ATOM 0 HG11 VAL A 70 8.728 2.660 -16.160 1.00 24.42 H new ATOM 0 HG12 VAL A 70 8.086 3.466 -14.710 1.00 24.42 H new ATOM 0 HG13 VAL A 70 7.255 3.652 -16.272 1.00 24.42 H new ATOM 0 HG21 VAL A 70 9.836 3.977 -17.933 1.00 32.22 H new ATOM 0 HG22 VAL A 70 8.409 5.024 -18.118 1.00 32.22 H new ATOM 0 HG23 VAL A 70 10.000 5.742 -17.771 1.00 32.22 H new ATOM 1091 N GLY A 71 8.865 7.851 -17.130 1.00 14.32 N ATOM 1092 CA GLY A 71 9.584 9.014 -17.616 1.00 51.03 C ATOM 1093 C GLY A 71 8.666 10.040 -18.252 1.00 22.44 C ATOM 1094 O GLY A 71 7.704 9.684 -18.933 1.00 63.41 O ATOM 0 H GLY A 71 8.100 7.540 -17.728 1.00 14.32 H new ATOM 0 HA2 GLY A 71 10.122 9.476 -16.789 1.00 51.03 H new ATOM 0 HA3 GLY A 71 10.330 8.698 -18.345 1.00 51.03 H new ATOM 1098 N ILE A 72 8.962 11.315 -18.027 1.00 50.42 N ATOM 1099 CA ILE A 72 8.156 12.395 -18.583 1.00 15.14 C ATOM 1100 C ILE A 72 9.036 13.488 -19.180 1.00 31.25 C ATOM 1101 O ILE A 72 9.673 14.251 -18.454 1.00 41.31 O ATOM 1102 CB ILE A 72 7.237 13.018 -17.515 1.00 33.11 C ATOM 1103 CG1 ILE A 72 6.277 11.964 -16.959 1.00 23.23 C ATOM 1104 CG2 ILE A 72 6.463 14.190 -18.100 1.00 61.23 C ATOM 1105 CD1 ILE A 72 5.643 12.358 -15.644 1.00 14.54 C ATOM 0 H ILE A 72 9.754 11.626 -17.464 1.00 50.42 H new ATOM 0 HA ILE A 72 7.542 11.957 -19.370 1.00 15.14 H new ATOM 0 HB ILE A 72 7.855 13.388 -16.697 1.00 33.11 H new ATOM 0 HG12 ILE A 72 5.491 11.778 -17.691 1.00 23.23 H new ATOM 0 HG13 ILE A 72 6.817 11.026 -16.826 1.00 23.23 H new ATOM 0 HG21 ILE A 72 5.818 14.619 -17.333 1.00 61.23 H new ATOM 0 HG22 ILE A 72 7.162 14.948 -18.452 1.00 61.23 H new ATOM 0 HG23 ILE A 72 5.853 13.843 -18.934 1.00 61.23 H new ATOM 0 HD11 ILE A 72 4.975 11.564 -15.310 1.00 14.54 H new ATOM 0 HD12 ILE A 72 6.421 12.515 -14.897 1.00 14.54 H new ATOM 0 HD13 ILE A 72 5.075 13.279 -15.775 1.00 14.54 H new ATOM 1117 N SER A 73 9.065 13.558 -20.507 1.00 20.54 N ATOM 1118 CA SER A 73 9.869 14.556 -21.202 1.00 72.11 C ATOM 1119 C SER A 73 9.001 15.719 -21.675 1.00 23.53 C ATOM 1120 O SER A 73 7.851 15.857 -21.259 1.00 63.04 O ATOM 1121 CB SER A 73 10.587 13.922 -22.395 1.00 54.34 C ATOM 1122 OG SER A 73 11.607 14.774 -22.887 1.00 62.42 O ATOM 0 H SER A 73 8.541 12.936 -21.122 1.00 20.54 H new ATOM 0 HA SER A 73 10.612 14.940 -20.503 1.00 72.11 H new ATOM 0 HB2 SER A 73 11.019 12.966 -22.098 1.00 54.34 H new ATOM 0 HB3 SER A 73 9.868 13.714 -23.188 1.00 54.34 H new ATOM 0 HG SER A 73 12.449 14.578 -22.425 1.00 62.42 H new ATOM 1128 N GLU A 74 9.562 16.551 -22.546 1.00 3.31 N ATOM 1129 CA GLU A 74 8.840 17.703 -23.075 1.00 25.24 C ATOM 1130 C GLU A 74 8.173 17.363 -24.404 1.00 71.21 C ATOM 1131 O GLU A 74 7.267 18.063 -24.853 1.00 52.42 O ATOM 1132 CB GLU A 74 9.790 18.888 -23.257 1.00 3.42 C ATOM 1133 CG GLU A 74 10.802 18.692 -24.373 1.00 60.13 C ATOM 1134 CD GLU A 74 11.845 19.791 -24.415 1.00 44.42 C ATOM 1135 OE1 GLU A 74 11.684 20.792 -23.686 1.00 33.22 O ATOM 1136 OE2 GLU A 74 12.824 19.651 -25.178 1.00 63.40 O ATOM 0 H GLU A 74 10.513 16.450 -22.900 1.00 3.31 H new ATOM 0 HA GLU A 74 8.065 17.975 -22.358 1.00 25.24 H new ATOM 0 HB2 GLU A 74 9.204 19.784 -23.463 1.00 3.42 H new ATOM 0 HB3 GLU A 74 10.322 19.063 -22.322 1.00 3.42 H new ATOM 0 HG2 GLU A 74 11.298 17.730 -24.243 1.00 60.13 H new ATOM 0 HG3 GLU A 74 10.280 18.655 -25.329 1.00 60.13 H new ATOM 1143 N GLY A 75 8.629 16.282 -25.029 1.00 72.53 N ATOM 1144 CA GLY A 75 8.066 15.867 -26.301 1.00 52.31 C ATOM 1145 C GLY A 75 7.842 14.370 -26.376 1.00 64.11 C ATOM 1146 O GLY A 75 7.609 13.822 -27.454 1.00 4.21 O ATOM 0 H GLY A 75 9.378 15.686 -24.677 1.00 72.53 H new ATOM 0 HA2 GLY A 75 7.118 16.381 -26.460 1.00 52.31 H new ATOM 0 HA3 GLY A 75 8.734 16.172 -27.107 1.00 52.31 H new ATOM 1150 N LYS A 76 7.915 13.704 -25.228 1.00 41.34 N ATOM 1151 CA LYS A 76 7.720 12.261 -25.167 1.00 33.31 C ATOM 1152 C LYS A 76 7.511 11.801 -23.728 1.00 35.23 C ATOM 1153 O LYS A 76 8.050 12.393 -22.793 1.00 14.45 O ATOM 1154 CB LYS A 76 8.923 11.536 -25.775 1.00 55.14 C ATOM 1155 CG LYS A 76 10.230 11.818 -25.056 1.00 21.22 C ATOM 1156 CD LYS A 76 10.882 13.093 -25.563 1.00 64.12 C ATOM 1157 CE LYS A 76 12.365 13.133 -25.225 1.00 52.23 C ATOM 1158 NZ LYS A 76 13.008 14.390 -25.700 1.00 31.23 N ATOM 0 H LYS A 76 8.108 14.142 -24.327 1.00 41.34 H new ATOM 0 HA LYS A 76 6.827 12.016 -25.742 1.00 33.31 H new ATOM 0 HB2 LYS A 76 8.735 10.462 -25.761 1.00 55.14 H new ATOM 0 HB3 LYS A 76 9.023 11.829 -26.820 1.00 55.14 H new ATOM 0 HG2 LYS A 76 10.046 11.904 -23.985 1.00 21.22 H new ATOM 0 HG3 LYS A 76 10.912 10.979 -25.196 1.00 21.22 H new ATOM 0 HD2 LYS A 76 10.752 13.165 -26.643 1.00 64.12 H new ATOM 0 HD3 LYS A 76 10.384 13.957 -25.123 1.00 64.12 H new ATOM 0 HE2 LYS A 76 12.494 13.044 -24.146 1.00 52.23 H new ATOM 0 HE3 LYS A 76 12.864 12.276 -25.678 1.00 52.23 H new ATOM 0 HZ1 LYS A 76 14.018 14.379 -25.451 1.00 31.23 H new ATOM 0 HZ2 LYS A 76 12.907 14.463 -26.733 1.00 31.23 H new ATOM 0 HZ3 LYS A 76 12.549 15.207 -25.249 1.00 31.23 H new ATOM 1172 N ILE A 77 6.727 10.741 -23.558 1.00 13.41 N ATOM 1173 CA ILE A 77 6.449 10.201 -22.233 1.00 4.43 C ATOM 1174 C ILE A 77 6.752 8.708 -22.173 1.00 42.13 C ATOM 1175 O ILE A 77 6.136 7.911 -22.880 1.00 73.42 O ATOM 1176 CB ILE A 77 4.982 10.433 -21.826 1.00 61.12 C ATOM 1177 CG1 ILE A 77 4.577 11.883 -22.098 1.00 44.12 C ATOM 1178 CG2 ILE A 77 4.778 10.087 -20.359 1.00 22.32 C ATOM 1179 CD1 ILE A 77 5.374 12.892 -21.302 1.00 1.44 C ATOM 0 H ILE A 77 6.273 10.239 -24.322 1.00 13.41 H new ATOM 0 HA ILE A 77 7.098 10.729 -21.535 1.00 4.43 H new ATOM 0 HB ILE A 77 4.347 9.780 -22.425 1.00 61.12 H new ATOM 0 HG12 ILE A 77 4.699 12.093 -23.161 1.00 44.12 H new ATOM 0 HG13 ILE A 77 3.519 12.005 -21.868 1.00 44.12 H new ATOM 0 HG21 ILE A 77 3.736 10.256 -20.087 1.00 22.32 H new ATOM 0 HG22 ILE A 77 5.031 9.040 -20.194 1.00 22.32 H new ATOM 0 HG23 ILE A 77 5.421 10.717 -19.744 1.00 22.32 H new ATOM 0 HD11 ILE A 77 5.033 13.898 -21.545 1.00 1.44 H new ATOM 0 HD12 ILE A 77 5.233 12.709 -20.237 1.00 1.44 H new ATOM 0 HD13 ILE A 77 6.431 12.797 -21.549 1.00 1.44 H new ATOM 1191 N ASP A 78 7.704 8.336 -21.324 1.00 52.52 N ATOM 1192 CA ASP A 78 8.087 6.938 -21.169 1.00 70.15 C ATOM 1193 C ASP A 78 7.247 6.260 -20.091 1.00 41.52 C ATOM 1194 O ASP A 78 7.142 6.756 -18.969 1.00 75.21 O ATOM 1195 CB ASP A 78 9.572 6.829 -20.820 1.00 0.40 C ATOM 1196 CG ASP A 78 10.451 6.733 -22.051 1.00 61.23 C ATOM 1197 OD1 ASP A 78 10.468 5.657 -22.685 1.00 54.10 O ATOM 1198 OD2 ASP A 78 11.123 7.733 -22.381 1.00 23.31 O ATOM 0 H ASP A 78 8.225 8.984 -20.733 1.00 52.52 H new ATOM 0 HA ASP A 78 7.907 6.431 -22.117 1.00 70.15 H new ATOM 0 HB2 ASP A 78 9.869 7.698 -20.232 1.00 0.40 H new ATOM 0 HB3 ASP A 78 9.732 5.951 -20.194 1.00 0.40 H new ATOM 1203 N VAL A 79 6.650 5.125 -20.439 1.00 40.04 N ATOM 1204 CA VAL A 79 5.819 4.379 -19.502 1.00 2.23 C ATOM 1205 C VAL A 79 5.994 2.876 -19.688 1.00 13.21 C ATOM 1206 O VAL A 79 6.357 2.413 -20.769 1.00 60.24 O ATOM 1207 CB VAL A 79 4.330 4.736 -19.665 1.00 12.22 C ATOM 1208 CG1 VAL A 79 4.129 6.242 -19.584 1.00 64.21 C ATOM 1209 CG2 VAL A 79 3.792 4.188 -20.978 1.00 33.02 C ATOM 0 H VAL A 79 6.726 4.702 -21.364 1.00 40.04 H new ATOM 0 HA VAL A 79 6.144 4.658 -18.500 1.00 2.23 H new ATOM 0 HB VAL A 79 3.773 4.275 -18.849 1.00 12.22 H new ATOM 0 HG11 VAL A 79 3.071 6.475 -19.701 1.00 64.21 H new ATOM 0 HG12 VAL A 79 4.475 6.604 -18.616 1.00 64.21 H new ATOM 0 HG13 VAL A 79 4.697 6.728 -20.377 1.00 64.21 H new ATOM 0 HG21 VAL A 79 2.738 4.449 -21.077 1.00 33.02 H new ATOM 0 HG22 VAL A 79 4.352 4.618 -21.808 1.00 33.02 H new ATOM 0 HG23 VAL A 79 3.899 3.103 -20.991 1.00 33.02 H new ATOM 1219 N ILE A 80 5.732 2.120 -18.627 1.00 61.13 N ATOM 1220 CA ILE A 80 5.859 0.669 -18.675 1.00 33.44 C ATOM 1221 C ILE A 80 4.492 0.001 -18.777 1.00 33.40 C ATOM 1222 O ILE A 80 3.664 0.118 -17.874 1.00 60.11 O ATOM 1223 CB ILE A 80 6.591 0.127 -17.433 1.00 33.43 C ATOM 1224 CG1 ILE A 80 8.105 0.252 -17.611 1.00 62.33 C ATOM 1225 CG2 ILE A 80 6.200 -1.321 -17.177 1.00 71.44 C ATOM 1226 CD1 ILE A 80 8.676 -0.716 -18.624 1.00 41.01 C ATOM 0 H ILE A 80 5.431 2.488 -17.725 1.00 61.13 H new ATOM 0 HA ILE A 80 6.444 0.432 -19.564 1.00 33.44 H new ATOM 0 HB ILE A 80 6.296 0.721 -16.568 1.00 33.43 H new ATOM 0 HG12 ILE A 80 8.344 1.270 -17.919 1.00 62.33 H new ATOM 0 HG13 ILE A 80 8.591 0.087 -16.649 1.00 62.33 H new ATOM 0 HG21 ILE A 80 6.726 -1.690 -16.296 1.00 71.44 H new ATOM 0 HG22 ILE A 80 5.125 -1.383 -17.010 1.00 71.44 H new ATOM 0 HG23 ILE A 80 6.469 -1.929 -18.041 1.00 71.44 H new ATOM 0 HD11 ILE A 80 9.754 -0.571 -18.699 1.00 41.01 H new ATOM 0 HD12 ILE A 80 8.468 -1.738 -18.308 1.00 41.01 H new ATOM 0 HD13 ILE A 80 8.218 -0.537 -19.597 1.00 41.01 H new ATOM 1238 N GLU A 81 4.264 -0.702 -19.882 1.00 54.44 N ATOM 1239 CA GLU A 81 2.997 -1.390 -20.102 1.00 13.53 C ATOM 1240 C GLU A 81 3.155 -2.895 -19.909 1.00 74.10 C ATOM 1241 O GLU A 81 4.248 -3.440 -20.066 1.00 34.11 O ATOM 1242 CB GLU A 81 2.469 -1.097 -21.508 1.00 13.13 C ATOM 1243 CG GLU A 81 2.174 0.373 -21.753 1.00 53.33 C ATOM 1244 CD GLU A 81 2.448 0.792 -23.185 1.00 14.13 C ATOM 1245 OE1 GLU A 81 2.477 -0.091 -24.067 1.00 33.22 O ATOM 1246 OE2 GLU A 81 2.633 2.004 -23.422 1.00 53.24 O ATOM 0 H GLU A 81 4.940 -0.810 -20.638 1.00 54.44 H new ATOM 0 HA GLU A 81 2.280 -1.020 -19.369 1.00 13.53 H new ATOM 0 HB2 GLU A 81 3.200 -1.439 -22.240 1.00 13.13 H new ATOM 0 HB3 GLU A 81 1.559 -1.674 -21.673 1.00 13.13 H new ATOM 0 HG2 GLU A 81 1.130 0.575 -21.512 1.00 53.33 H new ATOM 0 HG3 GLU A 81 2.780 0.979 -21.079 1.00 53.33 H new ATOM 1253 N ILE A 82 2.056 -3.560 -19.568 1.00 22.23 N ATOM 1254 CA ILE A 82 2.072 -5.002 -19.354 1.00 2.00 C ATOM 1255 C ILE A 82 1.534 -5.744 -20.573 1.00 25.34 C ATOM 1256 O ILE A 82 0.490 -5.389 -21.119 1.00 1.32 O ATOM 1257 CB ILE A 82 1.242 -5.397 -18.119 1.00 31.35 C ATOM 1258 CG1 ILE A 82 1.664 -4.566 -16.906 1.00 4.53 C ATOM 1259 CG2 ILE A 82 1.397 -6.883 -17.829 1.00 45.30 C ATOM 1260 CD1 ILE A 82 3.124 -4.725 -16.542 1.00 70.32 C ATOM 0 H ILE A 82 1.144 -3.123 -19.434 1.00 22.23 H new ATOM 0 HA ILE A 82 3.111 -5.285 -19.188 1.00 2.00 H new ATOM 0 HB ILE A 82 0.191 -5.195 -18.327 1.00 31.35 H new ATOM 0 HG12 ILE A 82 1.461 -3.514 -17.108 1.00 4.53 H new ATOM 0 HG13 ILE A 82 1.052 -4.850 -16.050 1.00 4.53 H new ATOM 0 HG21 ILE A 82 0.804 -7.147 -16.953 1.00 45.30 H new ATOM 0 HG22 ILE A 82 1.052 -7.459 -18.687 1.00 45.30 H new ATOM 0 HG23 ILE A 82 2.446 -7.109 -17.638 1.00 45.30 H new ATOM 0 HD11 ILE A 82 3.352 -4.107 -15.673 1.00 70.32 H new ATOM 0 HD12 ILE A 82 3.329 -5.770 -16.308 1.00 70.32 H new ATOM 0 HD13 ILE A 82 3.744 -4.413 -17.382 1.00 70.32 H new ATOM 1272 N VAL A 83 2.254 -6.779 -20.993 1.00 65.55 N ATOM 1273 CA VAL A 83 1.849 -7.575 -22.146 1.00 53.10 C ATOM 1274 C VAL A 83 2.122 -9.057 -21.915 1.00 10.23 C ATOM 1275 O VAL A 83 3.198 -9.452 -21.466 1.00 31.43 O ATOM 1276 CB VAL A 83 2.579 -7.123 -23.425 1.00 35.01 C ATOM 1277 CG1 VAL A 83 4.086 -7.220 -23.243 1.00 35.35 C ATOM 1278 CG2 VAL A 83 2.123 -7.950 -24.618 1.00 41.40 C ATOM 0 H VAL A 83 3.121 -7.086 -20.552 1.00 65.55 H new ATOM 0 HA VAL A 83 0.777 -7.422 -22.275 1.00 53.10 H new ATOM 0 HB VAL A 83 2.327 -6.080 -23.617 1.00 35.01 H new ATOM 0 HG11 VAL A 83 4.584 -6.897 -24.157 1.00 35.35 H new ATOM 0 HG12 VAL A 83 4.394 -6.581 -22.416 1.00 35.35 H new ATOM 0 HG13 VAL A 83 4.361 -8.252 -23.026 1.00 35.35 H new ATOM 0 HG21 VAL A 83 2.648 -7.618 -25.513 1.00 41.40 H new ATOM 0 HG22 VAL A 83 2.344 -9.002 -24.437 1.00 41.40 H new ATOM 0 HG23 VAL A 83 1.050 -7.824 -24.759 1.00 41.40 H new ATOM 1288 N PRO A 84 1.126 -9.898 -22.229 1.00 34.25 N ATOM 1289 CA PRO A 84 1.235 -11.351 -22.064 1.00 51.23 C ATOM 1290 C PRO A 84 2.207 -11.975 -23.059 1.00 60.24 C ATOM 1291 O PRO A 84 2.379 -11.475 -24.171 1.00 1.40 O ATOM 1292 CB PRO A 84 -0.190 -11.846 -22.326 1.00 42.52 C ATOM 1293 CG PRO A 84 -0.800 -10.800 -23.195 1.00 32.25 C ATOM 1294 CD PRO A 84 -0.184 -9.496 -22.768 1.00 71.33 C ATOM 0 HA PRO A 84 1.621 -11.622 -21.081 1.00 51.23 H new ATOM 0 HB2 PRO A 84 -0.187 -12.818 -22.819 1.00 42.52 H new ATOM 0 HB3 PRO A 84 -0.746 -11.962 -21.396 1.00 42.52 H new ATOM 0 HG2 PRO A 84 -0.599 -11.001 -24.247 1.00 32.25 H new ATOM 0 HG3 PRO A 84 -1.883 -10.777 -23.077 1.00 32.25 H new ATOM 0 HD2 PRO A 84 -0.079 -8.807 -23.606 1.00 71.33 H new ATOM 0 HD3 PRO A 84 -0.791 -8.992 -22.016 1.00 71.33 H new ATOM 1302 N ASP A 85 2.840 -13.071 -22.654 1.00 14.55 N ATOM 1303 CA ASP A 85 3.794 -13.764 -23.511 1.00 33.43 C ATOM 1304 C ASP A 85 3.082 -14.758 -24.423 1.00 53.04 C ATOM 1305 O ASP A 85 3.575 -15.091 -25.500 1.00 22.41 O ATOM 1306 CB ASP A 85 4.839 -14.491 -22.663 1.00 3.41 C ATOM 1307 CG ASP A 85 5.817 -15.286 -23.505 1.00 50.14 C ATOM 1308 OD1 ASP A 85 6.045 -14.902 -24.672 1.00 13.11 O ATOM 1309 OD2 ASP A 85 6.355 -16.292 -22.998 1.00 41.10 O ATOM 0 H ASP A 85 2.709 -13.498 -21.737 1.00 14.55 H new ATOM 0 HA ASP A 85 4.294 -13.021 -24.132 1.00 33.43 H new ATOM 0 HB2 ASP A 85 5.387 -13.763 -22.065 1.00 3.41 H new ATOM 0 HB3 ASP A 85 4.335 -15.161 -21.967 1.00 3.41 H new ATOM 1314 N GLY A 86 1.918 -15.229 -23.984 1.00 41.55 N ATOM 1315 CA GLY A 86 1.158 -16.180 -24.773 1.00 73.23 C ATOM 1316 C GLY A 86 0.784 -17.419 -23.984 1.00 73.44 C ATOM 1317 O GLY A 86 -0.292 -17.984 -24.178 1.00 32.20 O ATOM 0 H GLY A 86 1.489 -14.969 -23.096 1.00 41.55 H new ATOM 0 HA2 GLY A 86 0.251 -15.700 -25.141 1.00 73.23 H new ATOM 0 HA3 GLY A 86 1.741 -16.471 -25.646 1.00 73.23 H new ATOM 1321 N GLU A 87 1.675 -17.844 -23.094 1.00 10.41 N ATOM 1322 CA GLU A 87 1.433 -19.026 -22.275 1.00 52.23 C ATOM 1323 C GLU A 87 0.631 -18.668 -21.027 1.00 71.32 C ATOM 1324 O GLU A 87 -0.062 -19.511 -20.459 1.00 31.02 O ATOM 1325 CB GLU A 87 2.758 -19.676 -21.874 1.00 65.13 C ATOM 1326 CG GLU A 87 3.767 -19.751 -23.008 1.00 61.22 C ATOM 1327 CD GLU A 87 4.639 -20.989 -22.932 1.00 61.52 C ATOM 1328 OE1 GLU A 87 4.619 -21.665 -21.882 1.00 32.01 O ATOM 1329 OE2 GLU A 87 5.341 -21.283 -23.922 1.00 5.10 O ATOM 0 H GLU A 87 2.571 -17.388 -22.922 1.00 10.41 H new ATOM 0 HA GLU A 87 0.854 -19.735 -22.867 1.00 52.23 H new ATOM 0 HB2 GLU A 87 3.194 -19.114 -21.048 1.00 65.13 H new ATOM 0 HB3 GLU A 87 2.562 -20.683 -21.506 1.00 65.13 H new ATOM 0 HG2 GLU A 87 3.238 -19.742 -23.961 1.00 61.22 H new ATOM 0 HG3 GLU A 87 4.400 -18.864 -22.986 1.00 61.22 H new ATOM 1336 N GLY A 88 0.732 -17.411 -20.606 1.00 34.11 N ATOM 1337 CA GLY A 88 0.012 -16.964 -19.428 1.00 11.51 C ATOM 1338 C GLY A 88 0.810 -15.975 -18.602 1.00 1.43 C ATOM 1339 O GLY A 88 0.257 -15.274 -17.756 1.00 12.44 O ATOM 0 H GLY A 88 1.299 -16.695 -21.059 1.00 34.11 H new ATOM 0 HA2 GLY A 88 -0.928 -16.503 -19.733 1.00 11.51 H new ATOM 0 HA3 GLY A 88 -0.241 -17.827 -18.812 1.00 11.51 H new ATOM 1343 N ASN A 89 2.115 -15.919 -18.846 1.00 63.03 N ATOM 1344 CA ASN A 89 2.992 -15.010 -18.116 1.00 54.05 C ATOM 1345 C ASN A 89 2.963 -13.615 -18.733 1.00 44.23 C ATOM 1346 O ASN A 89 2.719 -13.459 -19.930 1.00 22.13 O ATOM 1347 CB ASN A 89 4.424 -15.547 -18.107 1.00 43.04 C ATOM 1348 CG ASN A 89 5.114 -15.377 -19.447 1.00 72.24 C ATOM 1349 OD1 ASN A 89 5.470 -14.265 -19.838 1.00 71.43 O ATOM 1350 ND2 ASN A 89 5.305 -16.482 -20.158 1.00 61.34 N ATOM 0 H ASN A 89 2.589 -16.492 -19.544 1.00 63.03 H new ATOM 0 HA ASN A 89 2.631 -14.942 -17.090 1.00 54.05 H new ATOM 0 HB2 ASN A 89 4.998 -15.030 -17.338 1.00 43.04 H new ATOM 0 HB3 ASN A 89 4.411 -16.604 -17.839 1.00 43.04 H new ATOM 0 HD21 ASN A 89 5.763 -16.430 -21.068 1.00 61.34 H new ATOM 0 HD22 ASN A 89 4.993 -17.383 -19.794 1.00 61.34 H new ATOM 1357 N TRP A 90 3.215 -12.605 -17.909 1.00 4.31 N ATOM 1358 CA TRP A 90 3.220 -11.222 -18.373 1.00 75.15 C ATOM 1359 C TRP A 90 4.643 -10.685 -18.471 1.00 41.03 C ATOM 1360 O TRP A 90 5.562 -11.217 -17.848 1.00 24.41 O ATOM 1361 CB TRP A 90 2.393 -10.344 -17.432 1.00 44.24 C ATOM 1362 CG TRP A 90 0.976 -10.807 -17.278 1.00 64.14 C ATOM 1363 CD1 TRP A 90 0.511 -11.742 -16.399 1.00 31.33 C ATOM 1364 CD2 TRP A 90 -0.158 -10.358 -18.027 1.00 13.41 C ATOM 1365 NE1 TRP A 90 -0.845 -11.901 -16.555 1.00 61.33 N ATOM 1366 CE2 TRP A 90 -1.280 -11.063 -17.547 1.00 44.42 C ATOM 1367 CE3 TRP A 90 -0.337 -9.427 -19.054 1.00 22.01 C ATOM 1368 CZ2 TRP A 90 -2.558 -10.865 -18.061 1.00 73.45 C ATOM 1369 CZ3 TRP A 90 -1.606 -9.233 -19.563 1.00 55.35 C ATOM 1370 CH2 TRP A 90 -2.704 -9.948 -19.067 1.00 20.34 C ATOM 0 H TRP A 90 3.419 -12.717 -16.916 1.00 4.31 H new ATOM 0 HA TRP A 90 2.774 -11.197 -19.367 1.00 75.15 H new ATOM 0 HB2 TRP A 90 2.870 -10.325 -16.452 1.00 44.24 H new ATOM 0 HB3 TRP A 90 2.394 -9.321 -17.807 1.00 44.24 H new ATOM 0 HD1 TRP A 90 1.119 -12.278 -15.686 1.00 31.33 H new ATOM 0 HE1 TRP A 90 -1.432 -12.540 -16.019 1.00 61.33 H new ATOM 0 HE3 TRP A 90 0.502 -8.869 -19.443 1.00 22.01 H new ATOM 0 HZ2 TRP A 90 -3.405 -11.416 -17.680 1.00 73.45 H new ATOM 0 HZ3 TRP A 90 -1.755 -8.517 -20.358 1.00 55.35 H new ATOM 0 HH2 TRP A 90 -3.684 -9.773 -19.486 1.00 20.34 H new ATOM 1381 N LEU A 91 4.819 -9.628 -19.257 1.00 23.15 N ATOM 1382 CA LEU A 91 6.132 -9.018 -19.436 1.00 25.35 C ATOM 1383 C LEU A 91 6.023 -7.498 -19.499 1.00 20.34 C ATOM 1384 O LEU A 91 4.967 -6.956 -19.821 1.00 53.12 O ATOM 1385 CB LEU A 91 6.792 -9.547 -20.710 1.00 45.23 C ATOM 1386 CG LEU A 91 8.245 -10.006 -20.574 1.00 13.44 C ATOM 1387 CD1 LEU A 91 8.364 -11.093 -19.517 1.00 12.10 C ATOM 1388 CD2 LEU A 91 8.776 -10.499 -21.911 1.00 42.05 C ATOM 0 H LEU A 91 4.069 -9.176 -19.780 1.00 23.15 H new ATOM 0 HA LEU A 91 6.749 -9.284 -18.577 1.00 25.35 H new ATOM 0 HB2 LEU A 91 6.201 -10.384 -21.080 1.00 45.23 H new ATOM 0 HB3 LEU A 91 6.748 -8.766 -21.469 1.00 45.23 H new ATOM 0 HG LEU A 91 8.847 -9.154 -20.259 1.00 13.44 H new ATOM 0 HD11 LEU A 91 9.404 -11.407 -19.434 1.00 12.10 H new ATOM 0 HD12 LEU A 91 8.024 -10.705 -18.557 1.00 12.10 H new ATOM 0 HD13 LEU A 91 7.749 -11.946 -19.802 1.00 12.10 H new ATOM 0 HD21 LEU A 91 9.811 -10.821 -21.795 1.00 42.05 H new ATOM 0 HD22 LEU A 91 8.171 -11.338 -22.256 1.00 42.05 H new ATOM 0 HD23 LEU A 91 8.727 -9.692 -22.642 1.00 42.05 H new ATOM 1400 N GLU A 92 7.122 -6.818 -19.190 1.00 44.51 N ATOM 1401 CA GLU A 92 7.149 -5.360 -19.213 1.00 42.24 C ATOM 1402 C GLU A 92 7.421 -4.843 -20.623 1.00 62.02 C ATOM 1403 O GLU A 92 8.157 -5.463 -21.392 1.00 1.55 O ATOM 1404 CB GLU A 92 8.215 -4.832 -18.250 1.00 53.35 C ATOM 1405 CG GLU A 92 9.627 -5.258 -18.612 1.00 64.44 C ATOM 1406 CD GLU A 92 10.037 -6.553 -17.937 1.00 51.11 C ATOM 1407 OE1 GLU A 92 9.179 -7.176 -17.278 1.00 31.02 O ATOM 1408 OE2 GLU A 92 11.216 -6.943 -18.069 1.00 1.43 O ATOM 0 H GLU A 92 8.005 -7.252 -18.921 1.00 44.51 H new ATOM 0 HA GLU A 92 6.171 -4.999 -18.894 1.00 42.24 H new ATOM 0 HB2 GLU A 92 8.167 -3.743 -18.230 1.00 53.35 H new ATOM 0 HB3 GLU A 92 7.987 -5.180 -17.243 1.00 53.35 H new ATOM 0 HG2 GLU A 92 9.701 -5.377 -19.693 1.00 64.44 H new ATOM 0 HG3 GLU A 92 10.324 -4.469 -18.330 1.00 64.44 H new ATOM 1415 N ARG A 93 6.821 -3.705 -20.956 1.00 4.43 N ATOM 1416 CA ARG A 93 6.997 -3.105 -22.273 1.00 31.00 C ATOM 1417 C ARG A 93 7.120 -1.588 -22.168 1.00 13.33 C ATOM 1418 O ARG A 93 6.130 -0.856 -22.206 1.00 62.14 O ATOM 1419 CB ARG A 93 5.823 -3.470 -23.184 1.00 22.54 C ATOM 1420 CG ARG A 93 6.190 -3.526 -24.658 1.00 1.15 C ATOM 1421 CD ARG A 93 6.835 -4.854 -25.022 1.00 20.15 C ATOM 1422 NE ARG A 93 7.139 -4.942 -26.447 1.00 65.21 N ATOM 1423 CZ ARG A 93 6.216 -5.112 -27.387 1.00 30.43 C ATOM 1424 NH1 ARG A 93 4.937 -5.212 -27.053 1.00 54.31 N ATOM 1425 NH2 ARG A 93 6.572 -5.183 -28.663 1.00 55.11 N ATOM 0 H ARG A 93 6.209 -3.180 -20.332 1.00 4.43 H new ATOM 0 HA ARG A 93 7.918 -3.498 -22.703 1.00 31.00 H new ATOM 0 HB2 ARG A 93 5.426 -4.439 -22.880 1.00 22.54 H new ATOM 0 HB3 ARG A 93 5.025 -2.740 -23.044 1.00 22.54 H new ATOM 0 HG2 ARG A 93 5.295 -3.377 -25.263 1.00 1.15 H new ATOM 0 HG3 ARG A 93 6.874 -2.711 -24.895 1.00 1.15 H new ATOM 0 HD2 ARG A 93 7.752 -4.981 -24.447 1.00 20.15 H new ATOM 0 HD3 ARG A 93 6.168 -5.670 -24.743 1.00 20.15 H new ATOM 0 HE ARG A 93 8.114 -4.869 -26.737 1.00 65.21 H new ATOM 0 HH11 ARG A 93 4.660 -5.158 -26.073 1.00 54.31 H new ATOM 0 HH12 ARG A 93 4.230 -5.342 -27.776 1.00 54.31 H new ATOM 0 HH21 ARG A 93 7.555 -5.107 -28.923 1.00 55.11 H new ATOM 0 HH22 ARG A 93 5.862 -5.314 -29.384 1.00 55.11 H new ATOM 1439 N PRO A 94 8.363 -1.102 -22.031 1.00 34.42 N ATOM 1440 CA PRO A 94 8.644 0.332 -21.917 1.00 64.41 C ATOM 1441 C PRO A 94 8.392 1.077 -23.223 1.00 13.41 C ATOM 1442 O PRO A 94 9.252 1.117 -24.103 1.00 21.14 O ATOM 1443 CB PRO A 94 10.131 0.373 -21.557 1.00 5.44 C ATOM 1444 CG PRO A 94 10.688 -0.898 -22.098 1.00 3.01 C ATOM 1445 CD PRO A 94 9.589 -1.916 -21.977 1.00 74.31 C ATOM 0 HA PRO A 94 8.000 0.817 -21.184 1.00 64.41 H new ATOM 0 HB2 PRO A 94 10.621 1.240 -22.000 1.00 5.44 H new ATOM 0 HB3 PRO A 94 10.275 0.441 -20.479 1.00 5.44 H new ATOM 0 HG2 PRO A 94 10.996 -0.778 -23.137 1.00 3.01 H new ATOM 0 HG3 PRO A 94 11.570 -1.207 -21.537 1.00 3.01 H new ATOM 0 HD2 PRO A 94 9.624 -2.644 -22.788 1.00 74.31 H new ATOM 0 HD3 PRO A 94 9.660 -2.475 -21.044 1.00 74.31 H new ATOM 1453 N ARG A 95 7.207 1.668 -23.342 1.00 70.32 N ATOM 1454 CA ARG A 95 6.841 2.412 -24.541 1.00 64.24 C ATOM 1455 C ARG A 95 6.990 3.914 -24.316 1.00 21.41 C ATOM 1456 O ARG A 95 7.003 4.382 -23.178 1.00 1.23 O ATOM 1457 CB ARG A 95 5.404 2.087 -24.951 1.00 34.44 C ATOM 1458 CG ARG A 95 5.018 2.642 -26.312 1.00 34.50 C ATOM 1459 CD ARG A 95 3.958 1.782 -26.984 1.00 1.12 C ATOM 1460 NE ARG A 95 3.645 2.253 -28.330 1.00 74.33 N ATOM 1461 CZ ARG A 95 2.543 1.912 -28.990 1.00 12.42 C ATOM 1462 NH1 ARG A 95 1.654 1.104 -28.430 1.00 21.54 N ATOM 1463 NH2 ARG A 95 2.328 2.382 -30.212 1.00 61.12 N ATOM 0 H ARG A 95 6.484 1.646 -22.622 1.00 70.32 H new ATOM 0 HA ARG A 95 7.516 2.113 -25.343 1.00 64.24 H new ATOM 0 HB2 ARG A 95 5.274 1.005 -24.959 1.00 34.44 H new ATOM 0 HB3 ARG A 95 4.722 2.485 -24.199 1.00 34.44 H new ATOM 0 HG2 ARG A 95 4.644 3.660 -26.199 1.00 34.50 H new ATOM 0 HG3 ARG A 95 5.901 2.696 -26.948 1.00 34.50 H new ATOM 0 HD2 ARG A 95 4.306 0.750 -27.033 1.00 1.12 H new ATOM 0 HD3 ARG A 95 3.051 1.785 -26.379 1.00 1.12 H new ATOM 0 HE ARG A 95 4.308 2.878 -28.789 1.00 74.33 H new ATOM 0 HH11 ARG A 95 1.815 0.742 -27.490 1.00 21.54 H new ATOM 0 HH12 ARG A 95 0.809 0.844 -28.939 1.00 21.54 H new ATOM 0 HH21 ARG A 95 3.009 3.006 -30.646 1.00 61.12 H new ATOM 0 HH22 ARG A 95 1.482 2.120 -30.718 1.00 61.12 H new ATOM 1477 N SER A 96 7.103 4.663 -25.408 1.00 75.52 N ATOM 1478 CA SER A 96 7.255 6.111 -25.330 1.00 32.42 C ATOM 1479 C SER A 96 6.198 6.815 -26.175 1.00 74.40 C ATOM 1480 O SER A 96 6.084 6.572 -27.377 1.00 62.23 O ATOM 1481 CB SER A 96 8.653 6.524 -25.794 1.00 30.52 C ATOM 1482 OG SER A 96 9.413 5.395 -26.190 1.00 73.13 O ATOM 0 H SER A 96 7.092 4.291 -26.358 1.00 75.52 H new ATOM 0 HA SER A 96 7.122 6.410 -24.290 1.00 32.42 H new ATOM 0 HB2 SER A 96 8.572 7.222 -26.627 1.00 30.52 H new ATOM 0 HB3 SER A 96 9.167 7.048 -24.988 1.00 30.52 H new ATOM 0 HG SER A 96 10.302 5.686 -26.484 1.00 73.13 H new ATOM 1488 N LEU A 97 5.425 7.688 -25.538 1.00 65.10 N ATOM 1489 CA LEU A 97 4.376 8.429 -26.230 1.00 23.31 C ATOM 1490 C LEU A 97 4.855 9.827 -26.607 1.00 0.01 C ATOM 1491 O LEU A 97 4.952 10.713 -25.757 1.00 32.23 O ATOM 1492 CB LEU A 97 3.128 8.524 -25.351 1.00 51.40 C ATOM 1493 CG LEU A 97 2.801 7.288 -24.512 1.00 44.41 C ATOM 1494 CD1 LEU A 97 1.476 7.469 -23.789 1.00 74.12 C ATOM 1495 CD2 LEU A 97 2.769 6.044 -25.387 1.00 32.52 C ATOM 0 H LEU A 97 5.505 7.900 -24.543 1.00 65.10 H new ATOM 0 HA LEU A 97 4.128 7.892 -27.145 1.00 23.31 H new ATOM 0 HB2 LEU A 97 3.246 9.374 -24.679 1.00 51.40 H new ATOM 0 HB3 LEU A 97 2.273 8.740 -25.991 1.00 51.40 H new ATOM 0 HG LEU A 97 3.584 7.162 -23.764 1.00 44.41 H new ATOM 0 HD11 LEU A 97 1.260 6.580 -23.197 1.00 74.12 H new ATOM 0 HD12 LEU A 97 1.536 8.337 -23.132 1.00 74.12 H new ATOM 0 HD13 LEU A 97 0.681 7.621 -24.519 1.00 74.12 H new ATOM 0 HD21 LEU A 97 2.535 5.174 -24.774 1.00 32.52 H new ATOM 0 HD22 LEU A 97 2.007 6.161 -26.157 1.00 32.52 H new ATOM 0 HD23 LEU A 97 3.742 5.905 -25.858 1.00 32.52 H new ATOM 1507 N THR A 98 5.152 10.020 -27.888 1.00 70.03 N ATOM 1508 CA THR A 98 5.619 11.310 -28.379 1.00 4.33 C ATOM 1509 C THR A 98 4.456 12.273 -28.589 1.00 61.33 C ATOM 1510 O THR A 98 3.320 11.851 -28.812 1.00 23.23 O ATOM 1511 CB THR A 98 6.394 11.161 -29.702 1.00 13.51 C ATOM 1512 OG1 THR A 98 5.489 10.847 -30.766 1.00 70.42 O ATOM 1513 CG2 THR A 98 7.452 10.074 -29.590 1.00 53.15 C ATOM 0 H THR A 98 5.077 9.298 -28.605 1.00 70.03 H new ATOM 0 HA THR A 98 6.288 11.714 -27.619 1.00 4.33 H new ATOM 0 HB THR A 98 6.891 12.107 -29.916 1.00 13.51 H new ATOM 0 HG1 THR A 98 5.989 10.756 -31.604 1.00 70.42 H new ATOM 0 HG21 THR A 98 7.986 9.987 -30.536 1.00 53.15 H new ATOM 0 HG22 THR A 98 8.156 10.331 -28.798 1.00 53.15 H new ATOM 0 HG23 THR A 98 6.973 9.123 -29.355 1.00 53.15 H new ATOM 1521 N LEU A 99 4.745 13.567 -28.519 1.00 3.31 N ATOM 1522 CA LEU A 99 3.722 14.591 -28.703 1.00 23.11 C ATOM 1523 C LEU A 99 2.942 14.356 -29.992 1.00 63.44 C ATOM 1524 O LEU A 99 3.519 14.302 -31.079 1.00 20.01 O ATOM 1525 CB LEU A 99 4.362 15.980 -28.726 1.00 54.44 C ATOM 1526 CG LEU A 99 3.554 17.102 -28.072 1.00 60.10 C ATOM 1527 CD1 LEU A 99 3.540 16.938 -26.560 1.00 63.32 C ATOM 1528 CD2 LEU A 99 4.119 18.461 -28.458 1.00 4.14 C ATOM 0 H LEU A 99 5.679 13.933 -28.336 1.00 3.31 H new ATOM 0 HA LEU A 99 3.028 14.531 -27.865 1.00 23.11 H new ATOM 0 HB2 LEU A 99 5.331 15.920 -28.230 1.00 54.44 H new ATOM 0 HB3 LEU A 99 4.552 16.254 -29.764 1.00 54.44 H new ATOM 0 HG LEU A 99 2.527 17.042 -28.433 1.00 60.10 H new ATOM 0 HD11 LEU A 99 2.961 17.745 -26.112 1.00 63.32 H new ATOM 0 HD12 LEU A 99 3.088 15.980 -26.302 1.00 63.32 H new ATOM 0 HD13 LEU A 99 4.561 16.971 -26.181 1.00 63.32 H new ATOM 0 HD21 LEU A 99 3.532 19.247 -27.984 1.00 4.14 H new ATOM 0 HD22 LEU A 99 5.155 18.532 -28.127 1.00 4.14 H new ATOM 0 HD23 LEU A 99 4.076 18.579 -29.541 1.00 4.14 H new