USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=11 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 33 MET CE :methyl -115:sc= -2.39 (180deg=-8.28!) USER MOD Set 1.2: A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 THR OG1 : rot -55:sc= 0.731 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -2.41 K(o=-2.4,f=-4.9!) USER MOD Single : A 41 GLN : amide:sc= -0.605 K(o=-0.6,f=-2.2) 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 HE2:sc= -2.97 K(o=-3,f=-6.5!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -2.81! C(o=-2.8!,f=-9.1!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0.373 USER MOD Single : A 76 LYS NZ :NH3+ -156:sc=-0.00562 (180deg=-0.393) USER MOD Single : A 89 ASN : amide:sc= -2 X(o=-2,f=-2.1) 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 -12.744 4.516 -19.354 1.00 53.30 N ATOM 360 CA PHE A 22 -13.119 5.150 -20.613 1.00 35.13 C ATOM 361 C PHE A 22 -11.950 5.148 -21.592 1.00 44.43 C ATOM 362 O PHE A 22 -12.113 4.834 -22.772 1.00 50.11 O ATOM 363 CB PHE A 22 -13.590 6.585 -20.365 1.00 74.45 C ATOM 364 CG PHE A 22 -13.891 7.342 -21.627 1.00 14.52 C ATOM 365 CD1 PHE A 22 -14.920 6.941 -22.463 1.00 74.02 C ATOM 366 CD2 PHE A 22 -13.145 8.456 -21.976 1.00 42.23 C ATOM 367 CE1 PHE A 22 -15.200 7.636 -23.625 1.00 13.45 C ATOM 368 CE2 PHE A 22 -13.420 9.156 -23.136 1.00 33.30 C ATOM 369 CZ PHE A 22 -14.448 8.745 -23.962 1.00 34.33 C ATOM 0 HA PHE A 22 -13.937 4.577 -21.050 1.00 35.13 H new ATOM 0 HB2 PHE A 22 -14.484 6.563 -19.742 1.00 74.45 H new ATOM 0 HB3 PHE A 22 -12.823 7.119 -19.804 1.00 74.45 H new ATOM 0 HD1 PHE A 22 -15.511 6.075 -22.204 1.00 74.02 H new ATOM 0 HD2 PHE A 22 -12.339 8.781 -21.335 1.00 42.23 H new ATOM 0 HE1 PHE A 22 -16.005 7.313 -24.268 1.00 13.45 H new ATOM 0 HE2 PHE A 22 -12.832 10.023 -23.396 1.00 33.30 H new ATOM 0 HZ PHE A 22 -14.664 9.289 -24.869 1.00 34.33 H new ATOM 379 N LEU A 23 -10.769 5.502 -21.095 1.00 55.35 N ATOM 380 CA LEU A 23 -9.571 5.543 -21.926 1.00 23.21 C ATOM 381 C LEU A 23 -9.003 4.142 -22.131 1.00 41.11 C ATOM 382 O LEU A 23 -8.363 3.864 -23.145 1.00 11.33 O ATOM 383 CB LEU A 23 -8.514 6.445 -21.287 1.00 0.43 C ATOM 384 CG LEU A 23 -8.904 7.913 -21.107 1.00 73.21 C ATOM 385 CD1 LEU A 23 -9.597 8.438 -22.355 1.00 63.43 C ATOM 386 CD2 LEU A 23 -9.799 8.081 -19.888 1.00 12.31 C ATOM 0 H LEU A 23 -10.616 5.764 -20.121 1.00 55.35 H new ATOM 0 HA LEU A 23 -9.847 5.950 -22.899 1.00 23.21 H new ATOM 0 HB2 LEU A 23 -8.258 6.035 -20.310 1.00 0.43 H new ATOM 0 HB3 LEU A 23 -7.612 6.402 -21.897 1.00 0.43 H new ATOM 0 HG LEU A 23 -7.995 8.494 -20.949 1.00 73.21 H new ATOM 0 HD11 LEU A 23 -9.867 9.484 -22.208 1.00 63.43 H new ATOM 0 HD12 LEU A 23 -8.924 8.353 -23.208 1.00 63.43 H new ATOM 0 HD13 LEU A 23 -10.498 7.854 -22.544 1.00 63.43 H new ATOM 0 HD21 LEU A 23 -10.067 9.132 -19.775 1.00 12.31 H new ATOM 0 HD22 LEU A 23 -10.704 7.488 -20.017 1.00 12.31 H new ATOM 0 HD23 LEU A 23 -9.268 7.744 -18.998 1.00 12.31 H new ATOM 398 N GLU A 24 -9.244 3.264 -21.163 1.00 24.33 N ATOM 399 CA GLU A 24 -8.757 1.891 -21.239 1.00 2.32 C ATOM 400 C GLU A 24 -9.390 1.154 -22.415 1.00 60.13 C ATOM 401 O GLU A 24 -8.910 0.101 -22.833 1.00 33.34 O ATOM 402 CB GLU A 24 -9.056 1.147 -19.936 1.00 13.43 C ATOM 403 CG GLU A 24 -8.000 1.351 -18.862 1.00 74.22 C ATOM 404 CD GLU A 24 -7.108 0.138 -18.684 1.00 71.23 C ATOM 405 OE1 GLU A 24 -7.639 -0.993 -18.678 1.00 11.30 O ATOM 406 OE2 GLU A 24 -5.880 0.318 -18.551 1.00 42.53 O ATOM 0 H GLU A 24 -9.773 3.478 -20.318 1.00 24.33 H new ATOM 0 HA GLU A 24 -7.678 1.923 -21.391 1.00 2.32 H new ATOM 0 HB2 GLU A 24 -10.021 1.478 -19.552 1.00 13.43 H new ATOM 0 HB3 GLU A 24 -9.145 0.082 -20.148 1.00 13.43 H new ATOM 0 HG2 GLU A 24 -7.386 2.214 -19.120 1.00 74.22 H new ATOM 0 HG3 GLU A 24 -8.489 1.580 -17.915 1.00 74.22 H new ATOM 413 N GLY A 25 -10.472 1.716 -22.945 1.00 52.04 N ATOM 414 CA GLY A 25 -11.154 1.099 -24.068 1.00 34.22 C ATOM 415 C GLY A 25 -10.416 1.299 -25.376 1.00 50.14 C ATOM 416 O GLY A 25 -10.827 0.781 -26.415 1.00 22.10 O ATOM 0 H GLY A 25 -10.888 2.587 -22.617 1.00 52.04 H new ATOM 0 HA2 GLY A 25 -11.267 0.032 -23.878 1.00 34.22 H new ATOM 0 HA3 GLY A 25 -12.157 1.516 -24.153 1.00 34.22 H new ATOM 420 N PHE A 26 -9.324 2.054 -25.328 1.00 43.40 N ATOM 421 CA PHE A 26 -8.528 2.324 -26.520 1.00 3.44 C ATOM 422 C PHE A 26 -7.099 1.819 -26.345 1.00 64.31 C ATOM 423 O PHE A 26 -6.642 1.591 -25.226 1.00 2.53 O ATOM 424 CB PHE A 26 -8.517 3.824 -26.822 1.00 45.33 C ATOM 425 CG PHE A 26 -9.889 4.431 -26.898 1.00 65.32 C ATOM 426 CD1 PHE A 26 -10.561 4.802 -25.745 1.00 51.12 C ATOM 427 CD2 PHE A 26 -10.506 4.629 -28.123 1.00 21.22 C ATOM 428 CE1 PHE A 26 -11.824 5.361 -25.812 1.00 24.24 C ATOM 429 CE2 PHE A 26 -11.768 5.187 -28.195 1.00 50.34 C ATOM 430 CZ PHE A 26 -12.428 5.553 -27.038 1.00 72.44 C ATOM 0 H PHE A 26 -8.970 2.490 -24.477 1.00 43.40 H new ATOM 0 HA PHE A 26 -8.982 1.795 -27.358 1.00 3.44 H new ATOM 0 HB2 PHE A 26 -7.944 4.338 -26.050 1.00 45.33 H new ATOM 0 HB3 PHE A 26 -8.001 3.992 -27.767 1.00 45.33 H new ATOM 0 HD1 PHE A 26 -10.093 4.653 -24.783 1.00 51.12 H new ATOM 0 HD2 PHE A 26 -9.995 4.344 -29.031 1.00 21.22 H new ATOM 0 HE1 PHE A 26 -12.337 5.647 -24.906 1.00 24.24 H new ATOM 0 HE2 PHE A 26 -12.238 5.337 -29.156 1.00 50.34 H new ATOM 0 HZ PHE A 26 -13.415 5.989 -27.093 1.00 72.44 H new ATOM 440 N ASN A 27 -6.399 1.644 -27.461 1.00 45.44 N ATOM 441 CA ASN A 27 -5.022 1.164 -27.433 1.00 3.41 C ATOM 442 C ASN A 27 -4.139 2.094 -26.606 1.00 24.22 C ATOM 443 O ASN A 27 -4.407 3.291 -26.501 1.00 42.04 O ATOM 444 CB ASN A 27 -4.470 1.051 -28.855 1.00 62.44 C ATOM 445 CG ASN A 27 -4.703 -0.322 -29.458 1.00 4.52 C ATOM 446 OD1 ASN A 27 -4.042 -1.293 -29.090 1.00 33.30 O ATOM 447 ND2 ASN A 27 -5.645 -0.406 -30.389 1.00 73.42 N ATOM 0 H ASN A 27 -6.763 1.827 -28.396 1.00 45.44 H new ATOM 0 HA ASN A 27 -5.017 0.178 -26.969 1.00 3.41 H new ATOM 0 HB2 ASN A 27 -4.940 1.806 -29.485 1.00 62.44 H new ATOM 0 HB3 ASN A 27 -3.401 1.264 -28.845 1.00 62.44 H new ATOM 0 HD21 ASN A 27 -5.846 -1.303 -30.831 1.00 73.42 H new ATOM 0 HD22 ASN A 27 -6.168 0.426 -30.662 1.00 73.42 H new ATOM 454 N ILE A 28 -3.085 1.534 -26.021 1.00 11.14 N ATOM 455 CA ILE A 28 -2.162 2.313 -25.205 1.00 21.35 C ATOM 456 C ILE A 28 -1.127 3.023 -26.071 1.00 15.32 C ATOM 457 O ILE A 28 -0.561 4.040 -25.670 1.00 75.31 O ATOM 458 CB ILE A 28 -1.433 1.426 -24.178 1.00 11.15 C ATOM 459 CG1 ILE A 28 -0.636 2.291 -23.199 1.00 12.11 C ATOM 460 CG2 ILE A 28 -0.518 0.438 -24.886 1.00 33.15 C ATOM 461 CD1 ILE A 28 -1.496 3.240 -22.393 1.00 44.12 C ATOM 0 H ILE A 28 -2.849 0.545 -26.097 1.00 11.14 H new ATOM 0 HA ILE A 28 -2.759 3.055 -24.674 1.00 21.35 H new ATOM 0 HB ILE A 28 -2.176 0.863 -23.614 1.00 11.15 H new ATOM 0 HG12 ILE A 28 -0.088 1.642 -22.516 1.00 12.11 H new ATOM 0 HG13 ILE A 28 0.104 2.867 -23.755 1.00 12.11 H new ATOM 0 HG21 ILE A 28 -0.010 -0.181 -24.147 1.00 33.15 H new ATOM 0 HG22 ILE A 28 -1.109 -0.196 -25.547 1.00 33.15 H new ATOM 0 HG23 ILE A 28 0.222 0.983 -25.473 1.00 33.15 H new ATOM 0 HD11 ILE A 28 -0.865 3.821 -21.721 1.00 44.12 H new ATOM 0 HD12 ILE A 28 -2.025 3.914 -23.067 1.00 44.12 H new ATOM 0 HD13 ILE A 28 -2.219 2.670 -21.810 1.00 44.12 H new ATOM 473 N GLU A 29 -0.887 2.482 -27.261 1.00 34.52 N ATOM 474 CA GLU A 29 0.079 3.065 -28.184 1.00 55.02 C ATOM 475 C GLU A 29 -0.510 4.285 -28.888 1.00 24.22 C ATOM 476 O GLU A 29 0.218 5.186 -29.306 1.00 51.03 O ATOM 477 CB GLU A 29 0.518 2.028 -29.220 1.00 3.02 C ATOM 478 CG GLU A 29 -0.596 1.593 -30.157 1.00 1.02 C ATOM 479 CD GLU A 29 -0.097 0.718 -31.290 1.00 42.02 C ATOM 480 OE1 GLU A 29 1.019 0.170 -31.171 1.00 12.25 O ATOM 481 OE2 GLU A 29 -0.823 0.581 -32.297 1.00 41.21 O ATOM 0 H GLU A 29 -1.348 1.641 -27.608 1.00 34.52 H new ATOM 0 HA GLU A 29 0.948 3.383 -27.608 1.00 55.02 H new ATOM 0 HB2 GLU A 29 1.337 2.440 -29.810 1.00 3.02 H new ATOM 0 HB3 GLU A 29 0.908 1.152 -28.702 1.00 3.02 H new ATOM 0 HG2 GLU A 29 -1.352 1.050 -29.589 1.00 1.02 H new ATOM 0 HG3 GLU A 29 -1.082 2.476 -30.572 1.00 1.02 H new ATOM 488 N THR A 30 -1.833 4.306 -29.015 1.00 42.35 N ATOM 489 CA THR A 30 -2.520 5.413 -29.669 1.00 63.14 C ATOM 490 C THR A 30 -2.367 6.703 -28.872 1.00 0.01 C ATOM 491 O THR A 30 -2.540 7.799 -29.406 1.00 30.13 O ATOM 492 CB THR A 30 -4.019 5.112 -29.855 1.00 41.25 C ATOM 493 OG1 THR A 30 -4.622 4.827 -28.589 1.00 33.24 O ATOM 494 CG2 THR A 30 -4.222 3.934 -30.796 1.00 42.34 C ATOM 0 H THR A 30 -2.450 3.569 -28.674 1.00 42.35 H new ATOM 0 HA THR A 30 -2.058 5.538 -30.648 1.00 63.14 H new ATOM 0 HB THR A 30 -4.492 5.991 -30.292 1.00 41.25 H new ATOM 0 HG1 THR A 30 -4.138 4.094 -28.154 1.00 33.24 H new ATOM 0 HG21 THR A 30 -5.288 3.740 -30.912 1.00 42.34 H new ATOM 0 HG22 THR A 30 -3.788 4.166 -31.768 1.00 42.34 H new ATOM 0 HG23 THR A 30 -3.736 3.050 -30.383 1.00 42.34 H new ATOM 502 N PHE A 31 -2.041 6.566 -27.591 1.00 12.22 N ATOM 503 CA PHE A 31 -1.865 7.722 -26.719 1.00 72.11 C ATOM 504 C PHE A 31 -0.477 8.331 -26.897 1.00 35.01 C ATOM 505 O PHE A 31 0.431 7.688 -27.421 1.00 70.41 O ATOM 506 CB PHE A 31 -2.075 7.322 -25.257 1.00 73.53 C ATOM 507 CG PHE A 31 -3.430 6.732 -24.986 1.00 62.31 C ATOM 508 CD1 PHE A 31 -4.553 7.213 -25.639 1.00 50.01 C ATOM 509 CD2 PHE A 31 -3.580 5.696 -24.078 1.00 2.34 C ATOM 510 CE1 PHE A 31 -5.801 6.672 -25.392 1.00 41.32 C ATOM 511 CE2 PHE A 31 -4.825 5.151 -23.827 1.00 0.41 C ATOM 512 CZ PHE A 31 -5.937 5.641 -24.484 1.00 60.20 C ATOM 0 H PHE A 31 -1.893 5.666 -27.134 1.00 12.22 H new ATOM 0 HA PHE A 31 -2.609 8.470 -26.994 1.00 72.11 H new ATOM 0 HB2 PHE A 31 -1.310 6.600 -24.973 1.00 73.53 H new ATOM 0 HB3 PHE A 31 -1.936 8.199 -24.625 1.00 73.53 H new ATOM 0 HD1 PHE A 31 -4.452 8.020 -26.349 1.00 50.01 H new ATOM 0 HD2 PHE A 31 -2.714 5.310 -23.561 1.00 2.34 H new ATOM 0 HE1 PHE A 31 -6.668 7.055 -25.909 1.00 41.32 H new ATOM 0 HE2 PHE A 31 -4.928 4.343 -23.118 1.00 0.41 H new ATOM 0 HZ PHE A 31 -6.911 5.218 -24.288 1.00 60.20 H new ATOM 522 N GLU A 32 -0.323 9.576 -26.457 1.00 32.24 N ATOM 523 CA GLU A 32 0.953 10.272 -26.568 1.00 50.35 C ATOM 524 C GLU A 32 1.115 11.294 -25.447 1.00 2.21 C ATOM 525 O GLU A 32 0.209 12.081 -25.174 1.00 31.43 O ATOM 526 CB GLU A 32 1.062 10.968 -27.927 1.00 2.01 C ATOM 527 CG GLU A 32 0.901 10.026 -29.108 1.00 33.20 C ATOM 528 CD GLU A 32 1.012 10.738 -30.442 1.00 4.10 C ATOM 529 OE1 GLU A 32 0.944 11.985 -30.456 1.00 15.15 O ATOM 530 OE2 GLU A 32 1.168 10.049 -31.472 1.00 2.42 O ATOM 0 H GLU A 32 -1.066 10.123 -26.021 1.00 32.24 H new ATOM 0 HA GLU A 32 1.750 9.533 -26.480 1.00 50.35 H new ATOM 0 HB2 GLU A 32 0.302 11.747 -27.989 1.00 2.01 H new ATOM 0 HB3 GLU A 32 2.031 11.462 -27.996 1.00 2.01 H new ATOM 0 HG2 GLU A 32 1.661 9.246 -29.052 1.00 33.20 H new ATOM 0 HG3 GLU A 32 -0.068 9.532 -29.044 1.00 33.20 H new ATOM 537 N MET A 33 2.276 11.275 -24.801 1.00 4.43 N ATOM 538 CA MET A 33 2.558 12.200 -23.709 1.00 41.41 C ATOM 539 C MET A 33 2.383 13.646 -24.163 1.00 4.21 C ATOM 540 O MET A 33 3.128 14.135 -25.013 1.00 74.43 O ATOM 541 CB MET A 33 3.979 11.986 -23.185 1.00 3.53 C ATOM 542 CG MET A 33 4.427 13.047 -22.192 1.00 32.22 C ATOM 543 SD MET A 33 6.132 12.818 -21.653 1.00 22.04 S ATOM 544 CE MET A 33 6.305 14.173 -20.494 1.00 25.54 C ATOM 0 H MET A 33 3.037 10.630 -25.014 1.00 4.43 H new ATOM 0 HA MET A 33 1.849 12.002 -22.905 1.00 41.41 H new ATOM 0 HB2 MET A 33 4.039 11.007 -22.710 1.00 3.53 H new ATOM 0 HB3 MET A 33 4.670 11.974 -24.028 1.00 3.53 H new ATOM 0 HG2 MET A 33 4.323 14.032 -22.647 1.00 32.22 H new ATOM 0 HG3 MET A 33 3.769 13.026 -21.323 1.00 32.22 H new ATOM 0 HE1 MET A 33 7.043 14.882 -20.870 1.00 25.54 H new ATOM 0 HE2 MET A 33 5.345 14.676 -20.377 1.00 25.54 H new ATOM 0 HE3 MET A 33 6.633 13.787 -19.529 1.00 25.54 H new ATOM 554 N VAL A 34 1.395 14.326 -23.590 1.00 41.34 N ATOM 555 CA VAL A 34 1.123 15.717 -23.936 1.00 24.52 C ATOM 556 C VAL A 34 1.817 16.669 -22.968 1.00 63.24 C ATOM 557 O VAL A 34 2.088 17.822 -23.302 1.00 73.53 O ATOM 558 CB VAL A 34 -0.389 16.010 -23.932 1.00 45.55 C ATOM 559 CG1 VAL A 34 -0.986 15.720 -22.564 1.00 51.21 C ATOM 560 CG2 VAL A 34 -0.652 17.451 -24.344 1.00 4.35 C ATOM 0 H VAL A 34 0.770 13.937 -22.884 1.00 41.34 H new ATOM 0 HA VAL A 34 1.514 15.877 -24.941 1.00 24.52 H new ATOM 0 HB VAL A 34 -0.871 15.355 -24.657 1.00 45.55 H new ATOM 0 HG11 VAL A 34 -2.055 15.933 -22.581 1.00 51.21 H new ATOM 0 HG12 VAL A 34 -0.829 14.671 -22.313 1.00 51.21 H new ATOM 0 HG13 VAL A 34 -0.503 16.348 -21.816 1.00 51.21 H new ATOM 0 HG21 VAL A 34 -1.725 17.642 -24.336 1.00 4.35 H new ATOM 0 HG22 VAL A 34 -0.158 18.125 -23.644 1.00 4.35 H new ATOM 0 HG23 VAL A 34 -0.261 17.620 -25.347 1.00 4.35 H new ATOM 570 N GLY A 35 2.104 16.178 -21.766 1.00 72.13 N ATOM 571 CA GLY A 35 2.764 16.998 -20.768 1.00 45.32 C ATOM 572 C GLY A 35 3.074 16.230 -19.499 1.00 24.02 C ATOM 573 O GLY A 35 2.892 15.013 -19.439 1.00 51.54 O ATOM 0 H GLY A 35 1.891 15.227 -21.466 1.00 72.13 H new ATOM 0 HA2 GLY A 35 3.690 17.396 -21.184 1.00 45.32 H new ATOM 0 HA3 GLY A 35 2.130 17.852 -20.527 1.00 45.32 H new ATOM 577 N THR A 36 3.547 16.940 -18.479 1.00 51.41 N ATOM 578 CA THR A 36 3.886 16.318 -17.206 1.00 31.42 C ATOM 579 C THR A 36 3.821 17.327 -16.065 1.00 54.15 C ATOM 580 O THR A 36 4.463 18.377 -16.114 1.00 71.04 O ATOM 581 CB THR A 36 5.293 15.693 -17.243 1.00 63.32 C ATOM 582 OG1 THR A 36 6.075 16.308 -18.273 1.00 62.21 O ATOM 583 CG2 THR A 36 5.213 14.193 -17.487 1.00 43.32 C ATOM 0 H THR A 36 3.704 17.947 -18.511 1.00 51.41 H new ATOM 0 HA THR A 36 3.151 15.532 -17.034 1.00 31.42 H new ATOM 0 HB THR A 36 5.768 15.863 -16.277 1.00 63.32 H new ATOM 0 HG1 THR A 36 6.969 15.906 -18.289 1.00 62.21 H new ATOM 0 HG21 THR A 36 6.219 13.774 -17.509 1.00 43.32 H new ATOM 0 HG22 THR A 36 4.642 13.724 -16.686 1.00 43.32 H new ATOM 0 HG23 THR A 36 4.721 14.005 -18.441 1.00 43.32 H new ATOM 591 N LEU A 37 3.042 17.003 -15.039 1.00 52.41 N ATOM 592 CA LEU A 37 2.893 17.882 -13.884 1.00 42.44 C ATOM 593 C LEU A 37 3.693 17.359 -12.695 1.00 53.33 C ATOM 594 O LEU A 37 3.856 16.151 -12.528 1.00 23.21 O ATOM 595 CB LEU A 37 1.417 18.012 -13.504 1.00 23.02 C ATOM 596 CG LEU A 37 0.937 19.419 -13.146 1.00 44.01 C ATOM 597 CD1 LEU A 37 1.604 19.901 -11.867 1.00 50.31 C ATOM 598 CD2 LEU A 37 1.214 20.384 -14.290 1.00 73.32 C ATOM 0 H LEU A 37 2.504 16.138 -14.983 1.00 52.41 H new ATOM 0 HA LEU A 37 3.280 18.865 -14.154 1.00 42.44 H new ATOM 0 HB2 LEU A 37 0.815 17.645 -14.335 1.00 23.02 H new ATOM 0 HB3 LEU A 37 1.222 17.356 -12.655 1.00 23.02 H new ATOM 0 HG LEU A 37 -0.140 19.384 -12.979 1.00 44.01 H new ATOM 0 HD11 LEU A 37 1.250 20.904 -11.628 1.00 50.31 H new ATOM 0 HD12 LEU A 37 1.355 19.224 -11.050 1.00 50.31 H new ATOM 0 HD13 LEU A 37 2.685 19.921 -12.006 1.00 50.31 H new ATOM 0 HD21 LEU A 37 0.866 21.380 -14.018 1.00 73.32 H new ATOM 0 HD22 LEU A 37 2.285 20.415 -14.488 1.00 73.32 H new ATOM 0 HD23 LEU A 37 0.689 20.048 -15.184 1.00 73.32 H new ATOM 610 N SER A 38 4.187 18.278 -11.871 1.00 33.50 N ATOM 611 CA SER A 38 4.970 17.909 -10.698 1.00 5.12 C ATOM 612 C SER A 38 4.916 19.008 -9.641 1.00 43.31 C ATOM 613 O SER A 38 5.226 20.166 -9.918 1.00 53.22 O ATOM 614 CB SER A 38 6.423 17.638 -11.093 1.00 62.54 C ATOM 615 OG SER A 38 7.112 16.948 -10.064 1.00 54.14 O ATOM 0 H SER A 38 4.059 19.282 -11.994 1.00 33.50 H new ATOM 0 HA SER A 38 4.540 17.001 -10.276 1.00 5.12 H new ATOM 0 HB2 SER A 38 6.450 17.050 -12.010 1.00 62.54 H new ATOM 0 HB3 SER A 38 6.928 18.581 -11.304 1.00 62.54 H new ATOM 0 HG SER A 38 8.038 16.786 -10.342 1.00 54.14 H new ATOM 621 N ASN A 39 4.520 18.636 -8.428 1.00 63.54 N ATOM 622 CA ASN A 39 4.424 19.589 -7.329 1.00 44.00 C ATOM 623 C ASN A 39 4.320 18.866 -5.990 1.00 12.25 C ATOM 624 O ASN A 39 4.511 17.653 -5.911 1.00 2.12 O ATOM 625 CB ASN A 39 3.213 20.503 -7.524 1.00 2.43 C ATOM 626 CG ASN A 39 1.902 19.790 -7.260 1.00 35.34 C ATOM 627 OD1 ASN A 39 1.122 20.198 -6.399 1.00 1.33 O ATOM 628 ND2 ASN A 39 1.652 18.717 -8.001 1.00 62.32 N ATOM 0 H ASN A 39 4.260 17.681 -8.182 1.00 63.54 H new ATOM 0 HA ASN A 39 5.330 20.194 -7.325 1.00 44.00 H new ATOM 0 HB2 ASN A 39 3.298 21.361 -6.857 1.00 2.43 H new ATOM 0 HB3 ASN A 39 3.214 20.890 -8.543 1.00 2.43 H new ATOM 0 HD21 ASN A 39 0.785 18.196 -7.868 1.00 62.32 H new ATOM 0 HD22 ASN A 39 2.327 18.414 -8.704 1.00 62.32 H new ATOM 635 N ALA A 40 4.014 19.620 -4.939 1.00 2.23 N ATOM 636 CA ALA A 40 3.881 19.052 -3.603 1.00 64.42 C ATOM 637 C ALA A 40 2.924 17.865 -3.605 1.00 21.44 C ATOM 638 O ALA A 40 3.104 16.911 -2.848 1.00 71.44 O ATOM 639 CB ALA A 40 3.407 20.114 -2.622 1.00 61.52 C ATOM 0 H ALA A 40 3.854 20.626 -4.987 1.00 2.23 H new ATOM 0 HA ALA A 40 4.861 18.695 -3.287 1.00 64.42 H new ATOM 0 HB1 ALA A 40 3.312 19.675 -1.629 1.00 61.52 H new ATOM 0 HB2 ALA A 40 4.130 20.929 -2.591 1.00 61.52 H new ATOM 0 HB3 ALA A 40 2.439 20.499 -2.942 1.00 61.52 H new ATOM 645 N GLN A 41 1.907 17.932 -4.458 1.00 22.52 N ATOM 646 CA GLN A 41 0.921 16.862 -4.555 1.00 71.04 C ATOM 647 C GLN A 41 1.571 15.563 -5.019 1.00 22.54 C ATOM 648 O GLN A 41 1.157 14.474 -4.623 1.00 74.23 O ATOM 649 CB GLN A 41 -0.198 17.258 -5.520 1.00 13.11 C ATOM 650 CG GLN A 41 -1.540 17.477 -4.839 1.00 25.25 C ATOM 651 CD GLN A 41 -1.942 16.312 -3.955 1.00 51.42 C ATOM 652 OE1 GLN A 41 -1.416 15.207 -4.087 1.00 4.20 O ATOM 653 NE2 GLN A 41 -2.880 16.555 -3.047 1.00 74.53 N ATOM 0 H GLN A 41 1.744 18.715 -5.091 1.00 22.52 H new ATOM 0 HA GLN A 41 0.498 16.701 -3.564 1.00 71.04 H new ATOM 0 HB2 GLN A 41 0.089 18.171 -6.041 1.00 13.11 H new ATOM 0 HB3 GLN A 41 -0.306 16.481 -6.276 1.00 13.11 H new ATOM 0 HG2 GLN A 41 -1.495 18.385 -4.238 1.00 25.25 H new ATOM 0 HG3 GLN A 41 -2.307 17.634 -5.597 1.00 25.25 H new ATOM 0 HE21 GLN A 41 -3.289 17.487 -2.973 1.00 74.53 H new ATOM 0 HE22 GLN A 41 -3.192 15.810 -2.424 1.00 74.53 H new ATOM 662 N GLY A 42 2.593 15.685 -5.860 1.00 65.01 N ATOM 663 CA GLY A 42 3.284 14.512 -6.364 1.00 2.33 C ATOM 664 C GLY A 42 3.688 14.657 -7.818 1.00 32.04 C ATOM 665 O GLY A 42 3.785 15.770 -8.336 1.00 30.03 O ATOM 0 H GLY A 42 2.955 16.575 -6.202 1.00 65.01 H new ATOM 0 HA2 GLY A 42 4.173 14.330 -5.760 1.00 2.33 H new ATOM 0 HA3 GLY A 42 2.640 13.640 -6.254 1.00 2.33 H new ATOM 669 N THR A 43 3.926 13.529 -8.479 1.00 72.34 N ATOM 670 CA THR A 43 4.324 13.534 -9.881 1.00 42.33 C ATOM 671 C THR A 43 3.220 12.971 -10.769 1.00 1.32 C ATOM 672 O THR A 43 2.867 11.796 -10.668 1.00 3.11 O ATOM 673 CB THR A 43 5.612 12.718 -10.103 1.00 14.12 C ATOM 674 OG1 THR A 43 6.453 12.808 -8.948 1.00 23.22 O ATOM 675 CG2 THR A 43 6.365 13.218 -11.326 1.00 24.20 C ATOM 0 H THR A 43 3.850 12.600 -8.066 1.00 72.34 H new ATOM 0 HA THR A 43 4.510 14.573 -10.152 1.00 42.33 H new ATOM 0 HB THR A 43 5.333 11.677 -10.269 1.00 14.12 H new ATOM 0 HG1 THR A 43 7.269 12.286 -9.096 1.00 23.22 H new ATOM 0 HG21 THR A 43 7.271 12.627 -11.463 1.00 24.20 H new ATOM 0 HG22 THR A 43 5.732 13.121 -12.208 1.00 24.20 H new ATOM 0 HG23 THR A 43 6.633 14.265 -11.185 1.00 24.20 H new ATOM 683 N PHE A 44 2.678 13.817 -11.639 1.00 31.20 N ATOM 684 CA PHE A 44 1.613 13.403 -12.545 1.00 12.00 C ATOM 685 C PHE A 44 2.058 13.526 -13.999 1.00 74.14 C ATOM 686 O PHE A 44 2.909 14.350 -14.332 1.00 13.22 O ATOM 687 CB PHE A 44 0.358 14.247 -12.310 1.00 43.14 C ATOM 688 CG PHE A 44 -0.024 14.363 -10.863 1.00 35.43 C ATOM 689 CD1 PHE A 44 0.486 15.383 -10.077 1.00 11.13 C ATOM 690 CD2 PHE A 44 -0.894 13.450 -10.287 1.00 53.15 C ATOM 691 CE1 PHE A 44 0.135 15.493 -8.744 1.00 64.42 C ATOM 692 CE2 PHE A 44 -1.249 13.555 -8.956 1.00 24.33 C ATOM 693 CZ PHE A 44 -0.732 14.576 -8.183 1.00 13.42 C ATOM 0 H PHE A 44 2.959 14.793 -11.736 1.00 31.20 H new ATOM 0 HA PHE A 44 1.382 12.357 -12.341 1.00 12.00 H new ATOM 0 HB2 PHE A 44 0.520 15.246 -12.716 1.00 43.14 H new ATOM 0 HB3 PHE A 44 -0.473 13.809 -12.863 1.00 43.14 H new ATOM 0 HD1 PHE A 44 1.166 16.101 -10.510 1.00 11.13 H new ATOM 0 HD2 PHE A 44 -1.299 12.647 -10.886 1.00 53.15 H new ATOM 0 HE1 PHE A 44 0.538 16.295 -8.143 1.00 64.42 H new ATOM 0 HE2 PHE A 44 -1.930 12.839 -8.520 1.00 24.33 H new ATOM 0 HZ PHE A 44 -1.005 14.657 -7.141 1.00 13.42 H new ATOM 703 N ALA A 45 1.475 12.699 -14.862 1.00 3.12 N ATOM 704 CA ALA A 45 1.810 12.715 -16.280 1.00 53.44 C ATOM 705 C ALA A 45 0.585 13.039 -17.129 1.00 61.04 C ATOM 706 O ALA A 45 -0.489 12.469 -16.932 1.00 24.53 O ATOM 707 CB ALA A 45 2.405 11.379 -16.698 1.00 24.14 C ATOM 0 H ALA A 45 0.769 12.010 -14.603 1.00 3.12 H new ATOM 0 HA ALA A 45 2.552 13.497 -16.444 1.00 53.44 H new ATOM 0 HB1 ALA A 45 2.650 11.406 -17.760 1.00 24.14 H new ATOM 0 HB2 ALA A 45 3.310 11.187 -16.121 1.00 24.14 H new ATOM 0 HB3 ALA A 45 1.682 10.585 -16.513 1.00 24.14 H new ATOM 713 N LEU A 46 0.752 13.958 -18.074 1.00 62.43 N ATOM 714 CA LEU A 46 -0.341 14.358 -18.954 1.00 4.01 C ATOM 715 C LEU A 46 -0.269 13.616 -20.284 1.00 64.44 C ATOM 716 O LEU A 46 0.729 13.699 -21.001 1.00 23.44 O ATOM 717 CB LEU A 46 -0.299 15.868 -19.196 1.00 72.25 C ATOM 718 CG LEU A 46 0.007 16.736 -17.975 1.00 71.43 C ATOM 719 CD1 LEU A 46 -0.050 18.211 -18.341 1.00 22.31 C ATOM 720 CD2 LEU A 46 -0.964 16.427 -16.845 1.00 22.13 C ATOM 0 H LEU A 46 1.633 14.440 -18.251 1.00 62.43 H new ATOM 0 HA LEU A 46 -1.281 14.100 -18.466 1.00 4.01 H new ATOM 0 HB2 LEU A 46 0.452 16.073 -19.959 1.00 72.25 H new ATOM 0 HB3 LEU A 46 -1.261 16.177 -19.604 1.00 72.25 H new ATOM 0 HG LEU A 46 1.016 16.507 -17.633 1.00 71.43 H new ATOM 0 HD11 LEU A 46 0.170 18.813 -17.460 1.00 22.31 H new ATOM 0 HD12 LEU A 46 0.685 18.422 -19.118 1.00 22.31 H new ATOM 0 HD13 LEU A 46 -1.046 18.456 -18.708 1.00 22.31 H new ATOM 0 HD21 LEU A 46 -0.732 17.054 -15.984 1.00 22.13 H new ATOM 0 HD22 LEU A 46 -1.983 16.628 -17.176 1.00 22.13 H new ATOM 0 HD23 LEU A 46 -0.874 15.378 -16.565 1.00 22.13 H new ATOM 732 N VAL A 47 -1.334 12.891 -20.610 1.00 54.25 N ATOM 733 CA VAL A 47 -1.394 12.137 -21.857 1.00 22.44 C ATOM 734 C VAL A 47 -2.603 12.546 -22.690 1.00 42.41 C ATOM 735 O VAL A 47 -3.575 13.092 -22.168 1.00 33.32 O ATOM 736 CB VAL A 47 -1.456 10.621 -21.592 1.00 74.53 C ATOM 737 CG1 VAL A 47 -2.844 10.218 -21.116 1.00 41.12 C ATOM 738 CG2 VAL A 47 -1.067 9.846 -22.842 1.00 71.32 C ATOM 0 H VAL A 47 -2.168 12.810 -20.028 1.00 54.25 H new ATOM 0 HA VAL A 47 -0.483 12.366 -22.410 1.00 22.44 H new ATOM 0 HB VAL A 47 -0.743 10.378 -20.804 1.00 74.53 H new ATOM 0 HG11 VAL A 47 -2.869 9.144 -20.934 1.00 41.12 H new ATOM 0 HG12 VAL A 47 -3.080 10.748 -20.193 1.00 41.12 H new ATOM 0 HG13 VAL A 47 -3.579 10.473 -21.879 1.00 41.12 H new ATOM 0 HG21 VAL A 47 -1.116 8.777 -22.637 1.00 71.32 H new ATOM 0 HG22 VAL A 47 -1.754 10.092 -23.651 1.00 71.32 H new ATOM 0 HG23 VAL A 47 -0.051 10.113 -23.134 1.00 71.32 H new ATOM 748 N LYS A 48 -2.536 12.280 -23.990 1.00 60.11 N ATOM 749 CA LYS A 48 -3.625 12.619 -24.898 1.00 74.31 C ATOM 750 C LYS A 48 -4.183 11.368 -25.570 1.00 20.35 C ATOM 751 O LYS A 48 -3.434 10.468 -25.947 1.00 42.04 O ATOM 752 CB LYS A 48 -3.142 13.608 -25.961 1.00 11.34 C ATOM 753 CG LYS A 48 -4.222 14.015 -26.949 1.00 4.45 C ATOM 754 CD LYS A 48 -3.624 14.511 -28.255 1.00 1.14 C ATOM 755 CE LYS A 48 -4.526 15.535 -28.927 1.00 44.00 C ATOM 756 NZ LYS A 48 -3.824 16.255 -30.026 1.00 12.34 N ATOM 0 H LYS A 48 -1.738 11.830 -24.439 1.00 60.11 H new ATOM 0 HA LYS A 48 -4.420 13.082 -24.314 1.00 74.31 H new ATOM 0 HB2 LYS A 48 -2.758 14.501 -25.467 1.00 11.34 H new ATOM 0 HB3 LYS A 48 -2.310 13.164 -26.508 1.00 11.34 H new ATOM 0 HG2 LYS A 48 -4.875 13.165 -27.146 1.00 4.45 H new ATOM 0 HG3 LYS A 48 -4.841 14.798 -26.511 1.00 4.45 H new ATOM 0 HD2 LYS A 48 -2.647 14.955 -28.064 1.00 1.14 H new ATOM 0 HD3 LYS A 48 -3.465 13.668 -28.927 1.00 1.14 H new ATOM 0 HE2 LYS A 48 -5.409 15.035 -29.326 1.00 44.00 H new ATOM 0 HE3 LYS A 48 -4.874 16.254 -28.186 1.00 44.00 H new ATOM 0 HZ1 LYS A 48 -4.472 16.944 -30.459 1.00 12.34 H new ATOM 0 HZ2 LYS A 48 -2.996 16.753 -29.641 1.00 12.34 H new ATOM 0 HZ3 LYS A 48 -3.514 15.572 -30.746 1.00 12.34 H new ATOM 770 N GLY A 49 -5.504 11.319 -25.716 1.00 63.30 N ATOM 771 CA GLY A 49 -6.138 10.174 -26.343 1.00 54.34 C ATOM 772 C GLY A 49 -7.603 10.419 -26.648 1.00 70.51 C ATOM 773 O GLY A 49 -8.020 11.558 -26.853 1.00 45.14 O ATOM 0 H GLY A 49 -6.146 12.051 -25.412 1.00 63.30 H new ATOM 0 HA2 GLY A 49 -5.613 9.932 -27.267 1.00 54.34 H new ATOM 0 HA3 GLY A 49 -6.046 9.308 -25.688 1.00 54.34 H new ATOM 777 N ALA A 50 -8.386 9.345 -26.679 1.00 53.33 N ATOM 778 CA ALA A 50 -9.813 9.449 -26.961 1.00 63.50 C ATOM 779 C ALA A 50 -10.468 10.515 -26.091 1.00 14.33 C ATOM 780 O ALA A 50 -11.308 11.283 -26.559 1.00 44.14 O ATOM 781 CB ALA A 50 -10.491 8.103 -26.751 1.00 21.23 C ATOM 0 H ALA A 50 -8.057 8.394 -26.513 1.00 53.33 H new ATOM 0 HA ALA A 50 -9.932 9.745 -28.003 1.00 63.50 H new ATOM 0 HB1 ALA A 50 -11.556 8.195 -26.965 1.00 21.23 H new ATOM 0 HB2 ALA A 50 -10.049 7.365 -27.420 1.00 21.23 H new ATOM 0 HB3 ALA A 50 -10.355 7.784 -25.718 1.00 21.23 H new ATOM 787 N GLY A 51 -10.080 10.557 -24.820 1.00 21.23 N ATOM 788 CA GLY A 51 -10.641 11.533 -23.904 1.00 71.20 C ATOM 789 C GLY A 51 -9.878 12.843 -23.914 1.00 32.43 C ATOM 790 O GLY A 51 -9.757 13.506 -22.885 1.00 11.22 O ATOM 0 H GLY A 51 -9.387 9.932 -24.408 1.00 21.23 H new ATOM 0 HA2 GLY A 51 -11.681 11.720 -24.170 1.00 71.20 H new ATOM 0 HA3 GLY A 51 -10.639 11.122 -22.894 1.00 71.20 H new ATOM 794 N GLY A 52 -9.360 13.216 -25.080 1.00 71.41 N ATOM 795 CA GLY A 52 -8.610 14.452 -25.197 1.00 4.20 C ATOM 796 C GLY A 52 -7.319 14.425 -24.402 1.00 73.31 C ATOM 797 O GLY A 52 -6.270 14.044 -24.921 1.00 43.41 O ATOM 0 H GLY A 52 -9.447 12.684 -25.946 1.00 71.41 H new ATOM 0 HA2 GLY A 52 -8.383 14.637 -26.247 1.00 4.20 H new ATOM 0 HA3 GLY A 52 -9.227 15.282 -24.853 1.00 4.20 H new ATOM 801 N VAL A 53 -7.396 14.830 -23.139 1.00 4.55 N ATOM 802 CA VAL A 53 -6.225 14.851 -22.270 1.00 45.42 C ATOM 803 C VAL A 53 -6.534 14.226 -20.915 1.00 11.12 C ATOM 804 O VAL A 53 -7.422 14.685 -20.195 1.00 40.13 O ATOM 805 CB VAL A 53 -5.711 16.287 -22.055 1.00 43.54 C ATOM 806 CG1 VAL A 53 -4.821 16.715 -23.213 1.00 1.14 C ATOM 807 CG2 VAL A 53 -6.876 17.250 -21.885 1.00 33.15 C ATOM 0 H VAL A 53 -8.257 15.148 -22.694 1.00 4.55 H new ATOM 0 HA VAL A 53 -5.452 14.267 -22.768 1.00 45.42 H new ATOM 0 HB VAL A 53 -5.115 16.308 -21.142 1.00 43.54 H new ATOM 0 HG11 VAL A 53 -4.467 17.732 -23.044 1.00 1.14 H new ATOM 0 HG12 VAL A 53 -3.967 16.041 -23.284 1.00 1.14 H new ATOM 0 HG13 VAL A 53 -5.390 16.679 -24.142 1.00 1.14 H new ATOM 0 HG21 VAL A 53 -6.494 18.260 -21.734 1.00 33.15 H new ATOM 0 HG22 VAL A 53 -7.500 17.228 -22.778 1.00 33.15 H new ATOM 0 HG23 VAL A 53 -7.470 16.954 -21.020 1.00 33.15 H new ATOM 817 N HIS A 54 -5.796 13.175 -20.571 1.00 43.54 N ATOM 818 CA HIS A 54 -5.990 12.487 -19.300 1.00 75.34 C ATOM 819 C HIS A 54 -4.735 12.573 -18.438 1.00 10.02 C ATOM 820 O HIS A 54 -3.616 12.478 -18.942 1.00 60.11 O ATOM 821 CB HIS A 54 -6.358 11.022 -19.541 1.00 14.30 C ATOM 822 CG HIS A 54 -6.663 10.709 -20.973 1.00 72.25 C ATOM 823 ND1 HIS A 54 -5.941 9.797 -21.714 1.00 53.14 N ATOM 824 CD2 HIS A 54 -7.620 11.191 -21.801 1.00 21.40 C ATOM 825 CE1 HIS A 54 -6.440 9.733 -22.936 1.00 64.12 C ATOM 826 NE2 HIS A 54 -7.459 10.569 -23.015 1.00 34.53 N ATOM 0 H HIS A 54 -5.058 12.781 -21.155 1.00 43.54 H new ATOM 0 HA HIS A 54 -6.807 12.977 -18.770 1.00 75.34 H new ATOM 0 HB2 HIS A 54 -5.536 10.390 -19.207 1.00 14.30 H new ATOM 0 HB3 HIS A 54 -7.224 10.768 -18.930 1.00 14.30 H new ATOM 0 HD1 HIS A 54 -5.146 9.257 -21.372 1.00 53.14 H new ATOM 0 HD2 HIS A 54 -8.370 11.927 -21.553 1.00 21.40 H new ATOM 0 HE1 HIS A 54 -6.076 9.104 -23.735 1.00 64.12 H new ATOM 834 N ARG A 55 -4.929 12.754 -17.136 1.00 10.44 N ATOM 835 CA ARG A 55 -3.812 12.856 -16.204 1.00 35.44 C ATOM 836 C ARG A 55 -3.698 11.594 -15.354 1.00 23.44 C ATOM 837 O ARG A 55 -4.667 11.164 -14.728 1.00 23.35 O ATOM 838 CB ARG A 55 -3.984 14.078 -15.300 1.00 42.10 C ATOM 839 CG ARG A 55 -5.181 13.984 -14.368 1.00 60.33 C ATOM 840 CD ARG A 55 -5.482 15.321 -13.711 1.00 1.52 C ATOM 841 NE ARG A 55 -6.805 15.823 -14.071 1.00 53.24 N ATOM 842 CZ ARG A 55 -7.461 16.739 -13.367 1.00 70.11 C ATOM 843 NH1 ARG A 55 -6.919 17.251 -12.271 1.00 23.42 N ATOM 844 NH2 ARG A 55 -8.662 17.145 -13.760 1.00 22.05 N ATOM 0 H ARG A 55 -5.849 12.833 -16.702 1.00 10.44 H new ATOM 0 HA ARG A 55 -2.896 12.968 -16.784 1.00 35.44 H new ATOM 0 HB2 ARG A 55 -3.080 14.209 -14.705 1.00 42.10 H new ATOM 0 HB3 ARG A 55 -4.088 14.967 -15.922 1.00 42.10 H new ATOM 0 HG2 ARG A 55 -6.054 13.648 -14.928 1.00 60.33 H new ATOM 0 HG3 ARG A 55 -4.987 13.235 -13.600 1.00 60.33 H new ATOM 0 HD2 ARG A 55 -5.417 15.215 -12.628 1.00 1.52 H new ATOM 0 HD3 ARG A 55 -4.726 16.048 -14.006 1.00 1.52 H new ATOM 0 HE ARG A 55 -7.250 15.450 -14.909 1.00 53.24 H new ATOM 0 HH11 ARG A 55 -5.996 16.942 -11.966 1.00 23.42 H new ATOM 0 HH12 ARG A 55 -7.425 17.954 -11.732 1.00 23.42 H new ATOM 0 HH21 ARG A 55 -9.082 16.754 -14.603 1.00 22.05 H new ATOM 0 HH22 ARG A 55 -9.165 17.848 -13.219 1.00 22.05 H new ATOM 858 N VAL A 56 -2.507 11.004 -15.337 1.00 25.31 N ATOM 859 CA VAL A 56 -2.264 9.792 -14.564 1.00 35.52 C ATOM 860 C VAL A 56 -0.907 9.842 -13.873 1.00 4.53 C ATOM 861 O VAL A 56 0.056 10.387 -14.413 1.00 2.31 O ATOM 862 CB VAL A 56 -2.328 8.536 -15.454 1.00 14.12 C ATOM 863 CG1 VAL A 56 -3.768 8.220 -15.829 1.00 33.25 C ATOM 864 CG2 VAL A 56 -1.473 8.722 -16.698 1.00 75.33 C ATOM 0 H VAL A 56 -1.695 11.346 -15.850 1.00 25.31 H new ATOM 0 HA VAL A 56 -3.050 9.736 -13.811 1.00 35.52 H new ATOM 0 HB VAL A 56 -1.931 7.691 -14.891 1.00 14.12 H new ATOM 0 HG11 VAL A 56 -3.793 7.330 -16.458 1.00 33.25 H new ATOM 0 HG12 VAL A 56 -4.349 8.042 -14.924 1.00 33.25 H new ATOM 0 HG13 VAL A 56 -4.195 9.062 -16.374 1.00 33.25 H new ATOM 0 HG21 VAL A 56 -1.529 7.826 -17.316 1.00 75.33 H new ATOM 0 HG22 VAL A 56 -1.838 9.578 -17.266 1.00 75.33 H new ATOM 0 HG23 VAL A 56 -0.438 8.896 -16.405 1.00 75.33 H new ATOM 874 N ARG A 57 -0.837 9.271 -12.675 1.00 24.20 N ATOM 875 CA ARG A 57 0.404 9.251 -11.909 1.00 13.51 C ATOM 876 C ARG A 57 0.888 7.820 -11.694 1.00 15.45 C ATOM 877 O ARG A 57 0.238 6.864 -12.116 1.00 33.00 O ATOM 878 CB ARG A 57 0.205 9.943 -10.559 1.00 31.43 C ATOM 879 CG ARG A 57 -0.809 9.250 -9.663 1.00 73.14 C ATOM 880 CD ARG A 57 -0.997 9.997 -8.352 1.00 51.13 C ATOM 881 NE ARG A 57 -1.316 9.095 -7.249 1.00 22.11 N ATOM 882 CZ ARG A 57 -1.786 9.505 -6.076 1.00 53.35 C ATOM 883 NH1 ARG A 57 -1.992 10.796 -5.856 1.00 50.52 N ATOM 884 NH2 ARG A 57 -2.052 8.623 -5.121 1.00 55.45 N ATOM 0 H ARG A 57 -1.625 8.816 -12.214 1.00 24.20 H new ATOM 0 HA ARG A 57 1.162 9.790 -12.478 1.00 13.51 H new ATOM 0 HB2 ARG A 57 1.162 9.991 -10.040 1.00 31.43 H new ATOM 0 HB3 ARG A 57 -0.117 10.970 -10.731 1.00 31.43 H new ATOM 0 HG2 ARG A 57 -1.765 9.177 -10.182 1.00 73.14 H new ATOM 0 HG3 ARG A 57 -0.479 8.231 -9.458 1.00 73.14 H new ATOM 0 HD2 ARG A 57 -0.088 10.550 -8.116 1.00 51.13 H new ATOM 0 HD3 ARG A 57 -1.796 10.730 -8.464 1.00 51.13 H new ATOM 0 HE ARG A 57 -1.170 8.095 -7.387 1.00 22.11 H new ATOM 0 HH11 ARG A 57 -1.790 11.477 -6.588 1.00 50.52 H new ATOM 0 HH12 ARG A 57 -2.353 11.109 -4.955 1.00 50.52 H new ATOM 0 HH21 ARG A 57 -1.896 7.629 -5.287 1.00 55.45 H new ATOM 0 HH22 ARG A 57 -2.413 8.939 -4.221 1.00 55.45 H new ATOM 898 N VAL A 58 2.033 7.681 -11.034 1.00 2.42 N ATOM 899 CA VAL A 58 2.604 6.368 -10.762 1.00 21.24 C ATOM 900 C VAL A 58 1.569 5.437 -10.139 1.00 44.13 C ATOM 901 O VAL A 58 1.060 5.698 -9.050 1.00 74.05 O ATOM 902 CB VAL A 58 3.820 6.468 -9.821 1.00 51.13 C ATOM 903 CG1 VAL A 58 4.449 5.099 -9.614 1.00 30.23 C ATOM 904 CG2 VAL A 58 4.839 7.454 -10.372 1.00 11.21 C ATOM 0 H VAL A 58 2.584 8.462 -10.678 1.00 2.42 H new ATOM 0 HA VAL A 58 2.927 5.959 -11.719 1.00 21.24 H new ATOM 0 HB VAL A 58 3.479 6.835 -8.853 1.00 51.13 H new ATOM 0 HG11 VAL A 58 5.306 5.190 -8.947 1.00 30.23 H new ATOM 0 HG12 VAL A 58 3.715 4.424 -9.173 1.00 30.23 H new ATOM 0 HG13 VAL A 58 4.777 4.700 -10.574 1.00 30.23 H new ATOM 0 HG21 VAL A 58 5.691 7.513 -9.695 1.00 11.21 H new ATOM 0 HG22 VAL A 58 5.177 7.118 -11.353 1.00 11.21 H new ATOM 0 HG23 VAL A 58 4.380 8.438 -10.464 1.00 11.21 H new ATOM 914 N GLY A 59 1.264 4.348 -10.839 1.00 13.42 N ATOM 915 CA GLY A 59 0.291 3.394 -10.339 1.00 2.30 C ATOM 916 C GLY A 59 -0.971 3.360 -11.177 1.00 52.13 C ATOM 917 O GLY A 59 -1.613 2.317 -11.303 1.00 62.12 O ATOM 0 H GLY A 59 1.673 4.110 -11.743 1.00 13.42 H new ATOM 0 HA2 GLY A 59 0.738 2.400 -10.320 1.00 2.30 H new ATOM 0 HA3 GLY A 59 0.034 3.647 -9.311 1.00 2.30 H new ATOM 921 N ASP A 60 -1.330 4.503 -11.751 1.00 3.53 N ATOM 922 CA ASP A 60 -2.525 4.601 -12.581 1.00 64.21 C ATOM 923 C ASP A 60 -2.422 3.678 -13.792 1.00 4.33 C ATOM 924 O ASP A 60 -1.336 3.211 -14.138 1.00 54.24 O ATOM 925 CB ASP A 60 -2.736 6.044 -13.041 1.00 11.24 C ATOM 926 CG ASP A 60 -3.333 6.916 -11.954 1.00 11.23 C ATOM 927 OD1 ASP A 60 -3.423 6.448 -10.799 1.00 62.02 O ATOM 928 OD2 ASP A 60 -3.710 8.067 -12.257 1.00 41.22 O ATOM 0 H ASP A 60 -0.810 5.375 -11.657 1.00 3.53 H new ATOM 0 HA ASP A 60 -3.381 4.291 -11.981 1.00 64.21 H new ATOM 0 HB2 ASP A 60 -1.782 6.465 -13.357 1.00 11.24 H new ATOM 0 HB3 ASP A 60 -3.392 6.053 -13.911 1.00 11.24 H new ATOM 933 N TYR A 61 -3.557 3.419 -14.430 1.00 14.51 N ATOM 934 CA TYR A 61 -3.596 2.550 -15.600 1.00 23.13 C ATOM 935 C TYR A 61 -4.292 3.240 -16.769 1.00 35.43 C ATOM 936 O TYR A 61 -5.205 4.044 -16.576 1.00 0.30 O ATOM 937 CB TYR A 61 -4.312 1.241 -15.265 1.00 34.21 C ATOM 938 CG TYR A 61 -3.741 0.529 -14.059 1.00 72.14 C ATOM 939 CD1 TYR A 61 -4.197 0.815 -12.778 1.00 60.55 C ATOM 940 CD2 TYR A 61 -2.746 -0.430 -14.202 1.00 30.41 C ATOM 941 CE1 TYR A 61 -3.677 0.167 -11.674 1.00 52.14 C ATOM 942 CE2 TYR A 61 -2.222 -1.084 -13.104 1.00 25.04 C ATOM 943 CZ TYR A 61 -2.690 -0.781 -11.842 1.00 60.41 C ATOM 944 OH TYR A 61 -2.171 -1.430 -10.745 1.00 3.31 O ATOM 0 H TYR A 61 -4.463 3.799 -14.157 1.00 14.51 H new ATOM 0 HA TYR A 61 -2.569 2.330 -15.892 1.00 23.13 H new ATOM 0 HB2 TYR A 61 -5.367 1.449 -15.088 1.00 34.21 H new ATOM 0 HB3 TYR A 61 -4.259 0.577 -16.127 1.00 34.21 H new ATOM 0 HD1 TYR A 61 -4.971 1.556 -12.643 1.00 60.55 H new ATOM 0 HD2 TYR A 61 -2.376 -0.668 -15.188 1.00 30.41 H new ATOM 0 HE1 TYR A 61 -4.042 0.402 -10.685 1.00 52.14 H new ATOM 0 HE2 TYR A 61 -1.450 -1.828 -13.233 1.00 25.04 H new ATOM 0 HH TYR A 61 -1.486 -2.068 -11.036 1.00 3.31 H new ATOM 954 N LEU A 62 -3.856 2.918 -17.982 1.00 13.34 N ATOM 955 CA LEU A 62 -4.437 3.505 -19.184 1.00 54.40 C ATOM 956 C LEU A 62 -4.212 2.604 -20.394 1.00 32.14 C ATOM 957 O LEU A 62 -3.208 1.897 -20.476 1.00 14.32 O ATOM 958 CB LEU A 62 -3.834 4.887 -19.444 1.00 21.23 C ATOM 959 CG LEU A 62 -2.331 5.020 -19.196 1.00 10.24 C ATOM 960 CD1 LEU A 62 -1.725 6.052 -20.134 1.00 65.21 C ATOM 961 CD2 LEU A 62 -2.061 5.392 -17.745 1.00 1.10 C ATOM 0 H LEU A 62 -3.102 2.254 -18.159 1.00 13.34 H new ATOM 0 HA LEU A 62 -5.510 3.608 -19.025 1.00 54.40 H new ATOM 0 HB2 LEU A 62 -4.037 5.161 -20.479 1.00 21.23 H new ATOM 0 HB3 LEU A 62 -4.351 5.611 -18.815 1.00 21.23 H new ATOM 0 HG LEU A 62 -1.862 4.057 -19.397 1.00 10.24 H new ATOM 0 HD11 LEU A 62 -0.655 6.133 -19.943 1.00 65.21 H new ATOM 0 HD12 LEU A 62 -1.887 5.744 -21.167 1.00 65.21 H new ATOM 0 HD13 LEU A 62 -2.198 7.019 -19.965 1.00 65.21 H new ATOM 0 HD21 LEU A 62 -0.986 5.482 -17.586 1.00 1.10 H new ATOM 0 HD22 LEU A 62 -2.543 6.343 -17.518 1.00 1.10 H new ATOM 0 HD23 LEU A 62 -2.460 4.617 -17.090 1.00 1.10 H new ATOM 973 N GLY A 63 -5.153 2.636 -21.332 1.00 72.55 N ATOM 974 CA GLY A 63 -5.038 1.819 -22.526 1.00 63.34 C ATOM 975 C GLY A 63 -5.621 0.432 -22.339 1.00 54.30 C ATOM 976 O GLY A 63 -5.902 0.016 -21.215 1.00 11.52 O ATOM 0 H GLY A 63 -5.993 3.213 -21.287 1.00 72.55 H new ATOM 0 HA2 GLY A 63 -5.547 2.315 -23.352 1.00 63.34 H new ATOM 0 HA3 GLY A 63 -3.988 1.734 -22.804 1.00 63.34 H new ATOM 980 N ARG A 64 -5.806 -0.284 -23.443 1.00 33.31 N ATOM 981 CA ARG A 64 -6.363 -1.631 -23.395 1.00 54.23 C ATOM 982 C ARG A 64 -5.314 -2.637 -22.932 1.00 32.12 C ATOM 983 O ARG A 64 -5.641 -3.766 -22.567 1.00 41.40 O ATOM 984 CB ARG A 64 -6.899 -2.033 -24.771 1.00 21.03 C ATOM 985 CG ARG A 64 -8.397 -1.827 -24.925 1.00 42.01 C ATOM 986 CD ARG A 64 -8.924 -2.493 -26.186 1.00 63.25 C ATOM 987 NE ARG A 64 -10.369 -2.694 -26.137 1.00 14.44 N ATOM 988 CZ ARG A 64 -10.958 -3.616 -25.384 1.00 21.34 C ATOM 989 NH1 ARG A 64 -10.228 -4.419 -24.621 1.00 50.31 N ATOM 990 NH2 ARG A 64 -12.279 -3.737 -25.392 1.00 72.41 N ATOM 0 H ARG A 64 -5.579 0.046 -24.381 1.00 33.31 H new ATOM 0 HA ARG A 64 -7.184 -1.633 -22.678 1.00 54.23 H new ATOM 0 HB2 ARG A 64 -6.381 -1.455 -25.536 1.00 21.03 H new ATOM 0 HB3 ARG A 64 -6.665 -3.082 -24.950 1.00 21.03 H new ATOM 0 HG2 ARG A 64 -8.913 -2.233 -24.055 1.00 42.01 H new ATOM 0 HG3 ARG A 64 -8.617 -0.760 -24.956 1.00 42.01 H new ATOM 0 HD2 ARG A 64 -8.673 -1.880 -27.052 1.00 63.25 H new ATOM 0 HD3 ARG A 64 -8.429 -3.455 -26.322 1.00 63.25 H new ATOM 0 HE ARG A 64 -10.959 -2.093 -26.713 1.00 14.44 H new ATOM 0 HH11 ARG A 64 -9.212 -4.329 -24.612 1.00 50.31 H new ATOM 0 HH12 ARG A 64 -10.683 -5.126 -24.044 1.00 50.31 H new ATOM 0 HH21 ARG A 64 -12.844 -3.121 -25.977 1.00 72.41 H new ATOM 0 HH22 ARG A 64 -12.730 -4.446 -24.813 1.00 72.41 H new ATOM 1004 N ASN A 65 -4.052 -2.220 -22.950 1.00 15.40 N ATOM 1005 CA ASN A 65 -2.955 -3.085 -22.533 1.00 10.33 C ATOM 1006 C ASN A 65 -2.616 -2.862 -21.062 1.00 44.11 C ATOM 1007 O ASN A 65 -1.508 -3.165 -20.617 1.00 54.31 O ATOM 1008 CB ASN A 65 -1.719 -2.829 -23.397 1.00 51.54 C ATOM 1009 CG ASN A 65 -2.008 -2.978 -24.878 1.00 74.45 C ATOM 1010 OD1 ASN A 65 -1.792 -2.053 -25.661 1.00 73.13 O ATOM 1011 ND2 ASN A 65 -2.500 -4.148 -25.270 1.00 34.24 N ATOM 0 H ASN A 65 -3.764 -1.288 -23.249 1.00 15.40 H new ATOM 0 HA ASN A 65 -3.272 -4.120 -22.662 1.00 10.33 H new ATOM 0 HB2 ASN A 65 -1.345 -1.824 -23.202 1.00 51.54 H new ATOM 0 HB3 ASN A 65 -0.929 -3.524 -23.112 1.00 51.54 H new ATOM 0 HD21 ASN A 65 -2.714 -4.307 -26.254 1.00 34.24 H new ATOM 0 HD22 ASN A 65 -2.663 -4.887 -24.587 1.00 34.24 H new ATOM 1018 N ASP A 66 -3.576 -2.332 -20.313 1.00 1.41 N ATOM 1019 CA ASP A 66 -3.380 -2.070 -18.892 1.00 12.43 C ATOM 1020 C ASP A 66 -2.092 -1.288 -18.656 1.00 4.13 C ATOM 1021 O ASP A 66 -1.300 -1.627 -17.777 1.00 61.13 O ATOM 1022 CB ASP A 66 -3.345 -3.383 -18.109 1.00 71.32 C ATOM 1023 CG ASP A 66 -4.022 -3.270 -16.757 1.00 62.24 C ATOM 1024 OD1 ASP A 66 -5.268 -3.207 -16.722 1.00 13.02 O ATOM 1025 OD2 ASP A 66 -3.305 -3.244 -15.735 1.00 21.01 O ATOM 0 H ASP A 66 -4.498 -2.075 -20.666 1.00 1.41 H new ATOM 0 HA ASP A 66 -4.218 -1.469 -18.540 1.00 12.43 H new ATOM 0 HB2 ASP A 66 -3.833 -4.163 -18.692 1.00 71.32 H new ATOM 0 HB3 ASP A 66 -2.309 -3.691 -17.969 1.00 71.32 H new ATOM 1030 N GLY A 67 -1.888 -0.239 -19.448 1.00 23.53 N ATOM 1031 CA GLY A 67 -0.693 0.573 -19.310 1.00 12.12 C ATOM 1032 C GLY A 67 -0.552 1.165 -17.922 1.00 1.44 C ATOM 1033 O GLY A 67 -1.137 2.206 -17.620 1.00 21.25 O ATOM 0 H GLY A 67 -2.529 0.063 -20.182 1.00 23.53 H new ATOM 0 HA2 GLY A 67 0.184 -0.035 -19.533 1.00 12.12 H new ATOM 0 HA3 GLY A 67 -0.718 1.378 -20.044 1.00 12.12 H new ATOM 1037 N LYS A 68 0.225 0.501 -17.073 1.00 44.21 N ATOM 1038 CA LYS A 68 0.442 0.967 -15.708 1.00 62.15 C ATOM 1039 C LYS A 68 1.657 1.886 -15.634 1.00 11.51 C ATOM 1040 O LYS A 68 2.763 1.503 -16.015 1.00 72.14 O ATOM 1041 CB LYS A 68 0.632 -0.224 -14.766 1.00 12.54 C ATOM 1042 CG LYS A 68 0.854 0.177 -13.317 1.00 43.04 C ATOM 1043 CD LYS A 68 1.492 -0.948 -12.520 1.00 5.45 C ATOM 1044 CE LYS A 68 2.943 -1.164 -12.923 1.00 50.20 C ATOM 1045 NZ LYS A 68 3.613 -2.178 -12.063 1.00 32.03 N ATOM 0 H LYS A 68 0.715 -0.362 -17.306 1.00 44.21 H new ATOM 0 HA LYS A 68 -0.438 1.531 -15.398 1.00 62.15 H new ATOM 0 HB2 LYS A 68 -0.246 -0.868 -14.826 1.00 12.54 H new ATOM 0 HB3 LYS A 68 1.484 -0.813 -15.106 1.00 12.54 H new ATOM 0 HG2 LYS A 68 1.491 1.060 -13.276 1.00 43.04 H new ATOM 0 HG3 LYS A 68 -0.099 0.450 -12.864 1.00 43.04 H new ATOM 0 HD2 LYS A 68 1.439 -0.717 -11.456 1.00 5.45 H new ATOM 0 HD3 LYS A 68 0.930 -1.869 -12.674 1.00 5.45 H new ATOM 0 HE2 LYS A 68 2.987 -1.485 -13.964 1.00 50.20 H new ATOM 0 HE3 LYS A 68 3.482 -0.219 -12.858 1.00 50.20 H new ATOM 0 HZ1 LYS A 68 4.600 -2.296 -12.370 1.00 32.03 H new ATOM 0 HZ2 LYS A 68 3.594 -1.860 -11.073 1.00 32.03 H new ATOM 0 HZ3 LYS A 68 3.114 -3.087 -12.145 1.00 32.03 H new ATOM 1059 N VAL A 69 1.444 3.102 -15.139 1.00 21.42 N ATOM 1060 CA VAL A 69 2.522 4.075 -15.012 1.00 22.13 C ATOM 1061 C VAL A 69 3.534 3.640 -13.958 1.00 23.50 C ATOM 1062 O VAL A 69 3.179 3.390 -12.806 1.00 30.10 O ATOM 1063 CB VAL A 69 1.980 5.468 -14.642 1.00 12.31 C ATOM 1064 CG1 VAL A 69 3.121 6.461 -14.483 1.00 23.11 C ATOM 1065 CG2 VAL A 69 0.987 5.948 -15.690 1.00 10.33 C ATOM 0 H VAL A 69 0.535 3.436 -14.820 1.00 21.42 H new ATOM 0 HA VAL A 69 3.014 4.130 -15.983 1.00 22.13 H new ATOM 0 HB VAL A 69 1.459 5.394 -13.687 1.00 12.31 H new ATOM 0 HG11 VAL A 69 2.718 7.439 -14.222 1.00 23.11 H new ATOM 0 HG12 VAL A 69 3.791 6.122 -13.693 1.00 23.11 H new ATOM 0 HG13 VAL A 69 3.673 6.534 -15.420 1.00 23.11 H new ATOM 0 HG21 VAL A 69 0.614 6.934 -15.413 1.00 10.33 H new ATOM 0 HG22 VAL A 69 1.481 6.006 -16.660 1.00 10.33 H new ATOM 0 HG23 VAL A 69 0.154 5.248 -15.749 1.00 10.33 H new ATOM 1075 N VAL A 70 4.798 3.551 -14.360 1.00 62.32 N ATOM 1076 CA VAL A 70 5.863 3.147 -13.450 1.00 64.13 C ATOM 1077 C VAL A 70 6.920 4.238 -13.323 1.00 45.00 C ATOM 1078 O VAL A 70 7.577 4.364 -12.290 1.00 35.00 O ATOM 1079 CB VAL A 70 6.539 1.845 -13.920 1.00 23.10 C ATOM 1080 CG1 VAL A 70 5.497 0.773 -14.199 1.00 61.31 C ATOM 1081 CG2 VAL A 70 7.394 2.103 -15.152 1.00 13.12 C ATOM 0 H VAL A 70 5.109 3.753 -15.310 1.00 62.32 H new ATOM 0 HA VAL A 70 5.401 2.977 -12.477 1.00 64.13 H new ATOM 0 HB VAL A 70 7.190 1.486 -13.123 1.00 23.10 H new ATOM 0 HG11 VAL A 70 5.993 -0.139 -14.530 1.00 61.31 H new ATOM 0 HG12 VAL A 70 4.932 0.569 -13.289 1.00 61.31 H new ATOM 0 HG13 VAL A 70 4.818 1.120 -14.978 1.00 61.31 H new ATOM 0 HG21 VAL A 70 7.864 1.172 -15.470 1.00 13.12 H new ATOM 0 HG22 VAL A 70 6.766 2.486 -15.957 1.00 13.12 H new ATOM 0 HG23 VAL A 70 8.165 2.836 -14.913 1.00 13.12 H new ATOM 1091 N GLY A 71 7.080 5.026 -14.382 1.00 0.42 N ATOM 1092 CA GLY A 71 8.059 6.098 -14.368 1.00 72.22 C ATOM 1093 C GLY A 71 7.553 7.354 -15.049 1.00 61.15 C ATOM 1094 O GLY A 71 6.852 7.281 -16.059 1.00 32.30 O ATOM 0 H GLY A 71 6.549 4.941 -15.249 1.00 0.42 H new ATOM 0 HA2 GLY A 71 8.325 6.330 -13.337 1.00 72.22 H new ATOM 0 HA3 GLY A 71 8.969 5.761 -14.864 1.00 72.22 H new ATOM 1098 N ILE A 72 7.908 8.509 -14.496 1.00 73.33 N ATOM 1099 CA ILE A 72 7.484 9.786 -15.057 1.00 64.32 C ATOM 1100 C ILE A 72 8.657 10.755 -15.165 1.00 31.41 C ATOM 1101 O ILE A 72 9.153 11.260 -14.158 1.00 34.23 O ATOM 1102 CB ILE A 72 6.374 10.433 -14.208 1.00 43.14 C ATOM 1103 CG1 ILE A 72 5.146 9.522 -14.155 1.00 51.45 C ATOM 1104 CG2 ILE A 72 6.005 11.798 -14.771 1.00 71.51 C ATOM 1105 CD1 ILE A 72 4.139 9.927 -13.101 1.00 61.54 C ATOM 0 H ILE A 72 8.488 8.587 -13.660 1.00 73.33 H new ATOM 0 HA ILE A 72 7.094 9.579 -16.053 1.00 64.32 H new ATOM 0 HB ILE A 72 6.746 10.569 -13.192 1.00 43.14 H new ATOM 0 HG12 ILE A 72 4.660 9.524 -15.131 1.00 51.45 H new ATOM 0 HG13 ILE A 72 5.470 8.499 -13.962 1.00 51.45 H new ATOM 0 HG21 ILE A 72 5.219 12.243 -14.161 1.00 71.51 H new ATOM 0 HG22 ILE A 72 6.882 12.445 -14.761 1.00 71.51 H new ATOM 0 HG23 ILE A 72 5.649 11.685 -15.795 1.00 71.51 H new ATOM 0 HD11 ILE A 72 3.295 9.238 -13.120 1.00 61.54 H new ATOM 0 HD12 ILE A 72 4.609 9.898 -12.118 1.00 61.54 H new ATOM 0 HD13 ILE A 72 3.786 10.938 -13.304 1.00 61.54 H new ATOM 1117 N SER A 73 9.095 11.011 -16.393 1.00 71.14 N ATOM 1118 CA SER A 73 10.211 11.918 -16.633 1.00 51.33 C ATOM 1119 C SER A 73 9.709 13.301 -17.038 1.00 3.21 C ATOM 1120 O SER A 73 8.525 13.607 -16.903 1.00 2.24 O ATOM 1121 CB SER A 73 11.127 11.357 -17.722 1.00 62.12 C ATOM 1122 OG SER A 73 12.367 12.043 -17.750 1.00 14.43 O ATOM 0 H SER A 73 8.694 10.603 -17.238 1.00 71.14 H new ATOM 0 HA SER A 73 10.776 12.012 -15.706 1.00 51.33 H new ATOM 0 HB2 SER A 73 11.299 10.295 -17.545 1.00 62.12 H new ATOM 0 HB3 SER A 73 10.638 11.443 -18.692 1.00 62.12 H new ATOM 0 HG SER A 73 12.935 11.664 -18.453 1.00 14.43 H new ATOM 1128 N GLU A 74 10.620 14.132 -17.535 1.00 42.20 N ATOM 1129 CA GLU A 74 10.271 15.483 -17.959 1.00 34.03 C ATOM 1130 C GLU A 74 9.982 15.526 -19.456 1.00 71.25 C ATOM 1131 O GLU A 74 9.385 16.478 -19.958 1.00 24.12 O ATOM 1132 CB GLU A 74 11.401 16.457 -17.618 1.00 34.31 C ATOM 1133 CG GLU A 74 12.668 16.223 -18.422 1.00 45.32 C ATOM 1134 CD GLU A 74 13.784 17.178 -18.043 1.00 51.01 C ATOM 1135 OE1 GLU A 74 13.774 18.327 -18.532 1.00 63.24 O ATOM 1136 OE2 GLU A 74 14.667 16.776 -17.256 1.00 75.44 O ATOM 0 H GLU A 74 11.605 13.894 -17.654 1.00 42.20 H new ATOM 0 HA GLU A 74 9.370 15.782 -17.424 1.00 34.03 H new ATOM 0 HB2 GLU A 74 11.055 17.476 -17.789 1.00 34.31 H new ATOM 0 HB3 GLU A 74 11.634 16.373 -16.556 1.00 34.31 H new ATOM 0 HG2 GLU A 74 13.005 15.198 -18.271 1.00 45.32 H new ATOM 0 HG3 GLU A 74 12.446 16.333 -19.483 1.00 45.32 H new ATOM 1143 N GLY A 75 10.411 14.486 -20.166 1.00 52.30 N ATOM 1144 CA GLY A 75 10.190 14.425 -21.599 1.00 63.41 C ATOM 1145 C GLY A 75 9.750 13.049 -22.059 1.00 62.03 C ATOM 1146 O GLY A 75 9.776 12.747 -23.253 1.00 13.33 O ATOM 0 H GLY A 75 10.907 13.686 -19.774 1.00 52.30 H new ATOM 0 HA2 GLY A 75 9.433 15.158 -21.878 1.00 63.41 H new ATOM 0 HA3 GLY A 75 11.108 14.702 -22.117 1.00 63.41 H new ATOM 1150 N LYS A 76 9.346 12.211 -21.111 1.00 25.42 N ATOM 1151 CA LYS A 76 8.899 10.859 -21.424 1.00 20.33 C ATOM 1152 C LYS A 76 8.261 10.201 -20.204 1.00 55.05 C ATOM 1153 O LYS A 76 8.578 10.544 -19.065 1.00 62.13 O ATOM 1154 CB LYS A 76 10.074 10.012 -21.916 1.00 64.54 C ATOM 1155 CG LYS A 76 11.248 9.981 -20.953 1.00 3.30 C ATOM 1156 CD LYS A 76 12.549 9.656 -21.668 1.00 74.45 C ATOM 1157 CE LYS A 76 13.182 10.902 -22.268 1.00 22.40 C ATOM 1158 NZ LYS A 76 12.950 10.991 -23.736 1.00 75.42 N ATOM 0 H LYS A 76 9.319 12.444 -20.118 1.00 25.42 H new ATOM 0 HA LYS A 76 8.150 10.925 -22.214 1.00 20.33 H new ATOM 0 HB2 LYS A 76 9.729 8.992 -22.088 1.00 64.54 H new ATOM 0 HB3 LYS A 76 10.413 10.400 -22.877 1.00 64.54 H new ATOM 0 HG2 LYS A 76 11.337 10.947 -20.455 1.00 3.30 H new ATOM 0 HG3 LYS A 76 11.063 9.238 -20.177 1.00 3.30 H new ATOM 0 HD2 LYS A 76 13.245 9.195 -20.967 1.00 74.45 H new ATOM 0 HD3 LYS A 76 12.360 8.927 -22.456 1.00 74.45 H new ATOM 0 HE2 LYS A 76 12.773 11.787 -21.781 1.00 22.40 H new ATOM 0 HE3 LYS A 76 14.254 10.896 -22.070 1.00 22.40 H new ATOM 0 HZ1 LYS A 76 13.691 11.578 -24.170 1.00 75.42 H new ATOM 0 HZ2 LYS A 76 12.977 10.037 -24.150 1.00 75.42 H new ATOM 0 HZ3 LYS A 76 12.020 11.420 -23.915 1.00 75.42 H new ATOM 1172 N ILE A 77 7.361 9.255 -20.451 1.00 70.24 N ATOM 1173 CA ILE A 77 6.681 8.548 -19.373 1.00 52.13 C ATOM 1174 C ILE A 77 6.806 7.038 -19.541 1.00 75.45 C ATOM 1175 O ILE A 77 6.329 6.471 -20.525 1.00 33.31 O ATOM 1176 CB ILE A 77 5.189 8.924 -19.307 1.00 12.42 C ATOM 1177 CG1 ILE A 77 5.030 10.429 -19.081 1.00 14.34 C ATOM 1178 CG2 ILE A 77 4.494 8.141 -18.203 1.00 73.13 C ATOM 1179 CD1 ILE A 77 3.716 10.981 -19.589 1.00 30.03 C ATOM 0 H ILE A 77 7.086 8.961 -21.388 1.00 70.24 H new ATOM 0 HA ILE A 77 7.165 8.849 -18.444 1.00 52.13 H new ATOM 0 HB ILE A 77 4.722 8.667 -20.258 1.00 12.42 H new ATOM 0 HG12 ILE A 77 5.115 10.639 -18.015 1.00 14.34 H new ATOM 0 HG13 ILE A 77 5.849 10.951 -19.575 1.00 14.34 H new ATOM 0 HG21 ILE A 77 3.440 8.418 -18.169 1.00 73.13 H new ATOM 0 HG22 ILE A 77 4.583 7.073 -18.403 1.00 73.13 H new ATOM 0 HG23 ILE A 77 4.961 8.370 -17.245 1.00 73.13 H new ATOM 0 HD11 ILE A 77 3.672 12.053 -19.395 1.00 30.03 H new ATOM 0 HD12 ILE A 77 3.637 10.803 -20.661 1.00 30.03 H new ATOM 0 HD13 ILE A 77 2.891 10.486 -19.077 1.00 30.03 H new ATOM 1191 N ASP A 78 7.448 6.391 -18.575 1.00 12.42 N ATOM 1192 CA ASP A 78 7.633 4.945 -18.614 1.00 10.43 C ATOM 1193 C ASP A 78 6.430 4.227 -18.010 1.00 41.12 C ATOM 1194 O ASP A 78 6.043 4.491 -16.872 1.00 11.32 O ATOM 1195 CB ASP A 78 8.907 4.553 -17.863 1.00 74.54 C ATOM 1196 CG ASP A 78 10.157 5.109 -18.515 1.00 23.30 C ATOM 1197 OD1 ASP A 78 10.222 6.338 -18.721 1.00 54.53 O ATOM 1198 OD2 ASP A 78 11.072 4.314 -18.819 1.00 53.14 O ATOM 0 H ASP A 78 7.849 6.845 -17.755 1.00 12.42 H new ATOM 0 HA ASP A 78 7.727 4.643 -19.657 1.00 10.43 H new ATOM 0 HB2 ASP A 78 8.845 4.913 -16.836 1.00 74.54 H new ATOM 0 HB3 ASP A 78 8.978 3.466 -17.816 1.00 74.54 H new ATOM 1203 N VAL A 79 5.842 3.318 -18.781 1.00 70.03 N ATOM 1204 CA VAL A 79 4.683 2.561 -18.323 1.00 51.31 C ATOM 1205 C VAL A 79 4.755 1.111 -18.788 1.00 13.12 C ATOM 1206 O VAL A 79 5.381 0.804 -19.802 1.00 44.24 O ATOM 1207 CB VAL A 79 3.369 3.186 -18.828 1.00 41.45 C ATOM 1208 CG1 VAL A 79 3.319 4.669 -18.493 1.00 44.24 C ATOM 1209 CG2 VAL A 79 3.215 2.964 -20.326 1.00 1.35 C ATOM 0 H VAL A 79 6.149 3.088 -19.726 1.00 70.03 H new ATOM 0 HA VAL A 79 4.696 2.591 -17.233 1.00 51.31 H new ATOM 0 HB VAL A 79 2.536 2.696 -18.323 1.00 41.45 H new ATOM 0 HG11 VAL A 79 2.383 5.093 -18.858 1.00 44.24 H new ATOM 0 HG12 VAL A 79 3.380 4.800 -17.413 1.00 44.24 H new ATOM 0 HG13 VAL A 79 4.158 5.178 -18.968 1.00 44.24 H new ATOM 0 HG21 VAL A 79 2.281 3.412 -20.666 1.00 1.35 H new ATOM 0 HG22 VAL A 79 4.051 3.426 -20.850 1.00 1.35 H new ATOM 0 HG23 VAL A 79 3.202 1.894 -20.536 1.00 1.35 H new ATOM 1219 N ILE A 80 4.109 0.223 -18.039 1.00 51.34 N ATOM 1220 CA ILE A 80 4.098 -1.195 -18.376 1.00 2.02 C ATOM 1221 C ILE A 80 2.857 -1.559 -19.184 1.00 44.11 C ATOM 1222 O ILE A 80 1.733 -1.451 -18.695 1.00 63.15 O ATOM 1223 CB ILE A 80 4.150 -2.074 -17.112 1.00 12.30 C ATOM 1224 CG1 ILE A 80 5.595 -2.234 -16.634 1.00 54.23 C ATOM 1225 CG2 ILE A 80 3.523 -3.433 -17.386 1.00 0.42 C ATOM 1226 CD1 ILE A 80 6.425 -3.142 -17.514 1.00 34.31 C ATOM 0 H ILE A 80 3.587 0.461 -17.196 1.00 51.34 H new ATOM 0 HA ILE A 80 4.988 -1.383 -18.977 1.00 2.02 H new ATOM 0 HB ILE A 80 3.579 -1.584 -16.323 1.00 12.30 H new ATOM 0 HG12 ILE A 80 6.066 -1.252 -16.592 1.00 54.23 H new ATOM 0 HG13 ILE A 80 5.592 -2.630 -15.618 1.00 54.23 H new ATOM 0 HG21 ILE A 80 3.567 -4.043 -16.484 1.00 0.42 H new ATOM 0 HG22 ILE A 80 2.483 -3.300 -17.684 1.00 0.42 H new ATOM 0 HG23 ILE A 80 4.069 -3.931 -18.187 1.00 0.42 H new ATOM 0 HD11 ILE A 80 7.437 -3.209 -17.115 1.00 34.31 H new ATOM 0 HD12 ILE A 80 5.977 -4.136 -17.536 1.00 34.31 H new ATOM 0 HD13 ILE A 80 6.459 -2.737 -18.525 1.00 34.31 H new ATOM 1238 N GLU A 81 3.071 -1.992 -20.423 1.00 13.12 N ATOM 1239 CA GLU A 81 1.969 -2.373 -21.298 1.00 53.04 C ATOM 1240 C GLU A 81 2.005 -3.869 -21.599 1.00 14.34 C ATOM 1241 O GLU A 81 3.061 -4.427 -21.897 1.00 73.22 O ATOM 1242 CB GLU A 81 2.027 -1.578 -22.604 1.00 44.14 C ATOM 1243 CG GLU A 81 2.056 -0.073 -22.400 1.00 1.42 C ATOM 1244 CD GLU A 81 3.417 0.530 -22.691 1.00 72.12 C ATOM 1245 OE1 GLU A 81 4.414 0.050 -22.112 1.00 71.55 O ATOM 1246 OE2 GLU A 81 3.485 1.481 -23.497 1.00 52.22 O ATOM 0 H GLU A 81 3.996 -2.087 -20.842 1.00 13.12 H new ATOM 0 HA GLU A 81 1.035 -2.146 -20.783 1.00 53.04 H new ATOM 0 HB2 GLU A 81 2.914 -1.878 -23.163 1.00 44.14 H new ATOM 0 HB3 GLU A 81 1.163 -1.837 -23.216 1.00 44.14 H new ATOM 0 HG2 GLU A 81 1.311 0.392 -23.046 1.00 1.42 H new ATOM 0 HG3 GLU A 81 1.774 0.156 -21.372 1.00 1.42 H new ATOM 1253 N ILE A 82 0.844 -4.511 -21.517 1.00 1.44 N ATOM 1254 CA ILE A 82 0.742 -5.941 -21.780 1.00 4.42 C ATOM 1255 C ILE A 82 0.522 -6.212 -23.264 1.00 70.01 C ATOM 1256 O ILE A 82 -0.331 -5.592 -23.900 1.00 21.23 O ATOM 1257 CB ILE A 82 -0.405 -6.581 -20.976 1.00 51.35 C ATOM 1258 CG1 ILE A 82 -0.056 -6.617 -19.487 1.00 40.22 C ATOM 1259 CG2 ILE A 82 -0.695 -7.982 -21.492 1.00 72.22 C ATOM 1260 CD1 ILE A 82 -0.211 -5.279 -18.798 1.00 31.44 C ATOM 0 H ILE A 82 -0.039 -4.063 -21.271 1.00 1.44 H new ATOM 0 HA ILE A 82 1.686 -6.388 -21.468 1.00 4.42 H new ATOM 0 HB ILE A 82 -1.302 -5.975 -21.104 1.00 51.35 H new ATOM 0 HG12 ILE A 82 -0.693 -7.348 -18.990 1.00 40.22 H new ATOM 0 HG13 ILE A 82 0.972 -6.959 -19.371 1.00 40.22 H new ATOM 0 HG21 ILE A 82 -1.508 -8.422 -20.914 1.00 72.22 H new ATOM 0 HG22 ILE A 82 -0.983 -7.931 -22.542 1.00 72.22 H new ATOM 0 HG23 ILE A 82 0.198 -8.599 -21.390 1.00 72.22 H new ATOM 0 HD11 ILE A 82 0.053 -5.379 -17.745 1.00 31.44 H new ATOM 0 HD12 ILE A 82 0.447 -4.549 -19.269 1.00 31.44 H new ATOM 0 HD13 ILE A 82 -1.245 -4.944 -18.882 1.00 31.44 H new ATOM 1272 N VAL A 83 1.296 -7.144 -23.811 1.00 31.30 N ATOM 1273 CA VAL A 83 1.184 -7.501 -25.220 1.00 54.13 C ATOM 1274 C VAL A 83 1.265 -9.011 -25.413 1.00 43.12 C ATOM 1275 O VAL A 83 1.826 -9.737 -24.593 1.00 25.24 O ATOM 1276 CB VAL A 83 2.286 -6.827 -26.059 1.00 55.22 C ATOM 1277 CG1 VAL A 83 1.959 -5.359 -26.290 1.00 31.23 C ATOM 1278 CG2 VAL A 83 3.639 -6.980 -25.382 1.00 61.31 C ATOM 0 H VAL A 83 2.008 -7.666 -23.299 1.00 31.30 H new ATOM 0 HA VAL A 83 0.211 -7.146 -25.560 1.00 54.13 H new ATOM 0 HB VAL A 83 2.333 -7.321 -27.030 1.00 55.22 H new ATOM 0 HG11 VAL A 83 2.749 -4.900 -26.884 1.00 31.23 H new ATOM 0 HG12 VAL A 83 1.011 -5.277 -26.821 1.00 31.23 H new ATOM 0 HG13 VAL A 83 1.883 -4.848 -25.330 1.00 31.23 H new ATOM 0 HG21 VAL A 83 4.406 -6.498 -25.988 1.00 61.31 H new ATOM 0 HG22 VAL A 83 3.608 -6.513 -24.398 1.00 61.31 H new ATOM 0 HG23 VAL A 83 3.874 -8.039 -25.274 1.00 61.31 H new ATOM 1288 N PRO A 84 0.693 -9.497 -26.524 1.00 72.25 N ATOM 1289 CA PRO A 84 0.688 -10.926 -26.852 1.00 44.15 C ATOM 1290 C PRO A 84 2.075 -11.440 -27.224 1.00 41.33 C ATOM 1291 O PRO A 84 2.868 -10.726 -27.839 1.00 12.44 O ATOM 1292 CB PRO A 84 -0.254 -11.011 -28.056 1.00 3.40 C ATOM 1293 CG PRO A 84 -0.195 -9.659 -28.679 1.00 12.53 C ATOM 1294 CD PRO A 84 0.006 -8.690 -27.547 1.00 2.44 C ATOM 0 HA PRO A 84 0.376 -11.537 -26.005 1.00 44.15 H new ATOM 0 HB2 PRO A 84 0.066 -11.783 -28.755 1.00 3.40 H new ATOM 0 HB3 PRO A 84 -1.269 -11.261 -27.748 1.00 3.40 H new ATOM 0 HG2 PRO A 84 0.623 -9.595 -29.397 1.00 12.53 H new ATOM 0 HG3 PRO A 84 -1.114 -9.439 -29.222 1.00 12.53 H new ATOM 0 HD2 PRO A 84 0.607 -7.834 -27.853 1.00 2.44 H new ATOM 0 HD3 PRO A 84 -0.943 -8.299 -27.180 1.00 2.44 H new ATOM 1302 N ASP A 85 2.361 -12.681 -26.849 1.00 21.33 N ATOM 1303 CA ASP A 85 3.652 -13.291 -27.144 1.00 63.34 C ATOM 1304 C ASP A 85 3.686 -13.828 -28.572 1.00 52.41 C ATOM 1305 O ASP A 85 4.755 -14.000 -29.156 1.00 54.14 O ATOM 1306 CB ASP A 85 3.945 -14.420 -26.155 1.00 64.52 C ATOM 1307 CG ASP A 85 5.293 -15.071 -26.401 1.00 53.53 C ATOM 1308 OD1 ASP A 85 6.258 -14.339 -26.707 1.00 10.14 O ATOM 1309 OD2 ASP A 85 5.382 -16.311 -26.288 1.00 2.33 O ATOM 0 H ASP A 85 1.716 -13.285 -26.340 1.00 21.33 H new ATOM 0 HA ASP A 85 4.419 -12.523 -27.045 1.00 63.34 H new ATOM 0 HB2 ASP A 85 3.915 -14.026 -25.139 1.00 64.52 H new ATOM 0 HB3 ASP A 85 3.162 -15.175 -26.227 1.00 64.52 H new ATOM 1314 N GLY A 86 2.507 -14.091 -29.128 1.00 51.10 N ATOM 1315 CA GLY A 86 2.424 -14.606 -30.482 1.00 72.12 C ATOM 1316 C GLY A 86 1.828 -15.999 -30.537 1.00 1.10 C ATOM 1317 O GLY A 86 1.463 -16.482 -31.608 1.00 34.21 O ATOM 0 H GLY A 86 1.608 -13.957 -28.665 1.00 51.10 H new ATOM 0 HA2 GLY A 86 1.819 -13.931 -31.088 1.00 72.12 H new ATOM 0 HA3 GLY A 86 3.421 -14.623 -30.923 1.00 72.12 H new ATOM 1321 N GLU A 87 1.732 -16.646 -29.380 1.00 11.24 N ATOM 1322 CA GLU A 87 1.179 -17.993 -29.302 1.00 13.32 C ATOM 1323 C GLU A 87 -0.157 -17.990 -28.565 1.00 35.34 C ATOM 1324 O GLU A 87 -1.061 -18.759 -28.892 1.00 4.04 O ATOM 1325 CB GLU A 87 2.161 -18.931 -28.598 1.00 35.45 C ATOM 1326 CG GLU A 87 2.808 -18.322 -27.366 1.00 1.15 C ATOM 1327 CD GLU A 87 3.843 -19.235 -26.738 1.00 70.40 C ATOM 1328 OE1 GLU A 87 5.017 -19.178 -27.160 1.00 23.44 O ATOM 1329 OE2 GLU A 87 3.479 -20.007 -25.826 1.00 62.13 O ATOM 0 H GLU A 87 2.030 -16.260 -28.484 1.00 11.24 H new ATOM 0 HA GLU A 87 1.013 -18.350 -30.318 1.00 13.32 H new ATOM 0 HB2 GLU A 87 1.637 -19.842 -28.310 1.00 35.45 H new ATOM 0 HB3 GLU A 87 2.941 -19.221 -29.302 1.00 35.45 H new ATOM 0 HG2 GLU A 87 3.279 -17.377 -27.637 1.00 1.15 H new ATOM 0 HG3 GLU A 87 2.037 -18.094 -26.631 1.00 1.15 H new ATOM 1336 N GLY A 88 -0.275 -17.120 -27.566 1.00 44.34 N ATOM 1337 CA GLY A 88 -1.502 -17.033 -26.798 1.00 34.44 C ATOM 1338 C GLY A 88 -1.285 -16.433 -25.423 1.00 25.53 C ATOM 1339 O GLY A 88 -2.220 -15.931 -24.802 1.00 53.33 O ATOM 0 H GLY A 88 0.459 -16.474 -27.275 1.00 44.34 H new ATOM 0 HA2 GLY A 88 -2.227 -16.429 -27.344 1.00 34.44 H new ATOM 0 HA3 GLY A 88 -1.932 -18.029 -26.692 1.00 34.44 H new ATOM 1343 N ASN A 89 -0.046 -16.488 -24.945 1.00 4.34 N ATOM 1344 CA ASN A 89 0.292 -15.947 -23.633 1.00 32.12 C ATOM 1345 C ASN A 89 0.751 -14.496 -23.744 1.00 30.41 C ATOM 1346 O ASN A 89 1.455 -14.128 -24.684 1.00 72.02 O ATOM 1347 CB ASN A 89 1.386 -16.791 -22.976 1.00 70.33 C ATOM 1348 CG ASN A 89 2.748 -16.562 -23.603 1.00 54.04 C ATOM 1349 OD1 ASN A 89 3.418 -15.571 -23.314 1.00 12.23 O ATOM 1350 ND2 ASN A 89 3.163 -17.480 -24.468 1.00 73.32 N ATOM 0 H ASN A 89 0.740 -16.901 -25.446 1.00 4.34 H new ATOM 0 HA ASN A 89 -0.604 -15.979 -23.013 1.00 32.12 H new ATOM 0 HB2 ASN A 89 1.434 -16.555 -21.913 1.00 70.33 H new ATOM 0 HB3 ASN A 89 1.125 -17.846 -23.057 1.00 70.33 H new ATOM 0 HD21 ASN A 89 4.071 -17.379 -24.923 1.00 73.32 H new ATOM 0 HD22 ASN A 89 2.574 -18.286 -24.678 1.00 73.32 H new ATOM 1357 N TRP A 90 0.348 -13.679 -22.778 1.00 2.10 N ATOM 1358 CA TRP A 90 0.719 -12.268 -22.767 1.00 31.32 C ATOM 1359 C TRP A 90 1.946 -12.035 -21.892 1.00 52.34 C ATOM 1360 O TRP A 90 2.338 -12.902 -21.111 1.00 34.24 O ATOM 1361 CB TRP A 90 -0.449 -11.417 -22.266 1.00 50.22 C ATOM 1362 CG TRP A 90 -1.726 -11.663 -23.012 1.00 2.32 C ATOM 1363 CD1 TRP A 90 -2.549 -12.745 -22.892 1.00 35.43 C ATOM 1364 CD2 TRP A 90 -2.323 -10.809 -23.994 1.00 1.34 C ATOM 1365 NE1 TRP A 90 -3.623 -12.616 -23.740 1.00 2.21 N ATOM 1366 CE2 TRP A 90 -3.508 -11.436 -24.426 1.00 63.02 C ATOM 1367 CE3 TRP A 90 -1.973 -9.574 -24.548 1.00 34.51 C ATOM 1368 CZ2 TRP A 90 -4.341 -10.870 -25.387 1.00 52.01 C ATOM 1369 CZ3 TRP A 90 -2.802 -9.014 -25.502 1.00 25.23 C ATOM 1370 CH2 TRP A 90 -3.975 -9.661 -25.913 1.00 5.00 C ATOM 0 H TRP A 90 -0.235 -13.968 -21.993 1.00 2.10 H new ATOM 0 HA TRP A 90 0.963 -11.973 -23.788 1.00 31.32 H new ATOM 0 HB2 TRP A 90 -0.610 -11.621 -21.207 1.00 50.22 H new ATOM 0 HB3 TRP A 90 -0.184 -10.363 -22.351 1.00 50.22 H new ATOM 0 HD1 TRP A 90 -2.381 -13.580 -22.228 1.00 35.43 H new ATOM 0 HE1 TRP A 90 -4.382 -13.289 -23.842 1.00 2.21 H new ATOM 0 HE3 TRP A 90 -1.072 -9.067 -24.236 1.00 34.51 H new ATOM 0 HZ2 TRP A 90 -5.245 -11.368 -25.706 1.00 52.01 H new ATOM 0 HZ3 TRP A 90 -2.541 -8.061 -25.938 1.00 25.23 H new ATOM 0 HH2 TRP A 90 -4.602 -9.196 -26.659 1.00 5.00 H new ATOM 1381 N LEU A 91 2.549 -10.859 -22.029 1.00 13.25 N ATOM 1382 CA LEU A 91 3.732 -10.511 -21.250 1.00 23.23 C ATOM 1383 C LEU A 91 3.825 -9.003 -21.044 1.00 11.32 C ATOM 1384 O LEU A 91 3.227 -8.228 -21.789 1.00 52.52 O ATOM 1385 CB LEU A 91 4.994 -11.020 -21.948 1.00 63.42 C ATOM 1386 CG LEU A 91 5.188 -12.537 -21.961 1.00 65.15 C ATOM 1387 CD1 LEU A 91 6.383 -12.915 -22.824 1.00 11.23 C ATOM 1388 CD2 LEU A 91 5.363 -13.065 -20.545 1.00 12.11 C ATOM 0 H LEU A 91 2.238 -10.131 -22.672 1.00 13.25 H new ATOM 0 HA LEU A 91 3.646 -10.988 -20.274 1.00 23.23 H new ATOM 0 HB2 LEU A 91 4.983 -10.666 -22.979 1.00 63.42 H new ATOM 0 HB3 LEU A 91 5.860 -10.567 -21.465 1.00 63.42 H new ATOM 0 HG LEU A 91 4.296 -12.994 -22.390 1.00 65.15 H new ATOM 0 HD11 LEU A 91 6.506 -13.998 -22.821 1.00 11.23 H new ATOM 0 HD12 LEU A 91 6.218 -12.571 -23.845 1.00 11.23 H new ATOM 0 HD13 LEU A 91 7.283 -12.447 -22.425 1.00 11.23 H new ATOM 0 HD21 LEU A 91 5.500 -14.146 -20.574 1.00 12.11 H new ATOM 0 HD22 LEU A 91 6.237 -12.601 -20.089 1.00 12.11 H new ATOM 0 HD23 LEU A 91 4.477 -12.827 -19.956 1.00 12.11 H new ATOM 1400 N GLU A 92 4.580 -8.594 -20.029 1.00 21.32 N ATOM 1401 CA GLU A 92 4.752 -7.178 -19.727 1.00 34.13 C ATOM 1402 C GLU A 92 5.721 -6.526 -20.708 1.00 52.25 C ATOM 1403 O GLU A 92 6.678 -7.153 -21.162 1.00 31.42 O ATOM 1404 CB GLU A 92 5.260 -6.997 -18.295 1.00 22.31 C ATOM 1405 CG GLU A 92 6.525 -7.784 -17.994 1.00 42.55 C ATOM 1406 CD GLU A 92 7.087 -7.481 -16.619 1.00 20.32 C ATOM 1407 OE1 GLU A 92 7.537 -6.337 -16.401 1.00 13.33 O ATOM 1408 OE2 GLU A 92 7.078 -8.389 -15.761 1.00 15.50 O ATOM 0 H GLU A 92 5.082 -9.223 -19.402 1.00 21.32 H new ATOM 0 HA GLU A 92 3.781 -6.692 -19.825 1.00 34.13 H new ATOM 0 HB2 GLU A 92 5.450 -5.939 -18.117 1.00 22.31 H new ATOM 0 HB3 GLU A 92 4.478 -7.302 -17.600 1.00 22.31 H new ATOM 0 HG2 GLU A 92 6.311 -8.850 -18.068 1.00 42.55 H new ATOM 0 HG3 GLU A 92 7.278 -7.557 -18.748 1.00 42.55 H new ATOM 1415 N ARG A 93 5.465 -5.263 -21.033 1.00 14.44 N ATOM 1416 CA ARG A 93 6.312 -4.525 -21.962 1.00 24.34 C ATOM 1417 C ARG A 93 6.502 -3.084 -21.498 1.00 24.14 C ATOM 1418 O ARG A 93 5.715 -2.194 -21.819 1.00 44.41 O ATOM 1419 CB ARG A 93 5.704 -4.544 -23.365 1.00 63.42 C ATOM 1420 CG ARG A 93 6.737 -4.468 -24.478 1.00 22.14 C ATOM 1421 CD ARG A 93 7.638 -5.694 -24.487 1.00 14.52 C ATOM 1422 NE ARG A 93 8.409 -5.797 -25.723 1.00 0.35 N ATOM 1423 CZ ARG A 93 9.058 -6.894 -26.094 1.00 62.51 C ATOM 1424 NH1 ARG A 93 9.029 -7.977 -25.329 1.00 74.12 N ATOM 1425 NH2 ARG A 93 9.738 -6.911 -27.233 1.00 45.13 N ATOM 0 H ARG A 93 4.677 -4.729 -20.666 1.00 14.44 H new ATOM 0 HA ARG A 93 7.287 -5.011 -21.989 1.00 24.34 H new ATOM 0 HB2 ARG A 93 5.119 -5.456 -23.486 1.00 63.42 H new ATOM 0 HB3 ARG A 93 5.014 -3.706 -23.464 1.00 63.42 H new ATOM 0 HG2 ARG A 93 6.231 -4.380 -25.440 1.00 22.14 H new ATOM 0 HG3 ARG A 93 7.343 -3.571 -24.353 1.00 22.14 H new ATOM 0 HD2 ARG A 93 8.319 -5.649 -23.637 1.00 14.52 H new ATOM 0 HD3 ARG A 93 7.031 -6.591 -24.362 1.00 14.52 H new ATOM 0 HE ARG A 93 8.451 -4.982 -26.334 1.00 0.35 H new ATOM 0 HH11 ARG A 93 8.507 -7.969 -24.453 1.00 74.12 H new ATOM 0 HH12 ARG A 93 9.529 -8.818 -25.617 1.00 74.12 H new ATOM 0 HH21 ARG A 93 9.763 -6.081 -27.825 1.00 45.13 H new ATOM 0 HH22 ARG A 93 10.236 -7.755 -27.517 1.00 45.13 H new ATOM 1439 N PRO A 94 7.572 -2.848 -20.723 1.00 15.22 N ATOM 1440 CA PRO A 94 7.890 -1.517 -20.198 1.00 0.40 C ATOM 1441 C PRO A 94 8.347 -0.557 -21.291 1.00 5.21 C ATOM 1442 O PRO A 94 9.508 -0.576 -21.701 1.00 60.12 O ATOM 1443 CB PRO A 94 9.030 -1.787 -19.213 1.00 32.34 C ATOM 1444 CG PRO A 94 9.663 -3.044 -19.702 1.00 0.13 C ATOM 1445 CD PRO A 94 8.552 -3.862 -20.300 1.00 41.20 C ATOM 0 HA PRO A 94 7.021 -1.039 -19.745 1.00 0.40 H new ATOM 0 HB2 PRO A 94 9.744 -0.964 -19.199 1.00 32.34 H new ATOM 0 HB3 PRO A 94 8.656 -1.902 -18.196 1.00 32.34 H new ATOM 0 HG2 PRO A 94 10.433 -2.830 -20.443 1.00 0.13 H new ATOM 0 HG3 PRO A 94 10.147 -3.580 -18.886 1.00 0.13 H new ATOM 0 HD2 PRO A 94 8.901 -4.459 -21.142 1.00 41.20 H new ATOM 0 HD3 PRO A 94 8.126 -4.554 -19.573 1.00 41.20 H new ATOM 1453 N ARG A 95 7.428 0.282 -21.758 1.00 45.00 N ATOM 1454 CA ARG A 95 7.738 1.249 -22.804 1.00 40.12 C ATOM 1455 C ARG A 95 7.660 2.675 -22.267 1.00 12.11 C ATOM 1456 O ARG A 95 6.958 2.944 -21.292 1.00 4.02 O ATOM 1457 CB ARG A 95 6.776 1.083 -23.982 1.00 44.24 C ATOM 1458 CG ARG A 95 6.886 -0.266 -24.673 1.00 65.31 C ATOM 1459 CD ARG A 95 6.332 -0.215 -26.088 1.00 41.42 C ATOM 1460 NE ARG A 95 4.915 0.138 -26.108 1.00 70.44 N ATOM 1461 CZ ARG A 95 3.942 -0.714 -25.806 1.00 34.24 C ATOM 1462 NH1 ARG A 95 4.231 -1.961 -25.461 1.00 30.31 N ATOM 1463 NH2 ARG A 95 2.676 -0.319 -25.847 1.00 13.20 N ATOM 0 H ARG A 95 6.463 0.312 -21.429 1.00 45.00 H new ATOM 0 HA ARG A 95 8.756 1.063 -23.146 1.00 40.12 H new ATOM 0 HB2 ARG A 95 5.754 1.218 -23.627 1.00 44.24 H new ATOM 0 HB3 ARG A 95 6.967 1.871 -24.710 1.00 44.24 H new ATOM 0 HG2 ARG A 95 7.930 -0.577 -24.701 1.00 65.31 H new ATOM 0 HG3 ARG A 95 6.345 -1.016 -24.096 1.00 65.31 H new ATOM 0 HD2 ARG A 95 6.895 0.513 -26.672 1.00 41.42 H new ATOM 0 HD3 ARG A 95 6.471 -1.184 -26.567 1.00 41.42 H new ATOM 0 HE ARG A 95 4.659 1.090 -26.368 1.00 70.44 H new ATOM 0 HH11 ARG A 95 5.203 -2.269 -25.427 1.00 30.31 H new ATOM 0 HH12 ARG A 95 3.481 -2.613 -25.230 1.00 30.31 H new ATOM 0 HH21 ARG A 95 2.449 0.640 -26.111 1.00 13.20 H new ATOM 0 HH22 ARG A 95 1.930 -0.974 -25.615 1.00 13.20 H new ATOM 1477 N SER A 96 8.385 3.585 -22.910 1.00 22.24 N ATOM 1478 CA SER A 96 8.402 4.982 -22.494 1.00 15.42 C ATOM 1479 C SER A 96 7.822 5.880 -23.583 1.00 31.12 C ATOM 1480 O SER A 96 8.304 5.891 -24.716 1.00 74.15 O ATOM 1481 CB SER A 96 9.829 5.421 -22.162 1.00 1.02 C ATOM 1482 OG SER A 96 10.748 4.361 -22.362 1.00 31.24 O ATOM 0 H SER A 96 8.968 3.379 -23.721 1.00 22.24 H new ATOM 0 HA SER A 96 7.784 5.077 -21.601 1.00 15.42 H new ATOM 0 HB2 SER A 96 10.106 6.270 -22.787 1.00 1.02 H new ATOM 0 HB3 SER A 96 9.878 5.758 -21.127 1.00 1.02 H new ATOM 0 HG SER A 96 11.653 4.667 -22.145 1.00 31.24 H new ATOM 1488 N LEU A 97 6.785 6.632 -23.231 1.00 33.31 N ATOM 1489 CA LEU A 97 6.137 7.534 -24.177 1.00 65.23 C ATOM 1490 C LEU A 97 6.747 8.930 -24.102 1.00 51.05 C ATOM 1491 O LEU A 97 6.486 9.684 -23.164 1.00 41.35 O ATOM 1492 CB LEU A 97 4.635 7.605 -23.898 1.00 61.03 C ATOM 1493 CG LEU A 97 3.967 6.294 -23.482 1.00 11.22 C ATOM 1494 CD1 LEU A 97 2.462 6.477 -23.361 1.00 40.10 C ATOM 1495 CD2 LEU A 97 4.294 5.190 -24.476 1.00 33.50 C ATOM 0 H LEU A 97 6.375 6.635 -22.297 1.00 33.31 H new ATOM 0 HA LEU A 97 6.295 7.142 -25.182 1.00 65.23 H new ATOM 0 HB2 LEU A 97 4.466 8.341 -23.112 1.00 61.03 H new ATOM 0 HB3 LEU A 97 4.136 7.975 -24.794 1.00 61.03 H new ATOM 0 HG LEU A 97 4.356 6.003 -22.506 1.00 11.22 H new ATOM 0 HD11 LEU A 97 2.003 5.534 -23.064 1.00 40.10 H new ATOM 0 HD12 LEU A 97 2.247 7.237 -22.610 1.00 40.10 H new ATOM 0 HD13 LEU A 97 2.055 6.792 -24.322 1.00 40.10 H new ATOM 0 HD21 LEU A 97 3.810 4.264 -24.164 1.00 33.50 H new ATOM 0 HD22 LEU A 97 3.933 5.472 -25.465 1.00 33.50 H new ATOM 0 HD23 LEU A 97 5.373 5.041 -24.512 1.00 33.50 H new ATOM 1507 N THR A 98 7.559 9.270 -25.099 1.00 23.14 N ATOM 1508 CA THR A 98 8.205 10.576 -25.147 1.00 30.54 C ATOM 1509 C THR A 98 7.219 11.662 -25.561 1.00 71.41 C ATOM 1510 O THR A 98 6.254 11.397 -26.280 1.00 0.24 O ATOM 1511 CB THR A 98 9.395 10.578 -26.125 1.00 10.03 C ATOM 1512 OG1 THR A 98 8.921 10.486 -27.473 1.00 23.32 O ATOM 1513 CG2 THR A 98 10.338 9.420 -25.833 1.00 12.52 C ATOM 0 H THR A 98 7.785 8.659 -25.884 1.00 23.14 H new ATOM 0 HA THR A 98 8.570 10.785 -24.142 1.00 30.54 H new ATOM 0 HB THR A 98 9.942 11.512 -25.996 1.00 10.03 H new ATOM 0 HG1 THR A 98 9.683 10.490 -28.089 1.00 23.32 H new ATOM 0 HG21 THR A 98 11.170 9.442 -26.536 1.00 12.52 H new ATOM 0 HG22 THR A 98 10.720 9.509 -24.816 1.00 12.52 H new ATOM 0 HG23 THR A 98 9.800 8.478 -25.937 1.00 12.52 H new ATOM 1521 N LEU A 99 7.467 12.884 -25.105 1.00 11.40 N ATOM 1522 CA LEU A 99 6.600 14.012 -25.429 1.00 44.34 C ATOM 1523 C LEU A 99 6.374 14.109 -26.935 1.00 14.44 C ATOM 1524 O LEU A 99 7.324 14.193 -27.713 1.00 20.22 O ATOM 1525 CB LEU A 99 7.210 15.315 -24.909 1.00 11.21 C ATOM 1526 CG LEU A 99 6.225 16.449 -24.620 1.00 31.52 C ATOM 1527 CD1 LEU A 99 5.546 16.236 -23.275 1.00 45.14 C ATOM 1528 CD2 LEU A 99 6.935 17.794 -24.654 1.00 70.02 C ATOM 0 H LEU A 99 8.261 13.120 -24.510 1.00 11.40 H new ATOM 0 HA LEU A 99 5.637 13.850 -24.945 1.00 44.34 H new ATOM 0 HB2 LEU A 99 7.759 15.096 -23.993 1.00 11.21 H new ATOM 0 HB3 LEU A 99 7.937 15.669 -25.640 1.00 11.21 H new ATOM 0 HG LEU A 99 5.459 16.446 -25.395 1.00 31.52 H new ATOM 0 HD11 LEU A 99 4.849 17.052 -23.086 1.00 45.14 H new ATOM 0 HD12 LEU A 99 5.003 15.291 -23.287 1.00 45.14 H new ATOM 0 HD13 LEU A 99 6.299 16.212 -22.487 1.00 45.14 H new ATOM 0 HD21 LEU A 99 6.219 18.589 -24.446 1.00 70.02 H new ATOM 0 HD22 LEU A 99 7.722 17.809 -23.900 1.00 70.02 H new ATOM 0 HD23 LEU A 99 7.373 17.949 -25.640 1.00 70.02 H new