USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 589 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 33 MET CE :methyl -125:sc= -3.59! (180deg=-7.79!) USER MOD Set 1.2: A 36 THR OG1 : rot -170:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 30 THR OG1 : rot -50:sc= 1.25 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -2.57 K(o=-2.6,f=-4.8!) USER MOD Single : A 41 GLN : amide:sc= -0.395 K(o=-0.4,f=-1.7) 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= -3.1 K(o=-3.1,f=-7.1!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -2.86! C(o=-2.9!,f=-9.4!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 130:sc= -0.277 USER MOD Single : A 76 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0346) USER MOD Single : A 89 ASN : amide:sc= -2.23 K(o=-2.2,f=-5.2!) USER MOD Single : A 96 SER OG : rot -104:sc= 0.465 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 359 N PHE A 22 -11.705 4.311 -14.824 1.00 44.13 N ATOM 360 CA PHE A 22 -12.265 4.699 -16.114 1.00 24.42 C ATOM 361 C PHE A 22 -11.190 4.693 -17.197 1.00 40.40 C ATOM 362 O PHE A 22 -11.481 4.487 -18.376 1.00 14.11 O ATOM 363 CB PHE A 22 -12.904 6.086 -16.020 1.00 64.31 C ATOM 364 CG PHE A 22 -13.255 6.675 -17.356 1.00 42.41 C ATOM 365 CD1 PHE A 22 -12.333 7.437 -18.056 1.00 63.42 C ATOM 366 CD2 PHE A 22 -14.507 6.469 -17.912 1.00 32.04 C ATOM 367 CE1 PHE A 22 -12.652 7.980 -19.286 1.00 55.40 C ATOM 368 CE2 PHE A 22 -14.832 7.010 -19.141 1.00 75.21 C ATOM 369 CZ PHE A 22 -13.904 7.767 -19.829 1.00 15.54 C ATOM 0 HA PHE A 22 -13.031 3.972 -16.384 1.00 24.42 H new ATOM 0 HB2 PHE A 22 -13.806 6.021 -15.412 1.00 64.31 H new ATOM 0 HB3 PHE A 22 -12.219 6.759 -15.504 1.00 64.31 H new ATOM 0 HD1 PHE A 22 -11.353 7.609 -17.635 1.00 63.42 H new ATOM 0 HD2 PHE A 22 -15.237 5.879 -17.379 1.00 32.04 H new ATOM 0 HE1 PHE A 22 -11.923 8.570 -19.822 1.00 55.40 H new ATOM 0 HE2 PHE A 22 -15.811 6.841 -19.564 1.00 75.21 H new ATOM 0 HZ PHE A 22 -14.157 8.191 -20.789 1.00 15.54 H new ATOM 379 N LEU A 23 -9.947 4.922 -16.789 1.00 44.43 N ATOM 380 CA LEU A 23 -8.827 4.945 -17.724 1.00 62.00 C ATOM 381 C LEU A 23 -8.128 3.590 -17.769 1.00 44.11 C ATOM 382 O LEU A 23 -7.589 3.194 -18.802 1.00 24.33 O ATOM 383 CB LEU A 23 -7.828 6.034 -17.328 1.00 52.01 C ATOM 384 CG LEU A 23 -8.430 7.338 -16.804 1.00 13.21 C ATOM 385 CD1 LEU A 23 -7.682 7.813 -15.568 1.00 45.13 C ATOM 386 CD2 LEU A 23 -8.410 8.408 -17.886 1.00 62.11 C ATOM 0 H LEU A 23 -9.689 5.094 -15.817 1.00 44.43 H new ATOM 0 HA LEU A 23 -9.219 5.164 -18.717 1.00 62.00 H new ATOM 0 HB2 LEU A 23 -7.165 5.630 -16.563 1.00 52.01 H new ATOM 0 HB3 LEU A 23 -7.210 6.265 -18.196 1.00 52.01 H new ATOM 0 HG LEU A 23 -9.467 7.150 -16.526 1.00 13.21 H new ATOM 0 HD11 LEU A 23 -8.125 8.742 -15.209 1.00 45.13 H new ATOM 0 HD12 LEU A 23 -7.749 7.054 -14.788 1.00 45.13 H new ATOM 0 HD13 LEU A 23 -6.635 7.983 -15.819 1.00 45.13 H new ATOM 0 HD21 LEU A 23 -8.842 9.329 -17.495 1.00 62.11 H new ATOM 0 HD22 LEU A 23 -7.381 8.593 -18.196 1.00 62.11 H new ATOM 0 HD23 LEU A 23 -8.992 8.069 -18.743 1.00 62.11 H new ATOM 398 N GLU A 24 -8.143 2.884 -16.643 1.00 11.13 N ATOM 399 CA GLU A 24 -7.511 1.573 -16.555 1.00 74.21 C ATOM 400 C GLU A 24 -8.277 0.544 -17.382 1.00 32.33 C ATOM 401 O GLU A 24 -7.860 -0.607 -17.501 1.00 70.50 O ATOM 402 CB GLU A 24 -7.433 1.116 -15.097 1.00 14.01 C ATOM 403 CG GLU A 24 -6.126 1.482 -14.414 1.00 35.34 C ATOM 404 CD GLU A 24 -6.151 1.207 -12.923 1.00 21.35 C ATOM 405 OE1 GLU A 24 -6.479 0.065 -12.536 1.00 12.42 O ATOM 406 OE2 GLU A 24 -5.842 2.132 -12.143 1.00 31.21 O ATOM 0 H GLU A 24 -8.586 3.198 -15.779 1.00 11.13 H new ATOM 0 HA GLU A 24 -6.501 1.657 -16.956 1.00 74.21 H new ATOM 0 HB2 GLU A 24 -8.260 1.559 -14.542 1.00 14.01 H new ATOM 0 HB3 GLU A 24 -7.564 0.035 -15.056 1.00 14.01 H new ATOM 0 HG2 GLU A 24 -5.312 0.919 -14.870 1.00 35.34 H new ATOM 0 HG3 GLU A 24 -5.916 2.538 -14.582 1.00 35.34 H new ATOM 413 N GLY A 25 -9.402 0.968 -17.950 1.00 44.25 N ATOM 414 CA GLY A 25 -10.209 0.072 -18.758 1.00 3.12 C ATOM 415 C GLY A 25 -9.774 0.050 -20.210 1.00 30.23 C ATOM 416 O GLY A 25 -10.168 -0.835 -20.970 1.00 31.02 O ATOM 0 H GLY A 25 -9.769 1.916 -17.865 1.00 44.25 H new ATOM 0 HA2 GLY A 25 -10.148 -0.936 -18.348 1.00 3.12 H new ATOM 0 HA3 GLY A 25 -11.254 0.377 -18.700 1.00 3.12 H new ATOM 420 N PHE A 26 -8.960 1.026 -20.597 1.00 55.53 N ATOM 421 CA PHE A 26 -8.474 1.117 -21.969 1.00 1.10 C ATOM 422 C PHE A 26 -7.020 0.662 -22.062 1.00 34.03 C ATOM 423 O PHE A 26 -6.426 0.241 -21.070 1.00 54.11 O ATOM 424 CB PHE A 26 -8.605 2.551 -22.485 1.00 41.53 C ATOM 425 CG PHE A 26 -9.996 3.105 -22.370 1.00 54.23 C ATOM 426 CD1 PHE A 26 -10.987 2.716 -23.258 1.00 23.25 C ATOM 427 CD2 PHE A 26 -10.314 4.016 -21.375 1.00 62.32 C ATOM 428 CE1 PHE A 26 -12.268 3.223 -23.154 1.00 54.23 C ATOM 429 CE2 PHE A 26 -11.594 4.526 -21.267 1.00 4.02 C ATOM 430 CZ PHE A 26 -12.572 4.130 -22.158 1.00 43.31 C ATOM 0 H PHE A 26 -8.623 1.765 -19.980 1.00 55.53 H new ATOM 0 HA PHE A 26 -9.083 0.458 -22.588 1.00 1.10 H new ATOM 0 HB2 PHE A 26 -7.920 3.192 -21.930 1.00 41.53 H new ATOM 0 HB3 PHE A 26 -8.295 2.582 -23.530 1.00 41.53 H new ATOM 0 HD1 PHE A 26 -10.755 2.008 -24.040 1.00 23.25 H new ATOM 0 HD2 PHE A 26 -9.553 4.331 -20.676 1.00 62.32 H new ATOM 0 HE1 PHE A 26 -13.031 2.910 -23.851 1.00 54.23 H new ATOM 0 HE2 PHE A 26 -11.829 5.234 -20.486 1.00 4.02 H new ATOM 0 HZ PHE A 26 -13.572 4.529 -22.076 1.00 43.31 H new ATOM 440 N ASN A 27 -6.455 0.750 -23.261 1.00 64.41 N ATOM 441 CA ASN A 27 -5.071 0.346 -23.485 1.00 31.11 C ATOM 442 C ASN A 27 -4.117 1.507 -23.223 1.00 24.11 C ATOM 443 O ASN A 27 -4.496 2.673 -23.336 1.00 63.15 O ATOM 444 CB ASN A 27 -4.892 -0.163 -24.916 1.00 62.45 C ATOM 445 CG ASN A 27 -4.638 -1.657 -24.971 1.00 70.51 C ATOM 446 OD1 ASN A 27 -3.682 -2.158 -24.378 1.00 71.15 O ATOM 447 ND2 ASN A 27 -5.496 -2.377 -25.685 1.00 63.31 N ATOM 0 H ASN A 27 -6.933 1.097 -24.092 1.00 64.41 H new ATOM 0 HA ASN A 27 -4.836 -0.459 -22.788 1.00 31.11 H new ATOM 0 HB2 ASN A 27 -5.784 0.073 -25.497 1.00 62.45 H new ATOM 0 HB3 ASN A 27 -4.059 0.362 -25.384 1.00 62.45 H new ATOM 0 HD21 ASN A 27 -5.377 -3.387 -25.758 1.00 63.31 H new ATOM 0 HD22 ASN A 27 -6.274 -1.920 -26.160 1.00 63.31 H new ATOM 454 N ILE A 28 -2.877 1.179 -22.873 1.00 15.24 N ATOM 455 CA ILE A 28 -1.869 2.194 -22.596 1.00 44.33 C ATOM 456 C ILE A 28 -1.322 2.792 -23.888 1.00 54.53 C ATOM 457 O ILE A 28 -0.886 3.943 -23.915 1.00 24.52 O ATOM 458 CB ILE A 28 -0.699 1.618 -21.776 1.00 73.55 C ATOM 459 CG1 ILE A 28 0.217 2.743 -21.293 1.00 3.10 C ATOM 460 CG2 ILE A 28 0.082 0.610 -22.606 1.00 25.44 C ATOM 461 CD1 ILE A 28 -0.470 3.731 -20.377 1.00 34.02 C ATOM 0 H ILE A 28 -2.547 0.219 -22.775 1.00 15.24 H new ATOM 0 HA ILE A 28 -2.360 2.975 -22.015 1.00 44.33 H new ATOM 0 HB ILE A 28 -1.103 1.106 -20.903 1.00 73.55 H new ATOM 0 HG12 ILE A 28 1.069 2.308 -20.771 1.00 3.10 H new ATOM 0 HG13 ILE A 28 0.612 3.276 -22.158 1.00 3.10 H new ATOM 0 HG21 ILE A 28 0.906 0.211 -22.014 1.00 25.44 H new ATOM 0 HG22 ILE A 28 -0.578 -0.205 -22.905 1.00 25.44 H new ATOM 0 HG23 ILE A 28 0.478 1.100 -23.495 1.00 25.44 H new ATOM 0 HD11 ILE A 28 0.240 4.501 -20.074 1.00 34.02 H new ATOM 0 HD12 ILE A 28 -1.305 4.194 -20.902 1.00 34.02 H new ATOM 0 HD13 ILE A 28 -0.841 3.211 -19.494 1.00 34.02 H new ATOM 473 N GLU A 29 -1.352 2.004 -24.958 1.00 74.02 N ATOM 474 CA GLU A 29 -0.861 2.457 -26.254 1.00 61.12 C ATOM 475 C GLU A 29 -1.845 3.428 -26.900 1.00 2.41 C ATOM 476 O GLU A 29 -1.449 4.339 -27.628 1.00 51.23 O ATOM 477 CB GLU A 29 -0.624 1.262 -27.181 1.00 14.53 C ATOM 478 CG GLU A 29 -1.844 0.372 -27.349 1.00 61.03 C ATOM 479 CD GLU A 29 -1.690 -0.620 -28.486 1.00 43.41 C ATOM 480 OE1 GLU A 29 -0.780 -0.430 -29.320 1.00 24.42 O ATOM 481 OE2 GLU A 29 -2.480 -1.585 -28.541 1.00 63.43 O ATOM 0 H GLU A 29 -1.711 1.049 -24.953 1.00 74.02 H new ATOM 0 HA GLU A 29 0.084 2.977 -26.094 1.00 61.12 H new ATOM 0 HB2 GLU A 29 -0.314 1.628 -28.160 1.00 14.53 H new ATOM 0 HB3 GLU A 29 0.199 0.666 -26.788 1.00 14.53 H new ATOM 0 HG2 GLU A 29 -2.024 -0.170 -26.421 1.00 61.03 H new ATOM 0 HG3 GLU A 29 -2.721 0.994 -27.530 1.00 61.03 H new ATOM 488 N THR A 30 -3.131 3.227 -26.628 1.00 44.50 N ATOM 489 CA THR A 30 -4.172 4.083 -27.183 1.00 1.13 C ATOM 490 C THR A 30 -3.974 5.534 -26.761 1.00 4.41 C ATOM 491 O THR A 30 -4.469 6.454 -27.413 1.00 4.12 O ATOM 492 CB THR A 30 -5.573 3.619 -26.743 1.00 14.41 C ATOM 493 OG1 THR A 30 -5.725 3.790 -25.329 1.00 64.03 O ATOM 494 CG2 THR A 30 -5.801 2.161 -27.110 1.00 62.21 C ATOM 0 H THR A 30 -3.476 2.479 -26.027 1.00 44.50 H new ATOM 0 HA THR A 30 -4.097 4.010 -28.268 1.00 1.13 H new ATOM 0 HB THR A 30 -6.312 4.228 -27.263 1.00 14.41 H new ATOM 0 HG1 THR A 30 -4.961 3.386 -24.867 1.00 64.03 H new ATOM 0 HG21 THR A 30 -6.797 1.857 -26.789 1.00 62.21 H new ATOM 0 HG22 THR A 30 -5.715 2.040 -28.190 1.00 62.21 H new ATOM 0 HG23 THR A 30 -5.055 1.540 -26.615 1.00 62.21 H new ATOM 502 N PHE A 31 -3.246 5.734 -25.667 1.00 20.42 N ATOM 503 CA PHE A 31 -2.982 7.074 -25.158 1.00 13.43 C ATOM 504 C PHE A 31 -1.816 7.719 -25.902 1.00 15.25 C ATOM 505 O PHE A 31 -0.985 7.029 -26.491 1.00 34.15 O ATOM 506 CB PHE A 31 -2.680 7.023 -23.659 1.00 1.44 C ATOM 507 CG PHE A 31 -3.763 6.367 -22.851 1.00 3.24 C ATOM 508 CD1 PHE A 31 -5.089 6.458 -23.242 1.00 2.12 C ATOM 509 CD2 PHE A 31 -3.455 5.659 -21.700 1.00 45.23 C ATOM 510 CE1 PHE A 31 -6.087 5.856 -22.500 1.00 31.14 C ATOM 511 CE2 PHE A 31 -4.449 5.054 -20.954 1.00 44.42 C ATOM 512 CZ PHE A 31 -5.767 5.152 -21.355 1.00 44.21 C ATOM 0 H PHE A 31 -2.828 4.984 -25.116 1.00 20.42 H new ATOM 0 HA PHE A 31 -3.873 7.680 -25.321 1.00 13.43 H new ATOM 0 HB2 PHE A 31 -1.745 6.485 -23.503 1.00 1.44 H new ATOM 0 HB3 PHE A 31 -2.529 8.038 -23.292 1.00 1.44 H new ATOM 0 HD1 PHE A 31 -5.345 7.006 -24.137 1.00 2.12 H new ATOM 0 HD2 PHE A 31 -2.426 5.579 -21.382 1.00 45.23 H new ATOM 0 HE1 PHE A 31 -7.117 5.936 -22.815 1.00 31.14 H new ATOM 0 HE2 PHE A 31 -4.195 4.505 -20.059 1.00 44.42 H new ATOM 0 HZ PHE A 31 -6.546 4.679 -20.775 1.00 44.21 H new ATOM 522 N GLU A 32 -1.764 9.047 -25.870 1.00 3.24 N ATOM 523 CA GLU A 32 -0.701 9.785 -26.542 1.00 2.11 C ATOM 524 C GLU A 32 -0.421 11.106 -25.831 1.00 34.15 C ATOM 525 O GLU A 32 -1.340 11.867 -25.530 1.00 12.41 O ATOM 526 CB GLU A 32 -1.077 10.049 -28.001 1.00 72.04 C ATOM 527 CG GLU A 32 -2.386 10.803 -28.166 1.00 11.14 C ATOM 528 CD GLU A 32 -3.134 10.407 -29.424 1.00 22.31 C ATOM 529 OE1 GLU A 32 -2.548 9.686 -30.259 1.00 32.41 O ATOM 530 OE2 GLU A 32 -4.303 10.817 -29.574 1.00 14.21 O ATOM 0 H GLU A 32 -2.445 9.633 -25.387 1.00 3.24 H new ATOM 0 HA GLU A 32 0.203 9.177 -26.511 1.00 2.11 H new ATOM 0 HB2 GLU A 32 -0.278 10.618 -28.476 1.00 72.04 H new ATOM 0 HB3 GLU A 32 -1.147 9.097 -28.527 1.00 72.04 H new ATOM 0 HG2 GLU A 32 -3.019 10.618 -27.298 1.00 11.14 H new ATOM 0 HG3 GLU A 32 -2.183 11.874 -28.190 1.00 11.14 H new ATOM 537 N MET A 33 0.854 11.369 -25.564 1.00 53.51 N ATOM 538 CA MET A 33 1.255 12.598 -24.889 1.00 14.24 C ATOM 539 C MET A 33 0.663 13.819 -25.585 1.00 50.52 C ATOM 540 O MET A 33 0.766 13.962 -26.804 1.00 35.13 O ATOM 541 CB MET A 33 2.780 12.709 -24.848 1.00 70.31 C ATOM 542 CG MET A 33 3.280 13.962 -24.149 1.00 1.24 C ATOM 543 SD MET A 33 4.968 14.391 -24.615 1.00 23.04 S ATOM 544 CE MET A 33 5.320 15.702 -23.446 1.00 33.34 C ATOM 0 H MET A 33 1.627 10.748 -25.804 1.00 53.51 H new ATOM 0 HA MET A 33 0.873 12.563 -23.869 1.00 14.24 H new ATOM 0 HB2 MET A 33 3.186 11.834 -24.341 1.00 70.31 H new ATOM 0 HB3 MET A 33 3.165 12.694 -25.868 1.00 70.31 H new ATOM 0 HG2 MET A 33 2.619 14.795 -24.388 1.00 1.24 H new ATOM 0 HG3 MET A 33 3.231 13.815 -23.070 1.00 1.24 H new ATOM 0 HE1 MET A 33 5.636 16.595 -23.985 1.00 33.34 H new ATOM 0 HE2 MET A 33 4.423 15.925 -22.868 1.00 33.34 H new ATOM 0 HE3 MET A 33 6.116 15.385 -22.772 1.00 33.34 H new ATOM 554 N VAL A 34 0.043 14.699 -24.804 1.00 23.50 N ATOM 555 CA VAL A 34 -0.564 15.908 -25.346 1.00 51.10 C ATOM 556 C VAL A 34 0.156 17.156 -24.847 1.00 33.24 C ATOM 557 O VAL A 34 0.140 18.198 -25.500 1.00 62.24 O ATOM 558 CB VAL A 34 -2.055 16.004 -24.971 1.00 41.10 C ATOM 559 CG1 VAL A 34 -2.229 15.976 -23.460 1.00 65.02 C ATOM 560 CG2 VAL A 34 -2.673 17.261 -25.564 1.00 10.43 C ATOM 0 H VAL A 34 -0.052 14.596 -23.794 1.00 23.50 H new ATOM 0 HA VAL A 34 -0.473 15.849 -26.431 1.00 51.10 H new ATOM 0 HB VAL A 34 -2.573 15.140 -25.388 1.00 41.10 H new ATOM 0 HG11 VAL A 34 -3.289 16.045 -23.214 1.00 65.02 H new ATOM 0 HG12 VAL A 34 -1.825 15.044 -23.064 1.00 65.02 H new ATOM 0 HG13 VAL A 34 -1.698 16.819 -23.017 1.00 65.02 H new ATOM 0 HG21 VAL A 34 -3.727 17.313 -25.289 1.00 10.43 H new ATOM 0 HG22 VAL A 34 -2.154 18.138 -25.178 1.00 10.43 H new ATOM 0 HG23 VAL A 34 -2.582 17.234 -26.650 1.00 10.43 H new ATOM 570 N GLY A 35 0.787 17.042 -23.682 1.00 23.10 N ATOM 571 CA GLY A 35 1.505 18.168 -23.114 1.00 51.21 C ATOM 572 C GLY A 35 2.256 17.799 -21.850 1.00 14.42 C ATOM 573 O GLY A 35 2.207 16.654 -21.401 1.00 32.32 O ATOM 0 H GLY A 35 0.814 16.190 -23.122 1.00 23.10 H new ATOM 0 HA2 GLY A 35 2.209 18.555 -23.851 1.00 51.21 H new ATOM 0 HA3 GLY A 35 0.801 18.970 -22.893 1.00 51.21 H new ATOM 577 N THR A 36 2.955 18.772 -21.273 1.00 54.33 N ATOM 578 CA THR A 36 3.721 18.544 -20.055 1.00 63.11 C ATOM 579 C THR A 36 3.773 19.801 -19.194 1.00 62.03 C ATOM 580 O THR A 36 3.990 20.903 -19.700 1.00 2.35 O ATOM 581 CB THR A 36 5.160 18.093 -20.373 1.00 15.23 C ATOM 582 OG1 THR A 36 5.559 18.597 -21.652 1.00 65.41 O ATOM 583 CG2 THR A 36 5.265 16.576 -20.363 1.00 65.44 C ATOM 0 H THR A 36 3.006 19.726 -21.631 1.00 54.33 H new ATOM 0 HA THR A 36 3.212 17.752 -19.505 1.00 63.11 H new ATOM 0 HB THR A 36 5.822 18.492 -19.604 1.00 15.23 H new ATOM 0 HG1 THR A 36 6.406 18.181 -21.918 1.00 65.41 H new ATOM 0 HG21 THR A 36 6.289 16.281 -20.590 1.00 65.44 H new ATOM 0 HG22 THR A 36 4.988 16.199 -19.379 1.00 65.44 H new ATOM 0 HG23 THR A 36 4.593 16.160 -21.113 1.00 65.44 H new ATOM 591 N LEU A 37 3.574 19.629 -17.892 1.00 53.33 N ATOM 592 CA LEU A 37 3.599 20.751 -16.960 1.00 14.10 C ATOM 593 C LEU A 37 4.807 20.663 -16.034 1.00 25.30 C ATOM 594 O LEU A 37 5.176 19.580 -15.579 1.00 35.21 O ATOM 595 CB LEU A 37 2.311 20.783 -16.135 1.00 20.22 C ATOM 596 CG LEU A 37 2.093 22.031 -15.279 1.00 54.13 C ATOM 597 CD1 LEU A 37 2.942 21.970 -14.020 1.00 3.35 C ATOM 598 CD2 LEU A 37 2.409 23.287 -16.078 1.00 51.11 C ATOM 0 H LEU A 37 3.394 18.724 -17.458 1.00 53.33 H new ATOM 0 HA LEU A 37 3.675 21.671 -17.540 1.00 14.10 H new ATOM 0 HB2 LEU A 37 1.465 20.681 -16.815 1.00 20.22 H new ATOM 0 HB3 LEU A 37 2.301 19.912 -15.480 1.00 20.22 H new ATOM 0 HG LEU A 37 1.045 22.067 -14.983 1.00 54.13 H new ATOM 0 HD11 LEU A 37 2.773 22.867 -13.424 1.00 3.35 H new ATOM 0 HD12 LEU A 37 2.667 21.090 -13.438 1.00 3.35 H new ATOM 0 HD13 LEU A 37 3.995 21.909 -14.294 1.00 3.35 H new ATOM 0 HD21 LEU A 37 2.248 24.166 -15.453 1.00 51.11 H new ATOM 0 HD22 LEU A 37 3.449 23.259 -16.404 1.00 51.11 H new ATOM 0 HD23 LEU A 37 1.757 23.337 -16.950 1.00 51.11 H new ATOM 610 N SER A 38 5.420 21.810 -15.758 1.00 31.44 N ATOM 611 CA SER A 38 6.588 21.862 -14.887 1.00 24.22 C ATOM 612 C SER A 38 6.570 23.122 -14.027 1.00 54.24 C ATOM 613 O SER A 38 6.295 24.217 -14.518 1.00 32.45 O ATOM 614 CB SER A 38 7.872 21.816 -15.718 1.00 3.35 C ATOM 615 OG SER A 38 8.237 23.111 -16.164 1.00 21.23 O ATOM 0 H SER A 38 5.127 22.715 -16.125 1.00 31.44 H new ATOM 0 HA SER A 38 6.558 20.994 -14.228 1.00 24.22 H new ATOM 0 HB2 SER A 38 8.680 21.392 -15.122 1.00 3.35 H new ATOM 0 HB3 SER A 38 7.730 21.159 -16.576 1.00 3.35 H new ATOM 0 HG SER A 38 9.061 23.055 -16.691 1.00 21.23 H new ATOM 621 N ASN A 39 6.864 22.959 -12.742 1.00 21.33 N ATOM 622 CA ASN A 39 6.881 24.083 -11.812 1.00 72.54 C ATOM 623 C ASN A 39 7.437 23.659 -10.456 1.00 71.14 C ATOM 624 O ASN A 39 7.971 22.560 -10.309 1.00 34.01 O ATOM 625 CB ASN A 39 5.471 24.652 -11.643 1.00 32.13 C ATOM 626 CG ASN A 39 4.575 23.742 -10.825 1.00 13.34 C ATOM 627 OD1 ASN A 39 4.054 24.140 -9.782 1.00 70.41 O ATOM 628 ND2 ASN A 39 4.391 22.514 -11.295 1.00 1.02 N ATOM 0 H ASN A 39 7.094 22.059 -12.320 1.00 21.33 H new ATOM 0 HA ASN A 39 7.530 24.855 -12.225 1.00 72.54 H new ATOM 0 HB2 ASN A 39 5.531 25.628 -11.161 1.00 32.13 H new ATOM 0 HB3 ASN A 39 5.025 24.809 -12.625 1.00 32.13 H new ATOM 0 HD21 ASN A 39 3.798 21.857 -10.788 1.00 1.02 H new ATOM 0 HD22 ASN A 39 4.843 22.227 -12.163 1.00 1.02 H new ATOM 635 N ALA A 40 7.307 24.539 -9.469 1.00 21.33 N ATOM 636 CA ALA A 40 7.794 24.255 -8.124 1.00 51.34 C ATOM 637 C ALA A 40 7.248 22.927 -7.612 1.00 21.14 C ATOM 638 O ALA A 40 7.929 22.207 -6.882 1.00 70.42 O ATOM 639 CB ALA A 40 7.416 25.384 -7.177 1.00 54.42 C ATOM 0 H ALA A 40 6.869 25.454 -9.575 1.00 21.33 H new ATOM 0 HA ALA A 40 8.881 24.179 -8.166 1.00 51.34 H new ATOM 0 HB1 ALA A 40 7.786 25.159 -6.177 1.00 54.42 H new ATOM 0 HB2 ALA A 40 7.860 26.316 -7.527 1.00 54.42 H new ATOM 0 HB3 ALA A 40 6.331 25.487 -7.148 1.00 54.42 H new ATOM 645 N GLN A 41 6.016 22.610 -7.997 1.00 44.04 N ATOM 646 CA GLN A 41 5.380 21.368 -7.575 1.00 13.24 C ATOM 647 C GLN A 41 6.143 20.158 -8.102 1.00 63.00 C ATOM 648 O GLN A 41 6.168 19.103 -7.469 1.00 51.15 O ATOM 649 CB GLN A 41 3.930 21.323 -8.060 1.00 71.33 C ATOM 650 CG GLN A 41 2.913 21.605 -6.966 1.00 53.04 C ATOM 651 CD GLN A 41 3.073 20.688 -5.770 1.00 1.43 C ATOM 652 OE1 GLN A 41 3.725 19.647 -5.854 1.00 10.14 O ATOM 653 NE2 GLN A 41 2.478 21.072 -4.646 1.00 71.42 N ATOM 0 H GLN A 41 5.439 23.196 -8.600 1.00 44.04 H new ATOM 0 HA GLN A 41 5.393 21.335 -6.486 1.00 13.24 H new ATOM 0 HB2 GLN A 41 3.801 22.051 -8.861 1.00 71.33 H new ATOM 0 HB3 GLN A 41 3.729 20.340 -8.487 1.00 71.33 H new ATOM 0 HG2 GLN A 41 3.013 22.641 -6.641 1.00 53.04 H new ATOM 0 HG3 GLN A 41 1.908 21.494 -7.372 1.00 53.04 H new ATOM 0 HE21 GLN A 41 1.947 21.943 -4.622 1.00 71.42 H new ATOM 0 HE22 GLN A 41 2.552 20.496 -3.807 1.00 71.42 H new ATOM 662 N GLY A 42 6.766 20.318 -9.266 1.00 53.10 N ATOM 663 CA GLY A 42 7.521 19.230 -9.859 1.00 42.11 C ATOM 664 C GLY A 42 7.334 19.145 -11.361 1.00 35.02 C ATOM 665 O GLY A 42 7.103 20.157 -12.024 1.00 61.43 O ATOM 0 H GLY A 42 6.761 21.182 -9.809 1.00 53.10 H new ATOM 0 HA2 GLY A 42 8.579 19.362 -9.635 1.00 42.11 H new ATOM 0 HA3 GLY A 42 7.214 18.288 -9.404 1.00 42.11 H new ATOM 669 N THR A 43 7.434 17.934 -11.901 1.00 14.14 N ATOM 670 CA THR A 43 7.276 17.721 -13.334 1.00 22.23 C ATOM 671 C THR A 43 6.145 16.741 -13.623 1.00 14.23 C ATOM 672 O THR A 43 6.287 15.535 -13.419 1.00 53.31 O ATOM 673 CB THR A 43 8.575 17.189 -13.968 1.00 60.14 C ATOM 674 OG1 THR A 43 9.711 17.698 -13.260 1.00 53.34 O ATOM 675 CG2 THR A 43 8.664 17.588 -15.434 1.00 31.32 C ATOM 0 H THR A 43 7.624 17.086 -11.367 1.00 14.14 H new ATOM 0 HA THR A 43 7.035 18.689 -13.773 1.00 22.23 H new ATOM 0 HB THR A 43 8.566 16.101 -13.903 1.00 60.14 H new ATOM 0 HG1 THR A 43 10.532 17.353 -13.669 1.00 53.34 H new ATOM 0 HG21 THR A 43 9.589 17.201 -15.861 1.00 31.32 H new ATOM 0 HG22 THR A 43 7.814 17.174 -15.976 1.00 31.32 H new ATOM 0 HG23 THR A 43 8.653 18.675 -15.517 1.00 31.32 H new ATOM 683 N PHE A 44 5.021 17.267 -14.099 1.00 73.51 N ATOM 684 CA PHE A 44 3.864 16.438 -14.416 1.00 73.52 C ATOM 685 C PHE A 44 3.714 16.267 -15.925 1.00 70.11 C ATOM 686 O PHE A 44 4.136 17.123 -16.702 1.00 71.21 O ATOM 687 CB PHE A 44 2.591 17.056 -13.833 1.00 24.33 C ATOM 688 CG PHE A 44 2.720 17.439 -12.386 1.00 60.31 C ATOM 689 CD1 PHE A 44 3.279 18.654 -12.024 1.00 74.14 C ATOM 690 CD2 PHE A 44 2.283 16.583 -11.388 1.00 33.02 C ATOM 691 CE1 PHE A 44 3.398 19.010 -10.694 1.00 61.40 C ATOM 692 CE2 PHE A 44 2.399 16.933 -10.056 1.00 2.40 C ATOM 693 CZ PHE A 44 2.959 18.148 -9.709 1.00 34.54 C ATOM 0 H PHE A 44 4.887 18.263 -14.274 1.00 73.51 H new ATOM 0 HA PHE A 44 4.020 15.456 -13.970 1.00 73.52 H new ATOM 0 HB2 PHE A 44 2.327 17.941 -14.413 1.00 24.33 H new ATOM 0 HB3 PHE A 44 1.770 16.347 -13.941 1.00 24.33 H new ATOM 0 HD1 PHE A 44 3.626 19.331 -12.791 1.00 74.14 H new ATOM 0 HD2 PHE A 44 1.847 15.631 -11.654 1.00 33.02 H new ATOM 0 HE1 PHE A 44 3.834 19.961 -10.426 1.00 61.40 H new ATOM 0 HE2 PHE A 44 2.053 16.258 -9.287 1.00 2.40 H new ATOM 0 HZ PHE A 44 3.053 18.423 -8.669 1.00 34.54 H new ATOM 703 N ALA A 45 3.111 15.155 -16.332 1.00 34.22 N ATOM 704 CA ALA A 45 2.903 14.872 -17.747 1.00 25.35 C ATOM 705 C ALA A 45 1.418 14.849 -18.090 1.00 50.43 C ATOM 706 O ALA A 45 0.616 14.234 -17.386 1.00 4.11 O ATOM 707 CB ALA A 45 3.554 13.548 -18.121 1.00 34.25 C ATOM 0 H ALA A 45 2.758 14.435 -15.702 1.00 34.22 H new ATOM 0 HA ALA A 45 3.370 15.670 -18.324 1.00 25.35 H new ATOM 0 HB1 ALA A 45 3.391 13.349 -19.180 1.00 34.25 H new ATOM 0 HB2 ALA A 45 4.624 13.600 -17.922 1.00 34.25 H new ATOM 0 HB3 ALA A 45 3.113 12.746 -17.529 1.00 34.25 H new ATOM 713 N LEU A 46 1.057 15.524 -19.176 1.00 13.31 N ATOM 714 CA LEU A 46 -0.334 15.583 -19.613 1.00 61.40 C ATOM 715 C LEU A 46 -0.567 14.666 -20.810 1.00 14.22 C ATOM 716 O LEU A 46 -0.038 14.899 -21.896 1.00 42.54 O ATOM 717 CB LEU A 46 -0.716 17.019 -19.974 1.00 42.21 C ATOM 718 CG LEU A 46 -0.065 18.118 -19.133 1.00 54.21 C ATOM 719 CD1 LEU A 46 -0.447 19.492 -19.662 1.00 71.23 C ATOM 720 CD2 LEU A 46 -0.465 17.978 -17.671 1.00 64.13 C ATOM 0 H LEU A 46 1.708 16.038 -19.770 1.00 13.31 H new ATOM 0 HA LEU A 46 -0.963 15.243 -18.790 1.00 61.40 H new ATOM 0 HB2 LEU A 46 -0.460 17.190 -21.020 1.00 42.21 H new ATOM 0 HB3 LEU A 46 -1.798 17.118 -19.890 1.00 42.21 H new ATOM 0 HG LEU A 46 1.017 18.011 -19.205 1.00 54.21 H new ATOM 0 HD11 LEU A 46 0.025 20.261 -19.051 1.00 71.23 H new ATOM 0 HD12 LEU A 46 -0.111 19.591 -20.694 1.00 71.23 H new ATOM 0 HD13 LEU A 46 -1.530 19.610 -19.620 1.00 71.23 H new ATOM 0 HD21 LEU A 46 0.007 18.768 -17.087 1.00 64.13 H new ATOM 0 HD22 LEU A 46 -1.548 18.058 -17.581 1.00 64.13 H new ATOM 0 HD23 LEU A 46 -0.141 17.007 -17.296 1.00 64.13 H new ATOM 732 N VAL A 47 -1.366 13.623 -20.603 1.00 44.54 N ATOM 733 CA VAL A 47 -1.672 12.673 -21.666 1.00 14.40 C ATOM 734 C VAL A 47 -3.138 12.762 -22.076 1.00 51.10 C ATOM 735 O VAL A 47 -3.980 13.237 -21.314 1.00 33.34 O ATOM 736 CB VAL A 47 -1.358 11.229 -21.235 1.00 63.41 C ATOM 737 CG1 VAL A 47 -2.400 10.727 -20.247 1.00 24.10 C ATOM 738 CG2 VAL A 47 -1.280 10.316 -22.450 1.00 22.13 C ATOM 0 H VAL A 47 -1.812 13.415 -19.710 1.00 44.54 H new ATOM 0 HA VAL A 47 -1.043 12.935 -22.517 1.00 14.40 H new ATOM 0 HB VAL A 47 -0.388 11.220 -20.738 1.00 63.41 H new ATOM 0 HG11 VAL A 47 -2.161 9.705 -19.954 1.00 24.10 H new ATOM 0 HG12 VAL A 47 -2.402 11.366 -19.364 1.00 24.10 H new ATOM 0 HG13 VAL A 47 -3.385 10.750 -20.714 1.00 24.10 H new ATOM 0 HG21 VAL A 47 -1.057 9.299 -22.127 1.00 22.13 H new ATOM 0 HG22 VAL A 47 -2.234 10.329 -22.977 1.00 22.13 H new ATOM 0 HG23 VAL A 47 -0.492 10.665 -23.118 1.00 22.13 H new ATOM 748 N LYS A 48 -3.437 12.301 -23.286 1.00 11.41 N ATOM 749 CA LYS A 48 -4.802 12.326 -23.799 1.00 3.11 C ATOM 750 C LYS A 48 -5.276 10.920 -24.151 1.00 70.13 C ATOM 751 O LYS A 48 -4.497 10.090 -24.618 1.00 43.20 O ATOM 752 CB LYS A 48 -4.889 13.229 -25.031 1.00 41.14 C ATOM 753 CG LYS A 48 -6.255 13.222 -25.695 1.00 13.52 C ATOM 754 CD LYS A 48 -6.329 14.230 -26.829 1.00 51.44 C ATOM 755 CE LYS A 48 -7.694 14.215 -27.501 1.00 21.12 C ATOM 756 NZ LYS A 48 -8.075 15.560 -28.014 1.00 63.23 N ATOM 0 H LYS A 48 -2.752 11.905 -23.930 1.00 11.41 H new ATOM 0 HA LYS A 48 -5.450 12.724 -23.018 1.00 3.11 H new ATOM 0 HB2 LYS A 48 -4.640 14.250 -24.741 1.00 41.14 H new ATOM 0 HB3 LYS A 48 -4.140 12.912 -25.757 1.00 41.14 H new ATOM 0 HG2 LYS A 48 -6.469 12.225 -26.079 1.00 13.52 H new ATOM 0 HG3 LYS A 48 -7.022 13.449 -24.954 1.00 13.52 H new ATOM 0 HD2 LYS A 48 -6.123 15.229 -26.443 1.00 51.44 H new ATOM 0 HD3 LYS A 48 -5.557 14.007 -27.566 1.00 51.44 H new ATOM 0 HE2 LYS A 48 -7.685 13.501 -28.325 1.00 21.12 H new ATOM 0 HE3 LYS A 48 -8.445 13.872 -26.790 1.00 21.12 H new ATOM 0 HZ1 LYS A 48 -9.011 15.507 -28.465 1.00 63.23 H new ATOM 0 HZ2 LYS A 48 -8.108 16.236 -27.224 1.00 63.23 H new ATOM 0 HZ3 LYS A 48 -7.372 15.877 -28.712 1.00 63.23 H new ATOM 770 N GLY A 49 -6.560 10.659 -23.926 1.00 13.32 N ATOM 771 CA GLY A 49 -7.116 9.353 -24.227 1.00 31.13 C ATOM 772 C GLY A 49 -8.521 9.181 -23.684 1.00 1.42 C ATOM 773 O GLY A 49 -9.022 10.039 -22.957 1.00 44.11 O ATOM 0 H GLY A 49 -7.225 11.329 -23.540 1.00 13.32 H new ATOM 0 HA2 GLY A 49 -7.127 9.206 -25.307 1.00 31.13 H new ATOM 0 HA3 GLY A 49 -6.471 8.581 -23.807 1.00 31.13 H new ATOM 777 N ALA A 50 -9.159 8.071 -24.038 1.00 72.04 N ATOM 778 CA ALA A 50 -10.515 7.790 -23.582 1.00 25.14 C ATOM 779 C ALA A 50 -11.431 8.987 -23.812 1.00 22.11 C ATOM 780 O ALA A 50 -12.415 9.174 -23.098 1.00 72.12 O ATOM 781 CB ALA A 50 -10.506 7.405 -22.110 1.00 31.24 C ATOM 0 H ALA A 50 -8.759 7.351 -24.639 1.00 72.04 H new ATOM 0 HA ALA A 50 -10.902 6.953 -24.164 1.00 25.14 H new ATOM 0 HB1 ALA A 50 -11.525 7.198 -21.782 1.00 31.24 H new ATOM 0 HB2 ALA A 50 -9.892 6.516 -21.970 1.00 31.24 H new ATOM 0 HB3 ALA A 50 -10.095 8.226 -21.522 1.00 31.24 H new ATOM 787 N GLY A 51 -11.100 9.796 -24.814 1.00 5.02 N ATOM 788 CA GLY A 51 -11.903 10.965 -25.119 1.00 43.44 C ATOM 789 C GLY A 51 -11.763 12.054 -24.074 1.00 11.02 C ATOM 790 O GLY A 51 -12.737 12.722 -23.729 1.00 70.01 O ATOM 0 H GLY A 51 -10.290 9.662 -25.420 1.00 5.02 H new ATOM 0 HA2 GLY A 51 -11.610 11.360 -26.092 1.00 43.44 H new ATOM 0 HA3 GLY A 51 -12.950 10.672 -25.196 1.00 43.44 H new ATOM 794 N GLY A 52 -10.547 12.232 -23.566 1.00 13.51 N ATOM 795 CA GLY A 52 -10.306 13.247 -22.557 1.00 55.50 C ATOM 796 C GLY A 52 -8.835 13.396 -22.223 1.00 73.51 C ATOM 797 O GLY A 52 -7.985 12.739 -22.825 1.00 54.33 O ATOM 0 H GLY A 52 -9.725 11.692 -23.835 1.00 13.51 H new ATOM 0 HA2 GLY A 52 -10.694 14.203 -22.908 1.00 55.50 H new ATOM 0 HA3 GLY A 52 -10.857 12.993 -21.652 1.00 55.50 H new ATOM 801 N VAL A 53 -8.533 14.262 -21.261 1.00 64.42 N ATOM 802 CA VAL A 53 -7.154 14.495 -20.848 1.00 63.54 C ATOM 803 C VAL A 53 -6.918 14.010 -19.422 1.00 64.14 C ATOM 804 O VAL A 53 -7.772 14.171 -18.551 1.00 15.12 O ATOM 805 CB VAL A 53 -6.785 15.987 -20.939 1.00 53.32 C ATOM 806 CG1 VAL A 53 -6.537 16.389 -22.385 1.00 45.10 C ATOM 807 CG2 VAL A 53 -7.879 16.844 -20.320 1.00 1.23 C ATOM 0 H VAL A 53 -9.224 14.814 -20.753 1.00 64.42 H new ATOM 0 HA VAL A 53 -6.520 13.930 -21.531 1.00 63.54 H new ATOM 0 HB VAL A 53 -5.865 16.151 -20.378 1.00 53.32 H new ATOM 0 HG11 VAL A 53 -6.278 17.447 -22.429 1.00 45.10 H new ATOM 0 HG12 VAL A 53 -5.717 15.797 -22.792 1.00 45.10 H new ATOM 0 HG13 VAL A 53 -7.438 16.212 -22.972 1.00 45.10 H new ATOM 0 HG21 VAL A 53 -7.602 17.896 -20.393 1.00 1.23 H new ATOM 0 HG22 VAL A 53 -8.816 16.678 -20.852 1.00 1.23 H new ATOM 0 HG23 VAL A 53 -8.004 16.573 -19.272 1.00 1.23 H new ATOM 817 N HIS A 54 -5.752 13.415 -19.191 1.00 5.33 N ATOM 818 CA HIS A 54 -5.402 12.907 -17.869 1.00 4.41 C ATOM 819 C HIS A 54 -4.005 13.368 -17.462 1.00 52.11 C ATOM 820 O HIS A 54 -3.034 13.153 -18.188 1.00 31.45 O ATOM 821 CB HIS A 54 -5.473 11.380 -17.851 1.00 0.22 C ATOM 822 CG HIS A 54 -6.203 10.801 -19.023 1.00 64.25 C ATOM 823 ND1 HIS A 54 -5.628 9.904 -19.899 1.00 42.13 N ATOM 824 CD2 HIS A 54 -7.469 10.993 -19.462 1.00 3.53 C ATOM 825 CE1 HIS A 54 -6.508 9.572 -20.826 1.00 71.35 C ATOM 826 NE2 HIS A 54 -7.634 10.219 -20.583 1.00 63.34 N ATOM 0 H HIS A 54 -5.034 13.273 -19.901 1.00 5.33 H new ATOM 0 HA HIS A 54 -6.120 13.305 -17.152 1.00 4.41 H new ATOM 0 HB2 HIS A 54 -4.460 10.978 -17.829 1.00 0.22 H new ATOM 0 HB3 HIS A 54 -5.964 11.058 -16.933 1.00 0.22 H new ATOM 0 HD2 HIS A 54 -8.212 11.636 -19.013 1.00 3.53 H new ATOM 0 HE1 HIS A 54 -6.336 8.888 -21.644 1.00 71.35 H new ATOM 0 HE2 HIS A 54 -8.487 10.154 -21.138 1.00 63.34 H new ATOM 834 N ARG A 55 -3.913 14.003 -16.299 1.00 5.55 N ATOM 835 CA ARG A 55 -2.635 14.496 -15.797 1.00 15.24 C ATOM 836 C ARG A 55 -2.017 13.503 -14.817 1.00 2.41 C ATOM 837 O ARG A 55 -2.632 13.138 -13.815 1.00 72.24 O ATOM 838 CB ARG A 55 -2.820 15.853 -15.115 1.00 54.44 C ATOM 839 CG ARG A 55 -3.317 16.942 -16.052 1.00 42.52 C ATOM 840 CD ARG A 55 -3.193 18.320 -15.420 1.00 34.00 C ATOM 841 NE ARG A 55 -3.553 18.307 -14.005 1.00 21.25 N ATOM 842 CZ ARG A 55 -3.174 19.242 -13.141 1.00 42.52 C ATOM 843 NH1 ARG A 55 -2.428 20.261 -13.547 1.00 70.33 N ATOM 844 NH2 ARG A 55 -3.541 19.161 -11.869 1.00 32.02 N ATOM 0 H ARG A 55 -4.707 14.189 -15.686 1.00 5.55 H new ATOM 0 HA ARG A 55 -1.960 14.612 -16.645 1.00 15.24 H new ATOM 0 HB2 ARG A 55 -3.526 15.743 -14.292 1.00 54.44 H new ATOM 0 HB3 ARG A 55 -1.870 16.165 -14.681 1.00 54.44 H new ATOM 0 HG2 ARG A 55 -2.746 16.913 -16.980 1.00 42.52 H new ATOM 0 HG3 ARG A 55 -4.358 16.752 -16.312 1.00 42.52 H new ATOM 0 HD2 ARG A 55 -2.170 18.679 -15.530 1.00 34.00 H new ATOM 0 HD3 ARG A 55 -3.836 19.022 -15.951 1.00 34.00 H new ATOM 0 HE ARG A 55 -4.127 17.537 -13.661 1.00 21.25 H new ATOM 0 HH11 ARG A 55 -2.144 20.328 -14.524 1.00 70.33 H new ATOM 0 HH12 ARG A 55 -2.138 20.978 -12.882 1.00 70.33 H new ATOM 0 HH21 ARG A 55 -4.115 18.380 -11.553 1.00 32.02 H new ATOM 0 HH22 ARG A 55 -3.249 19.880 -11.207 1.00 32.02 H new ATOM 858 N VAL A 56 -0.796 13.070 -15.113 1.00 45.14 N ATOM 859 CA VAL A 56 -0.093 12.120 -14.259 1.00 41.21 C ATOM 860 C VAL A 56 1.397 12.435 -14.197 1.00 65.21 C ATOM 861 O VAL A 56 1.973 12.954 -15.153 1.00 51.25 O ATOM 862 CB VAL A 56 -0.281 10.674 -14.755 1.00 10.04 C ATOM 863 CG1 VAL A 56 -1.738 10.254 -14.636 1.00 52.24 C ATOM 864 CG2 VAL A 56 0.208 10.535 -16.188 1.00 70.34 C ATOM 0 H VAL A 56 -0.273 13.362 -15.938 1.00 45.14 H new ATOM 0 HA VAL A 56 -0.523 12.213 -13.262 1.00 41.21 H new ATOM 0 HB VAL A 56 0.315 10.012 -14.127 1.00 10.04 H new ATOM 0 HG11 VAL A 56 -1.852 9.230 -14.991 1.00 52.24 H new ATOM 0 HG12 VAL A 56 -2.050 10.313 -13.593 1.00 52.24 H new ATOM 0 HG13 VAL A 56 -2.358 10.918 -15.238 1.00 52.24 H new ATOM 0 HG21 VAL A 56 0.068 9.507 -16.522 1.00 70.34 H new ATOM 0 HG22 VAL A 56 -0.359 11.207 -16.833 1.00 70.34 H new ATOM 0 HG23 VAL A 56 1.266 10.791 -16.238 1.00 70.34 H new ATOM 874 N ARG A 57 2.017 12.116 -13.065 1.00 43.25 N ATOM 875 CA ARG A 57 3.441 12.365 -12.878 1.00 45.51 C ATOM 876 C ARG A 57 4.177 11.077 -12.522 1.00 33.23 C ATOM 877 O ARG A 57 3.567 10.014 -12.404 1.00 32.12 O ATOM 878 CB ARG A 57 3.658 13.409 -11.781 1.00 2.03 C ATOM 879 CG ARG A 57 2.806 13.178 -10.543 1.00 63.44 C ATOM 880 CD ARG A 57 3.526 13.624 -9.280 1.00 72.32 C ATOM 881 NE ARG A 57 2.842 13.171 -8.072 1.00 13.32 N ATOM 882 CZ ARG A 57 3.314 13.362 -6.845 1.00 12.01 C ATOM 883 NH1 ARG A 57 4.465 13.994 -6.665 1.00 25.21 N ATOM 884 NH2 ARG A 57 2.633 12.921 -5.795 1.00 21.12 N ATOM 0 H ARG A 57 1.555 11.685 -12.264 1.00 43.25 H new ATOM 0 HA ARG A 57 3.844 12.745 -13.817 1.00 45.51 H new ATOM 0 HB2 ARG A 57 4.709 13.408 -11.493 1.00 2.03 H new ATOM 0 HB3 ARG A 57 3.438 14.398 -12.184 1.00 2.03 H new ATOM 0 HG2 ARG A 57 1.867 13.723 -10.639 1.00 63.44 H new ATOM 0 HG3 ARG A 57 2.554 12.120 -10.465 1.00 63.44 H new ATOM 0 HD2 ARG A 57 4.545 13.236 -9.287 1.00 72.32 H new ATOM 0 HD3 ARG A 57 3.599 14.711 -9.269 1.00 72.32 H new ATOM 0 HE ARG A 57 1.953 12.681 -8.176 1.00 13.32 H new ATOM 0 HH11 ARG A 57 4.991 14.335 -7.470 1.00 25.21 H new ATOM 0 HH12 ARG A 57 4.825 14.139 -5.722 1.00 25.21 H new ATOM 0 HH21 ARG A 57 1.746 12.435 -5.930 1.00 21.12 H new ATOM 0 HH22 ARG A 57 2.996 13.068 -4.853 1.00 21.12 H new ATOM 898 N VAL A 58 5.491 11.179 -12.352 1.00 62.10 N ATOM 899 CA VAL A 58 6.310 10.022 -12.009 1.00 11.43 C ATOM 900 C VAL A 58 5.708 9.250 -10.840 1.00 10.41 C ATOM 901 O VAL A 58 5.578 9.777 -9.736 1.00 23.24 O ATOM 902 CB VAL A 58 7.748 10.440 -11.648 1.00 32.12 C ATOM 903 CG1 VAL A 58 7.739 11.495 -10.552 1.00 54.24 C ATOM 904 CG2 VAL A 58 8.564 9.228 -11.225 1.00 32.32 C ATOM 0 H VAL A 58 6.012 12.051 -12.446 1.00 62.10 H new ATOM 0 HA VAL A 58 6.336 9.380 -12.890 1.00 11.43 H new ATOM 0 HB VAL A 58 8.214 10.874 -12.533 1.00 32.12 H new ATOM 0 HG11 VAL A 58 8.764 11.778 -10.311 1.00 54.24 H new ATOM 0 HG12 VAL A 58 7.192 12.373 -10.896 1.00 54.24 H new ATOM 0 HG13 VAL A 58 7.255 11.092 -9.663 1.00 54.24 H new ATOM 0 HG21 VAL A 58 9.577 9.541 -10.973 1.00 32.32 H new ATOM 0 HG22 VAL A 58 8.101 8.764 -10.354 1.00 32.32 H new ATOM 0 HG23 VAL A 58 8.599 8.509 -12.044 1.00 32.32 H new ATOM 914 N GLY A 59 5.342 7.997 -11.091 1.00 53.13 N ATOM 915 CA GLY A 59 4.758 7.172 -10.050 1.00 72.10 C ATOM 916 C GLY A 59 3.329 6.773 -10.360 1.00 33.43 C ATOM 917 O GLY A 59 2.903 5.663 -10.037 1.00 43.25 O ATOM 0 H GLY A 59 5.440 7.538 -11.997 1.00 53.13 H new ATOM 0 HA2 GLY A 59 5.363 6.274 -9.920 1.00 72.10 H new ATOM 0 HA3 GLY A 59 4.784 7.713 -9.104 1.00 72.10 H new ATOM 921 N ASP A 60 2.585 7.679 -10.985 1.00 24.20 N ATOM 922 CA ASP A 60 1.195 7.416 -11.338 1.00 20.32 C ATOM 923 C ASP A 60 1.095 6.261 -12.329 1.00 62.43 C ATOM 924 O ASP A 60 2.091 5.858 -12.931 1.00 40.01 O ATOM 925 CB ASP A 60 0.551 8.670 -11.930 1.00 72.13 C ATOM 926 CG ASP A 60 0.160 9.678 -10.867 1.00 64.31 C ATOM 927 OD1 ASP A 60 0.862 9.755 -9.837 1.00 12.44 O ATOM 928 OD2 ASP A 60 -0.846 10.389 -11.066 1.00 11.31 O ATOM 0 H ASP A 60 2.922 8.602 -11.258 1.00 24.20 H new ATOM 0 HA ASP A 60 0.661 7.138 -10.429 1.00 20.32 H new ATOM 0 HB2 ASP A 60 1.245 9.135 -12.630 1.00 72.13 H new ATOM 0 HB3 ASP A 60 -0.334 8.386 -12.500 1.00 72.13 H new ATOM 933 N TYR A 61 -0.112 5.731 -12.493 1.00 40.43 N ATOM 934 CA TYR A 61 -0.341 4.620 -13.409 1.00 13.10 C ATOM 935 C TYR A 61 -1.523 4.908 -14.330 1.00 43.34 C ATOM 936 O TYR A 61 -2.452 5.629 -13.962 1.00 65.31 O ATOM 937 CB TYR A 61 -0.594 3.331 -12.626 1.00 64.51 C ATOM 938 CG TYR A 61 0.406 3.090 -11.517 1.00 72.13 C ATOM 939 CD1 TYR A 61 0.242 3.676 -10.268 1.00 43.14 C ATOM 940 CD2 TYR A 61 1.513 2.275 -11.719 1.00 4.34 C ATOM 941 CE1 TYR A 61 1.153 3.460 -9.253 1.00 24.41 C ATOM 942 CE2 TYR A 61 2.429 2.052 -10.708 1.00 71.04 C ATOM 943 CZ TYR A 61 2.245 2.647 -9.478 1.00 32.34 C ATOM 944 OH TYR A 61 3.154 2.427 -8.468 1.00 51.41 O ATOM 0 H TYR A 61 -0.947 6.053 -12.003 1.00 40.43 H new ATOM 0 HA TYR A 61 0.552 4.497 -14.021 1.00 13.10 H new ATOM 0 HB2 TYR A 61 -1.596 3.366 -12.199 1.00 64.51 H new ATOM 0 HB3 TYR A 61 -0.570 2.487 -13.315 1.00 64.51 H new ATOM 0 HD1 TYR A 61 -0.613 4.311 -10.088 1.00 43.14 H new ATOM 0 HD2 TYR A 61 1.660 1.808 -12.682 1.00 4.34 H new ATOM 0 HE1 TYR A 61 1.012 3.925 -8.288 1.00 24.41 H new ATOM 0 HE2 TYR A 61 3.284 1.415 -10.881 1.00 71.04 H new ATOM 0 HH TYR A 61 3.862 1.831 -8.790 1.00 51.41 H new ATOM 954 N LEU A 62 -1.481 4.340 -15.530 1.00 44.24 N ATOM 955 CA LEU A 62 -2.547 4.534 -16.507 1.00 13.24 C ATOM 956 C LEU A 62 -2.550 3.413 -17.541 1.00 23.25 C ATOM 957 O LEU A 62 -1.512 2.817 -17.827 1.00 75.41 O ATOM 958 CB LEU A 62 -2.387 5.886 -17.204 1.00 54.21 C ATOM 959 CG LEU A 62 -3.634 6.771 -17.247 1.00 61.21 C ATOM 960 CD1 LEU A 62 -3.690 7.674 -16.025 1.00 32.44 C ATOM 961 CD2 LEU A 62 -3.657 7.597 -18.524 1.00 54.55 C ATOM 0 H LEU A 62 -0.720 3.741 -15.850 1.00 44.24 H new ATOM 0 HA LEU A 62 -3.499 4.516 -15.977 1.00 13.24 H new ATOM 0 HB2 LEU A 62 -1.591 6.438 -16.704 1.00 54.21 H new ATOM 0 HB3 LEU A 62 -2.057 5.708 -18.227 1.00 54.21 H new ATOM 0 HG LEU A 62 -4.514 6.127 -17.238 1.00 61.21 H new ATOM 0 HD11 LEU A 62 -4.584 8.296 -16.073 1.00 32.44 H new ATOM 0 HD12 LEU A 62 -3.721 7.063 -15.123 1.00 32.44 H new ATOM 0 HD13 LEU A 62 -2.806 8.311 -16.002 1.00 32.44 H new ATOM 0 HD21 LEU A 62 -4.551 8.221 -18.538 1.00 54.55 H new ATOM 0 HD22 LEU A 62 -2.771 8.231 -18.563 1.00 54.55 H new ATOM 0 HD23 LEU A 62 -3.665 6.932 -19.387 1.00 54.55 H new ATOM 973 N GLY A 63 -3.723 3.132 -18.099 1.00 52.33 N ATOM 974 CA GLY A 63 -3.838 2.085 -19.097 1.00 33.30 C ATOM 975 C GLY A 63 -4.065 0.719 -18.480 1.00 73.10 C ATOM 976 O GLY A 63 -3.917 0.544 -17.270 1.00 51.44 O ATOM 0 H GLY A 63 -4.596 3.611 -17.878 1.00 52.33 H new ATOM 0 HA2 GLY A 63 -4.663 2.318 -19.770 1.00 33.30 H new ATOM 0 HA3 GLY A 63 -2.931 2.061 -19.701 1.00 33.30 H new ATOM 980 N ARG A 64 -4.427 -0.252 -19.312 1.00 54.13 N ATOM 981 CA ARG A 64 -4.678 -1.608 -18.841 1.00 33.41 C ATOM 982 C ARG A 64 -3.368 -2.335 -18.553 1.00 63.13 C ATOM 983 O ARG A 64 -3.350 -3.353 -17.863 1.00 23.21 O ATOM 984 CB ARG A 64 -5.490 -2.389 -19.876 1.00 71.02 C ATOM 985 CG ARG A 64 -6.990 -2.345 -19.633 1.00 41.35 C ATOM 986 CD ARG A 64 -7.751 -3.103 -20.710 1.00 10.41 C ATOM 987 NE ARG A 64 -7.324 -4.496 -20.804 1.00 31.10 N ATOM 988 CZ ARG A 64 -7.791 -5.348 -21.709 1.00 72.35 C ATOM 989 NH1 ARG A 64 -8.695 -4.951 -22.594 1.00 72.13 N ATOM 990 NH2 ARG A 64 -7.354 -6.601 -21.731 1.00 43.24 N ATOM 0 H ARG A 64 -4.553 -0.124 -20.316 1.00 54.13 H new ATOM 0 HA ARG A 64 -5.249 -1.543 -17.915 1.00 33.41 H new ATOM 0 HB2 ARG A 64 -5.279 -1.989 -20.868 1.00 71.02 H new ATOM 0 HB3 ARG A 64 -5.161 -3.428 -19.875 1.00 71.02 H new ATOM 0 HG2 ARG A 64 -7.214 -2.775 -18.657 1.00 41.35 H new ATOM 0 HG3 ARG A 64 -7.326 -1.308 -19.610 1.00 41.35 H new ATOM 0 HD2 ARG A 64 -8.819 -3.065 -20.494 1.00 10.41 H new ATOM 0 HD3 ARG A 64 -7.602 -2.613 -21.672 1.00 10.41 H new ATOM 0 HE ARG A 64 -6.629 -4.833 -20.138 1.00 31.10 H new ATOM 0 HH11 ARG A 64 -9.033 -3.989 -22.581 1.00 72.13 H new ATOM 0 HH12 ARG A 64 -9.052 -5.608 -23.288 1.00 72.13 H new ATOM 0 HH21 ARG A 64 -6.659 -6.911 -21.052 1.00 43.24 H new ATOM 0 HH22 ARG A 64 -7.714 -7.254 -22.427 1.00 43.24 H new ATOM 1004 N ASN A 65 -2.273 -1.804 -19.089 1.00 30.45 N ATOM 1005 CA ASN A 65 -0.958 -2.403 -18.890 1.00 60.13 C ATOM 1006 C ASN A 65 -0.257 -1.788 -17.683 1.00 63.00 C ATOM 1007 O ASN A 65 0.961 -1.898 -17.537 1.00 32.23 O ATOM 1008 CB ASN A 65 -0.097 -2.220 -20.142 1.00 74.01 C ATOM 1009 CG ASN A 65 -0.756 -2.788 -21.385 1.00 10.44 C ATOM 1010 OD1 ASN A 65 -0.868 -2.110 -22.406 1.00 13.40 O ATOM 1011 ND2 ASN A 65 -1.196 -4.038 -21.302 1.00 64.02 N ATOM 0 H ASN A 65 -2.270 -0.961 -19.664 1.00 30.45 H new ATOM 0 HA ASN A 65 -1.096 -3.468 -18.704 1.00 60.13 H new ATOM 0 HB2 ASN A 65 0.101 -1.159 -20.292 1.00 74.01 H new ATOM 0 HB3 ASN A 65 0.867 -2.706 -19.991 1.00 74.01 H new ATOM 0 HD21 ASN A 65 -1.648 -4.474 -22.106 1.00 64.02 H new ATOM 0 HD22 ASN A 65 -1.081 -4.562 -20.435 1.00 64.02 H new ATOM 1018 N ASP A 66 -1.033 -1.141 -16.821 1.00 32.21 N ATOM 1019 CA ASP A 66 -0.488 -0.510 -15.625 1.00 45.20 C ATOM 1020 C ASP A 66 0.676 0.411 -15.979 1.00 63.43 C ATOM 1021 O ASP A 66 1.707 0.412 -15.308 1.00 30.54 O ATOM 1022 CB ASP A 66 -0.028 -1.573 -14.626 1.00 3.41 C ATOM 1023 CG ASP A 66 0.353 -0.979 -13.284 1.00 21.33 C ATOM 1024 OD1 ASP A 66 -0.474 -0.245 -12.703 1.00 20.30 O ATOM 1025 OD2 ASP A 66 1.478 -1.250 -12.814 1.00 12.43 O ATOM 0 H ASP A 66 -2.042 -1.040 -16.928 1.00 32.21 H new ATOM 0 HA ASP A 66 -1.276 0.089 -15.169 1.00 45.20 H new ATOM 0 HB2 ASP A 66 -0.825 -2.303 -14.484 1.00 3.41 H new ATOM 0 HB3 ASP A 66 0.826 -2.110 -15.038 1.00 3.41 H new ATOM 1030 N GLY A 67 0.504 1.193 -17.041 1.00 30.23 N ATOM 1031 CA GLY A 67 1.548 2.106 -17.467 1.00 24.04 C ATOM 1032 C GLY A 67 1.985 3.044 -16.359 1.00 40.53 C ATOM 1033 O GLY A 67 1.317 4.041 -16.080 1.00 25.54 O ATOM 0 H GLY A 67 -0.340 1.210 -17.614 1.00 30.23 H new ATOM 0 HA2 GLY A 67 2.408 1.533 -17.814 1.00 24.04 H new ATOM 0 HA3 GLY A 67 1.191 2.691 -18.315 1.00 24.04 H new ATOM 1037 N LYS A 68 3.109 2.727 -15.725 1.00 75.41 N ATOM 1038 CA LYS A 68 3.635 3.548 -14.641 1.00 74.22 C ATOM 1039 C LYS A 68 4.612 4.591 -15.174 1.00 31.21 C ATOM 1040 O LYS A 68 5.579 4.257 -15.859 1.00 54.34 O ATOM 1041 CB LYS A 68 4.329 2.669 -13.598 1.00 74.34 C ATOM 1042 CG LYS A 68 4.906 3.450 -12.431 1.00 41.52 C ATOM 1043 CD LYS A 68 5.926 2.630 -11.660 1.00 64.55 C ATOM 1044 CE LYS A 68 7.204 2.433 -12.462 1.00 73.44 C ATOM 1045 NZ LYS A 68 8.252 1.731 -11.672 1.00 24.24 N ATOM 0 H LYS A 68 3.674 1.906 -15.944 1.00 75.41 H new ATOM 0 HA LYS A 68 2.798 4.066 -14.172 1.00 74.22 H new ATOM 0 HB2 LYS A 68 3.615 1.939 -13.218 1.00 74.34 H new ATOM 0 HB3 LYS A 68 5.130 2.110 -14.082 1.00 74.34 H new ATOM 0 HG2 LYS A 68 5.375 4.362 -12.799 1.00 41.52 H new ATOM 0 HG3 LYS A 68 4.101 3.753 -11.762 1.00 41.52 H new ATOM 0 HD2 LYS A 68 6.159 3.128 -10.719 1.00 64.55 H new ATOM 0 HD3 LYS A 68 5.499 1.659 -11.409 1.00 64.55 H new ATOM 0 HE2 LYS A 68 6.983 1.860 -13.362 1.00 73.44 H new ATOM 0 HE3 LYS A 68 7.582 3.402 -12.786 1.00 73.44 H new ATOM 0 HZ1 LYS A 68 9.107 1.616 -12.254 1.00 24.24 H new ATOM 0 HZ2 LYS A 68 8.482 2.290 -10.826 1.00 24.24 H new ATOM 0 HZ3 LYS A 68 7.901 0.795 -11.384 1.00 24.24 H new ATOM 1059 N VAL A 69 4.354 5.855 -14.853 1.00 65.21 N ATOM 1060 CA VAL A 69 5.213 6.946 -15.297 1.00 40.42 C ATOM 1061 C VAL A 69 6.575 6.887 -14.614 1.00 14.51 C ATOM 1062 O VAL A 69 6.664 6.844 -13.387 1.00 21.42 O ATOM 1063 CB VAL A 69 4.569 8.317 -15.017 1.00 32.05 C ATOM 1064 CG1 VAL A 69 5.482 9.441 -15.480 1.00 4.53 C ATOM 1065 CG2 VAL A 69 3.208 8.413 -15.689 1.00 51.33 C ATOM 0 H VAL A 69 3.557 6.148 -14.287 1.00 65.21 H new ATOM 0 HA VAL A 69 5.344 6.827 -16.373 1.00 40.42 H new ATOM 0 HB VAL A 69 4.426 8.419 -13.941 1.00 32.05 H new ATOM 0 HG11 VAL A 69 5.010 10.402 -15.274 1.00 4.53 H new ATOM 0 HG12 VAL A 69 6.431 9.381 -14.948 1.00 4.53 H new ATOM 0 HG13 VAL A 69 5.660 9.347 -16.551 1.00 4.53 H new ATOM 0 HG21 VAL A 69 2.767 9.388 -15.481 1.00 51.33 H new ATOM 0 HG22 VAL A 69 3.324 8.290 -16.766 1.00 51.33 H new ATOM 0 HG23 VAL A 69 2.555 7.630 -15.303 1.00 51.33 H new ATOM 1075 N VAL A 70 7.634 6.887 -15.417 1.00 0.43 N ATOM 1076 CA VAL A 70 8.993 6.836 -14.890 1.00 35.32 C ATOM 1077 C VAL A 70 9.794 8.060 -15.317 1.00 25.04 C ATOM 1078 O VAL A 70 10.687 8.511 -14.600 1.00 13.41 O ATOM 1079 CB VAL A 70 9.728 5.565 -15.357 1.00 52.51 C ATOM 1080 CG1 VAL A 70 8.941 4.321 -14.974 1.00 51.41 C ATOM 1081 CG2 VAL A 70 9.970 5.612 -16.858 1.00 53.22 C ATOM 0 H VAL A 70 7.577 6.922 -16.435 1.00 0.43 H new ATOM 0 HA VAL A 70 8.911 6.821 -13.803 1.00 35.32 H new ATOM 0 HB VAL A 70 10.695 5.521 -14.857 1.00 52.51 H new ATOM 0 HG11 VAL A 70 9.476 3.434 -15.312 1.00 51.41 H new ATOM 0 HG12 VAL A 70 8.824 4.283 -13.891 1.00 51.41 H new ATOM 0 HG13 VAL A 70 7.958 4.353 -15.444 1.00 51.41 H new ATOM 0 HG21 VAL A 70 10.490 4.707 -17.171 1.00 53.22 H new ATOM 0 HG22 VAL A 70 9.015 5.680 -17.379 1.00 53.22 H new ATOM 0 HG23 VAL A 70 10.579 6.483 -17.101 1.00 53.22 H new ATOM 1091 N GLY A 71 9.470 8.594 -16.490 1.00 73.02 N ATOM 1092 CA GLY A 71 10.169 9.762 -16.993 1.00 1.02 C ATOM 1093 C GLY A 71 9.240 10.743 -17.680 1.00 20.00 C ATOM 1094 O GLY A 71 8.302 10.341 -18.368 1.00 74.04 O ATOM 0 H GLY A 71 8.735 8.238 -17.102 1.00 73.02 H new ATOM 0 HA2 GLY A 71 10.674 10.263 -16.167 1.00 1.02 H new ATOM 0 HA3 GLY A 71 10.941 9.445 -17.694 1.00 1.02 H new ATOM 1098 N ILE A 72 9.500 12.032 -17.492 1.00 52.41 N ATOM 1099 CA ILE A 72 8.679 13.073 -18.099 1.00 20.11 C ATOM 1100 C ILE A 72 9.545 14.145 -18.753 1.00 33.43 C ATOM 1101 O ILE A 72 10.171 14.954 -18.069 1.00 30.14 O ATOM 1102 CB ILE A 72 7.755 13.738 -17.062 1.00 30.45 C ATOM 1103 CG1 ILE A 72 6.806 12.703 -16.454 1.00 70.51 C ATOM 1104 CG2 ILE A 72 6.970 14.873 -17.702 1.00 31.42 C ATOM 1105 CD1 ILE A 72 6.152 13.162 -15.170 1.00 3.32 C ATOM 0 H ILE A 72 10.272 12.381 -16.924 1.00 52.41 H new ATOM 0 HA ILE A 72 8.068 12.588 -18.860 1.00 20.11 H new ATOM 0 HB ILE A 72 8.370 14.153 -16.263 1.00 30.45 H new ATOM 0 HG12 ILE A 72 6.030 12.462 -17.181 1.00 70.51 H new ATOM 0 HG13 ILE A 72 7.359 11.784 -16.262 1.00 70.51 H new ATOM 0 HG21 ILE A 72 6.322 15.333 -16.956 1.00 31.42 H new ATOM 0 HG22 ILE A 72 7.662 15.620 -18.091 1.00 31.42 H new ATOM 0 HG23 ILE A 72 6.363 14.481 -18.518 1.00 31.42 H new ATOM 0 HD11 ILE A 72 5.493 12.378 -14.797 1.00 3.32 H new ATOM 0 HD12 ILE A 72 6.920 13.375 -14.427 1.00 3.32 H new ATOM 0 HD13 ILE A 72 5.571 14.064 -15.360 1.00 3.32 H new ATOM 1117 N SER A 73 9.574 14.145 -20.082 1.00 35.24 N ATOM 1118 CA SER A 73 10.364 15.116 -20.829 1.00 11.11 C ATOM 1119 C SER A 73 9.499 16.290 -21.277 1.00 42.34 C ATOM 1120 O SER A 73 8.373 16.458 -20.812 1.00 13.14 O ATOM 1121 CB SER A 73 11.011 14.451 -22.045 1.00 62.10 C ATOM 1122 OG SER A 73 12.029 15.271 -22.593 1.00 70.32 O ATOM 0 H SER A 73 9.059 13.483 -20.663 1.00 35.24 H new ATOM 0 HA SER A 73 11.147 15.494 -20.171 1.00 11.11 H new ATOM 0 HB2 SER A 73 11.432 13.488 -21.756 1.00 62.10 H new ATOM 0 HB3 SER A 73 10.252 14.253 -22.802 1.00 62.10 H new ATOM 0 HG SER A 73 12.846 14.743 -22.713 1.00 70.32 H new ATOM 1128 N GLU A 74 10.036 17.100 -22.185 1.00 70.20 N ATOM 1129 CA GLU A 74 9.314 18.259 -22.696 1.00 70.01 C ATOM 1130 C GLU A 74 8.577 17.915 -23.987 1.00 50.13 C ATOM 1131 O GLU A 74 7.678 18.639 -24.413 1.00 61.15 O ATOM 1132 CB GLU A 74 10.279 19.421 -22.941 1.00 15.45 C ATOM 1133 CG GLU A 74 11.236 19.185 -24.097 1.00 15.31 C ATOM 1134 CD GLU A 74 12.314 20.247 -24.187 1.00 65.12 C ATOM 1135 OE1 GLU A 74 13.231 20.234 -23.339 1.00 61.10 O ATOM 1136 OE2 GLU A 74 12.242 21.090 -25.105 1.00 44.31 O ATOM 0 H GLU A 74 10.968 16.975 -22.581 1.00 70.20 H new ATOM 0 HA GLU A 74 8.580 18.557 -21.947 1.00 70.01 H new ATOM 0 HB2 GLU A 74 9.703 20.325 -23.136 1.00 15.45 H new ATOM 0 HB3 GLU A 74 10.856 19.600 -22.034 1.00 15.45 H new ATOM 0 HG2 GLU A 74 11.703 18.207 -23.983 1.00 15.31 H new ATOM 0 HG3 GLU A 74 10.674 19.163 -25.031 1.00 15.31 H new ATOM 1143 N GLY A 75 8.966 16.804 -24.606 1.00 13.10 N ATOM 1144 CA GLY A 75 8.333 16.383 -25.842 1.00 51.43 C ATOM 1145 C GLY A 75 8.079 14.890 -25.884 1.00 71.45 C ATOM 1146 O GLY A 75 7.770 14.334 -26.939 1.00 32.02 O ATOM 0 H GLY A 75 9.708 16.188 -24.273 1.00 13.10 H new ATOM 0 HA2 GLY A 75 7.388 16.913 -25.961 1.00 51.43 H new ATOM 0 HA3 GLY A 75 8.965 16.665 -26.684 1.00 51.43 H new ATOM 1150 N LYS A 76 8.211 14.236 -24.735 1.00 53.02 N ATOM 1151 CA LYS A 76 7.994 12.797 -24.644 1.00 10.15 C ATOM 1152 C LYS A 76 7.862 12.358 -23.189 1.00 13.34 C ATOM 1153 O LYS A 76 8.434 12.976 -22.290 1.00 54.31 O ATOM 1154 CB LYS A 76 9.146 12.043 -25.312 1.00 1.41 C ATOM 1155 CG LYS A 76 10.490 12.269 -24.642 1.00 4.21 C ATOM 1156 CD LYS A 76 11.217 13.463 -25.239 1.00 24.43 C ATOM 1157 CE LYS A 76 12.137 13.043 -26.375 1.00 41.53 C ATOM 1158 NZ LYS A 76 13.374 12.382 -25.873 1.00 55.53 N ATOM 0 H LYS A 76 8.467 14.680 -23.853 1.00 53.02 H new ATOM 0 HA LYS A 76 7.065 12.562 -25.163 1.00 10.15 H new ATOM 0 HB2 LYS A 76 8.922 10.976 -25.307 1.00 1.41 H new ATOM 0 HB3 LYS A 76 9.213 12.350 -26.356 1.00 1.41 H new ATOM 0 HG2 LYS A 76 10.343 12.428 -23.574 1.00 4.21 H new ATOM 0 HG3 LYS A 76 11.106 11.376 -24.749 1.00 4.21 H new ATOM 0 HD2 LYS A 76 10.490 14.187 -25.607 1.00 24.43 H new ATOM 0 HD3 LYS A 76 11.799 13.961 -24.463 1.00 24.43 H new ATOM 0 HE2 LYS A 76 11.606 12.362 -27.039 1.00 41.53 H new ATOM 0 HE3 LYS A 76 12.407 13.918 -26.966 1.00 41.53 H new ATOM 0 HZ1 LYS A 76 14.054 12.279 -26.653 1.00 55.53 H new ATOM 0 HZ2 LYS A 76 13.796 12.962 -25.120 1.00 55.53 H new ATOM 0 HZ3 LYS A 76 13.137 11.443 -25.495 1.00 55.53 H new ATOM 1172 N ILE A 77 7.106 11.289 -22.964 1.00 63.54 N ATOM 1173 CA ILE A 77 6.902 10.767 -21.619 1.00 22.42 C ATOM 1174 C ILE A 77 7.256 9.285 -21.544 1.00 50.23 C ATOM 1175 O ILE A 77 6.633 8.454 -22.205 1.00 31.44 O ATOM 1176 CB ILE A 77 5.446 10.959 -21.155 1.00 42.12 C ATOM 1177 CG1 ILE A 77 4.986 12.393 -21.428 1.00 63.45 C ATOM 1178 CG2 ILE A 77 5.313 10.627 -19.677 1.00 31.05 C ATOM 1179 CD1 ILE A 77 5.840 13.441 -20.749 1.00 75.32 C ATOM 0 H ILE A 77 6.624 10.767 -23.696 1.00 63.54 H new ATOM 0 HA ILE A 77 7.562 11.330 -20.959 1.00 22.42 H new ATOM 0 HB ILE A 77 4.808 10.279 -21.719 1.00 42.12 H new ATOM 0 HG12 ILE A 77 4.994 12.570 -22.503 1.00 63.45 H new ATOM 0 HG13 ILE A 77 3.954 12.505 -21.095 1.00 63.45 H new ATOM 0 HG21 ILE A 77 4.278 10.768 -19.364 1.00 31.05 H new ATOM 0 HG22 ILE A 77 5.605 9.590 -19.509 1.00 31.05 H new ATOM 0 HG23 ILE A 77 5.960 11.285 -19.097 1.00 31.05 H new ATOM 0 HD11 ILE A 77 5.456 14.433 -20.986 1.00 75.32 H new ATOM 0 HD12 ILE A 77 5.812 13.290 -19.670 1.00 75.32 H new ATOM 0 HD13 ILE A 77 6.868 13.356 -21.101 1.00 75.32 H new ATOM 1191 N ASP A 78 8.259 8.962 -20.735 1.00 14.21 N ATOM 1192 CA ASP A 78 8.694 7.580 -20.571 1.00 41.10 C ATOM 1193 C ASP A 78 7.903 6.889 -19.465 1.00 22.32 C ATOM 1194 O ASP A 78 7.841 7.374 -18.335 1.00 45.01 O ATOM 1195 CB ASP A 78 10.190 7.528 -20.255 1.00 14.23 C ATOM 1196 CG ASP A 78 11.048 7.864 -21.458 1.00 71.55 C ATOM 1197 OD1 ASP A 78 10.903 8.980 -21.999 1.00 11.45 O ATOM 1198 OD2 ASP A 78 11.865 7.009 -21.860 1.00 44.51 O ATOM 0 H ASP A 78 8.786 9.638 -20.183 1.00 14.21 H new ATOM 0 HA ASP A 78 8.510 7.053 -21.507 1.00 41.10 H new ATOM 0 HB2 ASP A 78 10.412 8.226 -19.448 1.00 14.23 H new ATOM 0 HB3 ASP A 78 10.448 6.532 -19.895 1.00 14.23 H new ATOM 1203 N VAL A 79 7.299 5.753 -19.798 1.00 34.32 N ATOM 1204 CA VAL A 79 6.511 4.994 -18.833 1.00 44.20 C ATOM 1205 C VAL A 79 6.714 3.494 -19.016 1.00 41.42 C ATOM 1206 O VAL A 79 7.050 3.032 -20.107 1.00 3.01 O ATOM 1207 CB VAL A 79 5.010 5.317 -18.956 1.00 4.12 C ATOM 1208 CG1 VAL A 79 4.781 6.820 -18.896 1.00 74.54 C ATOM 1209 CG2 VAL A 79 4.444 4.733 -20.241 1.00 14.10 C ATOM 0 H VAL A 79 7.340 5.338 -20.729 1.00 34.32 H new ATOM 0 HA VAL A 79 6.858 5.286 -17.842 1.00 44.20 H new ATOM 0 HB VAL A 79 4.487 4.861 -18.116 1.00 4.12 H new ATOM 0 HG11 VAL A 79 3.715 7.029 -18.984 1.00 74.54 H new ATOM 0 HG12 VAL A 79 5.149 7.206 -17.946 1.00 74.54 H new ATOM 0 HG13 VAL A 79 5.315 7.302 -19.715 1.00 74.54 H new ATOM 0 HG21 VAL A 79 3.383 4.970 -20.312 1.00 14.10 H new ATOM 0 HG22 VAL A 79 4.969 5.158 -21.096 1.00 14.10 H new ATOM 0 HG23 VAL A 79 4.574 3.651 -20.237 1.00 14.10 H new ATOM 1219 N ILE A 80 6.507 2.740 -17.943 1.00 30.54 N ATOM 1220 CA ILE A 80 6.665 1.291 -17.986 1.00 5.24 C ATOM 1221 C ILE A 80 5.320 0.596 -18.164 1.00 40.00 C ATOM 1222 O ILE A 80 4.444 0.689 -17.305 1.00 51.20 O ATOM 1223 CB ILE A 80 7.339 0.760 -16.706 1.00 42.44 C ATOM 1224 CG1 ILE A 80 8.860 0.897 -16.810 1.00 54.13 C ATOM 1225 CG2 ILE A 80 6.948 -0.690 -16.464 1.00 54.42 C ATOM 1226 CD1 ILE A 80 9.488 -0.074 -17.785 1.00 24.24 C ATOM 0 H ILE A 80 6.230 3.107 -17.033 1.00 30.54 H new ATOM 0 HA ILE A 80 7.302 1.069 -18.842 1.00 5.24 H new ATOM 0 HB ILE A 80 6.996 1.355 -15.859 1.00 42.44 H new ATOM 0 HG12 ILE A 80 9.105 1.915 -17.114 1.00 54.13 H new ATOM 0 HG13 ILE A 80 9.299 0.744 -15.824 1.00 54.13 H new ATOM 0 HG21 ILE A 80 7.432 -1.051 -15.556 1.00 54.42 H new ATOM 0 HG22 ILE A 80 5.866 -0.761 -16.351 1.00 54.42 H new ATOM 0 HG23 ILE A 80 7.265 -1.299 -17.311 1.00 54.42 H new ATOM 0 HD11 ILE A 80 10.567 0.080 -17.808 1.00 24.24 H new ATOM 0 HD12 ILE A 80 9.273 -1.095 -17.471 1.00 24.24 H new ATOM 0 HD13 ILE A 80 9.077 0.093 -18.781 1.00 24.24 H new ATOM 1238 N GLU A 81 5.165 -0.102 -19.285 1.00 33.13 N ATOM 1239 CA GLU A 81 3.926 -0.814 -19.575 1.00 33.13 C ATOM 1240 C GLU A 81 4.121 -2.322 -19.442 1.00 13.24 C ATOM 1241 O GLU A 81 5.113 -2.874 -19.918 1.00 33.31 O ATOM 1242 CB GLU A 81 3.434 -0.475 -20.984 1.00 3.15 C ATOM 1243 CG GLU A 81 3.380 1.017 -21.266 1.00 51.03 C ATOM 1244 CD GLU A 81 4.490 1.476 -22.191 1.00 4.50 C ATOM 1245 OE1 GLU A 81 4.648 0.876 -23.274 1.00 70.32 O ATOM 1246 OE2 GLU A 81 5.202 2.438 -21.831 1.00 31.44 O ATOM 0 H GLU A 81 5.881 -0.189 -20.006 1.00 33.13 H new ATOM 0 HA GLU A 81 3.177 -0.496 -18.850 1.00 33.13 H new ATOM 0 HB2 GLU A 81 4.090 -0.951 -21.713 1.00 3.15 H new ATOM 0 HB3 GLU A 81 2.440 -0.899 -21.125 1.00 3.15 H new ATOM 0 HG2 GLU A 81 2.416 1.264 -21.711 1.00 51.03 H new ATOM 0 HG3 GLU A 81 3.447 1.563 -20.325 1.00 51.03 H new ATOM 1253 N ILE A 82 3.168 -2.980 -18.791 1.00 32.34 N ATOM 1254 CA ILE A 82 3.234 -4.423 -18.595 1.00 61.20 C ATOM 1255 C ILE A 82 2.649 -5.167 -19.791 1.00 23.44 C ATOM 1256 O ILE A 82 1.527 -4.894 -20.217 1.00 62.43 O ATOM 1257 CB ILE A 82 2.485 -4.854 -17.320 1.00 52.51 C ATOM 1258 CG1 ILE A 82 2.891 -3.969 -16.140 1.00 45.51 C ATOM 1259 CG2 ILE A 82 2.762 -6.317 -17.012 1.00 32.34 C ATOM 1260 CD1 ILE A 82 4.368 -4.033 -15.817 1.00 52.11 C ATOM 0 H ILE A 82 2.341 -2.537 -18.390 1.00 32.34 H new ATOM 0 HA ILE A 82 4.288 -4.679 -18.490 1.00 61.20 H new ATOM 0 HB ILE A 82 1.415 -4.735 -17.487 1.00 52.51 H new ATOM 0 HG12 ILE A 82 2.620 -2.937 -16.360 1.00 45.51 H new ATOM 0 HG13 ILE A 82 2.322 -4.267 -15.260 1.00 45.51 H new ATOM 0 HG21 ILE A 82 2.226 -6.606 -16.108 1.00 32.34 H new ATOM 0 HG22 ILE A 82 2.427 -6.934 -17.846 1.00 32.34 H new ATOM 0 HG23 ILE A 82 3.832 -6.461 -16.861 1.00 32.34 H new ATOM 0 HD11 ILE A 82 4.584 -3.381 -14.970 1.00 52.11 H new ATOM 0 HD12 ILE A 82 4.641 -5.058 -15.565 1.00 52.11 H new ATOM 0 HD13 ILE A 82 4.944 -3.706 -16.683 1.00 52.11 H new ATOM 1272 N VAL A 83 3.417 -6.111 -20.327 1.00 31.15 N ATOM 1273 CA VAL A 83 2.974 -6.898 -21.471 1.00 42.15 C ATOM 1274 C VAL A 83 3.320 -8.372 -21.292 1.00 42.22 C ATOM 1275 O VAL A 83 4.248 -8.734 -20.568 1.00 15.32 O ATOM 1276 CB VAL A 83 3.607 -6.389 -22.780 1.00 54.14 C ATOM 1277 CG1 VAL A 83 2.941 -5.097 -23.228 1.00 51.41 C ATOM 1278 CG2 VAL A 83 5.105 -6.194 -22.607 1.00 63.00 C ATOM 0 H VAL A 83 4.349 -6.349 -19.987 1.00 31.15 H new ATOM 0 HA VAL A 83 1.891 -6.787 -21.531 1.00 42.15 H new ATOM 0 HB VAL A 83 3.449 -7.139 -23.555 1.00 54.14 H new ATOM 0 HG11 VAL A 83 3.401 -4.753 -24.154 1.00 51.41 H new ATOM 0 HG12 VAL A 83 1.879 -5.274 -23.395 1.00 51.41 H new ATOM 0 HG13 VAL A 83 3.065 -4.337 -22.457 1.00 51.41 H new ATOM 0 HG21 VAL A 83 5.535 -5.834 -23.542 1.00 63.00 H new ATOM 0 HG22 VAL A 83 5.288 -5.464 -21.818 1.00 63.00 H new ATOM 0 HG23 VAL A 83 5.567 -7.144 -22.337 1.00 63.00 H new ATOM 1288 N PRO A 84 2.558 -9.245 -21.968 1.00 1.33 N ATOM 1289 CA PRO A 84 2.766 -10.694 -21.900 1.00 74.32 C ATOM 1290 C PRO A 84 4.051 -11.129 -22.595 1.00 44.13 C ATOM 1291 O PRO A 84 4.551 -10.440 -23.485 1.00 13.21 O ATOM 1292 CB PRO A 84 1.545 -11.262 -22.630 1.00 3.42 C ATOM 1293 CG PRO A 84 1.117 -10.174 -23.553 1.00 74.12 C ATOM 1294 CD PRO A 84 1.436 -8.884 -22.850 1.00 13.21 C ATOM 0 HA PRO A 84 2.867 -11.043 -20.872 1.00 74.32 H new ATOM 0 HB2 PRO A 84 1.798 -12.170 -23.178 1.00 3.42 H new ATOM 0 HB3 PRO A 84 0.751 -11.523 -21.930 1.00 3.42 H new ATOM 0 HG2 PRO A 84 1.644 -10.240 -24.505 1.00 74.12 H new ATOM 0 HG3 PRO A 84 0.052 -10.245 -23.773 1.00 74.12 H new ATOM 0 HD2 PRO A 84 1.715 -8.101 -23.555 1.00 13.21 H new ATOM 0 HD3 PRO A 84 0.582 -8.514 -22.283 1.00 13.21 H new ATOM 1302 N ASP A 85 4.582 -12.275 -22.184 1.00 61.33 N ATOM 1303 CA ASP A 85 5.810 -12.803 -22.769 1.00 55.40 C ATOM 1304 C ASP A 85 5.508 -13.967 -23.707 1.00 71.22 C ATOM 1305 O ASP A 85 6.266 -14.242 -24.636 1.00 44.20 O ATOM 1306 CB ASP A 85 6.771 -13.254 -21.669 1.00 0.15 C ATOM 1307 CG ASP A 85 8.008 -13.933 -22.223 1.00 0.20 C ATOM 1308 OD1 ASP A 85 8.890 -13.221 -22.748 1.00 75.42 O ATOM 1309 OD2 ASP A 85 8.094 -15.176 -22.132 1.00 42.45 O ATOM 0 H ASP A 85 4.182 -12.857 -21.448 1.00 61.33 H new ATOM 0 HA ASP A 85 6.280 -12.007 -23.347 1.00 55.40 H new ATOM 0 HB2 ASP A 85 7.070 -12.390 -21.075 1.00 0.15 H new ATOM 0 HB3 ASP A 85 6.254 -13.939 -20.997 1.00 0.15 H new ATOM 1314 N GLY A 86 4.395 -14.650 -23.456 1.00 53.34 N ATOM 1315 CA GLY A 86 4.013 -15.777 -24.286 1.00 62.53 C ATOM 1316 C GLY A 86 3.673 -17.009 -23.470 1.00 43.04 C ATOM 1317 O GLY A 86 2.803 -17.791 -23.850 1.00 71.52 O ATOM 0 H GLY A 86 3.751 -14.443 -22.692 1.00 53.34 H new ATOM 0 HA2 GLY A 86 3.153 -15.500 -24.896 1.00 62.53 H new ATOM 0 HA3 GLY A 86 4.827 -16.012 -24.971 1.00 62.53 H new ATOM 1321 N GLU A 87 4.363 -17.182 -22.347 1.00 50.22 N ATOM 1322 CA GLU A 87 4.130 -18.329 -21.478 1.00 3.15 C ATOM 1323 C GLU A 87 3.217 -17.953 -20.314 1.00 23.20 C ATOM 1324 O GLU A 87 3.212 -18.614 -19.276 1.00 42.02 O ATOM 1325 CB GLU A 87 5.458 -18.870 -20.944 1.00 23.21 C ATOM 1326 CG GLU A 87 6.552 -18.943 -21.996 1.00 25.13 C ATOM 1327 CD GLU A 87 7.508 -20.098 -21.765 1.00 14.03 C ATOM 1328 OE1 GLU A 87 8.137 -20.140 -20.687 1.00 32.14 O ATOM 1329 OE2 GLU A 87 7.626 -20.959 -22.661 1.00 43.12 O ATOM 0 H GLU A 87 5.087 -16.543 -22.018 1.00 50.22 H new ATOM 0 HA GLU A 87 3.640 -19.105 -22.066 1.00 3.15 H new ATOM 0 HB2 GLU A 87 5.796 -18.236 -20.124 1.00 23.21 H new ATOM 0 HB3 GLU A 87 5.295 -19.866 -20.531 1.00 23.21 H new ATOM 0 HG2 GLU A 87 6.097 -19.044 -22.981 1.00 25.13 H new ATOM 0 HG3 GLU A 87 7.112 -18.008 -21.998 1.00 25.13 H new ATOM 1336 N GLY A 88 2.445 -16.886 -20.496 1.00 4.24 N ATOM 1337 CA GLY A 88 1.540 -16.439 -19.453 1.00 75.54 C ATOM 1338 C GLY A 88 2.193 -15.462 -18.497 1.00 52.40 C ATOM 1339 O GLY A 88 1.513 -14.807 -17.708 1.00 20.12 O ATOM 0 H GLY A 88 2.430 -16.323 -21.347 1.00 4.24 H new ATOM 0 HA2 GLY A 88 0.669 -15.969 -19.909 1.00 75.54 H new ATOM 0 HA3 GLY A 88 1.180 -17.303 -18.894 1.00 75.54 H new ATOM 1343 N ASN A 89 3.516 -15.363 -18.566 1.00 64.13 N ATOM 1344 CA ASN A 89 4.262 -14.459 -17.698 1.00 22.51 C ATOM 1345 C ASN A 89 4.340 -13.062 -18.305 1.00 70.12 C ATOM 1346 O ASN A 89 4.519 -12.909 -19.514 1.00 15.45 O ATOM 1347 CB ASN A 89 5.672 -15.001 -17.454 1.00 2.10 C ATOM 1348 CG ASN A 89 6.608 -14.721 -18.614 1.00 52.12 C ATOM 1349 OD1 ASN A 89 7.065 -13.593 -18.799 1.00 2.00 O ATOM 1350 ND2 ASN A 89 6.896 -15.750 -19.403 1.00 3.41 N ATOM 0 H ASN A 89 4.094 -15.898 -19.214 1.00 64.13 H new ATOM 0 HA ASN A 89 3.735 -14.393 -16.746 1.00 22.51 H new ATOM 0 HB2 ASN A 89 6.078 -14.554 -16.547 1.00 2.10 H new ATOM 0 HB3 ASN A 89 5.620 -16.076 -17.284 1.00 2.10 H new ATOM 0 HD21 ASN A 89 7.519 -15.623 -20.200 1.00 3.41 H new ATOM 0 HD22 ASN A 89 6.494 -16.668 -19.211 1.00 3.41 H new ATOM 1357 N TRP A 90 4.205 -12.047 -17.459 1.00 63.32 N ATOM 1358 CA TRP A 90 4.261 -10.662 -17.913 1.00 30.15 C ATOM 1359 C TRP A 90 5.657 -10.081 -17.718 1.00 21.23 C ATOM 1360 O TRP A 90 6.466 -10.623 -16.962 1.00 53.54 O ATOM 1361 CB TRP A 90 3.233 -9.816 -17.159 1.00 44.23 C ATOM 1362 CG TRP A 90 1.835 -10.343 -17.268 1.00 72.43 C ATOM 1363 CD1 TRP A 90 1.275 -11.342 -16.524 1.00 22.14 C ATOM 1364 CD2 TRP A 90 0.820 -9.901 -18.177 1.00 3.25 C ATOM 1365 NE1 TRP A 90 -0.026 -11.547 -16.914 1.00 72.02 N ATOM 1366 CE2 TRP A 90 -0.330 -10.675 -17.926 1.00 4.11 C ATOM 1367 CE3 TRP A 90 0.771 -8.925 -19.175 1.00 55.23 C ATOM 1368 CZ2 TRP A 90 -1.513 -10.502 -18.639 1.00 62.34 C ATOM 1369 CZ3 TRP A 90 -0.404 -8.755 -19.883 1.00 14.13 C ATOM 1370 CH2 TRP A 90 -1.533 -9.540 -19.612 1.00 12.43 C ATOM 0 H TRP A 90 4.056 -12.157 -16.456 1.00 63.32 H new ATOM 0 HA TRP A 90 4.026 -10.644 -18.977 1.00 30.15 H new ATOM 0 HB2 TRP A 90 3.514 -9.768 -16.107 1.00 44.23 H new ATOM 0 HB3 TRP A 90 3.260 -8.796 -17.543 1.00 44.23 H new ATOM 0 HD1 TRP A 90 1.781 -11.891 -15.743 1.00 22.14 H new ATOM 0 HE1 TRP A 90 -0.663 -12.237 -16.515 1.00 72.02 H new ATOM 0 HE3 TRP A 90 1.635 -8.314 -19.390 1.00 55.23 H new ATOM 0 HZ2 TRP A 90 -2.384 -11.106 -18.432 1.00 62.34 H new ATOM 0 HZ3 TRP A 90 -0.453 -8.005 -20.658 1.00 14.13 H new ATOM 0 HH2 TRP A 90 -2.437 -9.383 -20.182 1.00 12.43 H new ATOM 1381 N LEU A 91 5.935 -8.977 -18.402 1.00 73.23 N ATOM 1382 CA LEU A 91 7.235 -8.322 -18.304 1.00 35.32 C ATOM 1383 C LEU A 91 7.099 -6.814 -18.485 1.00 44.22 C ATOM 1384 O LEU A 91 6.121 -6.333 -19.055 1.00 74.33 O ATOM 1385 CB LEU A 91 8.194 -8.889 -19.352 1.00 30.55 C ATOM 1386 CG LEU A 91 9.604 -9.219 -18.861 1.00 45.25 C ATOM 1387 CD1 LEU A 91 10.077 -10.541 -19.445 1.00 20.41 C ATOM 1388 CD2 LEU A 91 10.570 -8.099 -19.223 1.00 34.22 C ATOM 0 H LEU A 91 5.277 -8.516 -19.031 1.00 73.23 H new ATOM 0 HA LEU A 91 7.638 -8.515 -17.310 1.00 35.32 H new ATOM 0 HB2 LEU A 91 7.753 -9.796 -19.766 1.00 30.55 H new ATOM 0 HB3 LEU A 91 8.274 -8.172 -20.169 1.00 30.55 H new ATOM 0 HG LEU A 91 9.577 -9.313 -17.775 1.00 45.25 H new ATOM 0 HD11 LEU A 91 11.082 -10.759 -19.084 1.00 20.41 H new ATOM 0 HD12 LEU A 91 9.400 -11.338 -19.137 1.00 20.41 H new ATOM 0 HD13 LEU A 91 10.088 -10.475 -20.533 1.00 20.41 H new ATOM 0 HD21 LEU A 91 11.569 -8.350 -18.866 1.00 34.22 H new ATOM 0 HD22 LEU A 91 10.592 -7.974 -20.306 1.00 34.22 H new ATOM 0 HD23 LEU A 91 10.241 -7.170 -18.757 1.00 34.22 H new ATOM 1400 N GLU A 92 8.090 -6.073 -17.998 1.00 21.21 N ATOM 1401 CA GLU A 92 8.081 -4.619 -18.108 1.00 64.20 C ATOM 1402 C GLU A 92 8.463 -4.178 -19.518 1.00 72.12 C ATOM 1403 O GLU A 92 9.338 -4.770 -20.150 1.00 22.13 O ATOM 1404 CB GLU A 92 9.044 -4.003 -17.091 1.00 43.21 C ATOM 1405 CG GLU A 92 10.508 -4.145 -17.474 1.00 73.44 C ATOM 1406 CD GLU A 92 11.445 -3.646 -16.393 1.00 5.04 C ATOM 1407 OE1 GLU A 92 11.332 -4.120 -15.243 1.00 64.52 O ATOM 1408 OE2 GLU A 92 12.293 -2.780 -16.696 1.00 70.32 O ATOM 0 H GLU A 92 8.908 -6.455 -17.524 1.00 21.21 H new ATOM 0 HA GLU A 92 7.070 -4.270 -17.898 1.00 64.20 H new ATOM 0 HB2 GLU A 92 8.809 -2.945 -16.975 1.00 43.21 H new ATOM 0 HB3 GLU A 92 8.884 -4.473 -16.121 1.00 43.21 H new ATOM 0 HG2 GLU A 92 10.725 -5.193 -17.682 1.00 73.44 H new ATOM 0 HG3 GLU A 92 10.694 -3.592 -18.395 1.00 73.44 H new ATOM 1415 N ARG A 93 7.799 -3.135 -20.005 1.00 73.14 N ATOM 1416 CA ARG A 93 8.066 -2.615 -21.341 1.00 61.30 C ATOM 1417 C ARG A 93 8.235 -1.099 -21.311 1.00 31.14 C ATOM 1418 O ARG A 93 7.275 -0.340 -21.444 1.00 34.24 O ATOM 1419 CB ARG A 93 6.932 -2.994 -22.295 1.00 51.13 C ATOM 1420 CG ARG A 93 7.368 -3.102 -23.747 1.00 41.13 C ATOM 1421 CD ARG A 93 6.220 -2.802 -24.698 1.00 14.12 C ATOM 1422 NE ARG A 93 6.641 -2.841 -26.095 1.00 44.04 N ATOM 1423 CZ ARG A 93 5.799 -2.768 -27.120 1.00 33.03 C ATOM 1424 NH1 ARG A 93 4.496 -2.652 -26.903 1.00 73.44 N ATOM 1425 NH2 ARG A 93 6.259 -2.810 -28.363 1.00 70.24 N ATOM 0 H ARG A 93 7.072 -2.633 -19.495 1.00 73.14 H new ATOM 0 HA ARG A 93 8.995 -3.060 -21.697 1.00 61.30 H new ATOM 0 HB2 ARG A 93 6.507 -3.947 -21.980 1.00 51.13 H new ATOM 0 HB3 ARG A 93 6.139 -2.250 -22.217 1.00 51.13 H new ATOM 0 HG2 ARG A 93 8.188 -2.408 -23.934 1.00 41.13 H new ATOM 0 HG3 ARG A 93 7.749 -4.105 -23.940 1.00 41.13 H new ATOM 0 HD2 ARG A 93 5.420 -3.526 -24.540 1.00 14.12 H new ATOM 0 HD3 ARG A 93 5.809 -1.818 -24.471 1.00 14.12 H new ATOM 0 HE ARG A 93 7.637 -2.929 -26.295 1.00 44.04 H new ATOM 0 HH11 ARG A 93 4.139 -2.619 -25.948 1.00 73.44 H new ATOM 0 HH12 ARG A 93 3.851 -2.596 -27.691 1.00 73.44 H new ATOM 0 HH21 ARG A 93 7.261 -2.899 -28.533 1.00 70.24 H new ATOM 0 HH22 ARG A 93 5.611 -2.754 -29.149 1.00 70.24 H new ATOM 1439 N PRO A 94 9.484 -0.646 -21.131 1.00 5.01 N ATOM 1440 CA PRO A 94 9.809 0.783 -21.079 1.00 34.33 C ATOM 1441 C PRO A 94 9.652 1.462 -22.435 1.00 4.43 C ATOM 1442 O PRO A 94 10.406 1.187 -23.368 1.00 44.02 O ATOM 1443 CB PRO A 94 11.275 0.798 -20.639 1.00 34.14 C ATOM 1444 CG PRO A 94 11.816 -0.518 -21.079 1.00 61.21 C ATOM 1445 CD PRO A 94 10.677 -1.494 -20.965 1.00 42.53 C ATOM 0 HA PRO A 94 9.144 1.328 -20.409 1.00 34.33 H new ATOM 0 HB2 PRO A 94 11.818 1.623 -21.100 1.00 34.14 H new ATOM 0 HB3 PRO A 94 11.363 0.921 -19.560 1.00 34.14 H new ATOM 0 HG2 PRO A 94 12.184 -0.466 -22.104 1.00 61.21 H new ATOM 0 HG3 PRO A 94 12.655 -0.823 -20.454 1.00 61.21 H new ATOM 0 HD2 PRO A 94 10.731 -2.266 -21.732 1.00 42.53 H new ATOM 0 HD3 PRO A 94 10.678 -2.002 -20.001 1.00 42.53 H new ATOM 1453 N ARG A 95 8.670 2.352 -22.536 1.00 71.41 N ATOM 1454 CA ARG A 95 8.415 3.070 -23.779 1.00 11.12 C ATOM 1455 C ARG A 95 8.223 4.561 -23.515 1.00 75.33 C ATOM 1456 O ARG A 95 7.872 4.965 -22.407 1.00 13.12 O ATOM 1457 CB ARG A 95 7.179 2.501 -24.477 1.00 54.03 C ATOM 1458 CG ARG A 95 7.475 1.294 -25.352 1.00 72.02 C ATOM 1459 CD ARG A 95 7.739 1.702 -26.793 1.00 71.32 C ATOM 1460 NE ARG A 95 6.501 1.900 -27.542 1.00 35.24 N ATOM 1461 CZ ARG A 95 6.458 2.391 -28.775 1.00 11.30 C ATOM 1462 NH1 ARG A 95 7.579 2.733 -29.395 1.00 72.53 N ATOM 1463 NH2 ARG A 95 5.292 2.542 -29.390 1.00 60.15 N ATOM 0 H ARG A 95 8.038 2.593 -21.772 1.00 71.41 H new ATOM 0 HA ARG A 95 9.281 2.942 -24.428 1.00 11.12 H new ATOM 0 HB2 ARG A 95 6.443 2.221 -23.723 1.00 54.03 H new ATOM 0 HB3 ARG A 95 6.727 3.281 -25.090 1.00 54.03 H new ATOM 0 HG2 ARG A 95 8.341 0.762 -24.959 1.00 72.02 H new ATOM 0 HG3 ARG A 95 6.633 0.603 -25.317 1.00 72.02 H new ATOM 0 HD2 ARG A 95 8.323 2.622 -26.808 1.00 71.32 H new ATOM 0 HD3 ARG A 95 8.340 0.936 -27.282 1.00 71.32 H new ATOM 0 HE ARG A 95 5.621 1.647 -27.093 1.00 35.24 H new ATOM 0 HH11 ARG A 95 8.477 2.619 -28.925 1.00 72.53 H new ATOM 0 HH12 ARG A 95 7.543 3.110 -30.342 1.00 72.53 H new ATOM 0 HH21 ARG A 95 4.428 2.281 -28.916 1.00 60.15 H new ATOM 0 HH22 ARG A 95 5.260 2.919 -30.337 1.00 60.15 H new ATOM 1477 N SER A 96 8.455 5.373 -24.542 1.00 22.34 N ATOM 1478 CA SER A 96 8.312 6.819 -24.420 1.00 32.30 C ATOM 1479 C SER A 96 7.289 7.349 -25.420 1.00 40.20 C ATOM 1480 O SER A 96 7.399 7.112 -26.624 1.00 5.52 O ATOM 1481 CB SER A 96 9.661 7.506 -24.639 1.00 53.45 C ATOM 1482 OG SER A 96 10.729 6.583 -24.521 1.00 2.10 O ATOM 0 H SER A 96 8.743 5.054 -25.467 1.00 22.34 H new ATOM 0 HA SER A 96 7.959 7.042 -23.413 1.00 32.30 H new ATOM 0 HB2 SER A 96 9.682 7.967 -25.627 1.00 53.45 H new ATOM 0 HB3 SER A 96 9.787 8.307 -23.911 1.00 53.45 H new ATOM 0 HG SER A 96 11.172 6.704 -23.655 1.00 2.10 H new ATOM 1488 N LEU A 97 6.293 8.068 -24.913 1.00 45.01 N ATOM 1489 CA LEU A 97 5.249 8.633 -25.761 1.00 3.44 C ATOM 1490 C LEU A 97 5.567 10.080 -26.125 1.00 25.01 C ATOM 1491 O LEU A 97 5.420 10.986 -25.304 1.00 24.13 O ATOM 1492 CB LEU A 97 3.895 8.560 -25.053 1.00 21.21 C ATOM 1493 CG LEU A 97 3.588 7.250 -24.326 1.00 3.25 C ATOM 1494 CD1 LEU A 97 4.040 7.326 -22.875 1.00 44.55 C ATOM 1495 CD2 LEU A 97 2.103 6.930 -24.407 1.00 13.52 C ATOM 0 H LEU A 97 6.187 8.273 -23.920 1.00 45.01 H new ATOM 0 HA LEU A 97 5.205 8.048 -26.679 1.00 3.44 H new ATOM 0 HB2 LEU A 97 3.841 9.375 -24.331 1.00 21.21 H new ATOM 0 HB3 LEU A 97 3.112 8.735 -25.791 1.00 21.21 H new ATOM 0 HG LEU A 97 4.139 6.447 -24.816 1.00 3.25 H new ATOM 0 HD11 LEU A 97 3.813 6.385 -22.374 1.00 44.55 H new ATOM 0 HD12 LEU A 97 5.114 7.508 -22.838 1.00 44.55 H new ATOM 0 HD13 LEU A 97 3.517 8.140 -22.373 1.00 44.55 H new ATOM 0 HD21 LEU A 97 1.903 5.995 -23.884 1.00 13.52 H new ATOM 0 HD22 LEU A 97 1.532 7.734 -23.943 1.00 13.52 H new ATOM 0 HD23 LEU A 97 1.808 6.832 -25.452 1.00 13.52 H new ATOM 1507 N THR A 98 6.003 10.291 -27.363 1.00 52.13 N ATOM 1508 CA THR A 98 6.341 11.627 -27.837 1.00 53.13 C ATOM 1509 C THR A 98 5.090 12.479 -28.019 1.00 34.13 C ATOM 1510 O THR A 98 3.997 11.956 -28.243 1.00 21.11 O ATOM 1511 CB THR A 98 7.109 11.572 -29.172 1.00 14.45 C ATOM 1512 OG1 THR A 98 6.231 11.162 -30.226 1.00 34.14 O ATOM 1513 CG2 THR A 98 8.284 10.611 -29.080 1.00 70.13 C ATOM 0 H THR A 98 6.130 9.553 -28.056 1.00 52.13 H new ATOM 0 HA THR A 98 6.978 12.080 -27.077 1.00 53.13 H new ATOM 0 HB THR A 98 7.492 12.569 -29.387 1.00 14.45 H new ATOM 0 HG1 THR A 98 6.726 11.131 -31.071 1.00 34.14 H new ATOM 0 HG21 THR A 98 8.811 10.589 -30.034 1.00 70.13 H new ATOM 0 HG22 THR A 98 8.965 10.943 -28.297 1.00 70.13 H new ATOM 0 HG23 THR A 98 7.919 9.612 -28.844 1.00 70.13 H new ATOM 1521 N LEU A 99 5.255 13.793 -27.921 1.00 43.33 N ATOM 1522 CA LEU A 99 4.138 14.719 -28.076 1.00 23.23 C ATOM 1523 C LEU A 99 3.379 14.444 -29.370 1.00 14.44 C ATOM 1524 O LEU A 99 3.952 14.479 -30.459 1.00 21.14 O ATOM 1525 CB LEU A 99 4.642 16.163 -28.063 1.00 54.30 C ATOM 1526 CG LEU A 99 3.648 17.216 -27.570 1.00 62.01 C ATOM 1527 CD1 LEU A 99 2.412 17.239 -28.455 1.00 74.21 C ATOM 1528 CD2 LEU A 99 3.265 16.950 -26.122 1.00 13.55 C ATOM 0 H LEU A 99 6.152 14.242 -27.735 1.00 43.33 H new ATOM 0 HA LEU A 99 3.456 14.572 -27.239 1.00 23.23 H new ATOM 0 HB2 LEU A 99 5.532 16.211 -27.436 1.00 54.30 H new ATOM 0 HB3 LEU A 99 4.950 16.428 -29.074 1.00 54.30 H new ATOM 0 HG LEU A 99 4.126 18.194 -27.625 1.00 62.01 H new ATOM 0 HD11 LEU A 99 1.716 17.994 -28.089 1.00 74.21 H new ATOM 0 HD12 LEU A 99 2.702 17.478 -29.478 1.00 74.21 H new ATOM 0 HD13 LEU A 99 1.931 16.261 -28.433 1.00 74.21 H new ATOM 0 HD21 LEU A 99 2.557 17.709 -25.788 1.00 13.55 H new ATOM 0 HD22 LEU A 99 2.806 15.965 -26.042 1.00 13.55 H new ATOM 0 HD23 LEU A 99 4.157 16.986 -25.497 1.00 13.55 H new