USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 477 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 PHE N :NH3+ 170:sc= 0.0486 (180deg=0.00907) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.144 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 SER OG : rot 79:sc= 0.808 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc=-0.00949 X(o=-0.0095,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -2.67 K(o=-2.7,f=-0.27) USER MOD Single : A 56 THR OG1 : rot 139:sc= 0.138 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 32:sc= 0.268 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 -4.102 -34.795 7.759 1.00 71.25 N ATOM 2 CA PHE A 1 -4.654 -36.135 7.435 1.00 24.31 C ATOM 3 C PHE A 1 -4.277 -36.571 5.995 1.00 35.14 C ATOM 4 O PHE A 1 -3.835 -37.707 5.787 1.00 74.14 O ATOM 5 CB PHE A 1 -6.198 -36.153 7.592 1.00 4.43 C ATOM 6 CG PHE A 1 -6.711 -35.809 8.996 1.00 51.34 C ATOM 7 CD1 PHE A 1 -6.644 -36.744 10.026 1.00 63.02 C ATOM 8 CD2 PHE A 1 -7.267 -34.557 9.280 1.00 10.13 C ATOM 9 CE1 PHE A 1 -7.115 -36.442 11.293 1.00 64.34 C ATOM 10 CE2 PHE A 1 -7.737 -34.257 10.545 1.00 15.44 C ATOM 11 CZ PHE A 1 -7.660 -35.198 11.553 1.00 64.41 C ATOM 0 H1 PHE A 1 -4.508 -34.460 8.656 1.00 71.25 H new ATOM 0 H2 PHE A 1 -3.068 -34.858 7.849 1.00 71.25 H new ATOM 0 H3 PHE A 1 -4.343 -34.127 6.999 1.00 71.25 H new ATOM 0 HA PHE A 1 -4.214 -36.841 8.140 1.00 24.31 H new ATOM 0 HB2 PHE A 1 -6.629 -35.448 6.881 1.00 4.43 H new ATOM 0 HB3 PHE A 1 -6.564 -37.143 7.320 1.00 4.43 H new ATOM 0 HD1 PHE A 1 -6.219 -37.718 9.834 1.00 63.02 H new ATOM 0 HD2 PHE A 1 -7.330 -33.814 8.499 1.00 10.13 H new ATOM 0 HE1 PHE A 1 -7.056 -37.180 12.080 1.00 64.34 H new ATOM 0 HE2 PHE A 1 -8.165 -33.286 10.745 1.00 15.44 H new ATOM 0 HZ PHE A 1 -8.025 -34.963 12.542 1.00 64.41 H new ATOM 23 N THR A 2 -4.458 -35.669 5.001 1.00 70.14 N ATOM 24 CA THR A 2 -4.229 -35.995 3.568 1.00 24.24 C ATOM 25 C THR A 2 -3.312 -34.963 2.888 1.00 2.01 C ATOM 26 O THR A 2 -3.298 -33.781 3.269 1.00 73.21 O ATOM 27 CB THR A 2 -5.587 -36.108 2.784 1.00 53.12 C ATOM 28 OG1 THR A 2 -5.344 -36.381 1.392 1.00 3.42 O ATOM 29 CG2 THR A 2 -6.445 -34.836 2.914 1.00 33.32 C ATOM 0 H THR A 2 -4.762 -34.709 5.163 1.00 70.14 H new ATOM 0 HA THR A 2 -3.729 -36.963 3.541 1.00 24.24 H new ATOM 0 HB THR A 2 -6.141 -36.933 3.232 1.00 53.12 H new ATOM 0 HG1 THR A 2 -6.199 -36.450 0.918 1.00 3.42 H new ATOM 0 HG21 THR A 2 -7.372 -34.964 2.355 1.00 33.32 H new ATOM 0 HG22 THR A 2 -6.676 -34.659 3.964 1.00 33.32 H new ATOM 0 HG23 THR A 2 -5.895 -33.984 2.515 1.00 33.32 H new ATOM 37 N LEU A 3 -2.559 -35.435 1.865 1.00 21.33 N ATOM 38 CA LEU A 3 -1.708 -34.572 1.010 1.00 42.12 C ATOM 39 C LEU A 3 -2.573 -33.558 0.228 1.00 31.31 C ATOM 40 O LEU A 3 -2.082 -32.504 -0.150 1.00 31.13 O ATOM 41 CB LEU A 3 -0.853 -35.411 -0.002 1.00 51.10 C ATOM 42 CG LEU A 3 0.325 -36.285 0.567 1.00 61.03 C ATOM 43 CD1 LEU A 3 1.315 -35.435 1.398 1.00 51.51 C ATOM 44 CD2 LEU A 3 -0.188 -37.511 1.360 1.00 61.10 C ATOM 0 H LEU A 3 -2.524 -36.422 1.610 1.00 21.33 H new ATOM 0 HA LEU A 3 -1.028 -34.039 1.675 1.00 42.12 H new ATOM 0 HB2 LEU A 3 -1.530 -36.074 -0.540 1.00 51.10 H new ATOM 0 HB3 LEU A 3 -0.433 -34.722 -0.734 1.00 51.10 H new ATOM 0 HG LEU A 3 0.874 -36.675 -0.290 1.00 61.03 H new ATOM 0 HD11 LEU A 3 2.115 -36.073 1.775 1.00 51.51 H new ATOM 0 HD12 LEU A 3 1.740 -34.653 0.769 1.00 51.51 H new ATOM 0 HD13 LEU A 3 0.789 -34.980 2.237 1.00 51.51 H new ATOM 0 HD21 LEU A 3 0.661 -38.084 1.733 1.00 61.10 H new ATOM 0 HD22 LEU A 3 -0.795 -37.173 2.200 1.00 61.10 H new ATOM 0 HD23 LEU A 3 -0.792 -38.141 0.706 1.00 61.10 H new ATOM 56 N ILE A 4 -3.867 -33.904 0.021 1.00 14.44 N ATOM 57 CA ILE A 4 -4.845 -33.047 -0.696 1.00 12.22 C ATOM 58 C ILE A 4 -5.006 -31.680 0.001 1.00 54.22 C ATOM 59 O ILE A 4 -4.904 -30.633 -0.645 1.00 51.50 O ATOM 60 CB ILE A 4 -6.249 -33.763 -0.829 1.00 40.20 C ATOM 61 CG1 ILE A 4 -6.122 -35.052 -1.705 1.00 32.21 C ATOM 62 CG2 ILE A 4 -7.349 -32.811 -1.388 1.00 22.41 C ATOM 63 CD1 ILE A 4 -5.603 -34.810 -3.120 1.00 24.04 C ATOM 0 H ILE A 4 -4.263 -34.786 0.347 1.00 14.44 H new ATOM 0 HA ILE A 4 -4.452 -32.877 -1.698 1.00 12.22 H new ATOM 0 HB ILE A 4 -6.565 -34.050 0.174 1.00 40.20 H new ATOM 0 HG12 ILE A 4 -5.455 -35.753 -1.202 1.00 32.21 H new ATOM 0 HG13 ILE A 4 -7.099 -35.531 -1.767 1.00 32.21 H new ATOM 0 HG21 ILE A 4 -8.294 -33.350 -1.460 1.00 22.41 H new ATOM 0 HG22 ILE A 4 -7.467 -31.959 -0.718 1.00 22.41 H new ATOM 0 HG23 ILE A 4 -7.056 -32.458 -2.377 1.00 22.41 H new ATOM 0 HD11 ILE A 4 -5.547 -35.758 -3.654 1.00 24.04 H new ATOM 0 HD12 ILE A 4 -6.280 -34.137 -3.646 1.00 24.04 H new ATOM 0 HD13 ILE A 4 -4.610 -34.362 -3.072 1.00 24.04 H new ATOM 75 N GLU A 5 -5.228 -31.715 1.330 1.00 3.44 N ATOM 76 CA GLU A 5 -5.353 -30.490 2.150 1.00 14.13 C ATOM 77 C GLU A 5 -4.039 -29.698 2.198 1.00 71.41 C ATOM 78 O GLU A 5 -4.065 -28.478 2.190 1.00 30.32 O ATOM 79 CB GLU A 5 -5.872 -30.800 3.582 1.00 51.35 C ATOM 80 CG GLU A 5 -7.323 -31.328 3.627 1.00 14.33 C ATOM 81 CD GLU A 5 -8.325 -30.438 2.868 1.00 24.54 C ATOM 82 OE1 GLU A 5 -8.637 -29.326 3.344 1.00 2.10 O ATOM 83 OE2 GLU A 5 -8.798 -30.841 1.778 1.00 23.43 O ATOM 0 H GLU A 5 -5.325 -32.580 1.861 1.00 3.44 H new ATOM 0 HA GLU A 5 -6.098 -29.862 1.661 1.00 14.13 H new ATOM 0 HB2 GLU A 5 -5.214 -31.537 4.044 1.00 51.35 H new ATOM 0 HB3 GLU A 5 -5.808 -29.894 4.184 1.00 51.35 H new ATOM 0 HG2 GLU A 5 -7.349 -32.332 3.204 1.00 14.33 H new ATOM 0 HG3 GLU A 5 -7.639 -31.411 4.667 1.00 14.33 H new ATOM 90 N LEU A 6 -2.897 -30.402 2.212 1.00 51.21 N ATOM 91 CA LEU A 6 -1.561 -29.759 2.176 1.00 41.30 C ATOM 92 C LEU A 6 -1.332 -28.997 0.849 1.00 50.22 C ATOM 93 O LEU A 6 -0.752 -27.909 0.843 1.00 63.04 O ATOM 94 CB LEU A 6 -0.457 -30.817 2.394 1.00 12.14 C ATOM 95 CG LEU A 6 -0.557 -31.638 3.721 1.00 33.52 C ATOM 96 CD1 LEU A 6 0.583 -32.674 3.829 1.00 52.21 C ATOM 97 CD2 LEU A 6 -0.592 -30.713 4.969 1.00 34.21 C ATOM 0 H LEU A 6 -2.865 -31.421 2.248 1.00 51.21 H new ATOM 0 HA LEU A 6 -1.517 -29.028 2.984 1.00 41.30 H new ATOM 0 HB2 LEU A 6 -0.476 -31.513 1.555 1.00 12.14 H new ATOM 0 HB3 LEU A 6 0.511 -30.316 2.371 1.00 12.14 H new ATOM 0 HG LEU A 6 -1.501 -32.182 3.691 1.00 33.52 H new ATOM 0 HD11 LEU A 6 0.484 -33.228 4.763 1.00 52.21 H new ATOM 0 HD12 LEU A 6 0.526 -33.366 2.989 1.00 52.21 H new ATOM 0 HD13 LEU A 6 1.544 -32.160 3.812 1.00 52.21 H new ATOM 0 HD21 LEU A 6 -0.662 -31.321 5.871 1.00 34.21 H new ATOM 0 HD22 LEU A 6 0.319 -30.115 5.004 1.00 34.21 H new ATOM 0 HD23 LEU A 6 -1.457 -30.053 4.909 1.00 34.21 H new ATOM 109 N LEU A 7 -1.809 -29.580 -0.265 1.00 50.50 N ATOM 110 CA LEU A 7 -1.784 -28.931 -1.600 1.00 61.23 C ATOM 111 C LEU A 7 -2.603 -27.613 -1.599 1.00 10.40 C ATOM 112 O LEU A 7 -2.155 -26.593 -2.135 1.00 63.33 O ATOM 113 CB LEU A 7 -2.333 -29.899 -2.687 1.00 74.05 C ATOM 114 CG LEU A 7 -1.496 -31.197 -2.944 1.00 71.14 C ATOM 115 CD1 LEU A 7 -2.236 -32.180 -3.880 1.00 40.43 C ATOM 116 CD2 LEU A 7 -0.085 -30.862 -3.493 1.00 21.54 C ATOM 0 H LEU A 7 -2.223 -30.512 -0.272 1.00 50.50 H new ATOM 0 HA LEU A 7 -0.747 -28.688 -1.832 1.00 61.23 H new ATOM 0 HB2 LEU A 7 -3.344 -30.194 -2.404 1.00 74.05 H new ATOM 0 HB3 LEU A 7 -2.412 -29.351 -3.626 1.00 74.05 H new ATOM 0 HG LEU A 7 -1.371 -31.692 -1.981 1.00 71.14 H new ATOM 0 HD11 LEU A 7 -1.622 -33.068 -4.034 1.00 40.43 H new ATOM 0 HD12 LEU A 7 -3.185 -32.468 -3.428 1.00 40.43 H new ATOM 0 HD13 LEU A 7 -2.423 -31.698 -4.839 1.00 40.43 H new ATOM 0 HD21 LEU A 7 0.469 -31.786 -3.660 1.00 21.54 H new ATOM 0 HD22 LEU A 7 -0.180 -30.320 -4.434 1.00 21.54 H new ATOM 0 HD23 LEU A 7 0.449 -30.244 -2.771 1.00 21.54 H new ATOM 128 N ILE A 8 -3.802 -27.665 -0.982 1.00 22.30 N ATOM 129 CA ILE A 8 -4.729 -26.532 -0.890 1.00 53.12 C ATOM 130 C ILE A 8 -4.198 -25.404 0.023 1.00 63.23 C ATOM 131 O ILE A 8 -4.119 -24.266 -0.415 1.00 33.25 O ATOM 132 CB ILE A 8 -6.128 -27.059 -0.398 1.00 15.52 C ATOM 133 CG1 ILE A 8 -6.736 -28.053 -1.445 1.00 31.43 C ATOM 134 CG2 ILE A 8 -7.104 -25.905 -0.087 1.00 21.02 C ATOM 135 CD1 ILE A 8 -7.961 -28.806 -0.966 1.00 52.12 C ATOM 0 H ILE A 8 -4.152 -28.509 -0.530 1.00 22.30 H new ATOM 0 HA ILE A 8 -4.831 -26.088 -1.880 1.00 53.12 H new ATOM 0 HB ILE A 8 -5.970 -27.597 0.537 1.00 15.52 H new ATOM 0 HG12 ILE A 8 -6.997 -27.496 -2.345 1.00 31.43 H new ATOM 0 HG13 ILE A 8 -5.970 -28.775 -1.728 1.00 31.43 H new ATOM 0 HG21 ILE A 8 -8.057 -26.315 0.249 1.00 21.02 H new ATOM 0 HG22 ILE A 8 -6.684 -25.274 0.696 1.00 21.02 H new ATOM 0 HG23 ILE A 8 -7.262 -25.310 -0.986 1.00 21.02 H new ATOM 0 HD11 ILE A 8 -8.312 -29.470 -1.756 1.00 52.12 H new ATOM 0 HD12 ILE A 8 -7.705 -29.394 -0.085 1.00 52.12 H new ATOM 0 HD13 ILE A 8 -8.748 -28.096 -0.712 1.00 52.12 H new ATOM 147 N VAL A 9 -3.816 -25.736 1.274 1.00 41.13 N ATOM 148 CA VAL A 9 -3.346 -24.757 2.274 1.00 13.54 C ATOM 149 C VAL A 9 -2.118 -23.954 1.769 1.00 22.21 C ATOM 150 O VAL A 9 -2.073 -22.727 1.914 1.00 1.21 O ATOM 151 CB VAL A 9 -3.027 -25.481 3.641 1.00 55.12 C ATOM 152 CG1 VAL A 9 -2.378 -24.536 4.667 1.00 34.22 C ATOM 153 CG2 VAL A 9 -4.302 -26.128 4.234 1.00 74.44 C ATOM 0 H VAL A 9 -3.825 -26.696 1.619 1.00 41.13 H new ATOM 0 HA VAL A 9 -4.149 -24.038 2.437 1.00 13.54 H new ATOM 0 HB VAL A 9 -2.303 -26.266 3.420 1.00 55.12 H new ATOM 0 HG11 VAL A 9 -2.179 -25.082 5.589 1.00 34.22 H new ATOM 0 HG12 VAL A 9 -1.442 -24.150 4.264 1.00 34.22 H new ATOM 0 HG13 VAL A 9 -3.053 -23.706 4.875 1.00 34.22 H new ATOM 0 HG21 VAL A 9 -4.056 -26.620 5.175 1.00 74.44 H new ATOM 0 HG22 VAL A 9 -5.052 -25.357 4.413 1.00 74.44 H new ATOM 0 HG23 VAL A 9 -4.697 -26.863 3.533 1.00 74.44 H new ATOM 163 N VAL A 10 -1.155 -24.647 1.142 1.00 62.23 N ATOM 164 CA VAL A 10 0.029 -24.005 0.556 1.00 42.22 C ATOM 165 C VAL A 10 -0.335 -23.131 -0.683 1.00 12.32 C ATOM 166 O VAL A 10 0.273 -22.071 -0.888 1.00 63.10 O ATOM 167 CB VAL A 10 1.100 -25.100 0.192 1.00 74.43 C ATOM 168 CG1 VAL A 10 2.306 -24.519 -0.564 1.00 43.30 C ATOM 169 CG2 VAL A 10 1.561 -25.863 1.461 1.00 43.53 C ATOM 0 H VAL A 10 -1.175 -25.660 1.028 1.00 62.23 H new ATOM 0 HA VAL A 10 0.454 -23.328 1.297 1.00 42.22 H new ATOM 0 HB VAL A 10 0.614 -25.804 -0.483 1.00 74.43 H new ATOM 0 HG11 VAL A 10 3.013 -25.317 -0.790 1.00 43.30 H new ATOM 0 HG12 VAL A 10 1.967 -24.061 -1.493 1.00 43.30 H new ATOM 0 HG13 VAL A 10 2.795 -23.766 0.054 1.00 43.30 H new ATOM 0 HG21 VAL A 10 2.301 -26.614 1.185 1.00 43.53 H new ATOM 0 HG22 VAL A 10 2.003 -25.160 2.167 1.00 43.53 H new ATOM 0 HG23 VAL A 10 0.703 -26.351 1.924 1.00 43.53 H new ATOM 179 N ALA A 11 -1.353 -23.543 -1.478 1.00 4.34 N ATOM 180 CA ALA A 11 -1.765 -22.783 -2.685 1.00 74.11 C ATOM 181 C ALA A 11 -2.522 -21.484 -2.317 1.00 22.44 C ATOM 182 O ALA A 11 -2.164 -20.403 -2.792 1.00 71.21 O ATOM 183 CB ALA A 11 -2.622 -23.666 -3.602 1.00 22.53 C ATOM 0 H ALA A 11 -1.899 -24.388 -1.308 1.00 4.34 H new ATOM 0 HA ALA A 11 -0.860 -22.491 -3.218 1.00 74.11 H new ATOM 0 HB1 ALA A 11 -2.917 -23.097 -4.483 1.00 22.53 H new ATOM 0 HB2 ALA A 11 -2.045 -24.538 -3.910 1.00 22.53 H new ATOM 0 HB3 ALA A 11 -3.513 -23.991 -3.065 1.00 22.53 H new ATOM 189 N ILE A 12 -3.538 -21.605 -1.430 1.00 25.41 N ATOM 190 CA ILE A 12 -4.428 -20.486 -1.040 1.00 31.11 C ATOM 191 C ILE A 12 -3.661 -19.366 -0.288 1.00 53.22 C ATOM 192 O ILE A 12 -3.847 -18.186 -0.582 1.00 60.34 O ATOM 193 CB ILE A 12 -5.660 -20.995 -0.183 1.00 20.25 C ATOM 194 CG1 ILE A 12 -5.209 -21.638 1.173 1.00 74.21 C ATOM 195 CG2 ILE A 12 -6.523 -21.984 -1.010 1.00 51.04 C ATOM 196 CD1 ILE A 12 -6.332 -22.180 2.040 1.00 25.43 C ATOM 0 H ILE A 12 -3.764 -22.484 -0.964 1.00 25.41 H new ATOM 0 HA ILE A 12 -4.813 -20.056 -1.965 1.00 31.11 H new ATOM 0 HB ILE A 12 -6.269 -20.126 0.066 1.00 20.25 H new ATOM 0 HG12 ILE A 12 -4.514 -22.450 0.958 1.00 74.21 H new ATOM 0 HG13 ILE A 12 -4.659 -20.891 1.745 1.00 74.21 H new ATOM 0 HG21 ILE A 12 -7.365 -22.324 -0.407 1.00 51.04 H new ATOM 0 HG22 ILE A 12 -6.895 -21.483 -1.903 1.00 51.04 H new ATOM 0 HG23 ILE A 12 -5.916 -22.841 -1.301 1.00 51.04 H new ATOM 0 HD11 ILE A 12 -5.915 -22.603 2.954 1.00 25.43 H new ATOM 0 HD12 ILE A 12 -7.018 -21.372 2.294 1.00 25.43 H new ATOM 0 HD13 ILE A 12 -6.871 -22.955 1.495 1.00 25.43 H new ATOM 208 N ILE A 13 -2.767 -19.758 0.650 1.00 1.22 N ATOM 209 CA ILE A 13 -1.902 -18.831 1.397 1.00 13.41 C ATOM 210 C ILE A 13 -0.779 -18.299 0.474 1.00 34.13 C ATOM 211 O ILE A 13 -0.328 -17.150 0.615 1.00 5.25 O ATOM 212 CB ILE A 13 -1.321 -19.562 2.673 1.00 30.11 C ATOM 213 CG1 ILE A 13 -2.480 -19.912 3.670 1.00 22.34 C ATOM 214 CG2 ILE A 13 -0.210 -18.742 3.369 1.00 54.23 C ATOM 215 CD1 ILE A 13 -2.061 -20.697 4.907 1.00 43.51 C ATOM 0 H ILE A 13 -2.629 -20.735 0.907 1.00 1.22 H new ATOM 0 HA ILE A 13 -2.481 -17.973 1.737 1.00 13.41 H new ATOM 0 HB ILE A 13 -0.854 -20.488 2.337 1.00 30.11 H new ATOM 0 HG12 ILE A 13 -2.953 -18.984 3.992 1.00 22.34 H new ATOM 0 HG13 ILE A 13 -3.236 -20.486 3.135 1.00 22.34 H new ATOM 0 HG21 ILE A 13 0.155 -19.288 4.239 1.00 54.23 H new ATOM 0 HG22 ILE A 13 0.612 -18.578 2.672 1.00 54.23 H new ATOM 0 HG23 ILE A 13 -0.613 -17.780 3.687 1.00 54.23 H new ATOM 0 HD11 ILE A 13 -2.935 -20.888 5.530 1.00 43.51 H new ATOM 0 HD12 ILE A 13 -1.618 -21.646 4.603 1.00 43.51 H new ATOM 0 HD13 ILE A 13 -1.330 -20.120 5.474 1.00 43.51 H new ATOM 227 N GLY A 14 -0.379 -19.143 -0.508 1.00 3.24 N ATOM 228 CA GLY A 14 0.593 -18.762 -1.537 1.00 30.14 C ATOM 229 C GLY A 14 0.114 -17.598 -2.414 1.00 71.41 C ATOM 230 O GLY A 14 0.915 -16.743 -2.802 1.00 20.31 O ATOM 0 H GLY A 14 -0.724 -20.098 -0.601 1.00 3.24 H new ATOM 0 HA2 GLY A 14 1.532 -18.485 -1.057 1.00 30.14 H new ATOM 0 HA3 GLY A 14 0.801 -19.625 -2.170 1.00 30.14 H new ATOM 234 N ILE A 15 -1.210 -17.570 -2.704 1.00 64.31 N ATOM 235 CA ILE A 15 -1.863 -16.453 -3.416 1.00 44.31 C ATOM 236 C ILE A 15 -1.904 -15.204 -2.533 1.00 1.55 C ATOM 237 O ILE A 15 -1.530 -14.132 -2.986 1.00 12.34 O ATOM 238 CB ILE A 15 -3.321 -16.859 -3.847 1.00 55.44 C ATOM 239 CG1 ILE A 15 -3.281 -18.112 -4.787 1.00 55.31 C ATOM 240 CG2 ILE A 15 -4.087 -15.679 -4.517 1.00 64.25 C ATOM 241 CD1 ILE A 15 -4.521 -18.977 -4.722 1.00 45.33 C ATOM 0 H ILE A 15 -1.851 -18.322 -2.450 1.00 64.31 H new ATOM 0 HA ILE A 15 -1.281 -16.228 -4.310 1.00 44.31 H new ATOM 0 HB ILE A 15 -3.872 -17.117 -2.943 1.00 55.44 H new ATOM 0 HG12 ILE A 15 -3.139 -17.777 -5.814 1.00 55.31 H new ATOM 0 HG13 ILE A 15 -2.414 -18.719 -4.527 1.00 55.31 H new ATOM 0 HG21 ILE A 15 -5.088 -16.007 -4.797 1.00 64.25 H new ATOM 0 HG22 ILE A 15 -4.161 -14.848 -3.815 1.00 64.25 H new ATOM 0 HG23 ILE A 15 -3.549 -15.355 -5.408 1.00 64.25 H new ATOM 0 HD11 ILE A 15 -4.411 -19.822 -5.402 1.00 45.33 H new ATOM 0 HD12 ILE A 15 -4.655 -19.345 -3.705 1.00 45.33 H new ATOM 0 HD13 ILE A 15 -5.391 -18.388 -5.012 1.00 45.33 H new ATOM 253 N LEU A 16 -2.327 -15.371 -1.258 1.00 62.24 N ATOM 254 CA LEU A 16 -2.500 -14.241 -0.312 1.00 14.31 C ATOM 255 C LEU A 16 -1.184 -13.472 -0.077 1.00 43.24 C ATOM 256 O LEU A 16 -1.195 -12.253 0.077 1.00 53.34 O ATOM 257 CB LEU A 16 -3.083 -14.719 1.046 1.00 50.14 C ATOM 258 CG LEU A 16 -4.438 -15.501 0.993 1.00 10.22 C ATOM 259 CD1 LEU A 16 -5.121 -15.572 2.383 1.00 72.32 C ATOM 260 CD2 LEU A 16 -5.390 -14.936 -0.087 1.00 50.33 C ATOM 0 H LEU A 16 -2.556 -16.281 -0.859 1.00 62.24 H new ATOM 0 HA LEU A 16 -3.211 -13.558 -0.777 1.00 14.31 H new ATOM 0 HB2 LEU A 16 -2.342 -15.355 1.530 1.00 50.14 H new ATOM 0 HB3 LEU A 16 -3.219 -13.846 1.684 1.00 50.14 H new ATOM 0 HG LEU A 16 -4.200 -16.524 0.703 1.00 10.22 H new ATOM 0 HD11 LEU A 16 -6.058 -16.123 2.300 1.00 72.32 H new ATOM 0 HD12 LEU A 16 -4.462 -16.080 3.087 1.00 72.32 H new ATOM 0 HD13 LEU A 16 -5.324 -14.563 2.741 1.00 72.32 H new ATOM 0 HD21 LEU A 16 -6.318 -15.508 -0.089 1.00 50.33 H new ATOM 0 HD22 LEU A 16 -5.609 -13.891 0.131 1.00 50.33 H new ATOM 0 HD23 LEU A 16 -4.915 -15.011 -1.065 1.00 50.33 H new ATOM 272 N ALA A 17 -0.063 -14.204 -0.061 1.00 63.24 N ATOM 273 CA ALA A 17 1.284 -13.605 0.042 1.00 21.13 C ATOM 274 C ALA A 17 1.671 -12.903 -1.279 1.00 32.31 C ATOM 275 O ALA A 17 2.016 -11.719 -1.298 1.00 2.35 O ATOM 276 CB ALA A 17 2.308 -14.687 0.414 1.00 62.22 C ATOM 0 H ALA A 17 -0.058 -15.222 -0.118 1.00 63.24 H new ATOM 0 HA ALA A 17 1.277 -12.850 0.828 1.00 21.13 H new ATOM 0 HB1 ALA A 17 3.299 -14.240 0.489 1.00 62.22 H new ATOM 0 HB2 ALA A 17 2.037 -15.130 1.372 1.00 62.22 H new ATOM 0 HB3 ALA A 17 2.316 -15.460 -0.354 1.00 62.22 H new ATOM 282 N ALA A 18 1.545 -13.658 -2.380 1.00 72.32 N ATOM 283 CA ALA A 18 1.923 -13.210 -3.738 1.00 53.11 C ATOM 284 C ALA A 18 1.083 -12.028 -4.271 1.00 42.23 C ATOM 285 O ALA A 18 1.493 -11.384 -5.237 1.00 35.10 O ATOM 286 CB ALA A 18 1.873 -14.388 -4.721 1.00 33.34 C ATOM 0 H ALA A 18 1.174 -14.608 -2.358 1.00 72.32 H new ATOM 0 HA ALA A 18 2.943 -12.836 -3.656 1.00 53.11 H new ATOM 0 HB1 ALA A 18 2.154 -14.043 -5.716 1.00 33.34 H new ATOM 0 HB2 ALA A 18 2.567 -15.163 -4.396 1.00 33.34 H new ATOM 0 HB3 ALA A 18 0.862 -14.795 -4.750 1.00 33.34 H new ATOM 292 N ILE A 19 -0.112 -11.779 -3.698 1.00 63.12 N ATOM 293 CA ILE A 19 -0.919 -10.585 -4.046 1.00 63.12 C ATOM 294 C ILE A 19 -0.656 -9.425 -3.071 1.00 65.21 C ATOM 295 O ILE A 19 -0.445 -8.301 -3.508 1.00 23.03 O ATOM 296 CB ILE A 19 -2.462 -10.899 -4.205 1.00 41.11 C ATOM 297 CG1 ILE A 19 -3.139 -11.467 -2.903 1.00 2.10 C ATOM 298 CG2 ILE A 19 -2.690 -11.841 -5.411 1.00 11.03 C ATOM 299 CD1 ILE A 19 -3.717 -10.409 -1.980 1.00 61.42 C ATOM 0 H ILE A 19 -0.540 -12.383 -2.996 1.00 63.12 H new ATOM 0 HA ILE A 19 -0.585 -10.264 -5.033 1.00 63.12 H new ATOM 0 HB ILE A 19 -2.954 -9.944 -4.389 1.00 41.11 H new ATOM 0 HG12 ILE A 19 -3.935 -12.153 -3.193 1.00 2.10 H new ATOM 0 HG13 ILE A 19 -2.402 -12.050 -2.350 1.00 2.10 H new ATOM 0 HG21 ILE A 19 -3.755 -12.051 -5.512 1.00 11.03 H new ATOM 0 HG22 ILE A 19 -2.327 -11.362 -6.320 1.00 11.03 H new ATOM 0 HG23 ILE A 19 -2.150 -12.774 -5.251 1.00 11.03 H new ATOM 0 HD11 ILE A 19 -4.163 -10.890 -1.109 1.00 61.42 H new ATOM 0 HD12 ILE A 19 -2.923 -9.736 -1.656 1.00 61.42 H new ATOM 0 HD13 ILE A 19 -4.480 -9.841 -2.511 1.00 61.42 H new ATOM 311 N ALA A 20 -0.590 -9.724 -1.765 1.00 33.53 N ATOM 312 CA ALA A 20 -0.548 -8.681 -0.701 1.00 44.51 C ATOM 313 C ALA A 20 0.800 -7.951 -0.646 1.00 32.24 C ATOM 314 O ALA A 20 0.823 -6.731 -0.579 1.00 44.11 O ATOM 315 CB ALA A 20 -0.893 -9.275 0.677 1.00 21.32 C ATOM 0 H ALA A 20 -0.564 -10.679 -1.408 1.00 33.53 H new ATOM 0 HA ALA A 20 -1.306 -7.943 -0.964 1.00 44.51 H new ATOM 0 HB1 ALA A 20 -0.854 -8.490 1.432 1.00 21.32 H new ATOM 0 HB2 ALA A 20 -1.896 -9.701 0.649 1.00 21.32 H new ATOM 0 HB3 ALA A 20 -0.174 -10.055 0.927 1.00 21.32 H new ATOM 321 N ILE A 21 1.902 -8.714 -0.675 1.00 10.23 N ATOM 322 CA ILE A 21 3.279 -8.166 -0.586 1.00 32.30 C ATOM 323 C ILE A 21 3.612 -7.160 -1.732 1.00 3.21 C ATOM 324 O ILE A 21 3.998 -6.044 -1.423 1.00 73.42 O ATOM 325 CB ILE A 21 4.342 -9.329 -0.484 1.00 71.33 C ATOM 326 CG1 ILE A 21 4.183 -10.070 0.885 1.00 73.12 C ATOM 327 CG2 ILE A 21 5.791 -8.812 -0.699 1.00 4.23 C ATOM 328 CD1 ILE A 21 4.590 -11.535 0.860 1.00 73.43 C ATOM 0 H ILE A 21 1.872 -9.730 -0.761 1.00 10.23 H new ATOM 0 HA ILE A 21 3.331 -7.584 0.334 1.00 32.30 H new ATOM 0 HB ILE A 21 4.153 -10.041 -1.287 1.00 71.33 H new ATOM 0 HG12 ILE A 21 4.781 -9.553 1.635 1.00 73.12 H new ATOM 0 HG13 ILE A 21 3.143 -10.000 1.203 1.00 73.12 H new ATOM 0 HG21 ILE A 21 6.490 -9.645 -0.620 1.00 4.23 H new ATOM 0 HG22 ILE A 21 5.873 -8.361 -1.688 1.00 4.23 H new ATOM 0 HG23 ILE A 21 6.028 -8.067 0.060 1.00 4.23 H new ATOM 0 HD11 ILE A 21 4.447 -11.969 1.850 1.00 73.43 H new ATOM 0 HD12 ILE A 21 3.976 -12.071 0.137 1.00 73.43 H new ATOM 0 HD13 ILE A 21 5.639 -11.616 0.576 1.00 73.43 H new ATOM 340 N PRO A 22 3.462 -7.497 -3.062 1.00 51.14 N ATOM 341 CA PRO A 22 3.708 -6.511 -4.157 1.00 21.41 C ATOM 342 C PRO A 22 2.700 -5.340 -4.145 1.00 72.23 C ATOM 343 O PRO A 22 3.062 -4.195 -4.416 1.00 51.34 O ATOM 344 CB PRO A 22 3.555 -7.341 -5.442 1.00 74.34 C ATOM 345 CG PRO A 22 2.693 -8.497 -5.041 1.00 32.14 C ATOM 346 CD PRO A 22 3.085 -8.822 -3.620 1.00 22.30 C ATOM 0 HA PRO A 22 4.686 -6.040 -4.056 1.00 21.41 H new ATOM 0 HB2 PRO A 22 3.092 -6.758 -6.238 1.00 74.34 H new ATOM 0 HB3 PRO A 22 4.522 -7.678 -5.815 1.00 74.34 H new ATOM 0 HG2 PRO A 22 1.636 -8.239 -5.107 1.00 32.14 H new ATOM 0 HG3 PRO A 22 2.854 -9.352 -5.697 1.00 32.14 H new ATOM 0 HD2 PRO A 22 2.260 -9.272 -3.067 1.00 22.30 H new ATOM 0 HD3 PRO A 22 3.916 -9.526 -3.582 1.00 22.30 H new ATOM 354 N GLN A 23 1.430 -5.658 -3.825 1.00 74.31 N ATOM 355 CA GLN A 23 0.322 -4.670 -3.803 1.00 73.20 C ATOM 356 C GLN A 23 0.552 -3.634 -2.686 1.00 44.41 C ATOM 357 O GLN A 23 0.253 -2.450 -2.848 1.00 45.22 O ATOM 358 CB GLN A 23 -1.037 -5.397 -3.590 1.00 62.03 C ATOM 359 CG GLN A 23 -2.281 -4.491 -3.491 1.00 33.44 C ATOM 360 CD GLN A 23 -3.571 -5.272 -3.196 1.00 4.42 C ATOM 361 OE1 GLN A 23 -4.270 -5.714 -4.103 1.00 74.24 O ATOM 362 NE2 GLN A 23 -3.882 -5.459 -1.926 1.00 62.32 N ATOM 0 H GLN A 23 1.139 -6.603 -3.574 1.00 74.31 H new ATOM 0 HA GLN A 23 0.297 -4.150 -4.760 1.00 73.20 H new ATOM 0 HB2 GLN A 23 -1.186 -6.095 -4.413 1.00 62.03 H new ATOM 0 HB3 GLN A 23 -0.970 -5.990 -2.678 1.00 62.03 H new ATOM 0 HG2 GLN A 23 -2.123 -3.751 -2.706 1.00 33.44 H new ATOM 0 HG3 GLN A 23 -2.400 -3.943 -4.426 1.00 33.44 H new ATOM 0 HE21 GLN A 23 -3.282 -5.080 -1.193 1.00 62.32 H new ATOM 0 HE22 GLN A 23 -4.722 -5.982 -1.678 1.00 62.32 H new ATOM 371 N PHE A 24 1.121 -4.107 -1.565 1.00 4.32 N ATOM 372 CA PHE A 24 1.361 -3.272 -0.356 1.00 25.12 C ATOM 373 C PHE A 24 2.716 -2.551 -0.442 1.00 12.43 C ATOM 374 O PHE A 24 2.837 -1.412 0.010 1.00 61.41 O ATOM 375 CB PHE A 24 1.285 -4.095 0.956 1.00 54.41 C ATOM 376 CG PHE A 24 1.527 -3.260 2.225 1.00 73.22 C ATOM 377 CD1 PHE A 24 0.621 -2.267 2.606 1.00 30.23 C ATOM 378 CD2 PHE A 24 2.677 -3.432 3.001 1.00 74.31 C ATOM 379 CE1 PHE A 24 0.852 -1.481 3.720 1.00 0.21 C ATOM 380 CE2 PHE A 24 2.909 -2.641 4.109 1.00 45.12 C ATOM 381 CZ PHE A 24 1.996 -1.669 4.470 1.00 22.35 C ATOM 0 H PHE A 24 1.430 -5.074 -1.462 1.00 4.32 H new ATOM 0 HA PHE A 24 0.562 -2.531 -0.330 1.00 25.12 H new ATOM 0 HB2 PHE A 24 0.304 -4.565 1.023 1.00 54.41 H new ATOM 0 HB3 PHE A 24 2.021 -4.898 0.914 1.00 54.41 H new ATOM 0 HD1 PHE A 24 -0.274 -2.111 2.021 1.00 30.23 H new ATOM 0 HD2 PHE A 24 3.393 -4.194 2.730 1.00 74.31 H new ATOM 0 HE1 PHE A 24 0.139 -0.721 4.003 1.00 0.21 H new ATOM 0 HE2 PHE A 24 3.806 -2.782 4.694 1.00 45.12 H new ATOM 0 HZ PHE A 24 2.177 -1.055 5.340 1.00 22.35 H new ATOM 391 N SER A 25 3.738 -3.233 -0.986 1.00 62.04 N ATOM 392 CA SER A 25 5.042 -2.592 -1.307 1.00 74.21 C ATOM 393 C SER A 25 4.840 -1.383 -2.246 1.00 43.43 C ATOM 394 O SER A 25 5.313 -0.284 -1.957 1.00 51.10 O ATOM 395 CB SER A 25 6.032 -3.608 -1.938 1.00 35.34 C ATOM 396 OG SER A 25 6.401 -4.624 -1.014 1.00 73.02 O ATOM 0 H SER A 25 3.695 -4.226 -1.215 1.00 62.04 H new ATOM 0 HA SER A 25 5.475 -2.238 -0.371 1.00 74.21 H new ATOM 0 HB2 SER A 25 5.576 -4.063 -2.817 1.00 35.34 H new ATOM 0 HB3 SER A 25 6.925 -3.083 -2.278 1.00 35.34 H new ATOM 0 HG SER A 25 5.687 -5.293 -0.961 1.00 73.02 H new ATOM 402 N ALA A 26 4.077 -1.595 -3.330 1.00 30.04 N ATOM 403 CA ALA A 26 3.709 -0.524 -4.288 1.00 54.42 C ATOM 404 C ALA A 26 2.767 0.528 -3.655 1.00 12.21 C ATOM 405 O ALA A 26 2.821 1.712 -4.013 1.00 12.31 O ATOM 406 CB ALA A 26 3.068 -1.135 -5.541 1.00 44.41 C ATOM 0 H ALA A 26 3.695 -2.509 -3.572 1.00 30.04 H new ATOM 0 HA ALA A 26 4.626 -0.005 -4.569 1.00 54.42 H new ATOM 0 HB1 ALA A 26 2.802 -0.340 -6.238 1.00 44.41 H new ATOM 0 HB2 ALA A 26 3.776 -1.813 -6.018 1.00 44.41 H new ATOM 0 HB3 ALA A 26 2.171 -1.686 -5.259 1.00 44.41 H new ATOM 412 N TYR A 27 1.928 0.085 -2.689 1.00 71.40 N ATOM 413 CA TYR A 27 0.953 0.959 -2.001 1.00 34.12 C ATOM 414 C TYR A 27 1.667 1.980 -1.112 1.00 55.50 C ATOM 415 O TYR A 27 1.438 3.168 -1.225 1.00 10.41 O ATOM 416 CB TYR A 27 -0.015 0.129 -1.130 1.00 44.33 C ATOM 417 CG TYR A 27 -1.023 0.967 -0.318 1.00 54.41 C ATOM 418 CD1 TYR A 27 -1.994 1.744 -0.961 1.00 11.32 C ATOM 419 CD2 TYR A 27 -0.981 1.010 1.081 1.00 43.11 C ATOM 420 CE1 TYR A 27 -2.882 2.519 -0.240 1.00 3.34 C ATOM 421 CE2 TYR A 27 -1.867 1.785 1.799 1.00 33.52 C ATOM 422 CZ TYR A 27 -2.814 2.537 1.137 1.00 44.32 C ATOM 423 OH TYR A 27 -3.696 3.312 1.856 1.00 64.30 O ATOM 0 H TYR A 27 1.909 -0.883 -2.367 1.00 71.40 H new ATOM 0 HA TYR A 27 0.387 1.482 -2.772 1.00 34.12 H new ATOM 0 HB2 TYR A 27 -0.567 -0.556 -1.774 1.00 44.33 H new ATOM 0 HB3 TYR A 27 0.569 -0.482 -0.441 1.00 44.33 H new ATOM 0 HD1 TYR A 27 -2.050 1.737 -2.040 1.00 11.32 H new ATOM 0 HD2 TYR A 27 -0.241 0.425 1.607 1.00 43.11 H new ATOM 0 HE1 TYR A 27 -3.627 3.109 -0.753 1.00 3.34 H new ATOM 0 HE2 TYR A 27 -1.819 1.803 2.878 1.00 33.52 H new ATOM 0 HH TYR A 27 -3.515 3.211 2.814 1.00 64.30 H new ATOM 433 N ARG A 28 2.540 1.476 -0.232 1.00 30.44 N ATOM 434 CA ARG A 28 3.246 2.297 0.770 1.00 30.41 C ATOM 435 C ARG A 28 4.280 3.223 0.110 1.00 73.42 C ATOM 436 O ARG A 28 4.714 4.202 0.718 1.00 73.15 O ATOM 437 CB ARG A 28 3.910 1.371 1.831 1.00 31.41 C ATOM 438 CG ARG A 28 5.140 0.573 1.330 1.00 54.15 C ATOM 439 CD ARG A 28 5.706 -0.376 2.404 1.00 34.32 C ATOM 440 NE ARG A 28 5.994 0.332 3.669 1.00 13.42 N ATOM 441 CZ ARG A 28 7.128 0.319 4.327 1.00 41.13 C ATOM 442 NH1 ARG A 28 8.157 -0.339 3.899 1.00 23.33 N ATOM 443 NH2 ARG A 28 7.221 0.979 5.430 1.00 45.43 N ATOM 0 H ARG A 28 2.780 0.486 -0.191 1.00 30.44 H new ATOM 0 HA ARG A 28 2.520 2.939 1.269 1.00 30.41 H new ATOM 0 HB2 ARG A 28 4.214 1.980 2.683 1.00 31.41 H new ATOM 0 HB3 ARG A 28 3.162 0.666 2.194 1.00 31.41 H new ATOM 0 HG2 ARG A 28 4.860 -0.006 0.450 1.00 54.15 H new ATOM 0 HG3 ARG A 28 5.919 1.269 1.019 1.00 54.15 H new ATOM 0 HD2 ARG A 28 4.993 -1.179 2.592 1.00 34.32 H new ATOM 0 HD3 ARG A 28 6.619 -0.841 2.032 1.00 34.32 H new ATOM 0 HE ARG A 28 5.236 0.885 4.069 1.00 13.42 H new ATOM 0 HH11 ARG A 28 8.099 -0.866 3.028 1.00 23.33 H new ATOM 0 HH12 ARG A 28 9.026 -0.330 4.433 1.00 23.33 H new ATOM 0 HH21 ARG A 28 6.419 1.502 5.780 1.00 45.43 H new ATOM 0 HH22 ARG A 28 8.097 0.978 5.953 1.00 45.43 H new ATOM 457 N VAL A 29 4.661 2.902 -1.143 1.00 1.43 N ATOM 458 CA VAL A 29 5.504 3.804 -1.964 1.00 73.43 C ATOM 459 C VAL A 29 4.662 4.972 -2.519 1.00 24.31 C ATOM 460 O VAL A 29 5.012 6.151 -2.343 1.00 33.22 O ATOM 461 CB VAL A 29 6.242 3.043 -3.130 1.00 75.03 C ATOM 462 CG1 VAL A 29 6.933 4.016 -4.128 1.00 13.50 C ATOM 463 CG2 VAL A 29 7.274 2.043 -2.559 1.00 34.11 C ATOM 0 H VAL A 29 4.402 2.032 -1.609 1.00 1.43 H new ATOM 0 HA VAL A 29 6.278 4.205 -1.310 1.00 73.43 H new ATOM 0 HB VAL A 29 5.480 2.496 -3.684 1.00 75.03 H new ATOM 0 HG11 VAL A 29 7.427 3.442 -4.912 1.00 13.50 H new ATOM 0 HG12 VAL A 29 6.185 4.671 -4.574 1.00 13.50 H new ATOM 0 HG13 VAL A 29 7.672 4.617 -3.598 1.00 13.50 H new ATOM 0 HG21 VAL A 29 7.773 1.527 -3.379 1.00 34.11 H new ATOM 0 HG22 VAL A 29 8.013 2.582 -1.966 1.00 34.11 H new ATOM 0 HG23 VAL A 29 6.764 1.314 -1.929 1.00 34.11 H new ATOM 473 N LYS A 30 3.530 4.627 -3.154 1.00 10.24 N ATOM 474 CA LYS A 30 2.620 5.619 -3.774 1.00 53.33 C ATOM 475 C LYS A 30 1.819 6.411 -2.711 1.00 23.02 C ATOM 476 O LYS A 30 1.266 7.457 -3.024 1.00 60.12 O ATOM 477 CB LYS A 30 1.626 4.938 -4.754 1.00 64.44 C ATOM 478 CG LYS A 30 0.514 4.122 -4.067 1.00 64.34 C ATOM 479 CD LYS A 30 -0.484 3.484 -5.051 1.00 52.11 C ATOM 480 CE LYS A 30 -1.330 4.536 -5.788 1.00 34.03 C ATOM 481 NZ LYS A 30 -2.267 3.919 -6.765 1.00 52.14 N ATOM 0 H LYS A 30 3.217 3.662 -3.255 1.00 10.24 H new ATOM 0 HA LYS A 30 3.253 6.314 -4.326 1.00 53.33 H new ATOM 0 HB2 LYS A 30 1.165 5.705 -5.377 1.00 64.44 H new ATOM 0 HB3 LYS A 30 2.184 4.280 -5.420 1.00 64.44 H new ATOM 0 HG2 LYS A 30 0.971 3.336 -3.466 1.00 64.34 H new ATOM 0 HG3 LYS A 30 -0.030 4.772 -3.381 1.00 64.34 H new ATOM 0 HD2 LYS A 30 0.061 2.884 -5.780 1.00 52.11 H new ATOM 0 HD3 LYS A 30 -1.143 2.806 -4.508 1.00 52.11 H new ATOM 0 HE2 LYS A 30 -1.897 5.118 -5.061 1.00 34.03 H new ATOM 0 HE3 LYS A 30 -0.671 5.231 -6.308 1.00 34.03 H new ATOM 0 HZ1 LYS A 30 -2.816 4.665 -7.238 1.00 52.14 H new ATOM 0 HZ2 LYS A 30 -1.726 3.385 -7.475 1.00 52.14 H new ATOM 0 HZ3 LYS A 30 -2.914 3.276 -6.266 1.00 52.14 H new ATOM 495 N ALA A 31 1.734 5.877 -1.469 1.00 72.44 N ATOM 496 CA ALA A 31 1.017 6.531 -0.343 1.00 61.03 C ATOM 497 C ALA A 31 1.961 7.496 0.384 1.00 21.03 C ATOM 498 O ALA A 31 1.541 8.547 0.870 1.00 35.32 O ATOM 499 CB ALA A 31 0.449 5.484 0.628 1.00 12.12 C ATOM 0 H ALA A 31 2.158 4.984 -1.218 1.00 72.44 H new ATOM 0 HA ALA A 31 0.177 7.098 -0.745 1.00 61.03 H new ATOM 0 HB1 ALA A 31 -0.071 5.988 1.443 1.00 12.12 H new ATOM 0 HB2 ALA A 31 -0.249 4.837 0.097 1.00 12.12 H new ATOM 0 HB3 ALA A 31 1.264 4.884 1.033 1.00 12.12 H new ATOM 505 N TYR A 32 3.257 7.125 0.421 1.00 54.42 N ATOM 506 CA TYR A 32 4.339 8.010 0.917 1.00 42.40 C ATOM 507 C TYR A 32 4.562 9.171 -0.069 1.00 5.13 C ATOM 508 O TYR A 32 5.114 10.198 0.279 1.00 3.33 O ATOM 509 CB TYR A 32 5.647 7.199 1.113 1.00 33.34 C ATOM 510 CG TYR A 32 6.796 7.978 1.788 1.00 14.11 C ATOM 511 CD1 TYR A 32 6.795 8.205 3.166 1.00 22.55 C ATOM 512 CD2 TYR A 32 7.865 8.496 1.045 1.00 61.20 C ATOM 513 CE1 TYR A 32 7.813 8.911 3.777 1.00 54.43 C ATOM 514 CE2 TYR A 32 8.880 9.203 1.655 1.00 13.43 C ATOM 515 CZ TYR A 32 8.851 9.409 3.018 1.00 71.12 C ATOM 516 OH TYR A 32 9.866 10.117 3.626 1.00 32.03 O ATOM 0 H TYR A 32 3.585 6.210 0.111 1.00 54.42 H new ATOM 0 HA TYR A 32 4.045 8.425 1.881 1.00 42.40 H new ATOM 0 HB2 TYR A 32 5.424 6.316 1.712 1.00 33.34 H new ATOM 0 HB3 TYR A 32 5.988 6.846 0.140 1.00 33.34 H new ATOM 0 HD1 TYR A 32 5.983 7.821 3.765 1.00 22.55 H new ATOM 0 HD2 TYR A 32 7.895 8.339 -0.023 1.00 61.20 H new ATOM 0 HE1 TYR A 32 7.796 9.072 4.845 1.00 54.43 H new ATOM 0 HE2 TYR A 32 9.696 9.595 1.066 1.00 13.43 H new ATOM 0 HH TYR A 32 10.519 10.397 2.951 1.00 32.03 H new ATOM 526 N ASN A 33 4.148 8.949 -1.314 1.00 10.14 N ATOM 527 CA ASN A 33 4.131 9.971 -2.377 1.00 53.32 C ATOM 528 C ASN A 33 2.848 10.822 -2.312 1.00 61.42 C ATOM 529 O ASN A 33 2.919 12.046 -2.308 1.00 34.03 O ATOM 530 CB ASN A 33 4.250 9.280 -3.752 1.00 0.24 C ATOM 531 CG ASN A 33 4.224 10.251 -4.941 1.00 11.13 C ATOM 532 OD1 ASN A 33 5.254 10.759 -5.370 1.00 41.23 O ATOM 533 ND2 ASN A 33 3.048 10.518 -5.480 1.00 33.32 N ATOM 0 H ASN A 33 3.807 8.040 -1.626 1.00 10.14 H new ATOM 0 HA ASN A 33 4.978 10.641 -2.231 1.00 53.32 H new ATOM 0 HB2 ASN A 33 5.178 8.710 -3.782 1.00 0.24 H new ATOM 0 HB3 ASN A 33 3.434 8.566 -3.861 1.00 0.24 H new ATOM 0 HD21 ASN A 33 2.983 11.159 -6.271 1.00 33.32 H new ATOM 0 HD22 ASN A 33 2.205 10.083 -5.106 1.00 33.32 H new ATOM 540 N SER A 34 1.685 10.146 -2.266 1.00 41.30 N ATOM 541 CA SER A 34 0.351 10.806 -2.365 1.00 1.15 C ATOM 542 C SER A 34 0.045 11.683 -1.140 1.00 13.50 C ATOM 543 O SER A 34 -0.264 12.878 -1.279 1.00 64.40 O ATOM 544 CB SER A 34 -0.772 9.758 -2.548 1.00 51.11 C ATOM 545 OG SER A 34 -2.052 10.372 -2.656 1.00 63.24 O ATOM 0 H SER A 34 1.633 9.133 -2.160 1.00 41.30 H new ATOM 0 HA SER A 34 0.387 11.453 -3.242 1.00 1.15 H new ATOM 0 HB2 SER A 34 -0.576 9.166 -3.442 1.00 51.11 H new ATOM 0 HB3 SER A 34 -0.769 9.070 -1.703 1.00 51.11 H new ATOM 0 HG SER A 34 -2.737 9.681 -2.772 1.00 63.24 H new ATOM 551 N ALA A 35 0.125 11.071 0.060 1.00 21.23 N ATOM 552 CA ALA A 35 -0.107 11.772 1.336 1.00 72.12 C ATOM 553 C ALA A 35 0.907 12.904 1.542 1.00 34.52 C ATOM 554 O ALA A 35 0.539 13.973 2.002 1.00 14.42 O ATOM 555 CB ALA A 35 -0.055 10.799 2.520 1.00 23.35 C ATOM 0 H ALA A 35 0.351 10.082 0.169 1.00 21.23 H new ATOM 0 HA ALA A 35 -1.105 12.207 1.288 1.00 72.12 H new ATOM 0 HB1 ALA A 35 -0.230 11.345 3.447 1.00 23.35 H new ATOM 0 HB2 ALA A 35 -0.824 10.036 2.398 1.00 23.35 H new ATOM 0 HB3 ALA A 35 0.925 10.324 2.558 1.00 23.35 H new ATOM 561 N ALA A 36 2.184 12.658 1.156 1.00 73.20 N ATOM 562 CA ALA A 36 3.267 13.655 1.332 1.00 74.13 C ATOM 563 C ALA A 36 3.101 14.855 0.379 1.00 30.22 C ATOM 564 O ALA A 36 3.258 15.992 0.793 1.00 35.21 O ATOM 565 CB ALA A 36 4.636 13.006 1.138 1.00 75.44 C ATOM 0 H ALA A 36 2.486 11.785 0.724 1.00 73.20 H new ATOM 0 HA ALA A 36 3.198 14.032 2.353 1.00 74.13 H new ATOM 0 HB1 ALA A 36 5.416 13.755 1.272 1.00 75.44 H new ATOM 0 HB2 ALA A 36 4.768 12.210 1.871 1.00 75.44 H new ATOM 0 HB3 ALA A 36 4.702 12.589 0.133 1.00 75.44 H new ATOM 571 N SER A 37 2.760 14.577 -0.897 1.00 74.35 N ATOM 572 CA SER A 37 2.524 15.623 -1.933 1.00 44.32 C ATOM 573 C SER A 37 1.390 16.582 -1.520 1.00 12.12 C ATOM 574 O SER A 37 1.512 17.807 -1.650 1.00 33.52 O ATOM 575 CB SER A 37 2.180 14.974 -3.298 1.00 10.54 C ATOM 576 OG SER A 37 1.875 15.949 -4.289 1.00 44.12 O ATOM 0 H SER A 37 2.639 13.626 -1.244 1.00 74.35 H new ATOM 0 HA SER A 37 3.446 16.197 -2.028 1.00 44.32 H new ATOM 0 HB2 SER A 37 3.021 14.367 -3.633 1.00 10.54 H new ATOM 0 HB3 SER A 37 1.330 14.302 -3.176 1.00 10.54 H new ATOM 0 HG SER A 37 1.665 15.501 -5.135 1.00 44.12 H new ATOM 582 N SER A 38 0.300 15.995 -0.998 1.00 33.21 N ATOM 583 CA SER A 38 -0.894 16.743 -0.560 1.00 71.04 C ATOM 584 C SER A 38 -0.696 17.389 0.817 1.00 72.25 C ATOM 585 O SER A 38 -1.323 18.401 1.108 1.00 11.44 O ATOM 586 CB SER A 38 -2.132 15.818 -0.544 1.00 61.45 C ATOM 587 OG SER A 38 -3.306 16.517 -0.142 1.00 65.40 O ATOM 0 H SER A 38 0.220 14.987 -0.867 1.00 33.21 H new ATOM 0 HA SER A 38 -1.055 17.547 -1.278 1.00 71.04 H new ATOM 0 HB2 SER A 38 -2.283 15.394 -1.537 1.00 61.45 H new ATOM 0 HB3 SER A 38 -1.954 14.984 0.135 1.00 61.45 H new ATOM 0 HG SER A 38 -4.070 15.903 -0.145 1.00 65.40 H new ATOM 593 N ASP A 39 0.161 16.800 1.655 1.00 63.42 N ATOM 594 CA ASP A 39 0.567 17.405 2.944 1.00 0.50 C ATOM 595 C ASP A 39 1.392 18.693 2.711 1.00 33.34 C ATOM 596 O ASP A 39 1.130 19.730 3.320 1.00 21.30 O ATOM 597 CB ASP A 39 1.396 16.390 3.748 1.00 1.43 C ATOM 598 CG ASP A 39 1.834 16.912 5.122 1.00 75.45 C ATOM 599 OD1 ASP A 39 1.027 16.871 6.071 1.00 11.40 O ATOM 600 OD2 ASP A 39 2.986 17.376 5.259 1.00 51.31 O ATOM 0 H ASP A 39 0.595 15.896 1.469 1.00 63.42 H new ATOM 0 HA ASP A 39 -0.330 17.670 3.504 1.00 0.50 H new ATOM 0 HB2 ASP A 39 0.811 15.480 3.883 1.00 1.43 H new ATOM 0 HB3 ASP A 39 2.281 16.118 3.172 1.00 1.43 H new ATOM 605 N LEU A 40 2.376 18.602 1.800 1.00 15.13 N ATOM 606 CA LEU A 40 3.304 19.713 1.488 1.00 2.10 C ATOM 607 C LEU A 40 2.581 20.828 0.704 1.00 20.44 C ATOM 608 O LEU A 40 2.901 22.016 0.839 1.00 42.22 O ATOM 609 CB LEU A 40 4.529 19.178 0.699 1.00 10.14 C ATOM 610 CG LEU A 40 5.433 18.134 1.447 1.00 44.43 C ATOM 611 CD1 LEU A 40 6.556 17.590 0.529 1.00 71.21 C ATOM 612 CD2 LEU A 40 6.020 18.716 2.758 1.00 23.23 C ATOM 0 H LEU A 40 2.554 17.757 1.257 1.00 15.13 H new ATOM 0 HA LEU A 40 3.659 20.145 2.423 1.00 2.10 H new ATOM 0 HB2 LEU A 40 4.170 18.722 -0.223 1.00 10.14 H new ATOM 0 HB3 LEU A 40 5.150 20.027 0.414 1.00 10.14 H new ATOM 0 HG LEU A 40 4.791 17.296 1.718 1.00 44.43 H new ATOM 0 HD11 LEU A 40 7.161 16.871 1.081 1.00 71.21 H new ATOM 0 HD12 LEU A 40 6.112 17.101 -0.338 1.00 71.21 H new ATOM 0 HD13 LEU A 40 7.186 18.415 0.197 1.00 71.21 H new ATOM 0 HD21 LEU A 40 6.639 17.963 3.245 1.00 23.23 H new ATOM 0 HD22 LEU A 40 6.627 19.591 2.528 1.00 23.23 H new ATOM 0 HD23 LEU A 40 5.207 19.004 3.424 1.00 23.23 H new ATOM 624 N ARG A 41 1.588 20.424 -0.109 1.00 73.42 N ATOM 625 CA ARG A 41 0.701 21.361 -0.821 1.00 73.22 C ATOM 626 C ARG A 41 -0.309 21.998 0.164 1.00 52.12 C ATOM 627 O ARG A 41 -0.710 23.150 -0.008 1.00 13.12 O ATOM 628 CB ARG A 41 -0.038 20.622 -1.964 1.00 61.40 C ATOM 629 CG ARG A 41 -0.964 21.518 -2.808 1.00 64.35 C ATOM 630 CD ARG A 41 -1.676 20.742 -3.928 1.00 43.10 C ATOM 631 NE ARG A 41 -2.485 19.633 -3.389 1.00 73.23 N ATOM 632 CZ ARG A 41 -2.691 18.486 -3.979 1.00 54.42 C ATOM 633 NH1 ARG A 41 -2.192 18.221 -5.149 1.00 50.31 N ATOM 634 NH2 ARG A 41 -3.409 17.589 -3.383 1.00 72.22 N ATOM 0 H ARG A 41 1.379 19.442 -0.290 1.00 73.42 H new ATOM 0 HA ARG A 41 1.302 22.160 -1.255 1.00 73.22 H new ATOM 0 HB2 ARG A 41 0.701 20.163 -2.621 1.00 61.40 H new ATOM 0 HB3 ARG A 41 -0.629 19.813 -1.535 1.00 61.40 H new ATOM 0 HG2 ARG A 41 -1.709 21.978 -2.159 1.00 64.35 H new ATOM 0 HG3 ARG A 41 -0.380 22.327 -3.246 1.00 64.35 H new ATOM 0 HD2 ARG A 41 -2.317 21.420 -4.491 1.00 43.10 H new ATOM 0 HD3 ARG A 41 -0.937 20.349 -4.626 1.00 43.10 H new ATOM 0 HE ARG A 41 -2.921 19.774 -2.478 1.00 73.23 H new ATOM 0 HH11 ARG A 41 -1.623 18.917 -5.630 1.00 50.31 H new ATOM 0 HH12 ARG A 41 -2.369 17.317 -5.586 1.00 50.31 H new ATOM 0 HH21 ARG A 41 -3.806 17.782 -2.464 1.00 72.22 H new ATOM 0 HH22 ARG A 41 -3.578 16.689 -3.833 1.00 72.22 H new ATOM 648 N ASN A 42 -0.706 21.232 1.205 1.00 33.42 N ATOM 649 CA ASN A 42 -1.565 21.747 2.301 1.00 70.33 C ATOM 650 C ASN A 42 -0.804 22.779 3.169 1.00 34.42 C ATOM 651 O ASN A 42 -1.412 23.712 3.697 1.00 14.32 O ATOM 652 CB ASN A 42 -2.101 20.582 3.172 1.00 42.42 C ATOM 653 CG ASN A 42 -3.189 21.008 4.161 1.00 24.13 C ATOM 654 OD1 ASN A 42 -2.918 21.346 5.309 1.00 64.31 O ATOM 655 ND2 ASN A 42 -4.432 21.009 3.722 1.00 35.12 N ATOM 0 H ASN A 42 -0.445 20.252 1.311 1.00 33.42 H new ATOM 0 HA ASN A 42 -2.417 22.255 1.849 1.00 70.33 H new ATOM 0 HB2 ASN A 42 -2.499 19.805 2.520 1.00 42.42 H new ATOM 0 HB3 ASN A 42 -1.272 20.141 3.725 1.00 42.42 H new ATOM 0 HD21 ASN A 42 -5.191 21.295 4.341 1.00 35.12 H new ATOM 0 HD22 ASN A 42 -4.635 20.724 2.764 1.00 35.12 H new ATOM 662 N LEU A 43 0.530 22.609 3.296 1.00 63.20 N ATOM 663 CA LEU A 43 1.413 23.601 3.963 1.00 5.15 C ATOM 664 C LEU A 43 1.468 24.912 3.142 1.00 71.33 C ATOM 665 O LEU A 43 1.492 26.012 3.704 1.00 2.55 O ATOM 666 CB LEU A 43 2.856 23.045 4.122 1.00 64.13 C ATOM 667 CG LEU A 43 3.031 21.764 5.000 1.00 75.25 C ATOM 668 CD1 LEU A 43 4.497 21.274 4.992 1.00 63.44 C ATOM 669 CD2 LEU A 43 2.527 21.990 6.445 1.00 4.21 C ATOM 0 H LEU A 43 1.025 21.790 2.944 1.00 63.20 H new ATOM 0 HA LEU A 43 0.997 23.802 4.950 1.00 5.15 H new ATOM 0 HB2 LEU A 43 3.247 22.830 3.128 1.00 64.13 H new ATOM 0 HB3 LEU A 43 3.478 23.834 4.546 1.00 64.13 H new ATOM 0 HG LEU A 43 2.415 20.981 4.557 1.00 75.25 H new ATOM 0 HD11 LEU A 43 4.586 20.382 5.612 1.00 63.44 H new ATOM 0 HD12 LEU A 43 4.796 21.038 3.971 1.00 63.44 H new ATOM 0 HD13 LEU A 43 5.144 22.057 5.388 1.00 63.44 H new ATOM 0 HD21 LEU A 43 2.665 21.078 7.025 1.00 4.21 H new ATOM 0 HD22 LEU A 43 3.092 22.801 6.905 1.00 4.21 H new ATOM 0 HD23 LEU A 43 1.469 22.251 6.425 1.00 4.21 H new ATOM 681 N LYS A 44 1.466 24.759 1.803 1.00 60.55 N ATOM 682 CA LYS A 44 1.583 25.878 0.853 1.00 61.01 C ATOM 683 C LYS A 44 0.282 26.690 0.826 1.00 53.53 C ATOM 684 O LYS A 44 0.314 27.908 0.931 1.00 50.22 O ATOM 685 CB LYS A 44 1.915 25.323 -0.559 1.00 14.01 C ATOM 686 CG LYS A 44 1.944 26.367 -1.711 1.00 34.30 C ATOM 687 CD LYS A 44 2.991 27.492 -1.522 1.00 4.41 C ATOM 688 CE LYS A 44 4.439 26.981 -1.532 1.00 34.42 C ATOM 689 NZ LYS A 44 5.418 28.083 -1.322 1.00 22.44 N ATOM 0 H LYS A 44 1.383 23.849 1.350 1.00 60.55 H new ATOM 0 HA LYS A 44 2.388 26.541 1.171 1.00 61.01 H new ATOM 0 HB2 LYS A 44 2.887 24.832 -0.516 1.00 14.01 H new ATOM 0 HB3 LYS A 44 1.181 24.556 -0.808 1.00 14.01 H new ATOM 0 HG2 LYS A 44 2.147 25.851 -2.649 1.00 34.30 H new ATOM 0 HG3 LYS A 44 0.956 26.818 -1.803 1.00 34.30 H new ATOM 0 HD2 LYS A 44 2.868 28.230 -2.314 1.00 4.41 H new ATOM 0 HD3 LYS A 44 2.800 28.002 -0.578 1.00 4.41 H new ATOM 0 HE2 LYS A 44 4.564 26.230 -0.752 1.00 34.42 H new ATOM 0 HE3 LYS A 44 4.644 26.490 -2.483 1.00 34.42 H new ATOM 0 HZ1 LYS A 44 6.384 27.697 -1.335 1.00 22.44 H new ATOM 0 HZ2 LYS A 44 5.316 28.787 -2.081 1.00 22.44 H new ATOM 0 HZ3 LYS A 44 5.239 28.536 -0.403 1.00 22.44 H new ATOM 703 N THR A 45 -0.856 25.975 0.716 1.00 1.15 N ATOM 704 CA THR A 45 -2.208 26.581 0.620 1.00 63.30 C ATOM 705 C THR A 45 -2.616 27.264 1.941 1.00 60.41 C ATOM 706 O THR A 45 -3.363 28.252 1.947 1.00 41.01 O ATOM 707 CB THR A 45 -3.275 25.504 0.203 1.00 1.44 C ATOM 708 OG1 THR A 45 -4.438 26.146 -0.354 1.00 4.34 O ATOM 709 CG2 THR A 45 -3.723 24.593 1.366 1.00 24.02 C ATOM 0 H THR A 45 -0.867 24.955 0.691 1.00 1.15 H new ATOM 0 HA THR A 45 -2.170 27.348 -0.154 1.00 63.30 H new ATOM 0 HB THR A 45 -2.785 24.871 -0.537 1.00 1.44 H new ATOM 0 HG1 THR A 45 -5.095 25.466 -0.612 1.00 4.34 H new ATOM 0 HG21 THR A 45 -4.459 23.876 1.003 1.00 24.02 H new ATOM 0 HG22 THR A 45 -2.860 24.058 1.763 1.00 24.02 H new ATOM 0 HG23 THR A 45 -4.167 25.201 2.154 1.00 24.02 H new ATOM 717 N ALA A 46 -2.112 26.702 3.056 1.00 74.31 N ATOM 718 CA ALA A 46 -2.274 27.275 4.403 1.00 3.23 C ATOM 719 C ALA A 46 -1.536 28.624 4.510 1.00 70.10 C ATOM 720 O ALA A 46 -2.135 29.630 4.890 1.00 3.41 O ATOM 721 CB ALA A 46 -1.775 26.285 5.472 1.00 73.20 C ATOM 0 H ALA A 46 -1.578 25.833 3.046 1.00 74.31 H new ATOM 0 HA ALA A 46 -3.334 27.457 4.578 1.00 3.23 H new ATOM 0 HB1 ALA A 46 -1.902 26.724 6.462 1.00 73.20 H new ATOM 0 HB2 ALA A 46 -2.349 25.361 5.409 1.00 73.20 H new ATOM 0 HB3 ALA A 46 -0.720 26.069 5.303 1.00 73.20 H new ATOM 727 N LEU A 47 -0.239 28.624 4.139 1.00 44.33 N ATOM 728 CA LEU A 47 0.607 29.844 4.105 1.00 70.20 C ATOM 729 C LEU A 47 0.143 30.858 3.027 1.00 25.20 C ATOM 730 O LEU A 47 0.361 32.061 3.182 1.00 11.13 O ATOM 731 CB LEU A 47 2.097 29.460 3.870 1.00 62.50 C ATOM 732 CG LEU A 47 2.813 28.719 5.050 1.00 23.02 C ATOM 733 CD1 LEU A 47 4.226 28.232 4.641 1.00 41.43 C ATOM 734 CD2 LEU A 47 2.876 29.616 6.319 1.00 24.33 C ATOM 0 H LEU A 47 0.256 27.779 3.853 1.00 44.33 H new ATOM 0 HA LEU A 47 0.503 30.332 5.074 1.00 70.20 H new ATOM 0 HB2 LEU A 47 2.152 28.828 2.984 1.00 62.50 H new ATOM 0 HB3 LEU A 47 2.655 30.370 3.648 1.00 62.50 H new ATOM 0 HG LEU A 47 2.219 27.837 5.291 1.00 23.02 H new ATOM 0 HD11 LEU A 47 4.693 27.723 5.484 1.00 41.43 H new ATOM 0 HD12 LEU A 47 4.144 27.543 3.800 1.00 41.43 H new ATOM 0 HD13 LEU A 47 4.836 29.088 4.351 1.00 41.43 H new ATOM 0 HD21 LEU A 47 3.378 29.076 7.122 1.00 24.33 H new ATOM 0 HD22 LEU A 47 3.430 30.527 6.093 1.00 24.33 H new ATOM 0 HD23 LEU A 47 1.865 29.874 6.633 1.00 24.33 H new ATOM 746 N GLU A 48 -0.492 30.364 1.944 1.00 51.31 N ATOM 747 CA GLU A 48 -0.986 31.181 0.832 1.00 21.22 C ATOM 748 C GLU A 48 -2.217 32.002 1.252 1.00 10.02 C ATOM 749 O GLU A 48 -2.239 33.225 1.105 1.00 55.31 O ATOM 750 CB GLU A 48 -1.331 30.220 -0.337 1.00 42.23 C ATOM 751 CG GLU A 48 -1.857 30.873 -1.613 1.00 14.33 C ATOM 752 CD GLU A 48 -0.837 31.812 -2.283 1.00 45.35 C ATOM 753 OE1 GLU A 48 0.144 31.312 -2.870 1.00 3.31 O ATOM 754 OE2 GLU A 48 -0.998 33.049 -2.214 1.00 72.32 O ATOM 0 H GLU A 48 -0.676 29.368 1.822 1.00 51.31 H new ATOM 0 HA GLU A 48 -0.224 31.896 0.522 1.00 21.22 H new ATOM 0 HB2 GLU A 48 -0.436 29.650 -0.587 1.00 42.23 H new ATOM 0 HB3 GLU A 48 -2.076 29.506 0.015 1.00 42.23 H new ATOM 0 HG2 GLU A 48 -2.142 30.094 -2.320 1.00 14.33 H new ATOM 0 HG3 GLU A 48 -2.760 31.437 -1.379 1.00 14.33 H new ATOM 761 N SER A 49 -3.225 31.298 1.798 1.00 33.41 N ATOM 762 CA SER A 49 -4.479 31.917 2.284 1.00 2.21 C ATOM 763 C SER A 49 -4.230 32.808 3.526 1.00 74.15 C ATOM 764 O SER A 49 -4.883 33.844 3.698 1.00 52.40 O ATOM 765 CB SER A 49 -5.520 30.820 2.610 1.00 21.42 C ATOM 766 OG SER A 49 -6.748 31.374 3.074 1.00 34.23 O ATOM 0 H SER A 49 -3.197 30.285 1.916 1.00 33.41 H new ATOM 0 HA SER A 49 -4.867 32.556 1.491 1.00 2.21 H new ATOM 0 HB2 SER A 49 -5.706 30.220 1.719 1.00 21.42 H new ATOM 0 HB3 SER A 49 -5.115 30.149 3.368 1.00 21.42 H new ATOM 0 HG SER A 49 -7.380 30.651 3.268 1.00 34.23 H new ATOM 772 N ALA A 50 -3.270 32.382 4.380 1.00 22.22 N ATOM 773 CA ALA A 50 -2.859 33.138 5.586 1.00 63.20 C ATOM 774 C ALA A 50 -2.186 34.473 5.215 1.00 63.14 C ATOM 775 O ALA A 50 -2.582 35.519 5.713 1.00 51.31 O ATOM 776 CB ALA A 50 -1.916 32.298 6.465 1.00 14.01 C ATOM 0 H ALA A 50 -2.760 31.508 4.253 1.00 22.22 H new ATOM 0 HA ALA A 50 -3.763 33.360 6.152 1.00 63.20 H new ATOM 0 HB1 ALA A 50 -1.628 32.875 7.344 1.00 14.01 H new ATOM 0 HB2 ALA A 50 -2.426 31.388 6.779 1.00 14.01 H new ATOM 0 HB3 ALA A 50 -1.025 32.036 5.895 1.00 14.01 H new ATOM 782 N PHE A 51 -1.162 34.417 4.330 1.00 61.43 N ATOM 783 CA PHE A 51 -0.394 35.617 3.888 1.00 72.21 C ATOM 784 C PHE A 51 -1.243 36.512 2.945 1.00 11.11 C ATOM 785 O PHE A 51 -0.975 37.711 2.814 1.00 14.23 O ATOM 786 CB PHE A 51 0.940 35.179 3.220 1.00 44.12 C ATOM 787 CG PHE A 51 1.901 36.327 2.837 1.00 42.55 C ATOM 788 CD1 PHE A 51 2.642 36.997 3.813 1.00 21.54 C ATOM 789 CD2 PHE A 51 2.067 36.724 1.504 1.00 21.31 C ATOM 790 CE1 PHE A 51 3.513 38.019 3.473 1.00 3.25 C ATOM 791 CE2 PHE A 51 2.938 37.746 1.168 1.00 61.33 C ATOM 792 CZ PHE A 51 3.660 38.393 2.150 1.00 64.33 C ATOM 0 H PHE A 51 -0.843 33.548 3.902 1.00 61.43 H new ATOM 0 HA PHE A 51 -0.153 36.220 4.764 1.00 72.21 H new ATOM 0 HB2 PHE A 51 1.461 34.504 3.898 1.00 44.12 H new ATOM 0 HB3 PHE A 51 0.706 34.609 2.321 1.00 44.12 H new ATOM 0 HD1 PHE A 51 2.534 36.714 4.850 1.00 21.54 H new ATOM 0 HD2 PHE A 51 1.507 36.225 0.727 1.00 21.31 H new ATOM 0 HE1 PHE A 51 4.078 38.524 4.242 1.00 3.25 H new ATOM 0 HE2 PHE A 51 3.053 38.038 0.135 1.00 61.33 H new ATOM 0 HZ PHE A 51 4.339 39.190 1.886 1.00 64.33 H new ATOM 802 N ALA A 52 -2.277 35.917 2.307 1.00 44.54 N ATOM 803 CA ALA A 52 -3.296 36.677 1.536 1.00 10.54 C ATOM 804 C ALA A 52 -4.129 37.584 2.475 1.00 70.33 C ATOM 805 O ALA A 52 -4.397 38.749 2.161 1.00 21.55 O ATOM 806 CB ALA A 52 -4.209 35.714 0.751 1.00 64.23 C ATOM 0 H ALA A 52 -2.431 34.909 2.309 1.00 44.54 H new ATOM 0 HA ALA A 52 -2.779 37.316 0.820 1.00 10.54 H new ATOM 0 HB1 ALA A 52 -4.949 36.288 0.193 1.00 64.23 H new ATOM 0 HB2 ALA A 52 -3.607 35.126 0.058 1.00 64.23 H new ATOM 0 HB3 ALA A 52 -4.717 35.046 1.447 1.00 64.23 H new ATOM 812 N ASP A 53 -4.525 37.024 3.636 1.00 22.45 N ATOM 813 CA ASP A 53 -5.179 37.777 4.735 1.00 61.30 C ATOM 814 C ASP A 53 -4.140 38.673 5.486 1.00 72.34 C ATOM 815 O ASP A 53 -4.493 39.709 6.055 1.00 51.02 O ATOM 816 CB ASP A 53 -5.847 36.764 5.702 1.00 23.31 C ATOM 817 CG ASP A 53 -6.554 37.412 6.902 1.00 12.14 C ATOM 818 OD1 ASP A 53 -7.542 38.146 6.695 1.00 75.34 O ATOM 819 OD2 ASP A 53 -6.119 37.197 8.054 1.00 45.02 O ATOM 0 H ASP A 53 -4.401 36.033 3.842 1.00 22.45 H new ATOM 0 HA ASP A 53 -5.941 38.440 4.325 1.00 61.30 H new ATOM 0 HB2 ASP A 53 -6.572 36.170 5.145 1.00 23.31 H new ATOM 0 HB3 ASP A 53 -5.087 36.075 6.071 1.00 23.31 H new ATOM 824 N ASP A 54 -2.867 38.226 5.452 1.00 11.10 N ATOM 825 CA ASP A 54 -1.675 38.892 6.033 1.00 71.13 C ATOM 826 C ASP A 54 -1.655 38.955 7.585 1.00 13.01 C ATOM 827 O ASP A 54 -2.556 39.503 8.222 1.00 41.22 O ATOM 828 CB ASP A 54 -1.445 40.298 5.435 1.00 13.45 C ATOM 829 CG ASP A 54 -0.191 40.977 6.016 1.00 72.20 C ATOM 830 OD1 ASP A 54 0.915 40.402 5.876 1.00 30.11 O ATOM 831 OD2 ASP A 54 -0.306 42.043 6.656 1.00 32.23 O ATOM 0 H ASP A 54 -2.627 37.346 4.996 1.00 11.10 H new ATOM 0 HA ASP A 54 -0.846 38.244 5.748 1.00 71.13 H new ATOM 0 HB2 ASP A 54 -1.345 40.219 4.352 1.00 13.45 H new ATOM 0 HB3 ASP A 54 -2.318 40.922 5.630 1.00 13.45 H new ATOM 836 N GLN A 55 -0.575 38.404 8.166 1.00 3.13 N ATOM 837 CA GLN A 55 -0.240 38.533 9.605 1.00 2.03 C ATOM 838 C GLN A 55 1.257 38.921 9.759 1.00 34.01 C ATOM 839 O GLN A 55 1.836 38.785 10.841 1.00 40.01 O ATOM 840 CB GLN A 55 -0.540 37.207 10.387 1.00 11.12 C ATOM 841 CG GLN A 55 -1.956 36.602 10.164 1.00 23.35 C ATOM 842 CD GLN A 55 -2.036 35.522 9.068 1.00 11.34 C ATOM 843 OE1 GLN A 55 -2.913 34.672 9.096 1.00 74.54 O ATOM 844 NE2 GLN A 55 -1.111 35.508 8.124 1.00 13.33 N ATOM 0 H GLN A 55 0.103 37.847 7.646 1.00 3.13 H new ATOM 0 HA GLN A 55 -0.866 39.316 10.032 1.00 2.03 H new ATOM 0 HB2 GLN A 55 0.203 36.462 10.102 1.00 11.12 H new ATOM 0 HB3 GLN A 55 -0.409 37.397 11.452 1.00 11.12 H new ATOM 0 HG2 GLN A 55 -2.303 36.172 11.103 1.00 23.35 H new ATOM 0 HG3 GLN A 55 -2.644 37.409 9.909 1.00 23.35 H new ATOM 0 HE21 GLN A 55 -0.384 36.223 8.112 1.00 13.33 H new ATOM 0 HE22 GLN A 55 -1.124 34.782 7.408 1.00 13.33 H new ATOM 853 N THR A 56 1.866 39.413 8.655 1.00 54.40 N ATOM 854 CA THR A 56 3.294 39.831 8.611 1.00 40.31 C ATOM 855 C THR A 56 3.420 41.356 8.826 1.00 10.45 C ATOM 856 O THR A 56 4.154 41.809 9.712 1.00 22.43 O ATOM 857 CB THR A 56 3.960 39.441 7.235 1.00 33.22 C ATOM 858 OG1 THR A 56 3.842 38.021 7.017 1.00 23.15 O ATOM 859 CG2 THR A 56 5.454 39.834 7.158 1.00 25.43 C ATOM 0 H THR A 56 1.382 39.533 7.765 1.00 54.40 H new ATOM 0 HA THR A 56 3.814 39.308 9.413 1.00 40.31 H new ATOM 0 HB THR A 56 3.429 39.998 6.463 1.00 33.22 H new ATOM 0 HG1 THR A 56 3.612 37.852 6.079 1.00 23.15 H new ATOM 0 HG21 THR A 56 5.858 39.541 6.189 1.00 25.43 H new ATOM 0 HG22 THR A 56 5.553 40.912 7.281 1.00 25.43 H new ATOM 0 HG23 THR A 56 6.005 39.326 7.949 1.00 25.43 H new ATOM 867 N TYR A 57 2.689 42.136 7.999 1.00 40.13 N ATOM 868 CA TYR A 57 2.688 43.624 8.063 1.00 41.31 C ATOM 869 C TYR A 57 1.646 44.113 9.106 1.00 52.34 C ATOM 870 O TYR A 57 0.646 43.419 9.328 1.00 23.25 O ATOM 871 CB TYR A 57 2.352 44.229 6.665 1.00 61.15 C ATOM 872 CG TYR A 57 3.198 43.672 5.506 1.00 23.33 C ATOM 873 CD1 TYR A 57 4.522 44.074 5.305 1.00 73.34 C ATOM 874 CD2 TYR A 57 2.671 42.732 4.617 1.00 34.13 C ATOM 875 CE1 TYR A 57 5.270 43.568 4.258 1.00 21.33 C ATOM 876 CE2 TYR A 57 3.412 42.224 3.579 1.00 53.33 C ATOM 877 CZ TYR A 57 4.709 42.638 3.401 1.00 5.44 C ATOM 878 OH TYR A 57 5.447 42.127 2.355 1.00 70.22 O ATOM 0 H TYR A 57 2.084 41.759 7.270 1.00 40.13 H new ATOM 0 HA TYR A 57 3.682 43.957 8.363 1.00 41.31 H new ATOM 0 HB2 TYR A 57 1.299 44.048 6.449 1.00 61.15 H new ATOM 0 HB3 TYR A 57 2.487 45.310 6.709 1.00 61.15 H new ATOM 0 HD1 TYR A 57 4.968 44.791 5.978 1.00 73.34 H new ATOM 0 HD2 TYR A 57 1.653 42.396 4.750 1.00 34.13 H new ATOM 0 HE1 TYR A 57 6.288 43.897 4.110 1.00 21.33 H new ATOM 0 HE2 TYR A 57 2.976 41.501 2.905 1.00 53.33 H new ATOM 0 HH TYR A 57 4.902 41.486 1.853 1.00 70.22 H new ATOM 888 N PRO A 58 1.874 45.292 9.790 1.00 33.01 N ATOM 889 CA PRO A 58 0.864 45.910 10.706 1.00 61.51 C ATOM 890 C PRO A 58 -0.547 46.059 10.053 1.00 35.33 C ATOM 891 O PRO A 58 -0.635 46.544 8.919 1.00 3.53 O ATOM 892 CB PRO A 58 1.482 47.301 11.014 1.00 70.20 C ATOM 893 CG PRO A 58 2.957 47.074 10.907 1.00 24.52 C ATOM 894 CD PRO A 58 3.127 46.089 9.764 1.00 63.13 C ATOM 0 HA PRO A 58 0.684 45.296 11.589 1.00 61.51 H new ATOM 0 HB2 PRO A 58 1.142 48.055 10.304 1.00 70.20 H new ATOM 0 HB3 PRO A 58 1.203 47.650 12.008 1.00 70.20 H new ATOM 0 HG2 PRO A 58 3.485 48.006 10.705 1.00 24.52 H new ATOM 0 HG3 PRO A 58 3.362 46.673 11.836 1.00 24.52 H new ATOM 0 HD2 PRO A 58 3.255 46.602 8.811 1.00 63.13 H new ATOM 0 HD3 PRO A 58 4.005 45.459 9.907 1.00 63.13 H new ATOM 902 N PRO A 59 -1.666 45.659 10.756 1.00 63.21 N ATOM 903 CA PRO A 59 -3.031 45.645 10.160 1.00 51.12 C ATOM 904 C PRO A 59 -3.509 47.052 9.721 1.00 14.33 C ATOM 905 O PRO A 59 -3.808 47.897 10.571 1.00 71.22 O ATOM 906 CB PRO A 59 -3.932 45.060 11.297 1.00 44.03 C ATOM 907 CG PRO A 59 -2.973 44.384 12.236 1.00 73.44 C ATOM 908 CD PRO A 59 -1.696 45.196 12.171 1.00 54.50 C ATOM 0 HA PRO A 59 -3.066 45.055 9.244 1.00 51.12 H new ATOM 0 HB2 PRO A 59 -4.492 45.847 11.802 1.00 44.03 H new ATOM 0 HB3 PRO A 59 -4.661 44.354 10.900 1.00 44.03 H new ATOM 0 HG2 PRO A 59 -3.370 44.359 13.251 1.00 73.44 H new ATOM 0 HG3 PRO A 59 -2.796 43.351 11.938 1.00 73.44 H new ATOM 0 HD2 PRO A 59 -1.714 46.033 12.869 1.00 54.50 H new ATOM 0 HD3 PRO A 59 -0.822 44.594 12.417 1.00 54.50 H new ATOM 916 N GLU A 60 -3.536 47.301 8.388 1.00 21.12 N ATOM 917 CA GLU A 60 -3.956 48.600 7.818 1.00 24.51 C ATOM 918 C GLU A 60 -5.420 48.951 8.209 1.00 53.42 C ATOM 919 O GLU A 60 -5.732 50.116 8.482 1.00 61.51 O ATOM 920 CB GLU A 60 -3.787 48.595 6.275 1.00 74.42 C ATOM 921 CG GLU A 60 -4.176 49.924 5.592 1.00 24.11 C ATOM 922 CD GLU A 60 -3.935 49.930 4.076 1.00 62.41 C ATOM 923 OE1 GLU A 60 -4.717 49.299 3.337 1.00 20.43 O ATOM 924 OE2 GLU A 60 -2.970 50.570 3.612 1.00 13.41 O ATOM 0 H GLU A 60 -3.269 46.611 7.685 1.00 21.12 H new ATOM 0 HA GLU A 60 -3.311 49.371 8.238 1.00 24.51 H new ATOM 0 HB2 GLU A 60 -2.749 48.366 6.035 1.00 74.42 H new ATOM 0 HB3 GLU A 60 -4.395 47.793 5.857 1.00 74.42 H new ATOM 0 HG2 GLU A 60 -5.229 50.127 5.785 1.00 24.11 H new ATOM 0 HG3 GLU A 60 -3.607 50.736 6.045 1.00 24.11 H new ATOM 931 N SER A 61 -6.296 47.923 8.254 1.00 14.10 N ATOM 932 CA SER A 61 -7.694 48.065 8.741 1.00 22.45 C ATOM 933 C SER A 61 -7.739 48.011 10.300 1.00 43.12 C ATOM 934 O SER A 61 -7.432 46.942 10.880 1.00 41.20 O ATOM 935 CB SER A 61 -8.614 46.978 8.113 1.00 3.34 C ATOM 936 OG SER A 61 -8.173 45.653 8.387 1.00 64.13 O ATOM 937 OXT SER A 61 -8.055 49.039 10.935 1.00 38.84 O ATOM 0 H SER A 61 -6.060 46.976 7.957 1.00 14.10 H new ATOM 0 HA SER A 61 -8.070 49.038 8.426 1.00 22.45 H new ATOM 0 HB2 SER A 61 -9.628 47.104 8.493 1.00 3.34 H new ATOM 0 HB3 SER A 61 -8.657 47.125 7.034 1.00 3.34 H new ATOM 0 HG SER A 61 -7.739 45.628 9.265 1.00 64.13 H new TER 943 SER A 61