USER MOD reduce.3.24.130724 H: found=0, std=0, add=419, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 417 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 49 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 51 THR OG1 : rot 66:sc= 0.312 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 179:sc= 0.375 (180deg=0.375) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 165:sc= -0.0119 (180deg=-0.192) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= -1.05 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 153:sc= 0.0531 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -0.0666 K(o=-0.067,f=-2.6!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.0206 X(o=-0.021,f=-0.021) USER MOD Single : A 37 ASN : amide:sc= 0.0828 X(o=0.083,f=-0.0075) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.350 -0.341 -19.577 1.00 3.32 N ATOM 2 CA MET A 1 -11.553 -1.162 -19.502 1.00 74.22 C ATOM 3 C MET A 1 -11.206 -2.645 -19.576 1.00 73.40 C ATOM 4 O MET A 1 -10.333 -3.052 -20.342 1.00 50.13 O ATOM 5 CB MET A 1 -12.518 -0.795 -20.632 1.00 32.55 C ATOM 6 CG MET A 1 -13.060 0.622 -20.532 1.00 15.35 C ATOM 7 SD MET A 1 -14.655 0.815 -21.351 1.00 21.01 S ATOM 8 CE MET A 1 -15.767 0.268 -20.058 1.00 55.34 C ATOM 0 H1 MET A 1 -10.613 0.665 -19.542 1.00 3.32 H new ATOM 0 H2 MET A 1 -9.727 -0.564 -18.775 1.00 3.32 H new ATOM 0 H3 MET A 1 -9.851 -0.537 -20.468 1.00 3.32 H new ATOM 0 HA MET A 1 -12.035 -0.968 -18.544 1.00 74.22 H new ATOM 0 HB2 MET A 1 -12.007 -0.913 -21.588 1.00 32.55 H new ATOM 0 HB3 MET A 1 -13.353 -1.496 -20.628 1.00 32.55 H new ATOM 0 HG2 MET A 1 -13.160 0.895 -19.482 1.00 15.35 H new ATOM 0 HG3 MET A 1 -12.343 1.313 -20.974 1.00 15.35 H new ATOM 0 HE1 MET A 1 -16.796 0.329 -20.413 1.00 55.34 H new ATOM 0 HE2 MET A 1 -15.536 -0.763 -19.791 1.00 55.34 H new ATOM 0 HE3 MET A 1 -15.647 0.905 -19.182 1.00 55.34 H new ATOM 18 N THR A 2 -11.896 -3.451 -18.773 1.00 10.15 N ATOM 19 CA THR A 2 -11.659 -4.889 -18.747 1.00 20.41 C ATOM 20 C THR A 2 -12.819 -5.648 -19.379 1.00 2.24 C ATOM 21 O THR A 2 -13.954 -5.574 -18.908 1.00 31.53 O ATOM 22 CB THR A 2 -11.451 -5.396 -17.308 1.00 61.45 C ATOM 23 OG1 THR A 2 -10.385 -4.674 -16.682 1.00 34.53 O ATOM 24 CG2 THR A 2 -11.136 -6.885 -17.301 1.00 12.34 C ATOM 0 H THR A 2 -12.623 -3.132 -18.133 1.00 10.15 H new ATOM 0 HA THR A 2 -10.752 -5.072 -19.324 1.00 20.41 H new ATOM 0 HB THR A 2 -12.374 -5.232 -16.751 1.00 61.45 H new ATOM 0 HG1 THR A 2 -10.261 -5.002 -15.767 1.00 34.53 H new ATOM 0 HG21 THR A 2 -10.993 -7.222 -16.274 1.00 12.34 H new ATOM 0 HG22 THR A 2 -11.963 -7.434 -17.751 1.00 12.34 H new ATOM 0 HG23 THR A 2 -10.226 -7.067 -17.873 1.00 12.34 H new ATOM 32 N PHE A 3 -12.528 -6.379 -20.450 1.00 71.13 N ATOM 33 CA PHE A 3 -13.549 -7.153 -21.148 1.00 5.34 C ATOM 34 C PHE A 3 -13.103 -8.601 -21.329 1.00 31.35 C ATOM 35 O PHE A 3 -11.952 -8.947 -21.063 1.00 14.10 O ATOM 36 CB PHE A 3 -13.850 -6.526 -22.511 1.00 13.42 C ATOM 37 CG PHE A 3 -14.436 -5.146 -22.420 1.00 61.41 C ATOM 38 CD1 PHE A 3 -13.744 -4.052 -22.911 1.00 3.30 C ATOM 39 CD2 PHE A 3 -15.679 -4.944 -21.840 1.00 14.50 C ATOM 40 CE1 PHE A 3 -14.281 -2.781 -22.829 1.00 51.03 C ATOM 41 CE2 PHE A 3 -16.221 -3.675 -21.756 1.00 61.42 C ATOM 42 CZ PHE A 3 -15.520 -2.592 -22.249 1.00 53.44 C ATOM 0 H PHE A 3 -11.594 -6.452 -20.854 1.00 71.13 H new ATOM 0 HA PHE A 3 -14.456 -7.143 -20.543 1.00 5.34 H new ATOM 0 HB2 PHE A 3 -12.930 -6.484 -23.094 1.00 13.42 H new ATOM 0 HB3 PHE A 3 -14.541 -7.171 -23.054 1.00 13.42 H new ATOM 0 HD1 PHE A 3 -12.773 -4.193 -23.363 1.00 3.30 H new ATOM 0 HD2 PHE A 3 -16.230 -5.787 -21.450 1.00 14.50 H new ATOM 0 HE1 PHE A 3 -13.732 -1.936 -23.218 1.00 51.03 H new ATOM 0 HE2 PHE A 3 -17.192 -3.531 -21.305 1.00 61.42 H new ATOM 0 HZ PHE A 3 -15.940 -1.599 -22.181 1.00 53.44 H new ATOM 52 N LYS A 4 -14.024 -9.444 -21.783 1.00 33.24 N ATOM 53 CA LYS A 4 -13.729 -10.855 -22.001 1.00 21.53 C ATOM 54 C LYS A 4 -14.033 -11.259 -23.441 1.00 64.34 C ATOM 55 O LYS A 4 -14.925 -10.698 -24.077 1.00 12.13 O ATOM 56 CB LYS A 4 -14.539 -11.723 -21.035 1.00 53.22 C ATOM 57 CG LYS A 4 -14.306 -13.213 -21.214 1.00 22.24 C ATOM 58 CD LYS A 4 -12.868 -13.594 -20.903 1.00 3.42 C ATOM 59 CE LYS A 4 -12.584 -13.531 -19.410 1.00 15.10 C ATOM 60 NZ LYS A 4 -13.299 -14.604 -18.665 1.00 54.24 N1+ ATOM 0 H LYS A 4 -14.982 -9.174 -22.007 1.00 33.24 H new ATOM 0 HA LYS A 4 -12.666 -11.010 -21.815 1.00 21.53 H new ATOM 0 HB2 LYS A 4 -14.287 -11.445 -20.012 1.00 53.22 H new ATOM 0 HB3 LYS A 4 -15.599 -11.511 -21.171 1.00 53.22 H new ATOM 0 HG2 LYS A 4 -14.980 -13.768 -20.562 1.00 22.24 H new ATOM 0 HG3 LYS A 4 -14.546 -13.499 -22.238 1.00 22.24 H new ATOM 0 HD2 LYS A 4 -12.670 -14.601 -21.270 1.00 3.42 H new ATOM 0 HD3 LYS A 4 -12.191 -12.923 -21.432 1.00 3.42 H new ATOM 0 HE2 LYS A 4 -11.511 -13.623 -19.240 1.00 15.10 H new ATOM 0 HE3 LYS A 4 -12.885 -12.557 -19.023 1.00 15.10 H new ATOM 0 HZ1 LYS A 4 -12.894 -14.693 -17.711 1.00 54.24 H new ATOM 0 HZ2 LYS A 4 -14.308 -14.363 -18.592 1.00 54.24 H new ATOM 0 HZ3 LYS A 4 -13.195 -15.507 -19.171 1.00 54.24 H new ATOM 74 N ALA A 5 -13.289 -12.236 -23.947 1.00 23.53 N ATOM 75 CA ALA A 5 -13.482 -12.717 -25.310 1.00 20.41 C ATOM 76 C ALA A 5 -13.658 -14.231 -25.338 1.00 72.24 C ATOM 77 O ALA A 5 -12.852 -14.970 -24.772 1.00 53.44 O ATOM 78 CB ALA A 5 -12.310 -12.304 -26.187 1.00 73.13 C ATOM 0 H ALA A 5 -12.546 -12.711 -23.434 1.00 23.53 H new ATOM 0 HA ALA A 5 -14.392 -12.264 -25.703 1.00 20.41 H new ATOM 0 HB1 ALA A 5 -12.468 -12.670 -27.201 1.00 73.13 H new ATOM 0 HB2 ALA A 5 -12.232 -11.217 -26.202 1.00 73.13 H new ATOM 0 HB3 ALA A 5 -11.389 -12.729 -25.787 1.00 73.13 H new ATOM 84 N ILE A 6 -14.718 -14.687 -25.997 1.00 43.32 N ATOM 85 CA ILE A 6 -14.998 -16.113 -26.100 1.00 34.32 C ATOM 86 C ILE A 6 -15.159 -16.540 -27.555 1.00 75.13 C ATOM 87 O ILE A 6 -15.715 -15.804 -28.370 1.00 43.54 O ATOM 88 CB ILE A 6 -16.272 -16.493 -25.321 1.00 0.45 C ATOM 89 CG1 ILE A 6 -16.417 -18.015 -25.247 1.00 74.23 C ATOM 90 CG2 ILE A 6 -17.498 -15.872 -25.975 1.00 73.33 C ATOM 91 CD1 ILE A 6 -15.343 -18.683 -24.417 1.00 10.23 C ATOM 0 H ILE A 6 -15.397 -14.089 -26.468 1.00 43.32 H new ATOM 0 HA ILE A 6 -14.145 -16.634 -25.665 1.00 34.32 H new ATOM 0 HB ILE A 6 -16.188 -16.104 -24.306 1.00 0.45 H new ATOM 0 HG12 ILE A 6 -17.393 -18.259 -24.828 1.00 74.23 H new ATOM 0 HG13 ILE A 6 -16.392 -18.424 -26.257 1.00 74.23 H new ATOM 0 HG21 ILE A 6 -18.390 -16.150 -25.413 1.00 73.33 H new ATOM 0 HG22 ILE A 6 -17.396 -14.787 -25.982 1.00 73.33 H new ATOM 0 HG23 ILE A 6 -17.587 -16.234 -26.999 1.00 73.33 H new ATOM 0 HD11 ILE A 6 -15.508 -19.760 -24.408 1.00 10.23 H new ATOM 0 HD12 ILE A 6 -14.365 -18.469 -24.847 1.00 10.23 H new ATOM 0 HD13 ILE A 6 -15.382 -18.302 -23.397 1.00 10.23 H new ATOM 103 N ILE A 7 -14.668 -17.734 -27.873 1.00 61.12 N ATOM 104 CA ILE A 7 -14.760 -18.260 -29.229 1.00 70.24 C ATOM 105 C ILE A 7 -15.711 -19.450 -29.294 1.00 73.23 C ATOM 106 O ILE A 7 -15.653 -20.351 -28.459 1.00 74.32 O ATOM 107 CB ILE A 7 -13.379 -18.691 -29.759 1.00 43.34 C ATOM 108 CG1 ILE A 7 -12.352 -17.580 -29.534 1.00 24.22 C ATOM 109 CG2 ILE A 7 -13.468 -19.047 -31.236 1.00 55.12 C ATOM 110 CD1 ILE A 7 -12.730 -16.267 -30.184 1.00 21.24 C ATOM 0 H ILE A 7 -14.203 -18.354 -27.210 1.00 61.12 H new ATOM 0 HA ILE A 7 -15.146 -17.455 -29.855 1.00 70.24 H new ATOM 0 HB ILE A 7 -13.055 -19.575 -29.210 1.00 43.34 H new ATOM 0 HG12 ILE A 7 -12.227 -17.423 -28.463 1.00 24.22 H new ATOM 0 HG13 ILE A 7 -11.387 -17.904 -29.923 1.00 24.22 H new ATOM 0 HG21 ILE A 7 -12.485 -19.350 -31.597 1.00 55.12 H new ATOM 0 HG22 ILE A 7 -14.173 -19.868 -31.371 1.00 55.12 H new ATOM 0 HG23 ILE A 7 -13.810 -18.179 -31.800 1.00 55.12 H new ATOM 0 HD11 ILE A 7 -11.957 -15.526 -29.983 1.00 21.24 H new ATOM 0 HD12 ILE A 7 -12.826 -16.408 -31.260 1.00 21.24 H new ATOM 0 HD13 ILE A 7 -13.680 -15.920 -29.777 1.00 21.24 H new ATOM 122 N ASN A 8 -16.588 -19.445 -30.293 1.00 44.31 N ATOM 123 CA ASN A 8 -17.552 -20.525 -30.469 1.00 54.12 C ATOM 124 C ASN A 8 -17.303 -21.269 -31.778 1.00 3.45 C ATOM 125 O ASN A 8 -18.023 -21.083 -32.757 1.00 74.11 O ATOM 126 CB ASN A 8 -18.979 -19.971 -30.449 1.00 64.50 C ATOM 127 CG ASN A 8 -20.012 -21.044 -30.167 1.00 13.51 C ATOM 128 OD1 ASN A 8 -20.723 -21.489 -31.068 1.00 51.34 O ATOM 129 ND2 ASN A 8 -20.098 -21.467 -28.911 1.00 52.55 N ATOM 0 H ASN A 8 -16.651 -18.705 -30.993 1.00 44.31 H new ATOM 0 HA ASN A 8 -17.429 -21.226 -29.644 1.00 54.12 H new ATOM 0 HB2 ASN A 8 -19.053 -19.192 -29.691 1.00 64.50 H new ATOM 0 HB3 ASN A 8 -19.198 -19.503 -31.409 1.00 64.50 H new ATOM 0 HD21 ASN A 8 -20.774 -22.189 -28.661 1.00 52.55 H new ATOM 0 HD22 ASN A 8 -19.488 -21.070 -28.196 1.00 52.55 H new ATOM 136 N GLY A 9 -16.276 -22.114 -31.785 1.00 64.02 N ATOM 137 CA GLY A 9 -15.949 -22.875 -32.977 1.00 71.24 C ATOM 138 C GLY A 9 -16.561 -24.262 -32.965 1.00 4.45 C ATOM 139 O GLY A 9 -17.162 -24.675 -31.973 1.00 51.23 O ATOM 0 H GLY A 9 -15.665 -22.285 -30.986 1.00 64.02 H new ATOM 0 HA2 GLY A 9 -16.299 -22.335 -33.857 1.00 71.24 H new ATOM 0 HA3 GLY A 9 -14.866 -22.960 -33.065 1.00 71.24 H new ATOM 143 N LYS A 10 -16.410 -24.982 -34.071 1.00 61.35 N ATOM 144 CA LYS A 10 -16.952 -26.330 -34.186 1.00 63.23 C ATOM 145 C LYS A 10 -15.894 -27.374 -33.841 1.00 15.24 C ATOM 146 O LYS A 10 -16.215 -28.477 -33.397 1.00 72.44 O ATOM 147 CB LYS A 10 -17.478 -26.572 -35.603 1.00 21.11 C ATOM 148 CG LYS A 10 -18.404 -27.771 -35.712 1.00 0.45 C ATOM 149 CD LYS A 10 -19.850 -27.384 -35.450 1.00 62.51 C ATOM 150 CE LYS A 10 -20.181 -27.436 -33.966 1.00 31.44 C ATOM 151 NZ LYS A 10 -21.630 -27.683 -33.730 1.00 14.44 N1+ ATOM 0 H LYS A 10 -15.916 -24.654 -34.901 1.00 61.35 H new ATOM 0 HA LYS A 10 -17.775 -26.424 -33.478 1.00 63.23 H new ATOM 0 HB2 LYS A 10 -18.008 -25.682 -35.941 1.00 21.11 H new ATOM 0 HB3 LYS A 10 -16.632 -26.714 -36.276 1.00 21.11 H new ATOM 0 HG2 LYS A 10 -18.318 -28.209 -36.706 1.00 0.45 H new ATOM 0 HG3 LYS A 10 -18.096 -28.536 -34.999 1.00 0.45 H new ATOM 0 HD2 LYS A 10 -20.033 -26.379 -35.830 1.00 62.51 H new ATOM 0 HD3 LYS A 10 -20.512 -28.056 -35.995 1.00 62.51 H new ATOM 0 HE2 LYS A 10 -19.596 -28.224 -33.491 1.00 31.44 H new ATOM 0 HE3 LYS A 10 -19.891 -26.496 -33.496 1.00 31.44 H new ATOM 0 HZ1 LYS A 10 -21.815 -27.711 -32.707 1.00 14.44 H new ATOM 0 HZ2 LYS A 10 -22.187 -26.918 -34.162 1.00 14.44 H new ATOM 0 HZ3 LYS A 10 -21.901 -28.592 -34.156 1.00 14.44 H new ATOM 165 N THR A 11 -14.630 -27.018 -34.045 1.00 75.42 N ATOM 166 CA THR A 11 -13.524 -27.922 -33.755 1.00 45.15 C ATOM 167 C THR A 11 -12.434 -27.219 -32.955 1.00 43.34 C ATOM 168 O THR A 11 -11.946 -27.746 -31.954 1.00 53.01 O ATOM 169 CB THR A 11 -12.911 -28.493 -35.047 1.00 51.20 C ATOM 170 OG1 THR A 11 -12.951 -27.507 -36.085 1.00 61.24 O ATOM 171 CG2 THR A 11 -13.659 -29.740 -35.497 1.00 64.34 C ATOM 0 H THR A 11 -14.346 -26.109 -34.410 1.00 75.42 H new ATOM 0 HA THR A 11 -13.933 -28.741 -33.164 1.00 45.15 H new ATOM 0 HB THR A 11 -11.875 -28.764 -34.842 1.00 51.20 H new ATOM 0 HG1 THR A 11 -12.558 -27.877 -36.903 1.00 61.24 H new ATOM 0 HG21 THR A 11 -13.208 -30.125 -36.411 1.00 64.34 H new ATOM 0 HG22 THR A 11 -13.603 -30.499 -34.717 1.00 64.34 H new ATOM 0 HG23 THR A 11 -14.703 -29.490 -35.685 1.00 64.34 H new ATOM 179 N LEU A 12 -12.055 -26.027 -33.402 1.00 14.20 N ATOM 180 CA LEU A 12 -11.021 -25.250 -32.727 1.00 71.25 C ATOM 181 C LEU A 12 -11.623 -24.038 -32.022 1.00 11.25 C ATOM 182 O LEU A 12 -11.967 -23.043 -32.661 1.00 31.51 O ATOM 183 CB LEU A 12 -9.960 -24.796 -33.731 1.00 3.23 C ATOM 184 CG LEU A 12 -8.808 -25.770 -33.977 1.00 35.12 C ATOM 185 CD1 LEU A 12 -9.290 -26.981 -34.762 1.00 11.42 C ATOM 186 CD2 LEU A 12 -7.669 -25.076 -34.711 1.00 24.33 C ATOM 0 H LEU A 12 -12.448 -25.577 -34.229 1.00 14.20 H new ATOM 0 HA LEU A 12 -10.553 -25.888 -31.977 1.00 71.25 H new ATOM 0 HB2 LEU A 12 -10.451 -24.598 -34.684 1.00 3.23 H new ATOM 0 HB3 LEU A 12 -9.542 -23.851 -33.385 1.00 3.23 H new ATOM 0 HG LEU A 12 -8.436 -26.113 -33.011 1.00 35.12 H new ATOM 0 HD11 LEU A 12 -8.456 -27.663 -34.927 1.00 11.42 H new ATOM 0 HD12 LEU A 12 -10.071 -27.492 -34.199 1.00 11.42 H new ATOM 0 HD13 LEU A 12 -9.689 -26.656 -35.723 1.00 11.42 H new ATOM 0 HD21 LEU A 12 -6.858 -25.785 -34.877 1.00 24.33 H new ATOM 0 HD22 LEU A 12 -8.028 -24.704 -35.670 1.00 24.33 H new ATOM 0 HD23 LEU A 12 -7.305 -24.242 -34.111 1.00 24.33 H new ATOM 198 N LYS A 13 -11.745 -24.129 -30.702 1.00 74.53 N ATOM 199 CA LYS A 13 -12.301 -23.039 -29.909 1.00 63.41 C ATOM 200 C LYS A 13 -11.448 -22.775 -28.674 1.00 51.50 C ATOM 201 O LYS A 13 -10.506 -23.514 -28.387 1.00 41.22 O ATOM 202 CB LYS A 13 -13.736 -23.368 -29.490 1.00 61.25 C ATOM 203 CG LYS A 13 -13.844 -24.591 -28.595 1.00 35.23 C ATOM 204 CD LYS A 13 -13.939 -25.871 -29.409 1.00 31.02 C ATOM 205 CE LYS A 13 -14.719 -26.945 -28.667 1.00 52.41 C ATOM 206 NZ LYS A 13 -15.000 -28.123 -29.533 1.00 2.51 N1+ ATOM 0 H LYS A 13 -11.466 -24.946 -30.159 1.00 74.53 H new ATOM 0 HA LYS A 13 -12.305 -22.140 -30.525 1.00 63.41 H new ATOM 0 HB2 LYS A 13 -14.159 -22.509 -28.970 1.00 61.25 H new ATOM 0 HB3 LYS A 13 -14.339 -23.528 -30.384 1.00 61.25 H new ATOM 0 HG2 LYS A 13 -12.976 -24.640 -27.938 1.00 35.23 H new ATOM 0 HG3 LYS A 13 -14.722 -24.499 -27.956 1.00 35.23 H new ATOM 0 HD2 LYS A 13 -14.423 -25.662 -30.363 1.00 31.02 H new ATOM 0 HD3 LYS A 13 -12.937 -26.237 -29.633 1.00 31.02 H new ATOM 0 HE2 LYS A 13 -14.154 -27.264 -27.791 1.00 52.41 H new ATOM 0 HE3 LYS A 13 -15.659 -26.527 -28.306 1.00 52.41 H new ATOM 0 HZ1 LYS A 13 -15.533 -28.833 -28.991 1.00 2.51 H new ATOM 0 HZ2 LYS A 13 -15.560 -27.823 -30.356 1.00 2.51 H new ATOM 0 HZ3 LYS A 13 -14.103 -28.537 -29.857 1.00 2.51 H new ATOM 220 N GLY A 14 -11.783 -21.715 -27.943 1.00 72.31 N ATOM 221 CA GLY A 14 -11.038 -21.374 -26.745 1.00 53.44 C ATOM 222 C GLY A 14 -11.611 -20.166 -26.031 1.00 32.23 C ATOM 223 O GLY A 14 -12.784 -19.837 -26.200 1.00 62.11 O ATOM 0 H GLY A 14 -12.557 -21.087 -28.159 1.00 72.31 H new ATOM 0 HA2 GLY A 14 -11.037 -22.227 -26.066 1.00 53.44 H new ATOM 0 HA3 GLY A 14 -9.999 -21.177 -27.010 1.00 53.44 H new ATOM 227 N GLU A 15 -10.782 -19.507 -25.228 1.00 72.40 N ATOM 228 CA GLU A 15 -11.215 -18.330 -24.483 1.00 14.51 C ATOM 229 C GLU A 15 -10.044 -17.385 -24.229 1.00 2.11 C ATOM 230 O GLU A 15 -8.955 -17.814 -23.846 1.00 50.33 O ATOM 231 CB GLU A 15 -11.846 -18.746 -23.152 1.00 41.21 C ATOM 232 CG GLU A 15 -10.956 -19.646 -22.312 1.00 33.00 C ATOM 233 CD GLU A 15 -11.442 -19.774 -20.880 1.00 5.33 C ATOM 234 OE1 GLU A 15 -10.643 -19.507 -19.958 1.00 42.21 O ATOM 235 OE2 GLU A 15 -12.619 -20.141 -20.683 1.00 1.43 O1- ATOM 0 H GLU A 15 -9.808 -19.768 -25.076 1.00 72.40 H new ATOM 0 HA GLU A 15 -11.959 -17.806 -25.083 1.00 14.51 H new ATOM 0 HB2 GLU A 15 -12.088 -17.851 -22.579 1.00 41.21 H new ATOM 0 HB3 GLU A 15 -12.786 -19.261 -23.350 1.00 41.21 H new ATOM 0 HG2 GLU A 15 -10.913 -20.636 -22.767 1.00 33.00 H new ATOM 0 HG3 GLU A 15 -9.940 -19.250 -22.313 1.00 33.00 H new ATOM 242 N THR A 16 -10.275 -16.095 -24.448 1.00 64.02 N ATOM 243 CA THR A 16 -9.241 -15.087 -24.245 1.00 12.05 C ATOM 244 C THR A 16 -9.789 -13.878 -23.498 1.00 42.21 C ATOM 245 O THR A 16 -10.955 -13.857 -23.098 1.00 10.11 O ATOM 246 CB THR A 16 -8.643 -14.619 -25.586 1.00 72.14 C ATOM 247 OG1 THR A 16 -9.653 -13.986 -26.378 1.00 21.02 O ATOM 248 CG2 THR A 16 -8.050 -15.791 -26.353 1.00 32.22 C ATOM 0 H THR A 16 -11.170 -15.723 -24.766 1.00 64.02 H new ATOM 0 HA THR A 16 -8.458 -15.554 -23.648 1.00 12.05 H new ATOM 0 HB THR A 16 -7.847 -13.905 -25.374 1.00 72.14 H new ATOM 0 HG1 THR A 16 -9.265 -13.690 -27.228 1.00 21.02 H new ATOM 0 HG21 THR A 16 -7.634 -15.436 -27.296 1.00 32.22 H new ATOM 0 HG22 THR A 16 -7.261 -16.252 -25.759 1.00 32.22 H new ATOM 0 HG23 THR A 16 -8.829 -16.526 -26.554 1.00 32.22 H new ATOM 256 N THR A 17 -8.943 -12.871 -23.309 1.00 12.33 N ATOM 257 CA THR A 17 -9.343 -11.658 -22.608 1.00 4.32 C ATOM 258 C THR A 17 -8.989 -10.414 -23.415 1.00 2.10 C ATOM 259 O THR A 17 -8.114 -10.450 -24.280 1.00 50.51 O ATOM 260 CB THR A 17 -8.676 -11.563 -21.222 1.00 64.52 C ATOM 261 OG1 THR A 17 -7.395 -12.202 -21.252 1.00 35.25 O ATOM 262 CG2 THR A 17 -9.547 -12.210 -20.157 1.00 52.12 C ATOM 0 H THR A 17 -7.975 -12.872 -23.632 1.00 12.33 H new ATOM 0 HA THR A 17 -10.424 -11.710 -22.480 1.00 4.32 H new ATOM 0 HB THR A 17 -8.551 -10.509 -20.974 1.00 64.52 H new ATOM 0 HG1 THR A 17 -6.976 -12.136 -20.369 1.00 35.25 H new ATOM 0 HG21 THR A 17 -9.055 -12.131 -19.187 1.00 52.12 H new ATOM 0 HG22 THR A 17 -10.511 -11.703 -20.118 1.00 52.12 H new ATOM 0 HG23 THR A 17 -9.700 -13.261 -20.401 1.00 52.12 H new ATOM 270 N THR A 18 -9.675 -9.311 -23.126 1.00 22.31 N ATOM 271 CA THR A 18 -9.433 -8.056 -23.826 1.00 2.54 C ATOM 272 C THR A 18 -9.213 -6.912 -22.843 1.00 23.33 C ATOM 273 O THR A 18 -10.120 -6.534 -22.103 1.00 54.25 O ATOM 274 CB THR A 18 -10.606 -7.697 -24.758 1.00 23.14 C ATOM 275 OG1 THR A 18 -11.237 -8.892 -25.233 1.00 34.30 O ATOM 276 CG2 THR A 18 -10.125 -6.867 -25.938 1.00 44.33 C ATOM 0 H THR A 18 -10.402 -9.263 -22.412 1.00 22.31 H new ATOM 0 HA THR A 18 -8.533 -8.197 -24.424 1.00 2.54 H new ATOM 0 HB THR A 18 -11.326 -7.108 -24.190 1.00 23.14 H new ATOM 0 HG1 THR A 18 -12.177 -8.706 -25.438 1.00 34.30 H new ATOM 0 HG21 THR A 18 -10.971 -6.626 -26.582 1.00 44.33 H new ATOM 0 HG22 THR A 18 -9.672 -5.945 -25.574 1.00 44.33 H new ATOM 0 HG23 THR A 18 -9.387 -7.434 -26.505 1.00 44.33 H new ATOM 284 N GLU A 19 -8.001 -6.366 -22.840 1.00 43.54 N ATOM 285 CA GLU A 19 -7.662 -5.265 -21.946 1.00 43.13 C ATOM 286 C GLU A 19 -7.043 -4.105 -22.721 1.00 53.51 C ATOM 287 O GLU A 19 -5.878 -4.159 -23.115 1.00 62.32 O ATOM 288 CB GLU A 19 -6.695 -5.740 -20.859 1.00 75.33 C ATOM 289 CG GLU A 19 -6.242 -4.633 -19.922 1.00 64.13 C ATOM 290 CD GLU A 19 -5.819 -5.156 -18.563 1.00 55.41 C ATOM 291 OE1 GLU A 19 -4.606 -5.375 -18.362 1.00 63.52 O ATOM 292 OE2 GLU A 19 -6.702 -5.348 -17.700 1.00 10.35 O1- ATOM 0 H GLU A 19 -7.238 -6.668 -23.446 1.00 43.54 H new ATOM 0 HA GLU A 19 -8.582 -4.916 -21.477 1.00 43.13 H new ATOM 0 HB2 GLU A 19 -7.175 -6.525 -20.275 1.00 75.33 H new ATOM 0 HB3 GLU A 19 -5.820 -6.185 -21.332 1.00 75.33 H new ATOM 0 HG2 GLU A 19 -5.409 -4.096 -20.376 1.00 64.13 H new ATOM 0 HG3 GLU A 19 -7.052 -3.915 -19.795 1.00 64.13 H new ATOM 299 N ALA A 20 -7.832 -3.058 -22.937 1.00 42.41 N ATOM 300 CA ALA A 20 -7.362 -1.885 -23.664 1.00 61.43 C ATOM 301 C ALA A 20 -7.735 -0.600 -22.933 1.00 34.43 C ATOM 302 O ALA A 20 -8.356 -0.637 -21.871 1.00 52.30 O ATOM 303 CB ALA A 20 -7.932 -1.876 -25.075 1.00 42.42 C ATOM 0 H ALA A 20 -8.799 -2.998 -22.619 1.00 42.41 H new ATOM 0 HA ALA A 20 -6.275 -1.936 -23.723 1.00 61.43 H new ATOM 0 HB1 ALA A 20 -7.573 -0.995 -25.607 1.00 42.42 H new ATOM 0 HB2 ALA A 20 -7.611 -2.774 -25.603 1.00 42.42 H new ATOM 0 HB3 ALA A 20 -9.021 -1.853 -25.027 1.00 42.42 H new ATOM 309 N VAL A 21 -7.351 0.536 -23.507 1.00 11.54 N ATOM 310 CA VAL A 21 -7.647 1.833 -22.910 1.00 64.42 C ATOM 311 C VAL A 21 -9.070 2.274 -23.229 1.00 23.33 C ATOM 312 O VAL A 21 -9.813 2.699 -22.344 1.00 70.44 O ATOM 313 CB VAL A 21 -6.664 2.913 -23.400 1.00 32.04 C ATOM 314 CG1 VAL A 21 -6.907 4.226 -22.673 1.00 72.54 C ATOM 315 CG2 VAL A 21 -5.227 2.449 -23.214 1.00 45.25 C ATOM 0 H VAL A 21 -6.834 0.584 -24.385 1.00 11.54 H new ATOM 0 HA VAL A 21 -7.540 1.717 -21.832 1.00 64.42 H new ATOM 0 HB VAL A 21 -6.834 3.078 -24.464 1.00 32.04 H new ATOM 0 HG11 VAL A 21 -6.203 4.977 -23.033 1.00 72.54 H new ATOM 0 HG12 VAL A 21 -7.926 4.564 -22.863 1.00 72.54 H new ATOM 0 HG13 VAL A 21 -6.766 4.080 -21.602 1.00 72.54 H new ATOM 0 HG21 VAL A 21 -4.546 3.224 -23.565 1.00 45.25 H new ATOM 0 HG22 VAL A 21 -5.041 2.254 -22.158 1.00 45.25 H new ATOM 0 HG23 VAL A 21 -5.063 1.535 -23.786 1.00 45.25 H new ATOM 325 N ASP A 22 -9.445 2.171 -24.499 1.00 42.31 N ATOM 326 CA ASP A 22 -10.781 2.558 -24.936 1.00 1.33 C ATOM 327 C ASP A 22 -11.443 1.432 -25.726 1.00 73.21 C ATOM 328 O ASP A 22 -10.770 0.518 -26.204 1.00 2.50 O ATOM 329 CB ASP A 22 -10.715 3.825 -25.790 1.00 0.34 C ATOM 330 CG ASP A 22 -10.042 4.975 -25.067 1.00 65.24 C ATOM 331 OD1 ASP A 22 -9.142 5.605 -25.662 1.00 31.54 O ATOM 332 OD2 ASP A 22 -10.414 5.245 -23.906 1.00 73.30 O1- ATOM 0 H ASP A 22 -8.842 1.823 -25.244 1.00 42.31 H new ATOM 0 HA ASP A 22 -11.382 2.758 -24.049 1.00 1.33 H new ATOM 0 HB2 ASP A 22 -10.173 3.611 -26.711 1.00 0.34 H new ATOM 0 HB3 ASP A 22 -11.725 4.120 -26.076 1.00 0.34 H new ATOM 337 N ALA A 23 -12.763 1.504 -25.857 1.00 3.24 N ATOM 338 CA ALA A 23 -13.514 0.492 -26.588 1.00 54.33 C ATOM 339 C ALA A 23 -12.980 0.331 -28.007 1.00 5.03 C ATOM 340 O ALA A 23 -12.943 -0.776 -28.544 1.00 12.02 O ATOM 341 CB ALA A 23 -14.993 0.851 -26.617 1.00 24.43 C ATOM 0 H ALA A 23 -13.334 2.253 -25.466 1.00 3.24 H new ATOM 0 HA ALA A 23 -13.392 -0.460 -26.071 1.00 54.33 H new ATOM 0 HB1 ALA A 23 -15.542 0.086 -27.166 1.00 24.43 H new ATOM 0 HB2 ALA A 23 -15.373 0.909 -25.597 1.00 24.43 H new ATOM 0 HB3 ALA A 23 -15.124 1.815 -27.108 1.00 24.43 H new ATOM 347 N ALA A 24 -12.568 1.441 -28.609 1.00 2.42 N ATOM 348 CA ALA A 24 -12.034 1.423 -29.966 1.00 1.04 C ATOM 349 C ALA A 24 -10.672 0.739 -30.010 1.00 20.15 C ATOM 350 O ALA A 24 -10.352 0.026 -30.962 1.00 1.23 O ATOM 351 CB ALA A 24 -11.935 2.838 -30.514 1.00 53.41 C ATOM 0 H ALA A 24 -12.594 2.365 -28.178 1.00 2.42 H new ATOM 0 HA ALA A 24 -12.719 0.851 -30.592 1.00 1.04 H new ATOM 0 HB1 ALA A 24 -11.535 2.809 -31.527 1.00 53.41 H new ATOM 0 HB2 ALA A 24 -12.925 3.293 -30.528 1.00 53.41 H new ATOM 0 HB3 ALA A 24 -11.274 3.428 -29.880 1.00 53.41 H new ATOM 357 N THR A 25 -9.869 0.963 -28.974 1.00 32.45 N ATOM 358 CA THR A 25 -8.540 0.371 -28.896 1.00 64.24 C ATOM 359 C THR A 25 -8.607 -1.149 -29.002 1.00 62.03 C ATOM 360 O THR A 25 -7.705 -1.783 -29.548 1.00 44.02 O ATOM 361 CB THR A 25 -7.832 0.750 -27.581 1.00 73.41 C ATOM 362 OG1 THR A 25 -7.878 2.169 -27.392 1.00 72.11 O ATOM 363 CG2 THR A 25 -6.385 0.281 -27.590 1.00 4.30 C ATOM 0 H THR A 25 -10.117 1.550 -28.178 1.00 32.45 H new ATOM 0 HA THR A 25 -7.969 0.767 -29.736 1.00 64.24 H new ATOM 0 HB THR A 25 -8.351 0.257 -26.759 1.00 73.41 H new ATOM 0 HG1 THR A 25 -7.428 2.402 -26.553 1.00 72.11 H new ATOM 0 HG21 THR A 25 -5.906 0.560 -26.651 1.00 4.30 H new ATOM 0 HG22 THR A 25 -6.354 -0.803 -27.705 1.00 4.30 H new ATOM 0 HG23 THR A 25 -5.856 0.749 -28.420 1.00 4.30 H new ATOM 371 N ALA A 26 -9.682 -1.727 -28.478 1.00 74.02 N ATOM 372 CA ALA A 26 -9.868 -3.172 -28.517 1.00 53.15 C ATOM 373 C ALA A 26 -10.386 -3.622 -29.880 1.00 23.31 C ATOM 374 O ALA A 26 -10.173 -4.763 -30.288 1.00 2.03 O ATOM 375 CB ALA A 26 -10.823 -3.612 -27.417 1.00 11.33 C ATOM 0 H ALA A 26 -10.438 -1.217 -28.021 1.00 74.02 H new ATOM 0 HA ALA A 26 -8.899 -3.642 -28.351 1.00 53.15 H new ATOM 0 HB1 ALA A 26 -10.952 -4.694 -27.459 1.00 11.33 H new ATOM 0 HB2 ALA A 26 -10.413 -3.332 -26.446 1.00 11.33 H new ATOM 0 HB3 ALA A 26 -11.788 -3.126 -27.557 1.00 11.33 H new ATOM 381 N GLU A 27 -11.067 -2.718 -30.577 1.00 4.11 N ATOM 382 CA GLU A 27 -11.615 -3.024 -31.893 1.00 11.53 C ATOM 383 C GLU A 27 -10.516 -3.033 -32.951 1.00 23.50 C ATOM 384 O GLU A 27 -10.446 -3.940 -33.782 1.00 52.42 O ATOM 385 CB GLU A 27 -12.693 -2.006 -32.270 1.00 72.31 C ATOM 386 CG GLU A 27 -14.067 -2.340 -31.713 1.00 43.22 C ATOM 387 CD GLU A 27 -14.729 -3.492 -32.443 1.00 0.43 C ATOM 388 OE1 GLU A 27 -14.799 -4.597 -31.866 1.00 23.21 O ATOM 389 OE2 GLU A 27 -15.176 -3.289 -33.591 1.00 4.43 O1- ATOM 0 H GLU A 27 -11.252 -1.769 -30.253 1.00 4.11 H new ATOM 0 HA GLU A 27 -12.062 -4.017 -31.850 1.00 11.53 H new ATOM 0 HB2 GLU A 27 -12.393 -1.022 -31.910 1.00 72.31 H new ATOM 0 HB3 GLU A 27 -12.756 -1.942 -33.356 1.00 72.31 H new ATOM 0 HG2 GLU A 27 -13.975 -2.590 -30.656 1.00 43.22 H new ATOM 0 HG3 GLU A 27 -14.705 -1.459 -31.778 1.00 43.22 H new ATOM 396 N LYS A 28 -9.660 -2.018 -32.916 1.00 43.34 N ATOM 397 CA LYS A 28 -8.564 -1.908 -33.871 1.00 2.12 C ATOM 398 C LYS A 28 -7.670 -3.142 -33.818 1.00 23.24 C ATOM 399 O LYS A 28 -7.011 -3.487 -34.799 1.00 44.21 O ATOM 400 CB LYS A 28 -7.736 -0.652 -33.586 1.00 40.24 C ATOM 401 CG LYS A 28 -7.193 -0.591 -32.168 1.00 74.32 C ATOM 402 CD LYS A 28 -5.898 0.200 -32.100 1.00 34.15 C ATOM 403 CE LYS A 28 -6.161 1.697 -32.049 1.00 4.23 C ATOM 404 NZ LYS A 28 -4.921 2.486 -32.287 1.00 4.24 N1+ ATOM 0 H LYS A 28 -9.704 -1.259 -32.236 1.00 43.34 H new ATOM 0 HA LYS A 28 -8.992 -1.834 -34.871 1.00 2.12 H new ATOM 0 HB2 LYS A 28 -6.903 -0.609 -34.287 1.00 40.24 H new ATOM 0 HB3 LYS A 28 -8.352 0.228 -33.769 1.00 40.24 H new ATOM 0 HG2 LYS A 28 -7.934 -0.134 -31.513 1.00 74.32 H new ATOM 0 HG3 LYS A 28 -7.022 -1.602 -31.799 1.00 74.32 H new ATOM 0 HD2 LYS A 28 -5.332 -0.101 -31.218 1.00 34.15 H new ATOM 0 HD3 LYS A 28 -5.282 -0.033 -32.969 1.00 34.15 H new ATOM 0 HE2 LYS A 28 -6.908 1.960 -32.798 1.00 4.23 H new ATOM 0 HE3 LYS A 28 -6.578 1.960 -31.077 1.00 4.23 H new ATOM 0 HZ1 LYS A 28 -5.142 3.501 -32.244 1.00 4.24 H new ATOM 0 HZ2 LYS A 28 -4.217 2.254 -31.558 1.00 4.24 H new ATOM 0 HZ3 LYS A 28 -4.537 2.255 -33.225 1.00 4.24 H new ATOM 418 N VAL A 29 -7.653 -3.807 -32.666 1.00 21.30 N ATOM 419 CA VAL A 29 -6.841 -5.004 -32.486 1.00 25.12 C ATOM 420 C VAL A 29 -7.558 -6.239 -33.022 1.00 3.02 C ATOM 421 O VAL A 29 -6.922 -7.202 -33.450 1.00 53.33 O ATOM 422 CB VAL A 29 -6.494 -5.229 -31.003 1.00 45.21 C ATOM 423 CG1 VAL A 29 -5.662 -6.491 -30.834 1.00 44.51 C ATOM 424 CG2 VAL A 29 -5.765 -4.020 -30.437 1.00 72.10 C ATOM 0 H VAL A 29 -8.193 -3.536 -31.844 1.00 21.30 H new ATOM 0 HA VAL A 29 -5.920 -4.849 -33.047 1.00 25.12 H new ATOM 0 HB VAL A 29 -7.422 -5.358 -30.447 1.00 45.21 H new ATOM 0 HG11 VAL A 29 -5.427 -6.633 -29.779 1.00 44.51 H new ATOM 0 HG12 VAL A 29 -6.225 -7.350 -31.199 1.00 44.51 H new ATOM 0 HG13 VAL A 29 -4.737 -6.396 -31.402 1.00 44.51 H new ATOM 0 HG21 VAL A 29 -5.528 -4.197 -29.388 1.00 72.10 H new ATOM 0 HG22 VAL A 29 -4.843 -3.857 -30.995 1.00 72.10 H new ATOM 0 HG23 VAL A 29 -6.401 -3.139 -30.522 1.00 72.10 H new ATOM 434 N PHE A 30 -8.886 -6.202 -32.996 1.00 64.42 N ATOM 435 CA PHE A 30 -9.691 -7.319 -33.479 1.00 35.02 C ATOM 436 C PHE A 30 -9.576 -7.457 -34.994 1.00 62.14 C ATOM 437 O PHE A 30 -9.358 -8.551 -35.515 1.00 3.15 O ATOM 438 CB PHE A 30 -11.156 -7.128 -33.083 1.00 12.44 C ATOM 439 CG PHE A 30 -11.498 -7.725 -31.747 1.00 52.15 C ATOM 440 CD1 PHE A 30 -11.242 -9.061 -31.485 1.00 52.04 C ATOM 441 CD2 PHE A 30 -12.077 -6.951 -30.755 1.00 11.01 C ATOM 442 CE1 PHE A 30 -11.556 -9.614 -30.257 1.00 11.44 C ATOM 443 CE2 PHE A 30 -12.392 -7.497 -29.526 1.00 32.40 C ATOM 444 CZ PHE A 30 -12.132 -8.830 -29.276 1.00 5.33 C ATOM 0 H PHE A 30 -9.428 -5.412 -32.646 1.00 64.42 H new ATOM 0 HA PHE A 30 -9.313 -8.232 -33.019 1.00 35.02 H new ATOM 0 HB2 PHE A 30 -11.383 -6.062 -33.065 1.00 12.44 H new ATOM 0 HB3 PHE A 30 -11.792 -7.577 -33.846 1.00 12.44 H new ATOM 0 HD1 PHE A 30 -10.792 -9.678 -32.249 1.00 52.04 H new ATOM 0 HD2 PHE A 30 -12.285 -5.908 -30.945 1.00 11.01 H new ATOM 0 HE1 PHE A 30 -11.351 -10.657 -30.065 1.00 11.44 H new ATOM 0 HE2 PHE A 30 -12.842 -6.882 -28.761 1.00 32.40 H new ATOM 0 HZ PHE A 30 -12.378 -9.259 -28.316 1.00 5.33 H new ATOM 454 N LYS A 31 -9.725 -6.339 -35.696 1.00 13.35 N ATOM 455 CA LYS A 31 -9.638 -6.333 -37.152 1.00 22.03 C ATOM 456 C LYS A 31 -8.316 -6.933 -37.621 1.00 4.01 C ATOM 457 O LYS A 31 -8.232 -7.491 -38.715 1.00 74.12 O ATOM 458 CB LYS A 31 -9.779 -4.905 -37.685 1.00 52.34 C ATOM 459 CG LYS A 31 -8.914 -3.894 -36.952 1.00 74.40 C ATOM 460 CD LYS A 31 -8.728 -2.625 -37.768 1.00 13.51 C ATOM 461 CE LYS A 31 -10.047 -1.898 -37.978 1.00 21.40 C ATOM 462 NZ LYS A 31 -9.843 -0.519 -38.500 1.00 50.35 N1+ ATOM 0 H LYS A 31 -9.907 -5.425 -35.281 1.00 13.35 H new ATOM 0 HA LYS A 31 -10.452 -6.943 -37.542 1.00 22.03 H new ATOM 0 HB2 LYS A 31 -9.519 -4.894 -38.743 1.00 52.34 H new ATOM 0 HB3 LYS A 31 -10.823 -4.600 -37.610 1.00 52.34 H new ATOM 0 HG2 LYS A 31 -9.372 -3.648 -35.994 1.00 74.40 H new ATOM 0 HG3 LYS A 31 -7.941 -4.335 -36.736 1.00 74.40 H new ATOM 0 HD2 LYS A 31 -8.025 -1.965 -37.261 1.00 13.51 H new ATOM 0 HD3 LYS A 31 -8.291 -2.874 -38.735 1.00 13.51 H new ATOM 0 HE2 LYS A 31 -10.666 -2.463 -38.676 1.00 21.40 H new ATOM 0 HE3 LYS A 31 -10.591 -1.852 -37.034 1.00 21.40 H new ATOM 0 HZ1 LYS A 31 -10.766 -0.057 -38.630 1.00 50.35 H new ATOM 0 HZ2 LYS A 31 -9.274 0.028 -37.823 1.00 50.35 H new ATOM 0 HZ3 LYS A 31 -9.347 -0.563 -39.413 1.00 50.35 H new ATOM 476 N GLN A 32 -7.289 -6.817 -36.786 1.00 12.22 N ATOM 477 CA GLN A 32 -5.973 -7.350 -37.116 1.00 64.31 C ATOM 478 C GLN A 32 -5.921 -8.857 -36.884 1.00 73.14 C ATOM 479 O GLN A 32 -5.247 -9.585 -37.612 1.00 72.14 O ATOM 480 CB GLN A 32 -4.894 -6.657 -36.280 1.00 31.11 C ATOM 481 CG GLN A 32 -4.528 -5.273 -36.789 1.00 43.12 C ATOM 482 CD GLN A 32 -3.524 -5.315 -37.925 1.00 30.42 C ATOM 483 OE1 GLN A 32 -3.580 -6.195 -38.786 1.00 41.20 O ATOM 484 NE2 GLN A 32 -2.599 -4.363 -37.935 1.00 61.01 N ATOM 0 H GLN A 32 -7.343 -6.359 -35.876 1.00 12.22 H new ATOM 0 HA GLN A 32 -5.786 -7.156 -38.172 1.00 64.31 H new ATOM 0 HB2 GLN A 32 -5.240 -6.577 -35.249 1.00 31.11 H new ATOM 0 HB3 GLN A 32 -3.999 -7.279 -36.268 1.00 31.11 H new ATOM 0 HG2 GLN A 32 -5.431 -4.764 -37.126 1.00 43.12 H new ATOM 0 HG3 GLN A 32 -4.118 -4.685 -35.968 1.00 43.12 H new ATOM 0 HE21 GLN A 32 -2.589 -3.654 -37.202 1.00 61.01 H new ATOM 0 HE22 GLN A 32 -1.898 -4.341 -38.675 1.00 61.01 H new ATOM 493 N TYR A 33 -6.638 -9.318 -35.865 1.00 0.51 N ATOM 494 CA TYR A 33 -6.673 -10.737 -35.535 1.00 64.52 C ATOM 495 C TYR A 33 -7.184 -11.559 -36.715 1.00 3.34 C ATOM 496 O TYR A 33 -6.765 -12.698 -36.922 1.00 3.14 O ATOM 497 CB TYR A 33 -7.557 -10.978 -34.311 1.00 74.12 C ATOM 498 CG TYR A 33 -6.811 -10.890 -32.998 1.00 2.13 C ATOM 499 CD1 TYR A 33 -5.883 -9.881 -32.770 1.00 44.13 C ATOM 500 CD2 TYR A 33 -7.033 -11.817 -31.987 1.00 14.23 C ATOM 501 CE1 TYR A 33 -5.199 -9.798 -31.573 1.00 22.11 C ATOM 502 CE2 TYR A 33 -6.355 -11.741 -30.786 1.00 11.55 C ATOM 503 CZ TYR A 33 -5.438 -10.729 -30.584 1.00 40.41 C ATOM 504 OH TYR A 33 -4.759 -10.651 -29.390 1.00 2.51 O ATOM 0 H TYR A 33 -7.203 -8.729 -35.253 1.00 0.51 H new ATOM 0 HA TYR A 33 -5.656 -11.055 -35.307 1.00 64.52 H new ATOM 0 HB2 TYR A 33 -8.367 -10.248 -34.309 1.00 74.12 H new ATOM 0 HB3 TYR A 33 -8.016 -11.963 -34.393 1.00 74.12 H new ATOM 0 HD1 TYR A 33 -5.694 -9.150 -33.542 1.00 44.13 H new ATOM 0 HD2 TYR A 33 -7.748 -12.611 -32.143 1.00 14.23 H new ATOM 0 HE1 TYR A 33 -4.480 -9.008 -31.412 1.00 22.11 H new ATOM 0 HE2 TYR A 33 -6.541 -12.469 -30.010 1.00 11.55 H new ATOM 0 HH TYR A 33 -5.045 -11.381 -28.803 1.00 2.51 H new ATOM 514 N PHE A 34 -8.093 -10.971 -37.486 1.00 1.24 N ATOM 515 CA PHE A 34 -8.663 -11.646 -38.645 1.00 71.25 C ATOM 516 C PHE A 34 -7.564 -12.146 -39.580 1.00 75.23 C ATOM 517 O PHE A 34 -7.624 -13.267 -40.083 1.00 24.13 O ATOM 518 CB PHE A 34 -9.601 -10.704 -39.402 1.00 45.01 C ATOM 519 CG PHE A 34 -11.012 -10.721 -38.885 1.00 40.33 C ATOM 520 CD1 PHE A 34 -11.625 -9.550 -38.466 1.00 50.01 C ATOM 521 CD2 PHE A 34 -11.726 -11.907 -38.819 1.00 32.15 C ATOM 522 CE1 PHE A 34 -12.922 -9.563 -37.989 1.00 32.33 C ATOM 523 CE2 PHE A 34 -13.023 -11.924 -38.344 1.00 24.42 C ATOM 524 CZ PHE A 34 -13.622 -10.752 -37.928 1.00 24.34 C ATOM 0 H PHE A 34 -8.450 -10.029 -37.329 1.00 1.24 H new ATOM 0 HA PHE A 34 -9.232 -12.505 -38.289 1.00 71.25 H new ATOM 0 HB2 PHE A 34 -9.211 -9.688 -39.339 1.00 45.01 H new ATOM 0 HB3 PHE A 34 -9.605 -10.979 -40.457 1.00 45.01 H new ATOM 0 HD1 PHE A 34 -11.083 -8.617 -38.513 1.00 50.01 H new ATOM 0 HD2 PHE A 34 -11.263 -12.828 -39.142 1.00 32.15 H new ATOM 0 HE1 PHE A 34 -13.388 -8.644 -37.664 1.00 32.33 H new ATOM 0 HE2 PHE A 34 -13.569 -12.855 -38.298 1.00 24.42 H new ATOM 0 HZ PHE A 34 -14.636 -10.765 -37.556 1.00 24.34 H new ATOM 534 N ASN A 35 -6.562 -11.303 -39.808 1.00 25.20 N ATOM 535 CA ASN A 35 -5.450 -11.656 -40.682 1.00 13.22 C ATOM 536 C ASN A 35 -4.401 -12.468 -39.928 1.00 14.35 C ATOM 537 O ASN A 35 -3.685 -13.276 -40.517 1.00 32.43 O ATOM 538 CB ASN A 35 -4.812 -10.394 -41.266 1.00 15.24 C ATOM 539 CG ASN A 35 -3.521 -10.689 -42.007 1.00 53.00 C ATOM 540 OD1 ASN A 35 -2.428 -10.464 -41.486 1.00 50.44 O ATOM 541 ND2 ASN A 35 -3.643 -11.193 -43.228 1.00 2.01 N ATOM 0 H ASN A 35 -6.498 -10.371 -39.399 1.00 25.20 H new ATOM 0 HA ASN A 35 -5.840 -12.267 -41.496 1.00 13.22 H new ATOM 0 HB2 ASN A 35 -5.517 -9.915 -41.946 1.00 15.24 H new ATOM 0 HB3 ASN A 35 -4.613 -9.685 -40.462 1.00 15.24 H new ATOM 0 HD21 ASN A 35 -2.810 -11.411 -43.775 1.00 2.01 H new ATOM 0 HD22 ASN A 35 -4.569 -11.363 -43.619 1.00 2.01 H new ATOM 548 N ASP A 36 -4.319 -12.248 -38.620 1.00 72.53 N ATOM 549 CA ASP A 36 -3.360 -12.959 -37.784 1.00 31.41 C ATOM 550 C ASP A 36 -3.510 -14.469 -37.949 1.00 53.41 C ATOM 551 O ASP A 36 -2.525 -15.185 -38.125 1.00 51.11 O ATOM 552 CB ASP A 36 -3.546 -12.574 -36.315 1.00 41.52 C ATOM 553 CG ASP A 36 -3.009 -11.189 -36.009 1.00 10.32 C ATOM 554 OD1 ASP A 36 -2.318 -10.614 -36.876 1.00 11.35 O ATOM 555 OD2 ASP A 36 -3.282 -10.680 -34.901 1.00 52.10 O1- ATOM 0 H ASP A 36 -4.906 -11.583 -38.116 1.00 72.53 H new ATOM 0 HA ASP A 36 -2.357 -12.674 -38.102 1.00 31.41 H new ATOM 0 HB2 ASP A 36 -4.606 -12.614 -36.063 1.00 41.52 H new ATOM 0 HB3 ASP A 36 -3.040 -13.305 -35.684 1.00 41.52 H new ATOM 560 N ASN A 37 -4.749 -14.945 -37.888 1.00 14.32 N ATOM 561 CA ASN A 37 -5.028 -16.369 -38.028 1.00 4.12 C ATOM 562 C ASN A 37 -5.662 -16.668 -39.384 1.00 70.12 C ATOM 563 O ASN A 37 -5.627 -17.802 -39.861 1.00 4.34 O ATOM 564 CB ASN A 37 -5.952 -16.843 -36.905 1.00 22.42 C ATOM 565 CG ASN A 37 -5.780 -18.318 -36.597 1.00 54.21 C ATOM 566 OD1 ASN A 37 -5.263 -18.688 -35.543 1.00 50.32 O ATOM 567 ND2 ASN A 37 -6.213 -19.169 -37.521 1.00 64.23 N ATOM 0 H ASN A 37 -5.576 -14.365 -37.743 1.00 14.32 H new ATOM 0 HA ASN A 37 -4.082 -16.907 -37.962 1.00 4.12 H new ATOM 0 HB2 ASN A 37 -5.753 -16.261 -36.005 1.00 22.42 H new ATOM 0 HB3 ASN A 37 -6.988 -16.652 -37.186 1.00 22.42 H new ATOM 0 HD21 ASN A 37 -6.123 -20.174 -37.371 1.00 64.23 H new ATOM 0 HD22 ASN A 37 -6.635 -18.817 -38.380 1.00 64.23 H new ATOM 574 N GLY A 38 -6.241 -15.641 -39.999 1.00 34.21 N ATOM 575 CA GLY A 38 -6.875 -15.815 -41.294 1.00 32.44 C ATOM 576 C GLY A 38 -8.157 -16.617 -41.209 1.00 73.32 C ATOM 577 O GLY A 38 -8.622 -17.167 -42.209 1.00 21.11 O ATOM 0 H GLY A 38 -6.283 -14.693 -39.625 1.00 34.21 H new ATOM 0 HA2 GLY A 38 -7.090 -14.837 -41.724 1.00 32.44 H new ATOM 0 HA3 GLY A 38 -6.182 -16.315 -41.970 1.00 32.44 H new ATOM 581 N LEU A 39 -8.731 -16.688 -40.013 1.00 30.05 N ATOM 582 CA LEU A 39 -9.968 -17.431 -39.800 1.00 63.52 C ATOM 583 C LEU A 39 -11.177 -16.617 -40.250 1.00 44.43 C ATOM 584 O LEU A 39 -11.057 -15.434 -40.571 1.00 45.03 O ATOM 585 CB LEU A 39 -10.112 -17.809 -38.325 1.00 73.54 C ATOM 586 CG LEU A 39 -10.469 -16.667 -37.373 1.00 71.34 C ATOM 587 CD1 LEU A 39 -11.978 -16.539 -37.234 1.00 33.32 C ATOM 588 CD2 LEU A 39 -9.823 -16.887 -36.011 1.00 1.14 C ATOM 0 H LEU A 39 -8.359 -16.240 -39.176 1.00 30.05 H new ATOM 0 HA LEU A 39 -9.924 -18.341 -40.398 1.00 63.52 H new ATOM 0 HB2 LEU A 39 -10.879 -18.579 -38.241 1.00 73.54 H new ATOM 0 HB3 LEU A 39 -9.175 -18.254 -37.991 1.00 73.54 H new ATOM 0 HG LEU A 39 -10.083 -15.737 -37.791 1.00 71.34 H new ATOM 0 HD11 LEU A 39 -12.213 -15.721 -36.553 1.00 33.32 H new ATOM 0 HD12 LEU A 39 -12.417 -16.335 -38.210 1.00 33.32 H new ATOM 0 HD13 LEU A 39 -12.387 -17.469 -36.839 1.00 33.32 H new ATOM 0 HD21 LEU A 39 -10.087 -16.065 -35.346 1.00 1.14 H new ATOM 0 HD22 LEU A 39 -10.179 -17.826 -35.587 1.00 1.14 H new ATOM 0 HD23 LEU A 39 -8.740 -16.928 -36.124 1.00 1.14 H new ATOM 600 N ASP A 40 -12.342 -17.256 -40.267 1.00 23.32 N ATOM 601 CA ASP A 40 -13.574 -16.590 -40.673 1.00 31.44 C ATOM 602 C ASP A 40 -14.649 -16.736 -39.600 1.00 11.13 C ATOM 603 O ASP A 40 -15.371 -17.732 -39.564 1.00 74.43 O ATOM 604 CB ASP A 40 -14.076 -17.165 -41.999 1.00 2.00 C ATOM 605 CG ASP A 40 -14.180 -18.677 -41.972 1.00 43.15 C ATOM 606 OD1 ASP A 40 -15.301 -19.191 -41.774 1.00 34.04 O ATOM 607 OD2 ASP A 40 -13.141 -19.346 -42.149 1.00 1.34 O1- ATOM 0 H ASP A 40 -12.459 -18.235 -40.004 1.00 23.32 H new ATOM 0 HA ASP A 40 -13.360 -15.529 -40.804 1.00 31.44 H new ATOM 0 HB2 ASP A 40 -15.053 -16.741 -42.229 1.00 2.00 H new ATOM 0 HB3 ASP A 40 -13.401 -16.864 -42.801 1.00 2.00 H new ATOM 612 N GLY A 41 -14.749 -15.737 -38.729 1.00 53.44 N ATOM 613 CA GLY A 41 -15.737 -15.774 -37.668 1.00 32.20 C ATOM 614 C GLY A 41 -16.414 -14.434 -37.458 1.00 70.31 C ATOM 615 O GLY A 41 -15.833 -13.388 -37.743 1.00 4.21 O ATOM 0 H GLY A 41 -14.163 -14.902 -38.740 1.00 53.44 H new ATOM 0 HA2 GLY A 41 -16.491 -16.525 -37.904 1.00 32.20 H new ATOM 0 HA3 GLY A 41 -15.257 -16.084 -36.740 1.00 32.20 H new ATOM 619 N GLU A 42 -17.646 -14.467 -36.961 1.00 72.22 N ATOM 620 CA GLU A 42 -18.403 -13.245 -36.716 1.00 62.11 C ATOM 621 C GLU A 42 -18.294 -12.820 -35.254 1.00 0.55 C ATOM 622 O GLU A 42 -18.695 -13.555 -34.352 1.00 35.52 O ATOM 623 CB GLU A 42 -19.872 -13.445 -37.092 1.00 52.01 C ATOM 624 CG GLU A 42 -20.070 -14.138 -38.429 1.00 63.13 C ATOM 625 CD GLU A 42 -19.426 -13.385 -39.577 1.00 44.24 C ATOM 626 OE1 GLU A 42 -20.157 -12.690 -40.314 1.00 70.21 O ATOM 627 OE2 GLU A 42 -18.193 -13.492 -39.740 1.00 43.43 O1- ATOM 0 H GLU A 42 -18.141 -15.326 -36.720 1.00 72.22 H new ATOM 0 HA GLU A 42 -17.980 -12.456 -37.338 1.00 62.11 H new ATOM 0 HB2 GLU A 42 -20.361 -14.030 -36.313 1.00 52.01 H new ATOM 0 HB3 GLU A 42 -20.367 -12.474 -37.119 1.00 52.01 H new ATOM 0 HG2 GLU A 42 -19.652 -15.143 -38.379 1.00 63.13 H new ATOM 0 HG3 GLU A 42 -21.137 -14.246 -38.623 1.00 63.13 H new ATOM 634 N TRP A 43 -17.748 -11.630 -35.030 1.00 51.13 N ATOM 635 CA TRP A 43 -17.585 -11.108 -33.677 1.00 55.51 C ATOM 636 C TRP A 43 -18.787 -10.263 -33.271 1.00 4.43 C ATOM 637 O TRP A 43 -19.288 -9.459 -34.058 1.00 30.20 O ATOM 638 CB TRP A 43 -16.306 -10.275 -33.582 1.00 40.54 C ATOM 639 CG TRP A 43 -15.143 -11.034 -33.017 1.00 12.12 C ATOM 640 CD1 TRP A 43 -14.612 -10.907 -31.765 1.00 3.53 C ATOM 641 CD2 TRP A 43 -14.368 -12.036 -33.682 1.00 33.33 C ATOM 642 NE1 TRP A 43 -13.554 -11.770 -31.613 1.00 21.33 N ATOM 643 CE2 TRP A 43 -13.384 -12.474 -32.775 1.00 10.54 C ATOM 644 CE3 TRP A 43 -14.412 -12.608 -34.957 1.00 60.40 C ATOM 645 CZ2 TRP A 43 -12.453 -13.455 -33.103 1.00 72.42 C ATOM 646 CZ3 TRP A 43 -13.486 -13.582 -35.282 1.00 54.24 C ATOM 647 CH2 TRP A 43 -12.518 -13.998 -34.359 1.00 0.13 C ATOM 0 H TRP A 43 -17.411 -11.009 -35.766 1.00 51.13 H new ATOM 0 HA TRP A 43 -17.512 -11.954 -32.994 1.00 55.51 H new ATOM 0 HB2 TRP A 43 -16.044 -9.910 -34.575 1.00 40.54 H new ATOM 0 HB3 TRP A 43 -16.496 -9.400 -32.960 1.00 40.54 H new ATOM 0 HD1 TRP A 43 -14.971 -10.228 -31.006 1.00 3.53 H new ATOM 0 HE1 TRP A 43 -12.987 -11.870 -30.771 1.00 21.33 H new ATOM 0 HE3 TRP A 43 -15.156 -12.295 -35.675 1.00 60.40 H new ATOM 0 HZ2 TRP A 43 -11.706 -13.777 -32.393 1.00 72.42 H new ATOM 0 HZ3 TRP A 43 -13.509 -14.030 -36.265 1.00 54.24 H new ATOM 0 HH2 TRP A 43 -11.809 -14.762 -34.643 1.00 0.13 H new ATOM 658 N THR A 44 -19.249 -10.450 -32.039 1.00 11.45 N ATOM 659 CA THR A 44 -20.393 -9.707 -31.529 1.00 25.43 C ATOM 660 C THR A 44 -20.122 -9.174 -30.127 1.00 41.45 C ATOM 661 O THR A 44 -19.132 -9.541 -29.494 1.00 0.05 O ATOM 662 CB THR A 44 -21.662 -10.580 -31.499 1.00 41.34 C ATOM 663 OG1 THR A 44 -21.558 -11.629 -32.467 1.00 73.22 O ATOM 664 CG2 THR A 44 -22.900 -9.743 -31.781 1.00 21.42 C ATOM 0 H THR A 44 -18.847 -11.112 -31.375 1.00 11.45 H new ATOM 0 HA THR A 44 -20.554 -8.869 -32.208 1.00 25.43 H new ATOM 0 HB THR A 44 -21.755 -11.014 -30.503 1.00 41.34 H new ATOM 0 HG1 THR A 44 -22.368 -12.180 -32.440 1.00 73.22 H new ATOM 0 HG21 THR A 44 -23.784 -10.380 -31.755 1.00 21.42 H new ATOM 0 HG22 THR A 44 -22.992 -8.963 -31.025 1.00 21.42 H new ATOM 0 HG23 THR A 44 -22.813 -9.284 -32.766 1.00 21.42 H new ATOM 672 N TYR A 45 -21.008 -8.308 -29.647 1.00 33.31 N ATOM 673 CA TYR A 45 -20.864 -7.724 -28.319 1.00 15.32 C ATOM 674 C TYR A 45 -22.052 -8.084 -27.433 1.00 4.44 C ATOM 675 O TYR A 45 -23.186 -7.686 -27.703 1.00 1.35 O ATOM 676 CB TYR A 45 -20.730 -6.204 -28.420 1.00 33.44 C ATOM 677 CG TYR A 45 -21.741 -5.567 -29.348 1.00 21.31 C ATOM 678 CD1 TYR A 45 -21.508 -5.495 -30.716 1.00 21.15 C ATOM 679 CD2 TYR A 45 -22.927 -5.038 -28.857 1.00 22.51 C ATOM 680 CE1 TYR A 45 -22.428 -4.914 -31.567 1.00 30.52 C ATOM 681 CE2 TYR A 45 -23.854 -4.457 -29.701 1.00 23.44 C ATOM 682 CZ TYR A 45 -23.599 -4.397 -31.055 1.00 60.14 C ATOM 683 OH TYR A 45 -24.519 -3.817 -31.899 1.00 31.25 O ATOM 0 H TYR A 45 -21.833 -7.995 -30.158 1.00 33.31 H new ATOM 0 HA TYR A 45 -19.961 -8.133 -27.866 1.00 15.32 H new ATOM 0 HB2 TYR A 45 -20.839 -5.771 -27.426 1.00 33.44 H new ATOM 0 HB3 TYR A 45 -19.726 -5.958 -28.766 1.00 33.44 H new ATOM 0 HD1 TYR A 45 -20.592 -5.900 -31.121 1.00 21.15 H new ATOM 0 HD2 TYR A 45 -23.129 -5.081 -27.797 1.00 22.51 H new ATOM 0 HE1 TYR A 45 -22.231 -4.865 -32.628 1.00 30.52 H new ATOM 0 HE2 TYR A 45 -24.773 -4.052 -29.303 1.00 23.44 H new ATOM 0 HH TYR A 45 -25.288 -3.504 -31.379 1.00 31.25 H new ATOM 693 N ASP A 46 -21.784 -8.839 -26.373 1.00 20.13 N ATOM 694 CA ASP A 46 -22.830 -9.251 -25.445 1.00 54.12 C ATOM 695 C ASP A 46 -22.794 -8.408 -24.174 1.00 74.42 C ATOM 696 O ASP A 46 -22.256 -8.831 -23.151 1.00 23.32 O ATOM 697 CB ASP A 46 -22.673 -10.732 -25.092 1.00 21.25 C ATOM 698 CG ASP A 46 -22.762 -11.629 -26.311 1.00 71.31 C ATOM 699 OD1 ASP A 46 -22.945 -11.099 -27.427 1.00 23.42 O ATOM 700 OD2 ASP A 46 -22.649 -12.862 -26.149 1.00 42.04 O1- ATOM 0 H ASP A 46 -20.852 -9.178 -26.135 1.00 20.13 H new ATOM 0 HA ASP A 46 -23.793 -9.100 -25.933 1.00 54.12 H new ATOM 0 HB2 ASP A 46 -21.712 -10.886 -24.600 1.00 21.25 H new ATOM 0 HB3 ASP A 46 -23.446 -11.016 -24.378 1.00 21.25 H new ATOM 705 N ASP A 47 -23.369 -7.212 -24.248 1.00 54.10 N ATOM 706 CA ASP A 47 -23.402 -6.307 -23.105 1.00 22.40 C ATOM 707 C ASP A 47 -24.062 -6.977 -21.902 1.00 60.53 C ATOM 708 O ASP A 47 -23.804 -6.608 -20.757 1.00 15.12 O ATOM 709 CB ASP A 47 -24.151 -5.024 -23.465 1.00 42.04 C ATOM 710 CG ASP A 47 -23.697 -3.837 -22.639 1.00 23.55 C ATOM 711 OD1 ASP A 47 -24.560 -3.181 -22.017 1.00 10.12 O ATOM 712 OD2 ASP A 47 -22.479 -3.565 -22.611 1.00 52.51 O1- ATOM 0 H ASP A 47 -23.818 -6.847 -25.088 1.00 54.10 H new ATOM 0 HA ASP A 47 -22.375 -6.056 -22.841 1.00 22.40 H new ATOM 0 HB2 ASP A 47 -24.003 -4.805 -24.522 1.00 42.04 H new ATOM 0 HB3 ASP A 47 -25.220 -5.178 -23.318 1.00 42.04 H new ATOM 717 N ALA A 48 -24.913 -7.961 -22.173 1.00 73.25 N ATOM 718 CA ALA A 48 -25.608 -8.681 -21.114 1.00 64.12 C ATOM 719 C ALA A 48 -24.629 -9.189 -20.061 1.00 44.51 C ATOM 720 O ALA A 48 -24.933 -9.203 -18.868 1.00 30.41 O ATOM 721 CB ALA A 48 -26.406 -9.837 -21.697 1.00 73.11 C ATOM 0 H ALA A 48 -25.137 -8.277 -23.116 1.00 73.25 H new ATOM 0 HA ALA A 48 -26.295 -7.988 -20.629 1.00 64.12 H new ATOM 0 HB1 ALA A 48 -26.920 -10.366 -20.894 1.00 73.11 H new ATOM 0 HB2 ALA A 48 -27.139 -9.452 -22.406 1.00 73.11 H new ATOM 0 HB3 ALA A 48 -25.731 -10.523 -22.210 1.00 73.11 H new ATOM 727 N THR A 49 -23.449 -9.609 -20.510 1.00 51.14 N ATOM 728 CA THR A 49 -22.426 -10.121 -19.608 1.00 43.22 C ATOM 729 C THR A 49 -21.082 -9.447 -19.863 1.00 20.11 C ATOM 730 O THR A 49 -20.043 -9.913 -19.393 1.00 63.41 O ATOM 731 CB THR A 49 -22.259 -11.645 -19.753 1.00 2.41 C ATOM 732 OG1 THR A 49 -21.699 -11.956 -21.035 1.00 44.13 O ATOM 733 CG2 THR A 49 -23.596 -12.353 -19.594 1.00 1.21 C ATOM 0 H THR A 49 -23.179 -9.604 -21.494 1.00 51.14 H new ATOM 0 HA THR A 49 -22.757 -9.895 -18.594 1.00 43.22 H new ATOM 0 HB THR A 49 -21.586 -11.991 -18.968 1.00 2.41 H new ATOM 0 HG1 THR A 49 -21.594 -12.927 -21.119 1.00 44.13 H new ATOM 0 HG21 THR A 49 -23.453 -13.428 -19.700 1.00 1.21 H new ATOM 0 HG22 THR A 49 -24.007 -12.137 -18.608 1.00 1.21 H new ATOM 0 HG23 THR A 49 -24.287 -12.001 -20.360 1.00 1.21 H new ATOM 741 N LYS A 50 -21.109 -8.349 -20.608 1.00 43.34 N ATOM 742 CA LYS A 50 -19.892 -7.608 -20.924 1.00 34.34 C ATOM 743 C LYS A 50 -18.824 -8.536 -21.497 1.00 15.35 C ATOM 744 O LYS A 50 -17.695 -8.576 -21.007 1.00 61.42 O ATOM 745 CB LYS A 50 -19.358 -6.908 -19.673 1.00 73.32 C ATOM 746 CG LYS A 50 -20.173 -5.695 -19.260 1.00 51.01 C ATOM 747 CD LYS A 50 -21.303 -6.078 -18.319 1.00 73.55 C ATOM 748 CE LYS A 50 -20.800 -6.287 -16.899 1.00 40.03 C ATOM 749 NZ LYS A 50 -21.911 -6.264 -15.907 1.00 63.54 N1+ ATOM 0 H LYS A 50 -21.960 -7.951 -21.005 1.00 43.34 H new ATOM 0 HA LYS A 50 -20.137 -6.857 -21.676 1.00 34.34 H new ATOM 0 HB2 LYS A 50 -19.339 -7.621 -18.848 1.00 73.32 H new ATOM 0 HB3 LYS A 50 -18.328 -6.600 -19.851 1.00 73.32 H new ATOM 0 HG2 LYS A 50 -19.524 -4.967 -18.773 1.00 51.01 H new ATOM 0 HG3 LYS A 50 -20.584 -5.212 -20.147 1.00 51.01 H new ATOM 0 HD2 LYS A 50 -22.063 -5.297 -18.325 1.00 73.55 H new ATOM 0 HD3 LYS A 50 -21.781 -6.991 -18.675 1.00 73.55 H new ATOM 0 HE2 LYS A 50 -20.277 -7.241 -16.836 1.00 40.03 H new ATOM 0 HE3 LYS A 50 -20.077 -5.510 -16.652 1.00 40.03 H new ATOM 0 HZ1 LYS A 50 -21.527 -6.410 -14.952 1.00 63.54 H new ATOM 0 HZ2 LYS A 50 -22.395 -5.344 -15.949 1.00 63.54 H new ATOM 0 HZ3 LYS A 50 -22.589 -7.022 -16.127 1.00 63.54 H new ATOM 763 N THR A 51 -19.188 -9.279 -22.537 1.00 24.34 N ATOM 764 CA THR A 51 -18.262 -10.205 -23.176 1.00 44.02 C ATOM 765 C THR A 51 -18.493 -10.265 -24.681 1.00 73.53 C ATOM 766 O THR A 51 -19.617 -10.092 -25.152 1.00 14.21 O ATOM 767 CB THR A 51 -18.393 -11.624 -22.591 1.00 41.02 C ATOM 768 OG1 THR A 51 -18.287 -11.577 -21.164 1.00 32.22 O ATOM 769 CG2 THR A 51 -17.320 -12.544 -23.154 1.00 71.14 C ATOM 0 H THR A 51 -20.118 -9.257 -22.955 1.00 24.34 H new ATOM 0 HA THR A 51 -17.257 -9.830 -22.981 1.00 44.02 H new ATOM 0 HB THR A 51 -19.370 -12.019 -22.870 1.00 41.02 H new ATOM 0 HG1 THR A 51 -19.057 -11.096 -20.794 1.00 32.22 H new ATOM 0 HG21 THR A 51 -17.433 -13.540 -22.726 1.00 71.14 H new ATOM 0 HG22 THR A 51 -17.422 -12.601 -24.238 1.00 71.14 H new ATOM 0 HG23 THR A 51 -16.335 -12.151 -22.902 1.00 71.14 H new ATOM 777 N PHE A 52 -17.424 -10.510 -25.431 1.00 5.23 N ATOM 778 CA PHE A 52 -17.512 -10.592 -26.884 1.00 4.32 C ATOM 779 C PHE A 52 -17.686 -12.039 -27.337 1.00 0.13 C ATOM 780 O PHE A 52 -16.795 -12.870 -27.161 1.00 73.45 O ATOM 781 CB PHE A 52 -16.260 -9.993 -27.526 1.00 11.55 C ATOM 782 CG PHE A 52 -15.878 -8.655 -26.960 1.00 52.41 C ATOM 783 CD1 PHE A 52 -16.639 -7.529 -27.234 1.00 44.43 C ATOM 784 CD2 PHE A 52 -14.759 -8.523 -26.153 1.00 61.32 C ATOM 785 CE1 PHE A 52 -16.291 -6.297 -26.714 1.00 54.10 C ATOM 786 CE2 PHE A 52 -14.406 -7.293 -25.630 1.00 14.44 C ATOM 787 CZ PHE A 52 -15.172 -6.178 -25.912 1.00 65.43 C ATOM 0 H PHE A 52 -16.486 -10.655 -25.056 1.00 5.23 H new ATOM 0 HA PHE A 52 -18.384 -10.022 -27.203 1.00 4.32 H new ATOM 0 HB2 PHE A 52 -15.428 -10.685 -27.395 1.00 11.55 H new ATOM 0 HB3 PHE A 52 -16.425 -9.891 -28.599 1.00 11.55 H new ATOM 0 HD1 PHE A 52 -17.514 -7.616 -27.861 1.00 44.43 H new ATOM 0 HD2 PHE A 52 -14.156 -9.391 -25.930 1.00 61.32 H new ATOM 0 HE1 PHE A 52 -16.893 -5.428 -26.934 1.00 54.10 H new ATOM 0 HE2 PHE A 52 -13.532 -7.204 -25.002 1.00 14.44 H new ATOM 0 HZ PHE A 52 -14.897 -5.216 -25.506 1.00 65.43 H new ATOM 797 N THR A 53 -18.843 -12.335 -27.923 1.00 65.24 N ATOM 798 CA THR A 53 -19.136 -13.680 -28.401 1.00 62.11 C ATOM 799 C THR A 53 -18.792 -13.826 -29.879 1.00 71.13 C ATOM 800 O THR A 53 -19.149 -12.979 -30.697 1.00 25.23 O ATOM 801 CB THR A 53 -20.620 -14.039 -28.193 1.00 22.10 C ATOM 802 OG1 THR A 53 -20.850 -15.401 -28.567 1.00 4.10 O ATOM 803 CG2 THR A 53 -21.517 -13.123 -29.012 1.00 73.15 C ATOM 0 H THR A 53 -19.592 -11.660 -28.078 1.00 65.24 H new ATOM 0 HA THR A 53 -18.519 -14.364 -27.818 1.00 62.11 H new ATOM 0 HB THR A 53 -20.860 -13.907 -27.138 1.00 22.10 H new ATOM 0 HG1 THR A 53 -21.795 -15.623 -28.431 1.00 4.10 H new ATOM 0 HG21 THR A 53 -22.560 -13.395 -28.850 1.00 73.15 H new ATOM 0 HG22 THR A 53 -21.359 -12.089 -28.704 1.00 73.15 H new ATOM 0 HG23 THR A 53 -21.275 -13.228 -30.070 1.00 73.15 H new ATOM 811 N VAL A 54 -18.095 -14.908 -30.214 1.00 32.13 N ATOM 812 CA VAL A 54 -17.704 -15.165 -31.596 1.00 13.12 C ATOM 813 C VAL A 54 -18.372 -16.427 -32.130 1.00 43.23 C ATOM 814 O VAL A 54 -17.957 -17.544 -31.817 1.00 33.41 O ATOM 815 CB VAL A 54 -16.177 -15.312 -31.728 1.00 22.02 C ATOM 816 CG1 VAL A 54 -15.773 -15.387 -33.192 1.00 5.33 C ATOM 817 CG2 VAL A 54 -15.468 -14.161 -31.029 1.00 23.13 C ATOM 0 H VAL A 54 -17.790 -15.619 -29.549 1.00 32.13 H new ATOM 0 HA VAL A 54 -18.032 -14.307 -32.183 1.00 13.12 H new ATOM 0 HB VAL A 54 -15.876 -16.241 -31.244 1.00 22.02 H new ATOM 0 HG11 VAL A 54 -14.690 -15.491 -33.266 1.00 5.33 H new ATOM 0 HG12 VAL A 54 -16.253 -16.248 -33.658 1.00 5.33 H new ATOM 0 HG13 VAL A 54 -16.086 -14.476 -33.703 1.00 5.33 H new ATOM 0 HG21 VAL A 54 -14.390 -14.281 -31.132 1.00 23.13 H new ATOM 0 HG22 VAL A 54 -15.773 -13.217 -31.481 1.00 23.13 H new ATOM 0 HG23 VAL A 54 -15.733 -14.159 -29.972 1.00 23.13 H new ATOM 827 N THR A 55 -19.411 -16.243 -32.938 1.00 72.51 N ATOM 828 CA THR A 55 -20.139 -17.366 -33.516 1.00 13.41 C ATOM 829 C THR A 55 -19.890 -17.469 -35.016 1.00 72.34 C ATOM 830 O THR A 55 -20.468 -16.721 -35.803 1.00 31.15 O ATOM 831 CB THR A 55 -21.654 -17.242 -33.266 1.00 42.42 C ATOM 832 OG1 THR A 55 -21.912 -17.134 -31.862 1.00 62.32 O ATOM 833 CG2 THR A 55 -22.396 -18.443 -33.833 1.00 41.24 C ATOM 0 H THR A 55 -19.768 -15.326 -33.207 1.00 72.51 H new ATOM 0 HA THR A 55 -19.770 -18.267 -33.026 1.00 13.41 H new ATOM 0 HB THR A 55 -22.011 -16.344 -33.770 1.00 42.42 H new ATOM 0 HG1 THR A 55 -22.877 -17.054 -31.712 1.00 62.32 H new ATOM 0 HG21 THR A 55 -23.464 -18.333 -33.644 1.00 41.24 H new ATOM 0 HG22 THR A 55 -22.222 -18.505 -34.907 1.00 41.24 H new ATOM 0 HG23 THR A 55 -22.035 -19.353 -33.354 1.00 41.24 H new ATOM 841 N GLU A 56 -19.025 -18.402 -35.404 1.00 35.15 N ATOM 842 CA GLU A 56 -18.700 -18.602 -36.812 1.00 50.02 C ATOM 843 C GLU A 56 -19.937 -19.018 -37.603 1.00 33.31 C ATOM 844 O GLU A 56 -19.907 -19.084 -38.830 1.00 34.50 O ATOM 845 CB GLU A 56 -17.606 -19.662 -36.960 1.00 71.10 C ATOM 846 CG GLU A 56 -17.150 -19.870 -38.395 1.00 33.33 C ATOM 847 CD GLU A 56 -15.715 -20.352 -38.486 1.00 43.00 C ATOM 848 OE1 GLU A 56 -15.435 -21.219 -39.340 1.00 54.40 O ATOM 849 OE2 GLU A 56 -14.873 -19.862 -37.704 1.00 45.43 O1- ATOM 0 H GLU A 56 -18.538 -19.030 -34.765 1.00 35.15 H new ATOM 0 HA GLU A 56 -18.336 -17.656 -37.212 1.00 50.02 H new ATOM 0 HB2 GLU A 56 -16.748 -19.373 -36.353 1.00 71.10 H new ATOM 0 HB3 GLU A 56 -17.973 -20.609 -36.563 1.00 71.10 H new ATOM 0 HG2 GLU A 56 -17.804 -20.595 -38.879 1.00 33.33 H new ATOM 0 HG3 GLU A 56 -17.251 -18.934 -38.944 1.00 33.33 H new