USER MOD reduce.3.24.130724 H: found=0, std=0, add=419, rem=0, adj=16 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 -36:sc= 1.22 USER MOD Set 1.2: A 51 THR OG1 : rot 65:sc= 0.394 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 152:sc= -0.0239 (180deg=-0.489) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.243) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.14) 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+ 162:sc= -0.0551 (180deg=-0.52) USER MOD Single : A 16 THR OG1 : rot 180:sc=-2.83e-05 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.00841 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.115 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= -0.0213 X(o=-0.021,f=-0.25) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc=-0.00677 X(o=-0.0068,f=0) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) 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 -10.553 -0.395 -19.405 1.00 3.32 N ATOM 2 CA MET A 1 -11.632 -1.200 -18.843 1.00 74.22 C ATOM 3 C MET A 1 -11.279 -2.683 -18.877 1.00 73.40 C ATOM 4 O MET A 1 -10.348 -3.095 -19.571 1.00 50.13 O ATOM 5 CB MET A 1 -12.933 -0.956 -19.612 1.00 32.55 C ATOM 6 CG MET A 1 -14.158 -0.858 -18.718 1.00 15.35 C ATOM 7 SD MET A 1 -14.184 0.653 -17.735 1.00 21.01 S ATOM 8 CE MET A 1 -15.948 0.923 -17.576 1.00 55.34 C ATOM 0 H1 MET A 1 -10.946 0.479 -19.808 1.00 3.32 H new ATOM 0 H2 MET A 1 -9.872 -0.156 -18.656 1.00 3.32 H new ATOM 0 H3 MET A 1 -10.071 -0.934 -20.152 1.00 3.32 H new ATOM 0 HA MET A 1 -11.771 -0.902 -17.804 1.00 74.22 H new ATOM 0 HB2 MET A 1 -12.838 -0.035 -20.187 1.00 32.55 H new ATOM 0 HB3 MET A 1 -13.080 -1.765 -20.328 1.00 32.55 H new ATOM 0 HG2 MET A 1 -15.056 -0.901 -19.334 1.00 15.35 H new ATOM 0 HG3 MET A 1 -14.186 -1.720 -18.052 1.00 15.35 H new ATOM 0 HE1 MET A 1 -16.127 1.825 -16.991 1.00 55.34 H new ATOM 0 HE2 MET A 1 -16.389 1.039 -18.566 1.00 55.34 H new ATOM 0 HE3 MET A 1 -16.403 0.069 -17.074 1.00 55.34 H new ATOM 18 N THR A 2 -12.027 -3.483 -18.123 1.00 10.15 N ATOM 19 CA THR A 2 -11.791 -4.920 -18.066 1.00 20.41 C ATOM 20 C THR A 2 -12.842 -5.681 -18.866 1.00 2.24 C ATOM 21 O THR A 2 -14.031 -5.636 -18.550 1.00 31.53 O ATOM 22 CB THR A 2 -11.797 -5.433 -16.614 1.00 61.45 C ATOM 23 OG1 THR A 2 -10.803 -4.743 -15.846 1.00 34.53 O ATOM 24 CG2 THR A 2 -11.531 -6.930 -16.568 1.00 12.34 C ATOM 0 H THR A 2 -12.801 -3.160 -17.543 1.00 10.15 H new ATOM 0 HA THR A 2 -10.808 -5.097 -18.502 1.00 20.41 H new ATOM 0 HB THR A 2 -12.782 -5.242 -16.189 1.00 61.45 H new ATOM 0 HG1 THR A 2 -10.814 -5.074 -14.924 1.00 34.53 H new ATOM 0 HG21 THR A 2 -11.540 -7.269 -15.532 1.00 12.34 H new ATOM 0 HG22 THR A 2 -12.305 -7.454 -17.129 1.00 12.34 H new ATOM 0 HG23 THR A 2 -10.557 -7.140 -17.010 1.00 12.34 H new ATOM 32 N PHE A 3 -12.395 -6.382 -19.903 1.00 71.13 N ATOM 33 CA PHE A 3 -13.298 -7.155 -20.749 1.00 5.34 C ATOM 34 C PHE A 3 -12.676 -8.495 -21.127 1.00 31.35 C ATOM 35 O PHE A 3 -11.495 -8.738 -20.875 1.00 14.10 O ATOM 36 CB PHE A 3 -13.645 -6.366 -22.014 1.00 13.42 C ATOM 37 CG PHE A 3 -14.624 -5.252 -21.776 1.00 61.41 C ATOM 38 CD1 PHE A 3 -15.881 -5.516 -21.255 1.00 3.30 C ATOM 39 CD2 PHE A 3 -14.288 -3.942 -22.073 1.00 14.50 C ATOM 40 CE1 PHE A 3 -16.784 -4.493 -21.035 1.00 51.03 C ATOM 41 CE2 PHE A 3 -15.187 -2.914 -21.855 1.00 61.42 C ATOM 42 CZ PHE A 3 -16.437 -3.191 -21.336 1.00 53.44 C ATOM 0 H PHE A 3 -11.414 -6.431 -20.178 1.00 71.13 H new ATOM 0 HA PHE A 3 -14.211 -7.345 -20.185 1.00 5.34 H new ATOM 0 HB2 PHE A 3 -12.730 -5.951 -22.436 1.00 13.42 H new ATOM 0 HB3 PHE A 3 -14.057 -7.049 -22.757 1.00 13.42 H new ATOM 0 HD1 PHE A 3 -16.158 -6.533 -21.018 1.00 3.30 H new ATOM 0 HD2 PHE A 3 -13.312 -3.720 -22.480 1.00 14.50 H new ATOM 0 HE1 PHE A 3 -17.760 -4.712 -20.628 1.00 51.03 H new ATOM 0 HE2 PHE A 3 -14.912 -1.896 -22.090 1.00 61.42 H new ATOM 0 HZ PHE A 3 -17.142 -2.390 -21.166 1.00 53.44 H new ATOM 52 N LYS A 4 -13.479 -9.363 -21.733 1.00 33.24 N ATOM 53 CA LYS A 4 -13.009 -10.681 -22.147 1.00 21.53 C ATOM 54 C LYS A 4 -13.518 -11.026 -23.543 1.00 64.34 C ATOM 55 O LYS A 4 -14.534 -10.494 -23.992 1.00 12.13 O ATOM 56 CB LYS A 4 -13.467 -11.746 -21.148 1.00 53.22 C ATOM 57 CG LYS A 4 -12.640 -13.018 -21.193 1.00 22.24 C ATOM 58 CD LYS A 4 -13.173 -14.065 -20.229 1.00 3.42 C ATOM 59 CE LYS A 4 -12.845 -13.713 -18.787 1.00 15.10 C ATOM 60 NZ LYS A 4 -11.549 -14.305 -18.352 1.00 54.24 N1+ ATOM 0 H LYS A 4 -14.459 -9.178 -21.949 1.00 33.24 H new ATOM 0 HA LYS A 4 -11.919 -10.659 -22.171 1.00 21.53 H new ATOM 0 HB2 LYS A 4 -13.424 -11.330 -20.141 1.00 53.22 H new ATOM 0 HB3 LYS A 4 -14.510 -11.994 -21.346 1.00 53.22 H new ATOM 0 HG2 LYS A 4 -12.644 -13.420 -22.206 1.00 22.24 H new ATOM 0 HG3 LYS A 4 -11.604 -12.788 -20.945 1.00 22.24 H new ATOM 0 HD2 LYS A 4 -14.253 -14.153 -20.346 1.00 3.42 H new ATOM 0 HD3 LYS A 4 -12.746 -15.037 -20.474 1.00 3.42 H new ATOM 0 HE2 LYS A 4 -12.804 -12.629 -18.678 1.00 15.10 H new ATOM 0 HE3 LYS A 4 -13.643 -14.069 -18.136 1.00 15.10 H new ATOM 0 HZ1 LYS A 4 -11.152 -13.739 -17.575 1.00 54.24 H new ATOM 0 HZ2 LYS A 4 -11.705 -15.280 -18.026 1.00 54.24 H new ATOM 0 HZ3 LYS A 4 -10.884 -14.310 -19.151 1.00 54.24 H new ATOM 74 N ALA A 5 -12.807 -11.919 -24.222 1.00 23.53 N ATOM 75 CA ALA A 5 -13.189 -12.337 -25.565 1.00 20.41 C ATOM 76 C ALA A 5 -13.289 -13.856 -25.660 1.00 72.24 C ATOM 77 O ALA A 5 -12.310 -14.567 -25.430 1.00 53.44 O ATOM 78 CB ALA A 5 -12.194 -11.807 -26.587 1.00 73.13 C ATOM 0 H ALA A 5 -11.963 -12.367 -23.864 1.00 23.53 H new ATOM 0 HA ALA A 5 -14.172 -11.920 -25.782 1.00 20.41 H new ATOM 0 HB1 ALA A 5 -12.492 -12.127 -27.585 1.00 73.13 H new ATOM 0 HB2 ALA A 5 -12.175 -10.718 -26.546 1.00 73.13 H new ATOM 0 HB3 ALA A 5 -11.201 -12.196 -26.363 1.00 73.13 H new ATOM 84 N ILE A 6 -14.477 -14.346 -25.999 1.00 43.32 N ATOM 85 CA ILE A 6 -14.702 -15.780 -26.124 1.00 34.32 C ATOM 86 C ILE A 6 -14.942 -16.175 -27.578 1.00 75.13 C ATOM 87 O ILE A 6 -15.714 -15.529 -28.288 1.00 43.54 O ATOM 88 CB ILE A 6 -15.904 -16.237 -25.276 1.00 0.45 C ATOM 89 CG1 ILE A 6 -15.999 -17.765 -25.268 1.00 74.23 C ATOM 90 CG2 ILE A 6 -17.191 -15.624 -25.806 1.00 73.33 C ATOM 91 CD1 ILE A 6 -15.146 -18.418 -24.204 1.00 10.23 C ATOM 0 H ILE A 6 -15.297 -13.771 -26.192 1.00 43.32 H new ATOM 0 HA ILE A 6 -13.801 -16.273 -25.760 1.00 34.32 H new ATOM 0 HB ILE A 6 -15.757 -15.895 -24.251 1.00 0.45 H new ATOM 0 HG12 ILE A 6 -17.039 -18.055 -25.117 1.00 74.23 H new ATOM 0 HG13 ILE A 6 -15.700 -18.145 -26.245 1.00 74.23 H new ATOM 0 HG21 ILE A 6 -18.031 -15.957 -25.196 1.00 73.33 H new ATOM 0 HG22 ILE A 6 -17.120 -14.537 -25.764 1.00 73.33 H new ATOM 0 HG23 ILE A 6 -17.346 -15.938 -26.838 1.00 73.33 H new ATOM 0 HD11 ILE A 6 -15.263 -19.500 -24.257 1.00 10.23 H new ATOM 0 HD12 ILE A 6 -14.100 -18.158 -24.366 1.00 10.23 H new ATOM 0 HD13 ILE A 6 -15.459 -18.067 -23.221 1.00 10.23 H new ATOM 103 N ILE A 7 -14.277 -17.239 -28.013 1.00 61.12 N ATOM 104 CA ILE A 7 -14.421 -17.721 -29.382 1.00 70.24 C ATOM 105 C ILE A 7 -15.446 -18.847 -29.464 1.00 73.23 C ATOM 106 O ILE A 7 -15.446 -19.762 -28.642 1.00 74.32 O ATOM 107 CB ILE A 7 -13.078 -18.224 -29.946 1.00 43.34 C ATOM 108 CG1 ILE A 7 -11.983 -17.178 -29.723 1.00 24.22 C ATOM 109 CG2 ILE A 7 -13.213 -18.551 -31.425 1.00 55.12 C ATOM 110 CD1 ILE A 7 -12.223 -15.884 -30.470 1.00 21.24 C ATOM 0 H ILE A 7 -13.634 -17.784 -27.439 1.00 61.12 H new ATOM 0 HA ILE A 7 -14.764 -16.876 -29.979 1.00 70.24 H new ATOM 0 HB ILE A 7 -12.797 -19.135 -29.418 1.00 43.34 H new ATOM 0 HG12 ILE A 7 -11.908 -16.964 -28.657 1.00 24.22 H new ATOM 0 HG13 ILE A 7 -11.025 -17.595 -30.033 1.00 24.22 H new ATOM 0 HG21 ILE A 7 -12.256 -18.905 -31.808 1.00 55.12 H new ATOM 0 HG22 ILE A 7 -13.967 -19.327 -31.559 1.00 55.12 H new ATOM 0 HG23 ILE A 7 -13.513 -17.656 -31.970 1.00 55.12 H new ATOM 0 HD11 ILE A 7 -11.408 -15.189 -30.266 1.00 21.24 H new ATOM 0 HD12 ILE A 7 -12.269 -16.085 -31.540 1.00 21.24 H new ATOM 0 HD13 ILE A 7 -13.165 -15.444 -30.143 1.00 21.24 H new ATOM 122 N ASN A 8 -16.319 -18.772 -30.464 1.00 44.31 N ATOM 123 CA ASN A 8 -17.351 -19.785 -30.654 1.00 54.12 C ATOM 124 C ASN A 8 -17.147 -20.528 -31.971 1.00 3.45 C ATOM 125 O ASN A 8 -17.566 -20.062 -33.030 1.00 74.11 O ATOM 126 CB ASN A 8 -18.739 -19.142 -30.628 1.00 64.50 C ATOM 127 CG ASN A 8 -19.831 -20.136 -30.283 1.00 13.51 C ATOM 128 OD1 ASN A 8 -20.152 -21.023 -31.075 1.00 51.34 O ATOM 129 ND2 ASN A 8 -20.408 -19.992 -29.095 1.00 52.55 N ATOM 0 H ASN A 8 -16.332 -18.021 -31.154 1.00 44.31 H new ATOM 0 HA ASN A 8 -17.276 -20.502 -29.836 1.00 54.12 H new ATOM 0 HB2 ASN A 8 -18.747 -18.331 -29.900 1.00 64.50 H new ATOM 0 HB3 ASN A 8 -18.949 -18.699 -31.601 1.00 64.50 H new ATOM 0 HD21 ASN A 8 -21.149 -20.631 -28.807 1.00 52.55 H new ATOM 0 HD22 ASN A 8 -20.110 -19.242 -28.471 1.00 52.55 H new ATOM 136 N GLY A 9 -16.500 -21.688 -31.897 1.00 64.02 N ATOM 137 CA GLY A 9 -16.252 -22.476 -33.089 1.00 71.24 C ATOM 138 C GLY A 9 -16.174 -23.962 -32.796 1.00 4.45 C ATOM 139 O GLY A 9 -15.536 -24.379 -31.830 1.00 51.23 O ATOM 0 H GLY A 9 -16.144 -22.095 -31.032 1.00 64.02 H new ATOM 0 HA2 GLY A 9 -17.045 -22.293 -33.814 1.00 71.24 H new ATOM 0 HA3 GLY A 9 -15.319 -22.150 -33.549 1.00 71.24 H new ATOM 143 N LYS A 10 -16.828 -24.762 -33.631 1.00 61.35 N ATOM 144 CA LYS A 10 -16.832 -26.211 -33.457 1.00 63.23 C ATOM 145 C LYS A 10 -15.487 -26.809 -33.855 1.00 15.24 C ATOM 146 O LYS A 10 -15.014 -27.766 -33.239 1.00 72.44 O ATOM 147 CB LYS A 10 -17.949 -26.842 -34.292 1.00 21.11 C ATOM 148 CG LYS A 10 -18.338 -28.236 -33.831 1.00 0.45 C ATOM 149 CD LYS A 10 -19.013 -28.206 -32.470 1.00 62.51 C ATOM 150 CE LYS A 10 -19.680 -29.534 -32.149 1.00 31.44 C ATOM 151 NZ LYS A 10 -21.067 -29.604 -32.689 1.00 14.44 N1+ ATOM 0 H LYS A 10 -17.362 -24.432 -34.435 1.00 61.35 H new ATOM 0 HA LYS A 10 -17.009 -26.426 -32.403 1.00 63.23 H new ATOM 0 HB2 LYS A 10 -18.827 -26.198 -34.255 1.00 21.11 H new ATOM 0 HB3 LYS A 10 -17.631 -26.888 -35.334 1.00 21.11 H new ATOM 0 HG2 LYS A 10 -19.010 -28.687 -34.561 1.00 0.45 H new ATOM 0 HG3 LYS A 10 -17.449 -28.866 -33.783 1.00 0.45 H new ATOM 0 HD2 LYS A 10 -18.275 -27.973 -31.702 1.00 62.51 H new ATOM 0 HD3 LYS A 10 -19.757 -27.410 -32.449 1.00 62.51 H new ATOM 0 HE2 LYS A 10 -19.087 -30.348 -32.565 1.00 31.44 H new ATOM 0 HE3 LYS A 10 -19.703 -29.677 -31.069 1.00 31.44 H new ATOM 0 HZ1 LYS A 10 -21.487 -30.525 -32.449 1.00 14.44 H new ATOM 0 HZ2 LYS A 10 -21.640 -28.843 -32.273 1.00 14.44 H new ATOM 0 HZ3 LYS A 10 -21.043 -29.493 -33.723 1.00 14.44 H new ATOM 165 N THR A 11 -14.871 -26.240 -34.886 1.00 75.42 N ATOM 166 CA THR A 11 -13.580 -26.717 -35.365 1.00 45.15 C ATOM 167 C THR A 11 -12.463 -26.348 -34.394 1.00 43.34 C ATOM 168 O THR A 11 -11.513 -27.108 -34.208 1.00 53.01 O ATOM 169 CB THR A 11 -13.248 -26.142 -36.755 1.00 51.20 C ATOM 170 OG1 THR A 11 -14.351 -26.345 -37.645 1.00 61.24 O ATOM 171 CG2 THR A 11 -12.000 -26.796 -37.326 1.00 64.34 C ATOM 0 H THR A 11 -15.246 -25.447 -35.406 1.00 75.42 H new ATOM 0 HA THR A 11 -13.651 -27.802 -35.437 1.00 45.15 H new ATOM 0 HB THR A 11 -13.061 -25.073 -36.648 1.00 51.20 H new ATOM 0 HG1 THR A 11 -14.133 -25.975 -38.526 1.00 61.24 H new ATOM 0 HG21 THR A 11 -11.785 -26.374 -38.308 1.00 64.34 H new ATOM 0 HG22 THR A 11 -11.157 -26.614 -36.660 1.00 64.34 H new ATOM 0 HG23 THR A 11 -12.162 -27.870 -37.420 1.00 64.34 H new ATOM 179 N LEU A 12 -12.585 -25.178 -33.778 1.00 14.20 N ATOM 180 CA LEU A 12 -11.585 -24.707 -32.825 1.00 71.25 C ATOM 181 C LEU A 12 -12.198 -23.721 -31.835 1.00 11.25 C ATOM 182 O LEU A 12 -12.929 -22.810 -32.223 1.00 31.51 O ATOM 183 CB LEU A 12 -10.418 -24.049 -33.563 1.00 3.23 C ATOM 184 CG LEU A 12 -9.423 -23.279 -32.694 1.00 35.12 C ATOM 185 CD1 LEU A 12 -8.652 -24.231 -31.793 1.00 11.42 C ATOM 186 CD2 LEU A 12 -8.468 -22.473 -33.563 1.00 24.33 C ATOM 0 H LEU A 12 -13.366 -24.538 -33.921 1.00 14.20 H new ATOM 0 HA LEU A 12 -11.215 -25.568 -32.269 1.00 71.25 H new ATOM 0 HB2 LEU A 12 -9.874 -24.823 -34.104 1.00 3.23 H new ATOM 0 HB3 LEU A 12 -10.825 -23.365 -34.308 1.00 3.23 H new ATOM 0 HG LEU A 12 -9.981 -22.587 -32.063 1.00 35.12 H new ATOM 0 HD11 LEU A 12 -7.949 -23.665 -31.182 1.00 11.42 H new ATOM 0 HD12 LEU A 12 -9.349 -24.763 -31.145 1.00 11.42 H new ATOM 0 HD13 LEU A 12 -8.105 -24.948 -32.405 1.00 11.42 H new ATOM 0 HD21 LEU A 12 -7.767 -21.931 -32.928 1.00 24.33 H new ATOM 0 HD22 LEU A 12 -7.917 -23.146 -34.219 1.00 24.33 H new ATOM 0 HD23 LEU A 12 -9.035 -21.763 -34.165 1.00 24.33 H new ATOM 198 N LYS A 13 -11.892 -23.908 -30.556 1.00 74.53 N ATOM 199 CA LYS A 13 -12.408 -23.033 -29.510 1.00 63.41 C ATOM 200 C LYS A 13 -11.295 -22.607 -28.558 1.00 51.50 C ATOM 201 O LYS A 13 -10.473 -23.423 -28.145 1.00 41.22 O ATOM 202 CB LYS A 13 -13.519 -23.739 -28.729 1.00 61.25 C ATOM 203 CG LYS A 13 -13.995 -22.964 -27.513 1.00 35.23 C ATOM 204 CD LYS A 13 -13.246 -23.379 -26.258 1.00 31.02 C ATOM 205 CE LYS A 13 -13.963 -24.503 -25.526 1.00 52.41 C ATOM 206 NZ LYS A 13 -13.572 -25.842 -26.048 1.00 2.51 N1+ ATOM 0 H LYS A 13 -11.289 -24.658 -30.218 1.00 74.53 H new ATOM 0 HA LYS A 13 -12.816 -22.141 -29.986 1.00 63.41 H new ATOM 0 HB2 LYS A 13 -14.366 -23.911 -29.394 1.00 61.25 H new ATOM 0 HB3 LYS A 13 -13.161 -24.717 -28.408 1.00 61.25 H new ATOM 0 HG2 LYS A 13 -13.857 -21.896 -27.684 1.00 35.23 H new ATOM 0 HG3 LYS A 13 -15.063 -23.128 -27.371 1.00 35.23 H new ATOM 0 HD2 LYS A 13 -12.239 -23.701 -26.524 1.00 31.02 H new ATOM 0 HD3 LYS A 13 -13.141 -22.520 -25.595 1.00 31.02 H new ATOM 0 HE2 LYS A 13 -13.735 -24.447 -24.462 1.00 52.41 H new ATOM 0 HE3 LYS A 13 -15.040 -24.374 -25.628 1.00 52.41 H new ATOM 0 HZ1 LYS A 13 -13.827 -26.573 -25.354 1.00 2.51 H new ATOM 0 HZ2 LYS A 13 -14.070 -26.025 -26.942 1.00 2.51 H new ATOM 0 HZ3 LYS A 13 -12.545 -25.864 -26.213 1.00 2.51 H new ATOM 220 N GLY A 14 -11.277 -21.324 -28.213 1.00 72.31 N ATOM 221 CA GLY A 14 -10.262 -20.812 -27.311 1.00 53.44 C ATOM 222 C GLY A 14 -10.836 -19.891 -26.253 1.00 32.23 C ATOM 223 O GLY A 14 -12.033 -19.930 -25.971 1.00 62.11 O ATOM 0 H GLY A 14 -11.947 -20.629 -28.542 1.00 72.31 H new ATOM 0 HA2 GLY A 14 -9.757 -21.647 -26.826 1.00 53.44 H new ATOM 0 HA3 GLY A 14 -9.508 -20.274 -27.886 1.00 53.44 H new ATOM 227 N GLU A 15 -9.980 -19.059 -25.667 1.00 72.40 N ATOM 228 CA GLU A 15 -10.410 -18.127 -24.631 1.00 14.51 C ATOM 229 C GLU A 15 -9.310 -17.117 -24.319 1.00 2.11 C ATOM 230 O GLU A 15 -8.202 -17.488 -23.931 1.00 50.33 O ATOM 231 CB GLU A 15 -10.800 -18.884 -23.360 1.00 41.21 C ATOM 232 CG GLU A 15 -11.070 -17.979 -22.171 1.00 33.00 C ATOM 233 CD GLU A 15 -9.811 -17.633 -21.402 1.00 5.33 C ATOM 234 OE1 GLU A 15 -9.576 -16.432 -21.157 1.00 42.21 O ATOM 235 OE2 GLU A 15 -9.059 -18.564 -21.045 1.00 1.43 O1- ATOM 0 H GLU A 15 -8.986 -19.011 -25.892 1.00 72.40 H new ATOM 0 HA GLU A 15 -11.281 -17.587 -25.003 1.00 14.51 H new ATOM 0 HB2 GLU A 15 -11.690 -19.480 -23.561 1.00 41.21 H new ATOM 0 HB3 GLU A 15 -10.001 -19.580 -23.102 1.00 41.21 H new ATOM 0 HG2 GLU A 15 -11.543 -17.060 -22.519 1.00 33.00 H new ATOM 0 HG3 GLU A 15 -11.777 -18.468 -21.501 1.00 33.00 H new ATOM 242 N THR A 16 -9.624 -15.836 -24.489 1.00 64.02 N ATOM 243 CA THR A 16 -8.663 -14.772 -24.227 1.00 12.05 C ATOM 244 C THR A 16 -9.337 -13.575 -23.565 1.00 42.21 C ATOM 245 O THR A 16 -10.562 -13.463 -23.559 1.00 10.11 O ATOM 246 CB THR A 16 -7.972 -14.307 -25.522 1.00 72.14 C ATOM 247 OG1 THR A 16 -7.851 -15.405 -26.434 1.00 21.02 O ATOM 248 CG2 THR A 16 -6.594 -13.734 -25.225 1.00 32.22 C ATOM 0 H THR A 16 -10.537 -15.511 -24.807 1.00 64.02 H new ATOM 0 HA THR A 16 -7.912 -15.183 -23.552 1.00 12.05 H new ATOM 0 HB THR A 16 -8.583 -13.526 -25.973 1.00 72.14 H new ATOM 0 HG1 THR A 16 -7.412 -15.101 -27.256 1.00 21.02 H new ATOM 0 HG21 THR A 16 -6.126 -13.412 -26.155 1.00 32.22 H new ATOM 0 HG22 THR A 16 -6.692 -12.881 -24.554 1.00 32.22 H new ATOM 0 HG23 THR A 16 -5.976 -14.498 -24.753 1.00 32.22 H new ATOM 256 N THR A 17 -8.526 -12.679 -23.008 1.00 12.33 N ATOM 257 CA THR A 17 -9.044 -11.490 -22.344 1.00 4.32 C ATOM 258 C THR A 17 -8.739 -10.233 -23.152 1.00 2.10 C ATOM 259 O THR A 17 -7.949 -10.264 -24.095 1.00 50.51 O ATOM 260 CB THR A 17 -8.451 -11.334 -20.930 1.00 64.52 C ATOM 261 OG1 THR A 17 -7.120 -11.862 -20.896 1.00 35.25 O ATOM 262 CG2 THR A 17 -9.313 -12.049 -19.900 1.00 52.12 C ATOM 0 H THR A 17 -7.509 -12.755 -23.004 1.00 12.33 H new ATOM 0 HA THR A 17 -10.124 -11.616 -22.266 1.00 4.32 H new ATOM 0 HB THR A 17 -8.426 -10.272 -20.685 1.00 64.52 H new ATOM 0 HG1 THR A 17 -6.750 -11.758 -19.995 1.00 35.25 H new ATOM 0 HG21 THR A 17 -8.875 -11.925 -18.910 1.00 52.12 H new ATOM 0 HG22 THR A 17 -10.317 -11.625 -19.908 1.00 52.12 H new ATOM 0 HG23 THR A 17 -9.366 -13.110 -20.143 1.00 52.12 H new ATOM 270 N THR A 18 -9.372 -9.127 -22.775 1.00 22.31 N ATOM 271 CA THR A 18 -9.170 -7.858 -23.464 1.00 2.54 C ATOM 272 C THR A 18 -9.339 -6.681 -22.511 1.00 23.33 C ATOM 273 O THR A 18 -10.345 -6.578 -21.811 1.00 54.25 O ATOM 274 CB THR A 18 -10.150 -7.696 -24.641 1.00 23.14 C ATOM 275 OG1 THR A 18 -10.263 -8.931 -25.359 1.00 34.30 O ATOM 276 CG2 THR A 18 -9.687 -6.596 -25.584 1.00 44.33 C ATOM 0 H THR A 18 -10.029 -9.084 -21.996 1.00 22.31 H new ATOM 0 HA THR A 18 -8.150 -7.866 -23.848 1.00 2.54 H new ATOM 0 HB THR A 18 -11.124 -7.420 -24.238 1.00 23.14 H new ATOM 0 HG1 THR A 18 -10.889 -8.820 -26.105 1.00 34.30 H new ATOM 0 HG21 THR A 18 -10.395 -6.500 -26.407 1.00 44.33 H new ATOM 0 HG22 THR A 18 -9.631 -5.652 -25.042 1.00 44.33 H new ATOM 0 HG23 THR A 18 -8.703 -6.846 -25.980 1.00 44.33 H new ATOM 284 N GLU A 19 -8.348 -5.795 -22.490 1.00 43.54 N ATOM 285 CA GLU A 19 -8.389 -4.624 -21.622 1.00 43.13 C ATOM 286 C GLU A 19 -8.283 -3.338 -22.437 1.00 53.51 C ATOM 287 O GLU A 19 -7.204 -2.973 -22.902 1.00 62.32 O ATOM 288 CB GLU A 19 -7.257 -4.685 -20.594 1.00 75.33 C ATOM 289 CG GLU A 19 -7.249 -3.513 -19.628 1.00 64.13 C ATOM 290 CD GLU A 19 -6.011 -3.487 -18.751 1.00 55.41 C ATOM 291 OE1 GLU A 19 -4.995 -2.901 -19.178 1.00 63.52 O ATOM 292 OE2 GLU A 19 -6.060 -4.053 -17.639 1.00 10.35 O1- ATOM 0 H GLU A 19 -7.508 -5.866 -23.064 1.00 43.54 H new ATOM 0 HA GLU A 19 -9.346 -4.624 -21.099 1.00 43.13 H new ATOM 0 HB2 GLU A 19 -7.342 -5.612 -20.027 1.00 75.33 H new ATOM 0 HB3 GLU A 19 -6.302 -4.719 -21.119 1.00 75.33 H new ATOM 0 HG2 GLU A 19 -7.310 -2.582 -20.192 1.00 64.13 H new ATOM 0 HG3 GLU A 19 -8.136 -3.562 -18.996 1.00 64.13 H new ATOM 299 N ALA A 20 -9.411 -2.656 -22.605 1.00 42.41 N ATOM 300 CA ALA A 20 -9.446 -1.411 -23.361 1.00 61.43 C ATOM 301 C ALA A 20 -10.482 -0.450 -22.790 1.00 34.43 C ATOM 302 O ALA A 20 -11.482 -0.873 -22.208 1.00 52.30 O ATOM 303 CB ALA A 20 -9.736 -1.693 -24.828 1.00 42.42 C ATOM 0 H ALA A 20 -10.313 -2.945 -22.227 1.00 42.41 H new ATOM 0 HA ALA A 20 -8.467 -0.938 -23.279 1.00 61.43 H new ATOM 0 HB1 ALA A 20 -9.759 -0.754 -25.381 1.00 42.42 H new ATOM 0 HB2 ALA A 20 -8.956 -2.335 -25.236 1.00 42.42 H new ATOM 0 HB3 ALA A 20 -10.701 -2.192 -24.919 1.00 42.42 H new ATOM 309 N VAL A 21 -10.238 0.845 -22.957 1.00 11.54 N ATOM 310 CA VAL A 21 -11.150 1.867 -22.457 1.00 64.42 C ATOM 311 C VAL A 21 -12.179 2.248 -23.515 1.00 23.33 C ATOM 312 O VAL A 21 -13.291 2.670 -23.191 1.00 70.44 O ATOM 313 CB VAL A 21 -10.389 3.132 -22.017 1.00 32.04 C ATOM 314 CG1 VAL A 21 -9.599 3.712 -23.180 1.00 72.54 C ATOM 315 CG2 VAL A 21 -11.355 4.162 -21.451 1.00 45.25 C ATOM 0 H VAL A 21 -9.415 1.212 -23.435 1.00 11.54 H new ATOM 0 HA VAL A 21 -11.661 1.441 -21.593 1.00 64.42 H new ATOM 0 HB VAL A 21 -9.684 2.858 -21.232 1.00 32.04 H new ATOM 0 HG11 VAL A 21 -9.068 4.605 -22.850 1.00 72.54 H new ATOM 0 HG12 VAL A 21 -8.881 2.974 -23.536 1.00 72.54 H new ATOM 0 HG13 VAL A 21 -10.281 3.974 -23.989 1.00 72.54 H new ATOM 0 HG21 VAL A 21 -10.802 5.050 -21.145 1.00 45.25 H new ATOM 0 HG22 VAL A 21 -12.085 4.434 -22.214 1.00 45.25 H new ATOM 0 HG23 VAL A 21 -11.872 3.741 -20.589 1.00 45.25 H new ATOM 325 N ASP A 22 -11.804 2.098 -24.780 1.00 42.31 N ATOM 326 CA ASP A 22 -12.695 2.425 -25.887 1.00 1.33 C ATOM 327 C ASP A 22 -13.069 1.172 -26.672 1.00 73.21 C ATOM 328 O ASP A 22 -12.330 0.188 -26.679 1.00 2.50 O ATOM 329 CB ASP A 22 -12.036 3.446 -26.816 1.00 0.34 C ATOM 330 CG ASP A 22 -12.058 4.849 -26.242 1.00 65.24 C ATOM 331 OD1 ASP A 22 -12.030 4.984 -25.000 1.00 31.54 O ATOM 332 OD2 ASP A 22 -12.104 5.814 -27.034 1.00 73.30 O1- ATOM 0 H ASP A 22 -10.888 1.752 -25.065 1.00 42.31 H new ATOM 0 HA ASP A 22 -13.606 2.857 -25.472 1.00 1.33 H new ATOM 0 HB2 ASP A 22 -11.004 3.149 -27.004 1.00 0.34 H new ATOM 0 HB3 ASP A 22 -12.549 3.442 -27.778 1.00 0.34 H new ATOM 337 N ALA A 23 -14.221 1.215 -27.333 1.00 3.24 N ATOM 338 CA ALA A 23 -14.693 0.084 -28.122 1.00 54.33 C ATOM 339 C ALA A 23 -13.812 -0.136 -29.347 1.00 5.03 C ATOM 340 O ALA A 23 -13.591 -1.271 -29.769 1.00 12.02 O ATOM 341 CB ALA A 23 -16.140 0.300 -28.542 1.00 24.43 C ATOM 0 H ALA A 23 -14.845 2.022 -27.338 1.00 3.24 H new ATOM 0 HA ALA A 23 -14.636 -0.810 -27.501 1.00 54.33 H new ATOM 0 HB1 ALA A 23 -16.479 -0.552 -29.131 1.00 24.43 H new ATOM 0 HB2 ALA A 23 -16.765 0.400 -27.655 1.00 24.43 H new ATOM 0 HB3 ALA A 23 -16.213 1.207 -29.142 1.00 24.43 H new ATOM 347 N ALA A 24 -13.312 0.958 -29.915 1.00 2.42 N ATOM 348 CA ALA A 24 -12.453 0.883 -31.091 1.00 1.04 C ATOM 349 C ALA A 24 -11.125 0.211 -30.759 1.00 20.15 C ATOM 350 O ALA A 24 -10.621 -0.606 -31.531 1.00 1.23 O ATOM 351 CB ALA A 24 -12.216 2.275 -31.658 1.00 53.41 C ATOM 0 H ALA A 24 -13.487 1.905 -29.580 1.00 2.42 H new ATOM 0 HA ALA A 24 -12.958 0.276 -31.843 1.00 1.04 H new ATOM 0 HB1 ALA A 24 -11.573 2.206 -32.536 1.00 53.41 H new ATOM 0 HB2 ALA A 24 -13.170 2.720 -31.941 1.00 53.41 H new ATOM 0 HB3 ALA A 24 -11.735 2.898 -30.904 1.00 53.41 H new ATOM 357 N THR A 25 -10.562 0.560 -29.607 1.00 32.45 N ATOM 358 CA THR A 25 -9.291 -0.008 -29.174 1.00 64.24 C ATOM 359 C THR A 25 -9.352 -1.531 -29.145 1.00 62.03 C ATOM 360 O THR A 25 -8.360 -2.207 -29.419 1.00 44.02 O ATOM 361 CB THR A 25 -8.891 0.505 -27.779 1.00 73.41 C ATOM 362 OG1 THR A 25 -8.761 1.930 -27.800 1.00 72.11 O ATOM 363 CG2 THR A 25 -7.582 -0.123 -27.325 1.00 4.30 C ATOM 0 H THR A 25 -10.966 1.234 -28.956 1.00 32.45 H new ATOM 0 HA THR A 25 -8.540 0.310 -29.898 1.00 64.24 H new ATOM 0 HB THR A 25 -9.673 0.223 -27.075 1.00 73.41 H new ATOM 0 HG1 THR A 25 -8.508 2.249 -26.908 1.00 72.11 H new ATOM 0 HG21 THR A 25 -7.320 0.255 -26.337 1.00 4.30 H new ATOM 0 HG22 THR A 25 -7.694 -1.206 -27.281 1.00 4.30 H new ATOM 0 HG23 THR A 25 -6.792 0.132 -28.032 1.00 4.30 H new ATOM 371 N ALA A 26 -10.521 -2.067 -28.813 1.00 74.02 N ATOM 372 CA ALA A 26 -10.711 -3.511 -28.750 1.00 53.15 C ATOM 373 C ALA A 26 -10.935 -4.095 -30.141 1.00 23.31 C ATOM 374 O ALA A 26 -10.654 -5.268 -30.383 1.00 2.03 O ATOM 375 CB ALA A 26 -11.880 -3.851 -27.838 1.00 11.33 C ATOM 0 H ALA A 26 -11.352 -1.522 -28.583 1.00 74.02 H new ATOM 0 HA ALA A 26 -9.804 -3.955 -28.339 1.00 53.15 H new ATOM 0 HB1 ALA A 26 -12.010 -4.933 -27.801 1.00 11.33 H new ATOM 0 HB2 ALA A 26 -11.680 -3.475 -26.835 1.00 11.33 H new ATOM 0 HB3 ALA A 26 -12.789 -3.390 -28.224 1.00 11.33 H new ATOM 381 N GLU A 27 -11.445 -3.269 -31.049 1.00 4.11 N ATOM 382 CA GLU A 27 -11.708 -3.706 -32.415 1.00 11.53 C ATOM 383 C GLU A 27 -10.405 -3.900 -33.185 1.00 23.50 C ATOM 384 O GLU A 27 -10.220 -4.905 -33.873 1.00 52.42 O ATOM 385 CB GLU A 27 -12.594 -2.690 -33.138 1.00 72.31 C ATOM 386 CG GLU A 27 -14.081 -2.955 -32.977 1.00 43.22 C ATOM 387 CD GLU A 27 -14.499 -4.299 -33.543 1.00 0.43 C ATOM 388 OE1 GLU A 27 -14.989 -5.143 -32.763 1.00 23.21 O ATOM 389 OE2 GLU A 27 -14.335 -4.507 -34.762 1.00 4.43 O1- ATOM 0 H GLU A 27 -11.684 -2.295 -30.864 1.00 4.11 H new ATOM 0 HA GLU A 27 -12.228 -4.663 -32.369 1.00 11.53 H new ATOM 0 HB2 GLU A 27 -12.369 -1.692 -32.762 1.00 72.31 H new ATOM 0 HB3 GLU A 27 -12.346 -2.694 -34.199 1.00 72.31 H new ATOM 0 HG2 GLU A 27 -14.341 -2.914 -31.919 1.00 43.22 H new ATOM 0 HG3 GLU A 27 -14.643 -2.165 -33.475 1.00 43.22 H new ATOM 396 N LYS A 28 -9.504 -2.931 -33.066 1.00 43.34 N ATOM 397 CA LYS A 28 -8.218 -2.993 -33.749 1.00 2.12 C ATOM 398 C LYS A 28 -7.424 -4.217 -33.303 1.00 23.24 C ATOM 399 O LYS A 28 -6.601 -4.742 -34.054 1.00 44.21 O ATOM 400 CB LYS A 28 -7.410 -1.721 -33.476 1.00 40.24 C ATOM 401 CG LYS A 28 -7.067 -1.522 -32.010 1.00 74.32 C ATOM 402 CD LYS A 28 -6.007 -0.448 -31.827 1.00 34.15 C ATOM 403 CE LYS A 28 -5.238 -0.640 -30.529 1.00 4.23 C ATOM 404 NZ LYS A 28 -4.598 0.624 -30.071 1.00 4.24 N1+ ATOM 0 H LYS A 28 -9.641 -2.092 -32.502 1.00 43.34 H new ATOM 0 HA LYS A 28 -8.407 -3.074 -34.819 1.00 2.12 H new ATOM 0 HB2 LYS A 28 -6.487 -1.755 -34.055 1.00 40.24 H new ATOM 0 HB3 LYS A 28 -7.976 -0.859 -33.829 1.00 40.24 H new ATOM 0 HG2 LYS A 28 -7.966 -1.245 -31.459 1.00 74.32 H new ATOM 0 HG3 LYS A 28 -6.711 -2.462 -31.588 1.00 74.32 H new ATOM 0 HD2 LYS A 28 -5.314 -0.472 -32.668 1.00 34.15 H new ATOM 0 HD3 LYS A 28 -6.479 0.535 -31.830 1.00 34.15 H new ATOM 0 HE2 LYS A 28 -5.915 -1.005 -29.757 1.00 4.23 H new ATOM 0 HE3 LYS A 28 -4.473 -1.404 -30.670 1.00 4.23 H new ATOM 0 HZ1 LYS A 28 -4.084 0.451 -29.184 1.00 4.24 H new ATOM 0 HZ2 LYS A 28 -3.933 0.959 -30.797 1.00 4.24 H new ATOM 0 HZ3 LYS A 28 -5.330 1.346 -29.912 1.00 4.24 H new ATOM 418 N VAL A 29 -7.676 -4.667 -32.079 1.00 21.30 N ATOM 419 CA VAL A 29 -6.986 -5.830 -31.535 1.00 25.12 C ATOM 420 C VAL A 29 -7.363 -7.097 -32.296 1.00 3.02 C ATOM 421 O VAL A 29 -6.506 -7.924 -32.608 1.00 53.33 O ATOM 422 CB VAL A 29 -7.310 -6.027 -30.042 1.00 45.21 C ATOM 423 CG1 VAL A 29 -6.594 -7.255 -29.498 1.00 44.51 C ATOM 424 CG2 VAL A 29 -6.933 -4.785 -29.248 1.00 72.10 C ATOM 0 H VAL A 29 -8.353 -4.244 -31.445 1.00 21.30 H new ATOM 0 HA VAL A 29 -5.918 -5.646 -31.646 1.00 25.12 H new ATOM 0 HB VAL A 29 -8.383 -6.186 -29.938 1.00 45.21 H new ATOM 0 HG11 VAL A 29 -6.835 -7.378 -28.442 1.00 44.51 H new ATOM 0 HG12 VAL A 29 -6.917 -8.138 -30.049 1.00 44.51 H new ATOM 0 HG13 VAL A 29 -5.517 -7.129 -29.612 1.00 44.51 H new ATOM 0 HG21 VAL A 29 -7.168 -4.941 -28.195 1.00 72.10 H new ATOM 0 HG22 VAL A 29 -5.865 -4.594 -29.357 1.00 72.10 H new ATOM 0 HG23 VAL A 29 -7.495 -3.929 -29.623 1.00 72.10 H new ATOM 434 N PHE A 30 -8.649 -7.243 -32.592 1.00 64.42 N ATOM 435 CA PHE A 30 -9.140 -8.410 -33.317 1.00 35.02 C ATOM 436 C PHE A 30 -8.766 -8.329 -34.794 1.00 62.14 C ATOM 437 O PHE A 30 -8.636 -9.350 -35.470 1.00 3.15 O ATOM 438 CB PHE A 30 -10.658 -8.526 -33.169 1.00 12.44 C ATOM 439 CG PHE A 30 -11.131 -8.435 -31.746 1.00 52.15 C ATOM 440 CD1 PHE A 30 -12.189 -7.606 -31.405 1.00 52.04 C ATOM 441 CD2 PHE A 30 -10.519 -9.178 -30.750 1.00 11.01 C ATOM 442 CE1 PHE A 30 -12.626 -7.520 -30.097 1.00 11.44 C ATOM 443 CE2 PHE A 30 -10.953 -9.097 -29.440 1.00 32.40 C ATOM 444 CZ PHE A 30 -12.006 -8.266 -29.113 1.00 5.33 C ATOM 0 H PHE A 30 -9.371 -6.568 -32.341 1.00 64.42 H new ATOM 0 HA PHE A 30 -8.671 -9.297 -32.890 1.00 35.02 H new ATOM 0 HB2 PHE A 30 -11.133 -7.737 -33.752 1.00 12.44 H new ATOM 0 HB3 PHE A 30 -10.985 -9.476 -33.592 1.00 12.44 H new ATOM 0 HD1 PHE A 30 -12.677 -7.021 -32.170 1.00 52.04 H new ATOM 0 HD2 PHE A 30 -9.693 -9.828 -31.000 1.00 11.01 H new ATOM 0 HE1 PHE A 30 -13.451 -6.871 -29.844 1.00 11.44 H new ATOM 0 HE2 PHE A 30 -10.469 -9.683 -28.673 1.00 32.40 H new ATOM 0 HZ PHE A 30 -12.345 -8.199 -28.090 1.00 5.33 H new ATOM 454 N LYS A 31 -8.595 -7.108 -35.288 1.00 13.35 N ATOM 455 CA LYS A 31 -8.235 -6.892 -36.686 1.00 22.03 C ATOM 456 C LYS A 31 -6.993 -7.694 -37.057 1.00 4.01 C ATOM 457 O LYS A 31 -6.863 -8.165 -38.187 1.00 74.12 O ATOM 458 CB LYS A 31 -7.992 -5.403 -36.946 1.00 52.34 C ATOM 459 CG LYS A 31 -7.676 -5.084 -38.397 1.00 74.40 C ATOM 460 CD LYS A 31 -8.944 -4.903 -39.216 1.00 13.51 C ATOM 461 CE LYS A 31 -8.654 -4.241 -40.554 1.00 21.40 C ATOM 462 NZ LYS A 31 -8.085 -5.205 -41.537 1.00 50.35 N1+ ATOM 0 H LYS A 31 -8.700 -6.253 -34.742 1.00 13.35 H new ATOM 0 HA LYS A 31 -9.064 -7.232 -37.307 1.00 22.03 H new ATOM 0 HB2 LYS A 31 -8.875 -4.841 -36.643 1.00 52.34 H new ATOM 0 HB3 LYS A 31 -7.167 -5.063 -36.320 1.00 52.34 H new ATOM 0 HG2 LYS A 31 -7.075 -4.176 -38.449 1.00 74.40 H new ATOM 0 HG3 LYS A 31 -7.077 -5.887 -38.825 1.00 74.40 H new ATOM 0 HD2 LYS A 31 -9.412 -5.873 -39.383 1.00 13.51 H new ATOM 0 HD3 LYS A 31 -9.657 -4.297 -38.656 1.00 13.51 H new ATOM 0 HE2 LYS A 31 -9.573 -3.813 -40.955 1.00 21.40 H new ATOM 0 HE3 LYS A 31 -7.956 -3.417 -40.408 1.00 21.40 H new ATOM 0 HZ1 LYS A 31 -7.901 -4.716 -42.436 1.00 50.35 H new ATOM 0 HZ2 LYS A 31 -7.195 -5.594 -41.166 1.00 50.35 H new ATOM 0 HZ3 LYS A 31 -8.762 -5.979 -41.696 1.00 50.35 H new ATOM 476 N GLN A 32 -6.083 -7.847 -36.100 1.00 12.22 N ATOM 477 CA GLN A 32 -4.852 -8.593 -36.328 1.00 64.31 C ATOM 478 C GLN A 32 -5.099 -10.095 -36.227 1.00 73.14 C ATOM 479 O GLN A 32 -4.390 -10.892 -36.843 1.00 72.14 O ATOM 480 CB GLN A 32 -3.781 -8.171 -35.320 1.00 31.11 C ATOM 481 CG GLN A 32 -2.420 -8.800 -35.580 1.00 43.12 C ATOM 482 CD GLN A 32 -1.563 -8.869 -34.332 1.00 30.42 C ATOM 483 OE1 GLN A 32 -2.008 -9.335 -33.283 1.00 41.20 O ATOM 484 NE2 GLN A 32 -0.324 -8.402 -34.439 1.00 61.01 N ATOM 0 H GLN A 32 -6.176 -7.464 -35.159 1.00 12.22 H new ATOM 0 HA GLN A 32 -4.502 -8.368 -37.335 1.00 64.31 H new ATOM 0 HB2 GLN A 32 -3.681 -7.086 -35.342 1.00 31.11 H new ATOM 0 HB3 GLN A 32 -4.111 -8.441 -34.317 1.00 31.11 H new ATOM 0 HG2 GLN A 32 -2.558 -9.805 -35.978 1.00 43.12 H new ATOM 0 HG3 GLN A 32 -1.898 -8.224 -36.344 1.00 43.12 H new ATOM 0 HE21 GLN A 32 0.004 -8.024 -35.328 1.00 61.01 H new ATOM 0 HE22 GLN A 32 0.300 -8.421 -33.632 1.00 61.01 H new ATOM 493 N TYR A 33 -6.106 -10.473 -35.449 1.00 0.51 N ATOM 494 CA TYR A 33 -6.444 -11.879 -35.265 1.00 64.52 C ATOM 495 C TYR A 33 -7.110 -12.446 -36.515 1.00 3.34 C ATOM 496 O TYR A 33 -7.042 -13.648 -36.777 1.00 3.14 O ATOM 497 CB TYR A 33 -7.369 -12.049 -34.058 1.00 74.12 C ATOM 498 CG TYR A 33 -6.632 -12.205 -32.748 1.00 2.13 C ATOM 499 CD1 TYR A 33 -5.911 -11.148 -32.204 1.00 44.13 C ATOM 500 CD2 TYR A 33 -6.655 -13.408 -32.052 1.00 14.23 C ATOM 501 CE1 TYR A 33 -5.236 -11.285 -31.007 1.00 22.11 C ATOM 502 CE2 TYR A 33 -5.984 -13.554 -30.855 1.00 11.55 C ATOM 503 CZ TYR A 33 -5.275 -12.489 -30.336 1.00 40.41 C ATOM 504 OH TYR A 33 -4.605 -12.631 -29.143 1.00 2.51 O ATOM 0 H TYR A 33 -6.703 -9.825 -34.935 1.00 0.51 H new ATOM 0 HA TYR A 33 -5.520 -12.429 -35.086 1.00 64.52 H new ATOM 0 HB2 TYR A 33 -8.030 -11.185 -33.993 1.00 74.12 H new ATOM 0 HB3 TYR A 33 -8.001 -12.923 -34.216 1.00 74.12 H new ATOM 0 HD1 TYR A 33 -5.878 -10.203 -32.727 1.00 44.13 H new ATOM 0 HD2 TYR A 33 -7.208 -14.243 -32.455 1.00 14.23 H new ATOM 0 HE1 TYR A 33 -4.681 -10.454 -30.599 1.00 22.11 H new ATOM 0 HE2 TYR A 33 -6.013 -14.496 -30.327 1.00 11.55 H new ATOM 0 HH TYR A 33 -4.735 -13.540 -28.801 1.00 2.51 H new ATOM 514 N PHE A 34 -7.753 -11.574 -37.283 1.00 1.24 N ATOM 515 CA PHE A 34 -8.432 -11.986 -38.506 1.00 71.25 C ATOM 516 C PHE A 34 -7.493 -12.782 -39.408 1.00 75.23 C ATOM 517 O PHE A 34 -7.907 -13.737 -40.064 1.00 24.13 O ATOM 518 CB PHE A 34 -8.963 -10.764 -39.257 1.00 45.01 C ATOM 519 CG PHE A 34 -9.960 -11.104 -40.328 1.00 40.33 C ATOM 520 CD1 PHE A 34 -9.545 -11.671 -41.523 1.00 50.01 C ATOM 521 CD2 PHE A 34 -11.310 -10.857 -40.141 1.00 32.15 C ATOM 522 CE1 PHE A 34 -10.459 -11.985 -42.511 1.00 32.33 C ATOM 523 CE2 PHE A 34 -12.228 -11.171 -41.125 1.00 24.42 C ATOM 524 CZ PHE A 34 -11.801 -11.735 -42.312 1.00 24.34 C ATOM 0 H PHE A 34 -7.818 -10.576 -37.080 1.00 1.24 H new ATOM 0 HA PHE A 34 -9.270 -12.625 -38.228 1.00 71.25 H new ATOM 0 HB2 PHE A 34 -9.426 -10.082 -38.544 1.00 45.01 H new ATOM 0 HB3 PHE A 34 -8.125 -10.232 -39.708 1.00 45.01 H new ATOM 0 HD1 PHE A 34 -8.496 -11.870 -41.684 1.00 50.01 H new ATOM 0 HD2 PHE A 34 -11.649 -10.414 -39.216 1.00 32.15 H new ATOM 0 HE1 PHE A 34 -10.123 -12.426 -43.438 1.00 32.33 H new ATOM 0 HE2 PHE A 34 -13.278 -10.976 -40.966 1.00 24.42 H new ATOM 0 HZ PHE A 34 -12.517 -11.980 -43.083 1.00 24.34 H new ATOM 534 N ASN A 35 -6.226 -12.380 -39.434 1.00 25.20 N ATOM 535 CA ASN A 35 -5.228 -13.054 -40.256 1.00 13.22 C ATOM 536 C ASN A 35 -4.662 -14.274 -39.534 1.00 14.35 C ATOM 537 O ASN A 35 -4.305 -15.270 -40.163 1.00 32.43 O ATOM 538 CB ASN A 35 -4.095 -12.089 -40.613 1.00 15.24 C ATOM 539 CG ASN A 35 -3.316 -12.540 -41.835 1.00 53.00 C ATOM 540 OD1 ASN A 35 -2.155 -12.935 -41.732 1.00 50.44 O ATOM 541 ND2 ASN A 35 -3.953 -12.480 -42.998 1.00 2.01 N ATOM 0 H ASN A 35 -5.867 -11.592 -38.896 1.00 25.20 H new ATOM 0 HA ASN A 35 -5.714 -13.389 -41.172 1.00 13.22 H new ATOM 0 HB2 ASN A 35 -4.509 -11.097 -40.795 1.00 15.24 H new ATOM 0 HB3 ASN A 35 -3.416 -12.000 -39.765 1.00 15.24 H new ATOM 0 HD21 ASN A 35 -3.480 -12.768 -43.854 1.00 2.01 H new ATOM 0 HD22 ASN A 35 -4.916 -12.146 -43.035 1.00 2.01 H new ATOM 548 N ASP A 36 -4.585 -14.187 -38.211 1.00 72.53 N ATOM 549 CA ASP A 36 -4.065 -15.284 -37.402 1.00 31.41 C ATOM 550 C ASP A 36 -4.862 -16.563 -37.643 1.00 53.41 C ATOM 551 O ASP A 36 -4.327 -17.666 -37.549 1.00 51.11 O ATOM 552 CB ASP A 36 -4.105 -14.916 -35.918 1.00 41.52 C ATOM 553 CG ASP A 36 -3.069 -13.871 -35.554 1.00 10.32 C ATOM 554 OD1 ASP A 36 -2.992 -13.501 -34.363 1.00 11.35 O ATOM 555 OD2 ASP A 36 -2.334 -13.423 -36.458 1.00 52.10 O1- ATOM 0 H ASP A 36 -4.876 -13.369 -37.676 1.00 72.53 H new ATOM 0 HA ASP A 36 -3.031 -15.461 -37.697 1.00 31.41 H new ATOM 0 HB2 ASP A 36 -5.098 -14.543 -35.666 1.00 41.52 H new ATOM 0 HB3 ASP A 36 -3.939 -15.812 -35.320 1.00 41.52 H new ATOM 560 N ASN A 37 -6.145 -16.404 -37.953 1.00 14.32 N ATOM 561 CA ASN A 37 -7.017 -17.546 -38.206 1.00 4.12 C ATOM 562 C ASN A 37 -7.305 -17.691 -39.696 1.00 70.12 C ATOM 563 O ASN A 37 -7.682 -18.764 -40.165 1.00 4.34 O ATOM 564 CB ASN A 37 -8.329 -17.392 -37.433 1.00 22.42 C ATOM 565 CG ASN A 37 -8.105 -17.053 -35.973 1.00 54.21 C ATOM 566 OD1 ASN A 37 -7.356 -17.736 -35.273 1.00 50.32 O ATOM 567 ND2 ASN A 37 -8.753 -15.992 -35.506 1.00 64.23 N ATOM 0 H ASN A 37 -6.603 -15.497 -38.035 1.00 14.32 H new ATOM 0 HA ASN A 37 -6.505 -18.446 -37.865 1.00 4.12 H new ATOM 0 HB2 ASN A 37 -8.930 -16.610 -37.896 1.00 22.42 H new ATOM 0 HB3 ASN A 37 -8.900 -18.318 -37.504 1.00 22.42 H new ATOM 0 HD21 ASN A 37 -8.640 -15.714 -34.531 1.00 64.23 H new ATOM 0 HD22 ASN A 37 -9.363 -15.455 -36.122 1.00 64.23 H new ATOM 574 N GLY A 38 -7.125 -16.601 -40.437 1.00 34.21 N ATOM 575 CA GLY A 38 -7.369 -16.628 -41.867 1.00 32.44 C ATOM 576 C GLY A 38 -8.818 -16.920 -42.202 1.00 73.32 C ATOM 577 O GLY A 38 -9.134 -17.340 -43.317 1.00 21.11 O ATOM 0 H GLY A 38 -6.815 -15.700 -40.072 1.00 34.21 H new ATOM 0 HA2 GLY A 38 -7.086 -15.668 -42.299 1.00 32.44 H new ATOM 0 HA3 GLY A 38 -6.733 -17.385 -42.327 1.00 32.44 H new ATOM 581 N LEU A 39 -9.703 -16.700 -41.236 1.00 30.05 N ATOM 582 CA LEU A 39 -11.128 -16.944 -41.434 1.00 63.52 C ATOM 583 C LEU A 39 -11.938 -15.680 -41.169 1.00 44.43 C ATOM 584 O LEU A 39 -11.420 -14.698 -40.636 1.00 45.03 O ATOM 585 CB LEU A 39 -11.605 -18.071 -40.515 1.00 73.54 C ATOM 586 CG LEU A 39 -11.209 -19.488 -40.930 1.00 71.34 C ATOM 587 CD1 LEU A 39 -11.200 -20.415 -39.725 1.00 33.32 C ATOM 588 CD2 LEU A 39 -12.153 -20.013 -42.003 1.00 1.14 C ATOM 0 H LEU A 39 -9.459 -16.353 -40.308 1.00 30.05 H new ATOM 0 HA LEU A 39 -11.280 -17.240 -42.472 1.00 63.52 H new ATOM 0 HB2 LEU A 39 -11.217 -17.885 -39.514 1.00 73.54 H new ATOM 0 HB3 LEU A 39 -12.692 -18.024 -40.449 1.00 73.54 H new ATOM 0 HG LEU A 39 -10.201 -19.456 -41.345 1.00 71.34 H new ATOM 0 HD11 LEU A 39 -10.916 -21.419 -40.040 1.00 33.32 H new ATOM 0 HD12 LEU A 39 -10.483 -20.049 -38.990 1.00 33.32 H new ATOM 0 HD13 LEU A 39 -12.194 -20.442 -39.280 1.00 33.32 H new ATOM 0 HD21 LEU A 39 -11.856 -21.023 -42.286 1.00 1.14 H new ATOM 0 HD22 LEU A 39 -13.172 -20.030 -41.615 1.00 1.14 H new ATOM 0 HD23 LEU A 39 -12.108 -19.363 -42.877 1.00 1.14 H new ATOM 600 N ASP A 40 -13.213 -15.711 -41.543 1.00 23.32 N ATOM 601 CA ASP A 40 -14.097 -14.568 -41.342 1.00 31.44 C ATOM 602 C ASP A 40 -14.166 -14.187 -39.867 1.00 11.13 C ATOM 603 O ASP A 40 -13.604 -13.176 -39.448 1.00 74.43 O ATOM 604 CB ASP A 40 -15.498 -14.882 -41.868 1.00 2.00 C ATOM 605 CG ASP A 40 -15.554 -14.916 -43.382 1.00 43.15 C ATOM 606 OD1 ASP A 40 -16.442 -15.604 -43.928 1.00 34.04 O ATOM 607 OD2 ASP A 40 -14.711 -14.254 -44.022 1.00 1.34 O1- ATOM 0 H ASP A 40 -13.657 -16.515 -41.987 1.00 23.32 H new ATOM 0 HA ASP A 40 -13.690 -13.723 -41.897 1.00 31.44 H new ATOM 0 HB2 ASP A 40 -15.824 -15.845 -41.474 1.00 2.00 H new ATOM 0 HB3 ASP A 40 -16.198 -14.133 -41.498 1.00 2.00 H new ATOM 612 N GLY A 41 -14.863 -15.005 -39.082 1.00 53.44 N ATOM 613 CA GLY A 41 -14.995 -14.736 -37.662 1.00 32.20 C ATOM 614 C GLY A 41 -15.742 -13.446 -37.383 1.00 70.31 C ATOM 615 O GLY A 41 -15.201 -12.356 -37.566 1.00 4.21 O ATOM 0 H GLY A 41 -15.338 -15.848 -39.405 1.00 53.44 H new ATOM 0 HA2 GLY A 41 -15.518 -15.565 -37.185 1.00 32.20 H new ATOM 0 HA3 GLY A 41 -14.004 -14.683 -37.212 1.00 32.20 H new ATOM 619 N GLU A 42 -16.989 -13.570 -36.941 1.00 72.22 N ATOM 620 CA GLU A 42 -17.811 -12.404 -36.639 1.00 62.11 C ATOM 621 C GLU A 42 -17.759 -12.072 -35.151 1.00 0.55 C ATOM 622 O GLU A 42 -18.090 -12.904 -34.306 1.00 35.52 O ATOM 623 CB GLU A 42 -19.260 -12.650 -37.067 1.00 52.01 C ATOM 624 CG GLU A 42 -19.406 -13.039 -38.528 1.00 63.13 C ATOM 625 CD GLU A 42 -18.989 -11.928 -39.472 1.00 44.24 C ATOM 626 OE1 GLU A 42 -18.301 -12.226 -40.471 1.00 70.21 O ATOM 627 OE2 GLU A 42 -19.351 -10.762 -39.212 1.00 43.43 O1- ATOM 0 H GLU A 42 -17.452 -14.465 -36.784 1.00 72.22 H new ATOM 0 HA GLU A 42 -17.413 -11.556 -37.197 1.00 62.11 H new ATOM 0 HB2 GLU A 42 -19.684 -13.439 -36.446 1.00 52.01 H new ATOM 0 HB3 GLU A 42 -19.843 -11.748 -36.880 1.00 52.01 H new ATOM 0 HG2 GLU A 42 -18.803 -13.925 -38.726 1.00 63.13 H new ATOM 0 HG3 GLU A 42 -20.443 -13.309 -38.726 1.00 63.13 H new ATOM 634 N TRP A 43 -17.340 -10.851 -34.839 1.00 51.13 N ATOM 635 CA TRP A 43 -17.242 -10.407 -33.452 1.00 55.51 C ATOM 636 C TRP A 43 -18.515 -9.684 -33.021 1.00 4.43 C ATOM 637 O TRP A 43 -19.144 -8.988 -33.818 1.00 30.20 O ATOM 638 CB TRP A 43 -16.033 -9.489 -33.273 1.00 40.54 C ATOM 639 CG TRP A 43 -14.812 -10.205 -32.777 1.00 12.12 C ATOM 640 CD1 TRP A 43 -14.275 -10.135 -31.524 1.00 3.53 C ATOM 641 CD2 TRP A 43 -13.978 -11.095 -33.525 1.00 33.33 C ATOM 642 NE1 TRP A 43 -13.156 -10.929 -31.448 1.00 21.33 N ATOM 643 CE2 TRP A 43 -12.953 -11.529 -32.662 1.00 10.54 C ATOM 644 CE3 TRP A 43 -13.997 -11.569 -34.840 1.00 60.40 C ATOM 645 CZ2 TRP A 43 -11.959 -12.413 -33.074 1.00 72.42 C ATOM 646 CZ3 TRP A 43 -13.010 -12.446 -35.247 1.00 54.24 C ATOM 647 CH2 TRP A 43 -12.003 -12.861 -34.366 1.00 0.13 C ATOM 0 H TRP A 43 -17.063 -10.151 -35.527 1.00 51.13 H new ATOM 0 HA TRP A 43 -17.116 -11.288 -32.822 1.00 55.51 H new ATOM 0 HB2 TRP A 43 -15.804 -9.012 -34.226 1.00 40.54 H new ATOM 0 HB3 TRP A 43 -16.290 -8.695 -32.572 1.00 40.54 H new ATOM 0 HD1 TRP A 43 -14.671 -9.543 -30.712 1.00 3.53 H new ATOM 0 HE1 TRP A 43 -12.571 -11.052 -30.621 1.00 21.33 H new ATOM 0 HE3 TRP A 43 -14.770 -11.255 -35.526 1.00 60.40 H new ATOM 0 HZ2 TRP A 43 -11.181 -12.734 -32.397 1.00 72.42 H new ATOM 0 HZ3 TRP A 43 -13.015 -12.818 -36.261 1.00 54.24 H new ATOM 0 HH2 TRP A 43 -11.246 -13.548 -34.714 1.00 0.13 H new ATOM 658 N THR A 44 -18.887 -9.853 -31.757 1.00 11.45 N ATOM 659 CA THR A 44 -20.083 -9.216 -31.220 1.00 25.43 C ATOM 660 C THR A 44 -19.853 -8.723 -29.797 1.00 41.45 C ATOM 661 O THR A 44 -18.851 -9.063 -29.166 1.00 0.05 O ATOM 662 CB THR A 44 -21.284 -10.182 -31.229 1.00 41.34 C ATOM 663 OG1 THR A 44 -21.095 -11.190 -32.228 1.00 73.22 O ATOM 664 CG2 THR A 44 -22.579 -9.431 -31.497 1.00 21.42 C ATOM 0 H THR A 44 -18.377 -10.426 -31.085 1.00 11.45 H new ATOM 0 HA THR A 44 -20.304 -8.365 -31.864 1.00 25.43 H new ATOM 0 HB THR A 44 -21.351 -10.653 -30.248 1.00 41.34 H new ATOM 0 HG1 THR A 44 -21.862 -11.800 -32.226 1.00 73.22 H new ATOM 0 HG21 THR A 44 -23.413 -10.133 -31.499 1.00 21.42 H new ATOM 0 HG22 THR A 44 -22.735 -8.685 -30.718 1.00 21.42 H new ATOM 0 HG23 THR A 44 -22.519 -8.937 -32.467 1.00 21.42 H new ATOM 672 N TYR A 45 -20.785 -7.919 -29.297 1.00 33.31 N ATOM 673 CA TYR A 45 -20.683 -7.377 -27.947 1.00 15.32 C ATOM 674 C TYR A 45 -21.798 -7.916 -27.057 1.00 4.44 C ATOM 675 O TYR A 45 -22.980 -7.702 -27.326 1.00 1.35 O ATOM 676 CB TYR A 45 -20.736 -5.849 -27.984 1.00 33.44 C ATOM 677 CG TYR A 45 -21.852 -5.303 -28.847 1.00 21.31 C ATOM 678 CD1 TYR A 45 -21.686 -5.153 -30.218 1.00 21.15 C ATOM 679 CD2 TYR A 45 -23.071 -4.938 -28.291 1.00 22.51 C ATOM 680 CE1 TYR A 45 -22.701 -4.654 -31.011 1.00 30.52 C ATOM 681 CE2 TYR A 45 -24.094 -4.439 -29.076 1.00 23.44 C ATOM 682 CZ TYR A 45 -23.903 -4.300 -30.434 1.00 60.14 C ATOM 683 OH TYR A 45 -24.919 -3.802 -31.220 1.00 31.25 O ATOM 0 H TYR A 45 -21.620 -7.628 -29.806 1.00 33.31 H new ATOM 0 HA TYR A 45 -19.727 -7.690 -27.528 1.00 15.32 H new ATOM 0 HB2 TYR A 45 -20.856 -5.473 -26.968 1.00 33.44 H new ATOM 0 HB3 TYR A 45 -19.783 -5.469 -28.353 1.00 33.44 H new ATOM 0 HD1 TYR A 45 -20.746 -5.432 -30.672 1.00 21.15 H new ATOM 0 HD2 TYR A 45 -23.223 -5.046 -27.227 1.00 22.51 H new ATOM 0 HE1 TYR A 45 -22.555 -4.542 -32.075 1.00 30.52 H new ATOM 0 HE2 TYR A 45 -25.036 -4.160 -28.628 1.00 23.44 H new ATOM 0 HH TYR A 45 -25.698 -3.603 -30.660 1.00 31.25 H new ATOM 693 N ASP A 46 -21.413 -8.616 -25.996 1.00 20.13 N ATOM 694 CA ASP A 46 -22.380 -9.185 -25.064 1.00 54.12 C ATOM 695 C ASP A 46 -22.318 -8.473 -23.716 1.00 74.42 C ATOM 696 O ASP A 46 -21.780 -9.005 -22.745 1.00 23.32 O ATOM 697 CB ASP A 46 -22.120 -10.680 -24.877 1.00 21.25 C ATOM 698 CG ASP A 46 -21.784 -11.377 -26.180 1.00 71.31 C ATOM 699 OD1 ASP A 46 -20.628 -11.828 -26.332 1.00 23.42 O ATOM 700 OD2 ASP A 46 -22.676 -11.473 -27.049 1.00 42.04 O1- ATOM 0 H ASP A 46 -20.439 -8.803 -25.760 1.00 20.13 H new ATOM 0 HA ASP A 46 -23.377 -9.047 -25.483 1.00 54.12 H new ATOM 0 HB2 ASP A 46 -21.300 -10.818 -24.173 1.00 21.25 H new ATOM 0 HB3 ASP A 46 -23.001 -11.146 -24.436 1.00 21.25 H new ATOM 705 N ASP A 47 -22.872 -7.267 -23.664 1.00 54.10 N ATOM 706 CA ASP A 47 -22.880 -6.481 -22.435 1.00 22.40 C ATOM 707 C ASP A 47 -23.522 -7.264 -21.294 1.00 60.53 C ATOM 708 O ASP A 47 -23.230 -7.026 -20.123 1.00 15.12 O ATOM 709 CB ASP A 47 -23.629 -5.165 -22.652 1.00 42.04 C ATOM 710 CG ASP A 47 -23.214 -4.094 -21.662 1.00 23.55 C ATOM 711 OD1 ASP A 47 -22.051 -3.643 -21.729 1.00 10.12 O ATOM 712 OD2 ASP A 47 -24.052 -3.705 -20.822 1.00 52.51 O1- ATOM 0 H ASP A 47 -23.322 -6.812 -24.458 1.00 54.10 H new ATOM 0 HA ASP A 47 -21.847 -6.262 -22.165 1.00 22.40 H new ATOM 0 HB2 ASP A 47 -23.446 -4.809 -23.666 1.00 42.04 H new ATOM 0 HB3 ASP A 47 -24.701 -5.341 -22.564 1.00 42.04 H new ATOM 717 N ALA A 48 -24.399 -8.199 -21.645 1.00 73.25 N ATOM 718 CA ALA A 48 -25.082 -9.018 -20.650 1.00 64.12 C ATOM 719 C ALA A 48 -24.086 -9.654 -19.686 1.00 44.51 C ATOM 720 O ALA A 48 -24.401 -9.894 -18.520 1.00 30.41 O ATOM 721 CB ALA A 48 -25.916 -10.091 -21.333 1.00 73.11 C ATOM 0 H ALA A 48 -24.653 -8.408 -22.610 1.00 73.25 H new ATOM 0 HA ALA A 48 -25.743 -8.371 -20.074 1.00 64.12 H new ATOM 0 HB1 ALA A 48 -26.420 -10.695 -20.579 1.00 73.11 H new ATOM 0 HB2 ALA A 48 -26.659 -9.620 -21.977 1.00 73.11 H new ATOM 0 HB3 ALA A 48 -25.267 -10.728 -21.934 1.00 73.11 H new ATOM 727 N THR A 49 -22.882 -9.926 -20.179 1.00 51.14 N ATOM 728 CA THR A 49 -21.841 -10.535 -19.363 1.00 43.22 C ATOM 729 C THR A 49 -20.502 -9.835 -19.565 1.00 20.11 C ATOM 730 O THR A 49 -19.455 -10.345 -19.164 1.00 63.41 O ATOM 731 CB THR A 49 -21.678 -12.033 -19.685 1.00 2.41 C ATOM 732 OG1 THR A 49 -20.674 -12.609 -18.842 1.00 44.13 O ATOM 733 CG2 THR A 49 -21.298 -12.234 -21.144 1.00 1.21 C ATOM 0 H THR A 49 -22.604 -9.733 -21.141 1.00 51.14 H new ATOM 0 HA THR A 49 -22.151 -10.426 -18.324 1.00 43.22 H new ATOM 0 HB THR A 49 -22.632 -12.527 -19.503 1.00 2.41 H new ATOM 0 HG1 THR A 49 -19.961 -11.954 -18.688 1.00 44.13 H new ATOM 0 HG21 THR A 49 -21.188 -13.299 -21.348 1.00 1.21 H new ATOM 0 HG22 THR A 49 -22.078 -11.820 -21.783 1.00 1.21 H new ATOM 0 HG23 THR A 49 -20.355 -11.727 -21.348 1.00 1.21 H new ATOM 741 N LYS A 50 -20.541 -8.663 -20.189 1.00 43.34 N ATOM 742 CA LYS A 50 -19.331 -7.890 -20.444 1.00 34.34 C ATOM 743 C LYS A 50 -18.273 -8.747 -21.131 1.00 15.35 C ATOM 744 O LYS A 50 -17.112 -8.769 -20.719 1.00 61.42 O ATOM 745 CB LYS A 50 -18.775 -7.327 -19.134 1.00 73.32 C ATOM 746 CG LYS A 50 -19.726 -6.378 -18.427 1.00 51.01 C ATOM 747 CD LYS A 50 -20.721 -7.129 -17.557 1.00 73.55 C ATOM 748 CE LYS A 50 -21.405 -6.202 -16.565 1.00 40.03 C ATOM 749 NZ LYS A 50 -22.241 -6.954 -15.588 1.00 63.54 N1+ ATOM 0 H LYS A 50 -21.399 -8.227 -20.528 1.00 43.34 H new ATOM 0 HA LYS A 50 -19.590 -7.064 -21.106 1.00 34.34 H new ATOM 0 HB2 LYS A 50 -18.537 -8.154 -18.465 1.00 73.32 H new ATOM 0 HB3 LYS A 50 -17.841 -6.805 -19.340 1.00 73.32 H new ATOM 0 HG2 LYS A 50 -19.156 -5.682 -17.811 1.00 51.01 H new ATOM 0 HG3 LYS A 50 -20.264 -5.783 -19.166 1.00 51.01 H new ATOM 0 HD2 LYS A 50 -21.471 -7.605 -18.188 1.00 73.55 H new ATOM 0 HD3 LYS A 50 -20.207 -7.925 -17.018 1.00 73.55 H new ATOM 0 HE2 LYS A 50 -20.652 -5.624 -16.029 1.00 40.03 H new ATOM 0 HE3 LYS A 50 -22.029 -5.490 -17.105 1.00 40.03 H new ATOM 0 HZ1 LYS A 50 -22.690 -6.286 -14.929 1.00 63.54 H new ATOM 0 HZ2 LYS A 50 -22.976 -7.486 -16.097 1.00 63.54 H new ATOM 0 HZ3 LYS A 50 -21.641 -7.616 -15.055 1.00 63.54 H new ATOM 763 N THR A 51 -18.679 -9.451 -22.183 1.00 24.34 N ATOM 764 CA THR A 51 -17.767 -10.309 -22.928 1.00 44.02 C ATOM 765 C THR A 51 -18.060 -10.259 -24.423 1.00 73.53 C ATOM 766 O THR A 51 -19.208 -10.082 -24.835 1.00 14.21 O ATOM 767 CB THR A 51 -17.852 -11.771 -22.449 1.00 41.02 C ATOM 768 OG1 THR A 51 -17.657 -11.833 -21.032 1.00 32.22 O ATOM 769 CG2 THR A 51 -16.811 -12.632 -23.148 1.00 71.14 C ATOM 0 H THR A 51 -19.635 -9.443 -22.538 1.00 24.34 H new ATOM 0 HA THR A 51 -16.761 -9.932 -22.745 1.00 44.02 H new ATOM 0 HB THR A 51 -18.842 -12.155 -22.697 1.00 41.02 H new ATOM 0 HG1 THR A 51 -18.390 -11.365 -20.580 1.00 32.22 H new ATOM 0 HG21 THR A 51 -16.891 -13.660 -22.793 1.00 71.14 H new ATOM 0 HG22 THR A 51 -16.980 -12.606 -24.224 1.00 71.14 H new ATOM 0 HG23 THR A 51 -15.815 -12.249 -22.928 1.00 71.14 H new ATOM 777 N PHE A 52 -17.018 -10.415 -25.232 1.00 5.23 N ATOM 778 CA PHE A 52 -17.164 -10.387 -26.683 1.00 4.32 C ATOM 779 C PHE A 52 -17.215 -11.802 -27.252 1.00 0.13 C ATOM 780 O PHE A 52 -16.247 -12.556 -27.158 1.00 73.45 O ATOM 781 CB PHE A 52 -16.010 -9.610 -27.318 1.00 11.55 C ATOM 782 CG PHE A 52 -15.765 -8.271 -26.682 1.00 52.41 C ATOM 783 CD1 PHE A 52 -16.659 -7.229 -26.867 1.00 44.43 C ATOM 784 CD2 PHE A 52 -14.643 -8.056 -25.899 1.00 61.32 C ATOM 785 CE1 PHE A 52 -16.437 -5.996 -26.283 1.00 54.10 C ATOM 786 CE2 PHE A 52 -14.416 -6.826 -25.312 1.00 14.44 C ATOM 787 CZ PHE A 52 -15.313 -5.793 -25.505 1.00 65.43 C ATOM 0 H PHE A 52 -16.062 -10.562 -24.908 1.00 5.23 H new ATOM 0 HA PHE A 52 -18.103 -9.886 -26.919 1.00 4.32 H new ATOM 0 HB2 PHE A 52 -15.100 -10.207 -27.251 1.00 11.55 H new ATOM 0 HB3 PHE A 52 -16.219 -9.467 -28.378 1.00 11.55 H new ATOM 0 HD1 PHE A 52 -17.539 -7.382 -27.474 1.00 44.43 H new ATOM 0 HD2 PHE A 52 -13.937 -8.859 -25.745 1.00 61.32 H new ATOM 0 HE1 PHE A 52 -17.142 -5.192 -26.435 1.00 54.10 H new ATOM 0 HE2 PHE A 52 -13.538 -6.672 -24.703 1.00 14.44 H new ATOM 0 HZ PHE A 52 -15.136 -4.830 -25.049 1.00 65.43 H new ATOM 797 N THR A 53 -18.353 -12.154 -27.842 1.00 65.24 N ATOM 798 CA THR A 53 -18.532 -13.479 -28.426 1.00 62.11 C ATOM 799 C THR A 53 -18.208 -13.472 -29.916 1.00 71.13 C ATOM 800 O THR A 53 -18.682 -12.613 -30.660 1.00 25.23 O ATOM 801 CB THR A 53 -19.971 -13.989 -28.227 1.00 22.10 C ATOM 802 OG1 THR A 53 -20.089 -15.327 -28.725 1.00 4.10 O ATOM 803 CG2 THR A 53 -20.968 -13.088 -28.940 1.00 73.15 C ATOM 0 H THR A 53 -19.164 -11.541 -27.928 1.00 65.24 H new ATOM 0 HA THR A 53 -17.842 -14.148 -27.911 1.00 62.11 H new ATOM 0 HB THR A 53 -20.193 -13.977 -27.160 1.00 22.10 H new ATOM 0 HG1 THR A 53 -21.006 -15.645 -28.593 1.00 4.10 H new ATOM 0 HG21 THR A 53 -21.978 -13.468 -28.785 1.00 73.15 H new ATOM 0 HG22 THR A 53 -20.896 -12.077 -28.540 1.00 73.15 H new ATOM 0 HG23 THR A 53 -20.746 -13.072 -30.007 1.00 73.15 H new ATOM 811 N VAL A 54 -17.398 -14.434 -30.345 1.00 32.13 N ATOM 812 CA VAL A 54 -17.012 -14.539 -31.747 1.00 13.12 C ATOM 813 C VAL A 54 -17.704 -15.720 -32.420 1.00 43.23 C ATOM 814 O VAL A 54 -17.374 -16.878 -32.161 1.00 33.41 O ATOM 815 CB VAL A 54 -15.487 -14.697 -31.899 1.00 22.02 C ATOM 816 CG1 VAL A 54 -15.086 -14.614 -33.363 1.00 5.33 C ATOM 817 CG2 VAL A 54 -14.759 -13.645 -31.078 1.00 23.13 C ATOM 0 H VAL A 54 -16.996 -15.152 -29.742 1.00 32.13 H new ATOM 0 HA VAL A 54 -17.324 -13.614 -32.232 1.00 13.12 H new ATOM 0 HB VAL A 54 -15.201 -15.680 -31.524 1.00 22.02 H new ATOM 0 HG11 VAL A 54 -14.006 -14.728 -33.451 1.00 5.33 H new ATOM 0 HG12 VAL A 54 -15.581 -15.408 -33.921 1.00 5.33 H new ATOM 0 HG13 VAL A 54 -15.383 -13.646 -33.767 1.00 5.33 H new ATOM 0 HG21 VAL A 54 -13.683 -13.771 -31.197 1.00 23.13 H new ATOM 0 HG22 VAL A 54 -15.048 -12.652 -31.421 1.00 23.13 H new ATOM 0 HG23 VAL A 54 -15.023 -13.757 -30.026 1.00 23.13 H new ATOM 827 N THR A 55 -18.666 -15.420 -33.286 1.00 72.51 N ATOM 828 CA THR A 55 -19.406 -16.455 -33.996 1.00 13.41 C ATOM 829 C THR A 55 -18.974 -16.535 -35.456 1.00 72.34 C ATOM 830 O THR A 55 -19.386 -15.719 -36.279 1.00 31.15 O ATOM 831 CB THR A 55 -20.924 -16.204 -33.935 1.00 42.42 C ATOM 832 OG1 THR A 55 -21.332 -16.006 -32.577 1.00 62.32 O ATOM 833 CG2 THR A 55 -21.690 -17.374 -34.534 1.00 41.24 C ATOM 0 H THR A 55 -18.951 -14.467 -33.513 1.00 72.51 H new ATOM 0 HA THR A 55 -19.182 -17.400 -33.500 1.00 13.41 H new ATOM 0 HB THR A 55 -21.147 -15.309 -34.516 1.00 42.42 H new ATOM 0 HG1 THR A 55 -22.298 -15.845 -32.546 1.00 62.32 H new ATOM 0 HG21 THR A 55 -22.760 -17.174 -34.480 1.00 41.24 H new ATOM 0 HG22 THR A 55 -21.398 -17.505 -35.576 1.00 41.24 H new ATOM 0 HG23 THR A 55 -21.462 -18.282 -33.976 1.00 41.24 H new ATOM 841 N GLU A 56 -18.144 -17.525 -35.770 1.00 35.15 N ATOM 842 CA GLU A 56 -17.657 -17.710 -37.133 1.00 50.02 C ATOM 843 C GLU A 56 -18.790 -18.140 -38.061 1.00 33.31 C ATOM 844 O GLU A 56 -19.406 -19.187 -37.861 1.00 34.50 O ATOM 845 CB GLU A 56 -16.538 -18.752 -37.161 1.00 71.10 C ATOM 846 CG GLU A 56 -15.954 -18.981 -38.544 1.00 33.33 C ATOM 847 CD GLU A 56 -15.179 -20.281 -38.643 1.00 43.00 C ATOM 848 OE1 GLU A 56 -14.578 -20.691 -37.629 1.00 54.40 O ATOM 849 OE2 GLU A 56 -15.175 -20.887 -39.735 1.00 45.43 O1- ATOM 0 H GLU A 56 -17.795 -18.211 -35.100 1.00 35.15 H new ATOM 0 HA GLU A 56 -17.264 -16.756 -37.484 1.00 50.02 H new ATOM 0 HB2 GLU A 56 -15.742 -18.436 -36.487 1.00 71.10 H new ATOM 0 HB3 GLU A 56 -16.923 -19.697 -36.778 1.00 71.10 H new ATOM 0 HG2 GLU A 56 -16.760 -18.986 -39.278 1.00 33.33 H new ATOM 0 HG3 GLU A 56 -15.296 -18.150 -38.799 1.00 33.33 H new