Browse entries in the PDBbind-CN Database
HEADER 5YTO_COMPLEX COMPND 5YTO_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 155 ALA MET ALA THR LYS ALA VAL CYS VAL LEU LYS GLY ASP SEQRES 2 A 155 GLY PRO VAL GLN GLY ILE ILE ASN PHE GLU GLN LYS GLU SEQRES 3 A 155 SER ASN GLY PRO VAL LYS VAL TRP GLY SER ILE LYS GLY SEQRES 4 A 155 LEU THR GLU GLY LEU HIS GLY PHE HIS VAL HIS GLU PHE SEQRES 5 A 155 GLY ASP ASN THR ALA GLY CYS THR SER ALA GLY PRO HIS SEQRES 6 A 155 PHE ASN PRO LEU SER ARG LYS HIS GLY GLY PRO LYS ASP SEQRES 7 A 155 GLU GLU ARG HIS VAL GLY ASP LEU GLY ASN VAL THR ALA SEQRES 8 A 155 ASP LYS ASP GLY VAL ALA ASP VAL SER ILE GLU ASP SER SEQRES 9 A 155 VAL ILE SER LEU SER GLY ASP HIS CYS ILE ILE GLY ARG SEQRES 10 A 155 THR LEU VAL VAL HIS GLU LYS ALA ASP ASP LEU GLY LYS SEQRES 11 A 155 GLY GLY ASN GLU GLU SER THR LYS THR GLY ASN ALA GLY SEQRES 12 A 155 SER ARG LEU ALA CYS GLY VAL ILE GLY ILE ALA GLN SEQRES 1 B 154 MET ALA THR LYS ALA VAL CYS VAL LEU LYS GLY ASP GLY SEQRES 2 B 154 PRO VAL GLN GLY ILE ILE ASN PHE GLU GLN LYS GLU SER SEQRES 3 B 154 ASN GLY PRO VAL LYS VAL TRP GLY SER ILE LYS GLY LEU SEQRES 4 B 154 THR GLU GLY LEU HIS GLY PHE HIS VAL HIS GLU PHE GLY SEQRES 5 B 154 ASP ASN THR ALA GLY CYS THR SER ALA GLY PRO HIS PHE SEQRES 6 B 154 ASN PRO LEU SER ARG LYS HIS GLY GLY PRO LYS ASP GLU SEQRES 7 B 154 GLU ARG HIS VAL GLY ASP LEU GLY ASN VAL THR ALA ASP SEQRES 8 B 154 LYS ASP GLY VAL ALA ASP VAL SER ILE GLU ASP SER VAL SEQRES 9 B 154 ILE SER LEU SER GLY ASP HIS CYS ILE ILE GLY ARG THR SEQRES 10 B 154 LEU VAL VAL HIS GLU LYS ALA ASP ASP LEU GLY LYS GLY SEQRES 11 B 154 GLY ASN GLU GLU SER THR LYS THR GLY ASN ALA GLY SER SEQRES 12 B 154 ARG LEU ALA CYS GLY VAL ILE GLY ILE ALA GLN HET ZN A 1 1 HET ZN A 2 1 HET UNN A 702 43 ATOM 1 N ALA A -1 63.654 50.973 -1.407 1.00 61.53 N ATOM 2 CA ALA A -1 63.450 49.501 -1.441 1.00 59.10 C ATOM 3 C ALA A -1 62.339 49.082 -2.417 1.00 59.17 C ATOM 4 O ALA A -1 61.991 47.900 -2.463 1.00 61.04 O ATOM 5 CB ALA A -1 63.158 48.999 -0.050 1.00 51.23 C ATOM 6 HN3 ALA A -1 62.773 51.437 -1.108 1.00 0.00 H ATOM 7 HN2 ALA A -1 63.918 51.307 -2.356 1.00 0.00 H ATOM 8 HN1 ALA A -1 64.413 51.201 -0.734 1.00 0.00 H ATOM 9 N MET A 0 61.866 50.046 -3.231 1.00 58.36 N ATOM 10 CA MET A 0 60.596 50.007 -3.998 1.00 58.58 C ATOM 11 C MET A 0 60.649 49.524 -5.483 1.00 50.40 C ATOM 12 O MET A 0 59.706 48.854 -5.955 1.00 50.38 O ATOM 13 CB MET A 0 59.878 51.377 -3.895 1.00 57.94 C ATOM 14 CG MET A 0 58.479 51.435 -4.505 1.00 64.75 C ATOM 15 SD MET A 0 57.204 50.440 -3.661 1.00 83.61 S ATOM 16 CE MET A 0 56.846 51.479 -2.224 1.00 69.54 C ATOM 17 H MET A 0 62.448 50.902 -3.332 1.00 0.00 H ATOM 18 N ALA A 1 61.697 49.876 -6.234 1.00 43.66 N ATOM 19 CA ALA A 1 61.794 49.345 -7.607 1.00 37.78 C ATOM 20 C ALA A 1 62.085 47.843 -7.563 1.00 29.74 C ATOM 21 O ALA A 1 63.018 47.388 -6.881 1.00 32.49 O ATOM 22 CB ALA A 1 62.839 50.089 -8.426 1.00 36.51 C ATOM 23 H ALA A 1 62.429 50.511 -5.858 1.00 0.00 H ATOM 24 N THR A 2 61.258 47.060 -8.235 1.00 26.85 N ATOM 25 CA THR A 2 61.570 45.633 -8.401 1.00 23.87 C ATOM 26 C THR A 2 61.955 45.299 -9.842 1.00 22.87 C ATOM 27 O THR A 2 62.422 44.180 -10.099 1.00 20.11 O ATOM 28 CB THR A 2 60.370 44.715 -8.049 1.00 27.09 C ATOM 29 OG1 THR A 2 59.265 45.055 -8.894 1.00 28.78 O ATOM 30 CG2 THR A 2 59.999 44.857 -6.572 1.00 31.05 C ATOM 31 HG1 THR A 2 59.018 46.002 -8.747 1.00 0.00 H ATOM 32 H THR A 2 60.387 47.453 -8.646 1.00 0.00 H ATOM 33 N LYS A 3 61.689 46.217 -10.791 1.00 18.57 N ATOM 34 CA LYS A 3 62.049 45.923 -12.208 1.00 19.06 C ATOM 35 C LYS A 3 62.708 47.157 -12.818 1.00 18.54 C ATOM 36 O LYS A 3 62.317 48.298 -12.502 1.00 18.01 O ATOM 37 CB LYS A 3 60.842 45.562 -13.073 1.00 21.61 C ATOM 38 CG LYS A 3 59.923 44.462 -12.581 1.00 30.77 C ATOM 39 CD LYS A 3 59.052 43.955 -13.743 1.00 36.67 C ATOM 40 CE LYS A 3 58.028 42.914 -13.285 1.00 44.93 C ATOM 41 NZ LYS A 3 58.676 41.604 -12.960 1.00 50.11 N ATOM 42 HZ1 LYS A 3 59.159 41.238 -13.805 1.00 0.00 H ATOM 43 HZ2 LYS A 3 59.368 41.741 -12.196 1.00 0.00 H ATOM 44 HZ3 LYS A 3 57.949 40.926 -12.654 1.00 0.00 H ATOM 45 H LYS A 3 61.238 47.120 -10.539 1.00 0.00 H ATOM 46 N ALA A 4 63.660 46.934 -13.713 1.00 16.07 N ATOM 47 CA ALA A 4 64.313 47.987 -14.450 1.00 16.57 C ATOM 48 C ALA A 4 64.594 47.469 -15.874 1.00 17.08 C ATOM 49 O ALA A 4 64.457 46.248 -16.164 1.00 16.93 O ATOM 50 CB ALA A 4 65.613 48.400 -13.751 1.00 16.92 C ATOM 51 H ALA A 4 63.950 45.951 -13.892 1.00 0.00 H ATOM 52 N VAL A 5 64.951 48.392 -16.772 1.00 16.78 N ATOM 53 CA VAL A 5 65.162 48.056 -18.192 1.00 16.81 C ATOM 54 C VAL A 5 66.204 48.989 -18.786 1.00 16.61 C ATOM 55 O VAL A 5 66.357 50.145 -18.336 1.00 17.76 O ATOM 56 CB VAL A 5 63.848 48.021 -19.000 1.00 17.02 C ATOM 57 CG1 VAL A 5 63.320 49.460 -19.206 1.00 16.83 C ATOM 58 CG2 VAL A 5 64.066 47.372 -20.373 1.00 18.46 C ATOM 59 H VAL A 5 65.084 49.375 -16.460 1.00 0.00 H ATOM 60 N CYS A 6 66.948 48.525 -19.793 1.00 15.72 N ATOM 61 CA CYS A 6 67.919 49.399 -20.370 1.00 15.83 C ATOM 62 C CYS A 6 67.948 49.120 -21.884 1.00 17.52 C ATOM 63 O CYS A 6 67.987 47.933 -22.283 1.00 15.70 O ATOM 64 CB CYS A 6 69.296 49.072 -19.727 1.00 18.35 C ATOM 65 SG CYS A 6 70.607 50.002 -20.531 1.00 20.40 S ATOM 66 H CYS A 6 66.824 47.555 -20.147 1.00 0.00 H ATOM 67 N VAL A 7 67.843 50.169 -22.705 1.00 15.33 N ATOM 68 CA VAL A 7 67.912 50.033 -24.171 1.00 17.93 C ATOM 69 C VAL A 7 69.330 50.438 -24.527 1.00 18.82 C ATOM 70 O VAL A 7 69.756 51.596 -24.278 1.00 16.53 O ATOM 71 CB VAL A 7 66.867 50.934 -24.901 1.00 18.56 C ATOM 72 CG1 VAL A 7 67.036 50.864 -26.446 1.00 23.24 C ATOM 73 CG2 VAL A 7 65.440 50.565 -24.452 1.00 20.05 C ATOM 74 H VAL A 7 67.708 51.115 -22.295 1.00 0.00 H ATOM 75 N LEU A 8 70.094 49.485 -25.064 1.00 17.33 N ATOM 76 CA LEU A 8 71.486 49.766 -25.452 1.00 17.53 C ATOM 77 C LEU A 8 71.548 50.214 -26.903 1.00 19.08 C ATOM 78 O LEU A 8 70.972 49.556 -27.789 1.00 19.79 O ATOM 79 CB LEU A 8 72.343 48.487 -25.293 1.00 18.97 C ATOM 80 CG LEU A 8 72.439 47.905 -23.863 1.00 21.88 C ATOM 81 CD1 LEU A 8 73.207 46.566 -23.900 1.00 28.95 C ATOM 82 CD2 LEU A 8 73.306 48.830 -23.082 1.00 23.15 C ATOM 83 H LEU A 8 69.702 48.533 -25.210 1.00 0.00 H ATOM 84 N LYS A 9 72.273 51.302 -27.161 1.00 18.70 N ATOM 85 CA LYS A 9 72.502 51.766 -28.543 1.00 21.59 C ATOM 86 C LYS A 9 73.885 52.357 -28.632 1.00 20.71 C ATOM 87 O LYS A 9 74.449 52.799 -27.623 1.00 18.85 O ATOM 88 CB LYS A 9 71.554 52.938 -28.896 1.00 26.11 C ATOM 89 CG LYS A 9 70.104 52.590 -29.059 1.00 39.80 C ATOM 90 CD LYS A 9 69.348 53.870 -29.452 1.00 48.98 C ATOM 91 CE LYS A 9 68.135 53.554 -30.338 1.00 55.81 C ATOM 92 NZ LYS A 9 67.108 52.735 -29.618 1.00 48.50 N ATOM 93 HZ1 LYS A 9 67.533 51.835 -29.317 1.00 0.00 H ATOM 94 HZ2 LYS A 9 66.773 53.257 -28.784 1.00 0.00 H ATOM 95 HZ3 LYS A 9 66.308 52.546 -30.255 1.00 0.00 H ATOM 96 H LYS A 9 72.687 51.836 -26.370 1.00 0.00 H ATOM 97 N GLY A 10 74.434 52.472 -29.855 1.00 19.79 N ATOM 98 CA GLY A 10 75.770 53.043 -29.981 1.00 22.42 C ATOM 99 C GLY A 10 75.979 53.584 -31.397 1.00 24.52 C ATOM 100 O GLY A 10 75.039 53.757 -32.113 1.00 25.23 O ATOM 101 H GLY A 10 73.913 52.158 -30.699 1.00 0.00 H ATOM 102 N ASP A 11 77.219 53.836 -31.775 1.00 29.05 N ATOM 103 CA ASP A 11 77.533 54.389 -33.103 1.00 34.18 C ATOM 104 C ASP A 11 77.552 53.318 -34.195 1.00 36.72 C ATOM 105 O ASP A 11 77.306 53.638 -35.360 1.00 37.05 O ATOM 106 CB ASP A 11 78.878 55.115 -33.055 1.00 34.64 C ATOM 107 CG ASP A 11 78.779 56.432 -32.317 1.00 44.53 C ATOM 108 OD1 ASP A 11 77.660 57.019 -32.316 1.00 39.62 O ATOM 109 OD2 ASP A 11 79.808 56.867 -31.729 1.00 47.13 O ATOM 110 H ASP A 11 77.998 53.638 -31.115 1.00 0.00 H ATOM 111 N GLY A 12 77.791 52.060 -33.807 1.00 34.20 N ATOM 112 CA GLY A 12 77.803 50.908 -34.747 1.00 28.57 C ATOM 113 C GLY A 12 76.500 50.159 -34.728 1.00 25.92 C ATOM 114 O GLY A 12 75.453 50.732 -34.424 1.00 28.02 O ATOM 115 H GLY A 12 77.977 51.879 -32.800 1.00 0.00 H ATOM 116 N PRO A 13 76.526 48.848 -35.063 1.00 24.73 N ATOM 117 CA PRO A 13 75.311 48.030 -35.189 1.00 22.15 C ATOM 118 C PRO A 13 74.861 47.427 -33.849 1.00 21.44 C ATOM 119 O PRO A 13 73.879 46.742 -33.813 1.00 22.99 O ATOM 120 CB PRO A 13 75.776 46.869 -36.128 1.00 25.25 C ATOM 121 CG PRO A 13 77.234 46.746 -35.814 1.00 25.95 C ATOM 122 CD PRO A 13 77.741 48.131 -35.499 1.00 27.07 C ATOM 123 N VAL A 14 75.585 47.660 -32.765 1.00 21.00 N ATOM 124 CA VAL A 14 75.277 46.918 -31.535 1.00 22.04 C ATOM 125 C VAL A 14 74.030 47.535 -30.864 1.00 23.59 C ATOM 126 O VAL A 14 73.971 48.758 -30.652 1.00 23.32 O ATOM 127 CB VAL A 14 76.421 46.906 -30.525 1.00 21.27 C ATOM 128 CG1 VAL A 14 75.968 46.144 -29.267 1.00 20.40 C ATOM 129 CG2 VAL A 14 77.640 46.214 -31.152 1.00 24.30 C ATOM 130 H VAL A 14 76.358 48.356 -32.784 1.00 0.00 H ATOM 131 N GLN A 15 73.051 46.705 -30.593 1.00 22.90 N ATOM 132 CA GLN A 15 71.864 47.184 -29.892 1.00 24.16 C ATOM 133 C GLN A 15 71.201 46.088 -29.124 1.00 23.54 C ATOM 134 O GLN A 15 71.296 44.882 -29.483 1.00 23.06 O ATOM 135 CB GLN A 15 70.895 47.834 -30.862 1.00 29.40 C ATOM 136 CG GLN A 15 70.543 47.012 -32.048 1.00 35.33 C ATOM 137 CD GLN A 15 69.752 47.821 -33.062 1.00 43.34 C ATOM 138 OE1 GLN A 15 68.638 48.183 -32.804 1.00 45.44 O ATOM 139 NE2 GLN A 15 70.327 48.081 -34.208 1.00 41.59 N ATOM 140 HE22 GLN A 15 71.295 47.748 -34.391 1.00 0.00 H ATOM 141 HE21 GLN A 15 69.816 48.620 -34.936 1.00 0.00 H ATOM 142 H GLN A 15 73.121 45.707 -30.877 1.00 0.00 H ATOM 143 N GLY A 16 70.537 46.451 -28.041 1.00 21.80 N ATOM 144 CA GLY A 16 69.867 45.409 -27.284 1.00 21.49 C ATOM 145 C GLY A 16 68.935 45.956 -26.246 1.00 21.82 C ATOM 146 O GLY A 16 68.870 47.163 -26.079 1.00 19.36 O ATOM 147 H GLY A 16 70.496 47.446 -27.742 1.00 0.00 H ATOM 148 N ILE A 17 68.196 45.060 -25.628 1.00 19.40 N ATOM 149 CA ILE A 17 67.328 45.399 -24.515 1.00 18.59 C ATOM 150 C ILE A 17 67.744 44.485 -23.381 1.00 18.01 C ATOM 151 O ILE A 17 67.744 43.244 -23.544 1.00 19.91 O ATOM 152 CB ILE A 17 65.834 45.203 -24.874 1.00 18.03 C ATOM 153 CG1 ILE A 17 65.424 46.178 -26.014 1.00 21.51 C ATOM 154 CG2 ILE A 17 64.968 45.363 -23.617 1.00 21.01 C ATOM 155 CD1 ILE A 17 64.042 45.922 -26.639 1.00 25.08 C ATOM 156 H ILE A 17 68.235 44.072 -25.949 1.00 0.00 H ATOM 157 N ILE A 18 68.072 45.059 -22.220 1.00 16.25 N ATOM 158 CA ILE A 18 68.399 44.267 -21.027 1.00 15.71 C ATOM 159 C ILE A 18 67.363 44.569 -19.911 1.00 18.57 C ATOM 160 O ILE A 18 67.121 45.735 -19.598 1.00 16.20 O ATOM 161 CB ILE A 18 69.838 44.567 -20.532 1.00 16.56 C ATOM 162 CG1 ILE A 18 70.892 44.135 -21.613 1.00 15.41 C ATOM 163 CG2 ILE A 18 70.115 43.928 -19.173 1.00 14.50 C ATOM 164 CD1 ILE A 18 70.900 42.604 -21.890 1.00 16.71 C ATOM 165 H ILE A 18 68.096 46.097 -22.159 1.00 0.00 H ATOM 166 N ASN A 19 66.819 43.506 -19.316 1.00 16.74 N ATOM 167 CA ASN A 19 65.872 43.579 -18.192 1.00 19.45 C ATOM 168 C ASN A 19 66.527 43.257 -16.887 1.00 19.97 C ATOM 169 O ASN A 19 67.540 42.468 -16.845 1.00 17.55 O ATOM 170 CB ASN A 19 64.773 42.546 -18.439 1.00 20.77 C ATOM 171 CG ASN A 19 64.156 42.704 -19.795 1.00 24.54 C ATOM 172 OD1 ASN A 19 64.433 41.931 -20.739 1.00 29.56 O ATOM 173 ND2 ASN A 19 63.376 43.728 -19.935 1.00 20.49 N ATOM 174 HD22 ASN A 19 63.174 44.343 -19.121 1.00 0.00 H ATOM 175 HD21 ASN A 19 62.951 43.935 -20.861 1.00 0.00 H ATOM 176 H ASN A 19 67.081 42.564 -19.670 1.00 0.00 H ATOM 177 N PHE A 20 66.005 43.855 -15.790 1.00 18.67 N ATOM 178 CA PHE A 20 66.571 43.602 -14.482 1.00 17.89 C ATOM 179 C PHE A 20 65.378 43.307 -13.605 1.00 19.74 C ATOM 180 O PHE A 20 64.325 43.968 -13.744 1.00 18.23 O ATOM 181 CB PHE A 20 67.258 44.822 -13.878 1.00 17.70 C ATOM 182 CG PHE A 20 68.436 45.312 -14.654 1.00 19.64 C ATOM 183 CD1 PHE A 20 68.246 46.123 -15.787 1.00 20.20 C ATOM 184 CD2 PHE A 20 69.711 44.958 -14.278 1.00 18.58 C ATOM 185 CE1 PHE A 20 69.343 46.594 -16.524 1.00 21.91 C ATOM 186 CE2 PHE A 20 70.820 45.426 -15.010 1.00 20.33 C ATOM 187 CZ PHE A 20 70.622 46.278 -16.114 1.00 19.13 C ATOM 188 H PHE A 20 65.194 44.499 -15.888 1.00 0.00 H ATOM 189 N GLU A 21 65.509 42.308 -12.735 1.00 19.20 N ATOM 190 CA GLU A 21 64.379 42.029 -11.811 1.00 21.77 C ATOM 191 C GLU A 21 64.928 41.695 -10.447 1.00 22.86 C ATOM 192 O GLU A 21 65.872 40.875 -10.319 1.00 22.36 O ATOM 193 CB GLU A 21 63.430 40.927 -12.345 1.00 24.20 C ATOM 194 CG GLU A 21 62.348 40.569 -11.315 1.00 30.85 C ATOM 195 CD GLU A 21 61.199 39.739 -11.872 1.00 44.10 C ATOM 196 OE1 GLU A 21 61.470 38.742 -12.570 1.00 47.62 O ATOM 197 OE2 GLU A 21 60.014 40.080 -11.607 1.00 49.57 O ATOM 198 H GLU A 21 66.378 41.738 -12.703 1.00 0.00 H ATOM 199 N GLN A 22 64.369 42.333 -9.408 1.00 19.69 N ATOM 200 CA GLN A 22 64.838 42.063 -8.052 1.00 19.53 C ATOM 201 C GLN A 22 63.601 41.930 -7.175 1.00 24.56 C ATOM 202 O GLN A 22 63.036 42.963 -6.744 1.00 25.88 O ATOM 203 CB GLN A 22 65.769 43.157 -7.548 1.00 17.92 C ATOM 204 CG GLN A 22 66.347 42.867 -6.184 1.00 17.75 C ATOM 205 CD GLN A 22 67.190 44.003 -5.708 1.00 19.59 C ATOM 206 OE1 GLN A 22 66.950 45.152 -6.105 1.00 19.81 O ATOM 207 NE2 GLN A 22 68.186 43.720 -4.880 1.00 20.02 N ATOM 208 HE22 GLN A 22 68.346 42.739 -4.576 1.00 0.00 H ATOM 209 HE21 GLN A 22 68.807 44.479 -4.535 1.00 0.00 H ATOM 210 H GLN A 22 63.603 43.018 -9.568 1.00 0.00 H ATOM 211 N LYS A 23 63.134 40.695 -6.997 1.00 26.29 N ATOM 212 CA LYS A 23 61.904 40.448 -6.234 1.00 31.72 C ATOM 213 C LYS A 23 62.000 40.817 -4.747 1.00 31.35 C ATOM 214 O LYS A 23 61.023 41.303 -4.184 1.00 33.86 O ATOM 215 CB LYS A 23 61.413 39.017 -6.461 1.00 40.65 C ATOM 216 CG LYS A 23 60.851 38.884 -7.867 1.00 48.30 C ATOM 217 CD LYS A 23 59.756 37.837 -7.980 1.00 59.80 C ATOM 218 CE LYS A 23 59.381 37.648 -9.443 1.00 62.64 C ATOM 219 NZ LYS A 23 58.587 36.408 -9.690 1.00 66.54 N ATOM 220 HZ1 LYS A 23 59.142 35.578 -9.397 1.00 0.00 H ATOM 221 HZ2 LYS A 23 57.705 36.448 -9.141 1.00 0.00 H ATOM 222 HZ3 LYS A 23 58.364 36.337 -10.703 1.00 0.00 H ATOM 223 H LYS A 23 63.651 39.890 -7.406 1.00 0.00 H ATOM 224 N GLU A 24 63.188 40.705 -4.146 1.00 30.11 N ATOM 225 CA GLU A 24 63.382 41.085 -2.751 1.00 29.13 C ATOM 226 C GLU A 24 64.476 42.099 -2.668 1.00 29.37 C ATOM 227 O GLU A 24 65.544 41.878 -3.236 1.00 23.90 O ATOM 228 CB GLU A 24 63.769 39.855 -1.896 1.00 33.05 C ATOM 229 CG GLU A 24 62.763 38.725 -1.944 1.00 38.16 C ATOM 230 CD GLU A 24 61.557 38.991 -1.051 1.00 56.55 C ATOM 231 OE1 GLU A 24 61.569 40.005 -0.281 1.00 58.10 O ATOM 232 OE2 GLU A 24 60.588 38.186 -1.116 1.00 59.86 O ATOM 233 H GLU A 24 63.996 40.337 -4.687 1.00 0.00 H ATOM 234 N SER A 25 64.248 43.203 -1.938 1.00 24.62 N ATOM 235 CA SER A 25 65.258 44.240 -1.830 1.00 25.17 C ATOM 236 C SER A 25 66.595 43.764 -1.291 1.00 23.08 C ATOM 237 O SER A 25 67.632 44.372 -1.566 1.00 22.55 O ATOM 238 CB SER A 25 64.753 45.415 -0.974 1.00 31.31 C ATOM 239 OG SER A 25 64.426 44.962 0.327 1.00 31.14 O ATOM 240 HG SER A 25 64.103 45.725 0.869 1.00 0.00 H ATOM 241 H SER A 25 63.339 43.316 -1.445 1.00 0.00 H ATOM 242 N ASN A 26 66.596 42.699 -0.495 1.00 25.56 N ATOM 243 CA ASN A 26 67.875 42.149 -0.010 1.00 27.84 C ATOM 244 C ASN A 26 68.277 40.837 -0.669 1.00 29.05 C ATOM 245 O ASN A 26 69.069 40.071 -0.086 1.00 30.63 O ATOM 246 CB ASN A 26 67.881 41.971 1.526 1.00 29.05 C ATOM 247 CG ASN A 26 66.881 40.972 2.004 1.00 28.53 C ATOM 248 OD1 ASN A 26 65.829 40.789 1.402 1.00 31.01 O ATOM 249 ND2 ASN A 26 67.196 40.323 3.169 1.00 28.94 N ATOM 250 HD22 ASN A 26 68.103 40.514 3.642 1.00 0.00 H ATOM 251 HD21 ASN A 26 66.529 39.640 3.581 1.00 0.00 H ATOM 252 H ASN A 26 65.698 42.256 -0.216 1.00 0.00 H ATOM 253 N GLY A 27 67.694 40.583 -1.840 1.00 26.29 N ATOM 254 CA GLY A 27 68.032 39.436 -2.667 1.00 25.54 C ATOM 255 C GLY A 27 68.752 39.829 -3.963 1.00 25.05 C ATOM 256 O GLY A 27 69.011 41.018 -4.245 1.00 21.05 O ATOM 257 H GLY A 27 66.961 41.238 -2.179 1.00 0.00 H ATOM 258 N PRO A 28 69.081 38.811 -4.773 1.00 24.98 N ATOM 259 CA PRO A 28 69.844 39.055 -5.979 1.00 23.87 C ATOM 260 C PRO A 28 69.033 39.744 -7.093 1.00 21.55 C ATOM 261 O PRO A 28 67.791 39.664 -7.116 1.00 18.71 O ATOM 262 CB PRO A 28 70.282 37.639 -6.430 1.00 26.70 C ATOM 263 CG PRO A 28 69.431 36.649 -5.672 1.00 28.72 C ATOM 264 CD PRO A 28 68.834 37.369 -4.483 1.00 27.07 C ATOM 265 N VAL A 29 69.753 40.307 -8.075 1.00 20.71 N ATOM 266 CA VAL A 29 69.120 40.875 -9.278 1.00 19.08 C ATOM 267 C VAL A 29 69.355 39.931 -10.452 1.00 20.04 C ATOM 268 O VAL A 29 70.520 39.570 -10.723 1.00 19.28 O ATOM 269 CB VAL A 29 69.773 42.221 -9.628 1.00 16.97 C ATOM 270 CG1 VAL A 29 69.151 42.815 -10.907 1.00 16.15 C ATOM 271 CG2 VAL A 29 69.640 43.179 -8.437 1.00 18.58 C ATOM 272 H VAL A 29 70.788 40.344 -7.984 1.00 0.00 H ATOM 273 N LYS A 30 68.271 39.490 -11.083 1.00 19.34 N ATOM 274 CA LYS A 30 68.351 38.793 -12.359 1.00 20.32 C ATOM 275 C LYS A 30 68.475 39.780 -13.497 1.00 20.19 C ATOM 276 O LYS A 30 67.721 40.768 -13.566 1.00 18.90 O ATOM 277 CB LYS A 30 67.124 37.929 -12.572 1.00 24.40 C ATOM 278 CG LYS A 30 66.927 36.987 -11.407 1.00 29.78 C ATOM 279 CD LYS A 30 65.800 35.990 -11.673 1.00 37.96 C ATOM 280 CE LYS A 30 65.812 34.926 -10.570 1.00 41.49 C ATOM 281 NZ LYS A 30 65.058 33.739 -11.048 1.00 48.02 N ATOM 282 HZ1 LYS A 30 64.079 34.015 -11.263 1.00 0.00 H ATOM 283 HZ2 LYS A 30 65.511 33.365 -11.906 1.00 0.00 H ATOM 284 HZ3 LYS A 30 65.058 33.008 -10.308 1.00 0.00 H ATOM 285 H LYS A 30 67.338 39.648 -10.652 1.00 0.00 H ATOM 286 N VAL A 31 69.402 39.513 -14.434 1.00 16.54 N ATOM 287 CA VAL A 31 69.649 40.439 -15.532 1.00 17.50 C ATOM 288 C VAL A 31 69.529 39.606 -16.808 1.00 20.84 C ATOM 289 O VAL A 31 70.233 38.550 -16.908 1.00 22.79 O ATOM 290 CB VAL A 31 71.073 41.016 -15.440 1.00 17.19 C ATOM 291 CG1 VAL A 31 71.358 41.970 -16.616 1.00 15.99 C ATOM 292 CG2 VAL A 31 71.335 41.713 -14.099 1.00 18.43 C ATOM 293 H VAL A 31 69.951 38.632 -14.374 1.00 0.00 H ATOM 294 N TRP A 32 68.661 39.978 -17.744 1.00 18.78 N ATOM 295 CA TRP A 32 68.565 39.123 -18.957 1.00 21.38 C ATOM 296 C TRP A 32 68.071 39.922 -20.155 1.00 21.94 C ATOM 297 O TRP A 32 67.389 40.943 -19.991 1.00 19.61 O ATOM 298 CB TRP A 32 67.645 37.911 -18.728 1.00 22.01 C ATOM 299 CG TRP A 32 66.159 38.270 -18.757 1.00 23.19 C ATOM 300 CD1 TRP A 32 65.294 38.159 -19.819 1.00 24.92 C ATOM 301 CD2 TRP A 32 65.418 38.857 -17.689 1.00 24.90 C ATOM 302 NE1 TRP A 32 64.059 38.653 -19.463 1.00 24.99 N ATOM 303 CE2 TRP A 32 64.104 39.054 -18.150 1.00 24.17 C ATOM 304 CE3 TRP A 32 65.758 39.261 -16.391 1.00 23.73 C ATOM 305 CZ2 TRP A 32 63.110 39.648 -17.370 1.00 28.27 C ATOM 306 CZ3 TRP A 32 64.747 39.838 -15.578 1.00 29.58 C ATOM 307 CH2 TRP A 32 63.435 40.012 -16.080 1.00 31.48 C ATOM 308 HE1 TRP A 32 63.228 38.713 -20.086 1.00 0.00 H ATOM 309 H TRP A 32 68.075 40.830 -17.633 1.00 0.00 H ATOM 310 N GLY A 33 68.327 39.410 -21.360 1.00 17.75 N ATOM 311 CA GLY A 33 67.860 40.114 -22.537 1.00 19.07 C ATOM 312 C GLY A 33 68.707 39.681 -23.711 1.00 22.96 C ATOM 313 O GLY A 33 69.347 38.655 -23.653 1.00 23.95 O ATOM 314 H GLY A 33 68.854 38.518 -21.453 1.00 0.00 H ATOM 315 N SER A 34 68.680 40.442 -24.772 1.00 22.85 N ATOM 316 CA SER A 34 69.375 40.053 -25.974 1.00 24.32 C ATOM 317 C SER A 34 70.086 41.253 -26.534 1.00 24.24 C ATOM 318 O SER A 34 69.535 42.348 -26.476 1.00 25.19 O ATOM 319 CB SER A 34 68.326 39.564 -26.967 1.00 28.77 C ATOM 320 OG SER A 34 69.015 39.147 -28.108 1.00 34.03 O ATOM 321 HG SER A 34 68.368 38.820 -28.782 1.00 0.00 H ATOM 322 H SER A 34 68.152 41.338 -24.750 1.00 0.00 H ATOM 323 N ILE A 35 71.319 41.084 -27.021 1.00 18.63 N ATOM 324 CA ILE A 35 72.109 42.200 -27.557 1.00 19.72 C ATOM 325 C ILE A 35 72.552 41.628 -28.922 1.00 21.92 C ATOM 326 O ILE A 35 73.060 40.510 -28.971 1.00 21.72 O ATOM 327 CB ILE A 35 73.362 42.496 -26.725 1.00 18.80 C ATOM 328 CG1 ILE A 35 72.998 42.947 -25.286 1.00 20.13 C ATOM 329 CG2 ILE A 35 74.170 43.640 -27.356 1.00 19.60 C ATOM 330 CD1 ILE A 35 74.212 43.217 -24.417 1.00 20.11 C ATOM 331 H ILE A 35 71.733 40.130 -27.020 1.00 0.00 H ATOM 332 N LYS A 36 72.261 42.325 -30.004 1.00 21.19 N ATOM 333 CA LYS A 36 72.656 41.835 -31.346 1.00 22.85 C ATOM 334 C LYS A 36 73.733 42.743 -31.965 1.00 23.91 C ATOM 335 O LYS A 36 74.115 43.801 -31.377 1.00 19.57 O ATOM 336 CB LYS A 36 71.384 41.689 -32.179 1.00 26.55 C ATOM 337 CG LYS A 36 70.824 43.034 -32.604 1.00 29.77 C ATOM 338 CD LYS A 36 69.447 42.800 -33.196 1.00 34.47 C ATOM 339 CE LYS A 36 68.791 44.126 -33.543 1.00 38.25 C ATOM 340 NZ LYS A 36 67.376 43.877 -33.960 1.00 42.63 N ATOM 341 HZ1 LYS A 36 67.366 43.252 -34.792 1.00 0.00 H ATOM 342 HZ2 LYS A 36 66.860 43.424 -33.179 1.00 0.00 H ATOM 343 HZ3 LYS A 36 66.922 44.782 -34.199 1.00 0.00 H ATOM 344 H LYS A 36 71.750 43.226 -29.914 1.00 0.00 H ATOM 345 N GLY A 37 74.312 42.320 -33.117 1.00 20.14 N ATOM 346 CA GLY A 37 75.365 43.100 -33.745 1.00 20.30 C ATOM 347 C GLY A 37 76.768 42.998 -33.180 1.00 20.09 C ATOM 348 O GLY A 37 77.641 43.836 -33.495 1.00 23.11 O ATOM 349 H GLY A 37 73.999 41.430 -33.554 1.00 0.00 H ATOM 350 N LEU A 38 77.020 41.998 -32.340 1.00 20.69 N ATOM 351 CA LEU A 38 78.314 41.822 -31.705 1.00 20.81 C ATOM 352 C LEU A 38 79.192 40.810 -32.507 1.00 23.61 C ATOM 353 O LEU A 38 78.647 39.899 -33.126 1.00 25.51 O ATOM 354 CB LEU A 38 78.137 41.226 -30.312 1.00 21.40 C ATOM 355 CG LEU A 38 77.517 42.200 -29.254 1.00 21.25 C ATOM 356 CD1 LEU A 38 76.966 41.357 -28.094 1.00 20.97 C ATOM 357 CD2 LEU A 38 78.579 43.204 -28.801 1.00 20.17 C ATOM 358 H LEU A 38 76.262 41.317 -32.130 1.00 0.00 H ATOM 359 N THR A 39 80.491 40.978 -32.453 1.00 24.39 N ATOM 360 CA THR A 39 81.420 39.928 -32.945 1.00 29.18 C ATOM 361 C THR A 39 81.310 38.698 -32.015 1.00 31.81 C ATOM 362 O THR A 39 81.094 38.811 -30.788 1.00 25.80 O ATOM 363 CB THR A 39 82.866 40.441 -33.020 1.00 30.96 C ATOM 364 OG1 THR A 39 83.309 40.844 -31.709 1.00 33.15 O ATOM 365 CG2 THR A 39 82.953 41.651 -33.951 1.00 28.25 C ATOM 366 HG1 THR A 39 82.722 41.566 -31.371 1.00 0.00 H ATOM 367 H THR A 39 80.877 41.860 -32.060 1.00 0.00 H ATOM 368 N GLU A 40 81.435 37.509 -32.596 1.00 27.35 N ATOM 369 CA GLU A 40 81.289 36.283 -31.840 1.00 27.06 C ATOM 370 C GLU A 40 82.331 36.253 -30.738 1.00 27.12 C ATOM 371 O GLU A 40 83.477 36.648 -30.973 1.00 29.97 O ATOM 372 CB GLU A 40 81.497 35.092 -32.809 1.00 28.56 C ATOM 373 CG GLU A 40 81.325 33.764 -32.123 1.00 32.00 C ATOM 374 CD GLU A 40 81.583 32.582 -33.066 1.00 40.51 C ATOM 375 OE1 GLU A 40 82.054 32.778 -34.210 1.00 36.95 O ATOM 376 OE2 GLU A 40 81.272 31.464 -32.649 1.00 41.57 O ATOM 377 H GLU A 40 81.642 37.458 -33.614 1.00 0.00 H ATOM 378 N GLY A 41 81.964 35.804 -29.530 1.00 25.61 N ATOM 379 CA GLY A 41 82.934 35.707 -28.403 1.00 26.04 C ATOM 380 C GLY A 41 82.567 36.624 -27.218 1.00 24.95 C ATOM 381 O GLY A 41 81.433 37.124 -27.152 1.00 24.58 O ATOM 382 H GLY A 41 80.977 35.516 -29.375 1.00 0.00 H ATOM 383 N LEU A 42 83.523 36.846 -26.329 1.00 23.29 N ATOM 384 CA LEU A 42 83.293 37.524 -25.045 1.00 24.61 C ATOM 385 C LEU A 42 83.343 39.060 -25.173 1.00 22.92 C ATOM 386 O LEU A 42 84.186 39.605 -25.890 1.00 21.41 O ATOM 387 CB LEU A 42 84.325 37.079 -23.978 1.00 24.47 C ATOM 388 CG LEU A 42 84.441 35.613 -23.503 1.00 31.42 C ATOM 389 CD1 LEU A 42 85.747 35.469 -22.744 1.00 30.08 C ATOM 390 CD2 LEU A 42 83.275 35.210 -22.601 1.00 32.40 C ATOM 391 H LEU A 42 84.487 36.524 -26.551 1.00 0.00 H ATOM 392 N HIS A 43 82.450 39.753 -24.436 1.00 20.10 N ATOM 393 CA HIS A 43 82.380 41.212 -24.428 1.00 19.54 C ATOM 394 C HIS A 43 82.145 41.665 -22.991 1.00 19.47 C ATOM 395 O HIS A 43 81.258 41.138 -22.349 1.00 19.78 O ATOM 396 CB HIS A 43 81.212 41.674 -25.305 1.00 18.36 C ATOM 397 CG HIS A 43 81.431 41.390 -26.766 1.00 19.56 C ATOM 398 ND1 HIS A 43 82.186 42.217 -27.572 1.00 21.93 N ATOM 399 CD2 HIS A 43 81.068 40.334 -27.531 1.00 19.64 C ATOM 400 CE1 HIS A 43 82.231 41.702 -28.797 1.00 23.33 C ATOM 401 NE2 HIS A 43 81.552 40.566 -28.795 1.00 22.99 N ATOM 402 H HIS A 43 81.779 39.222 -23.845 1.00 0.00 H ATOM 403 N GLY A 44 82.968 42.605 -22.520 1.00 17.77 N ATOM 404 CA GLY A 44 82.857 43.130 -21.159 1.00 18.99 C ATOM 405 C GLY A 44 81.460 43.753 -20.980 1.00 18.91 C ATOM 406 O GLY A 44 80.896 44.281 -21.928 1.00 17.55 O ATOM 407 H GLY A 44 83.714 42.977 -23.142 1.00 0.00 H ATOM 408 N PHE A 45 80.895 43.670 -19.775 1.00 18.71 N ATOM 409 CA PHE A 45 79.471 44.047 -19.599 1.00 18.86 C ATOM 410 C PHE A 45 79.448 44.678 -18.227 1.00 19.19 C ATOM 411 O PHE A 45 79.613 43.971 -17.240 1.00 19.22 O ATOM 412 CB PHE A 45 78.617 42.743 -19.660 1.00 18.94 C ATOM 413 CG PHE A 45 77.108 42.943 -19.612 1.00 19.02 C ATOM 414 CD1 PHE A 45 76.420 43.595 -20.624 1.00 21.24 C ATOM 415 CD2 PHE A 45 76.396 42.473 -18.512 1.00 18.98 C ATOM 416 CE1 PHE A 45 75.024 43.695 -20.591 1.00 18.75 C ATOM 417 CE2 PHE A 45 75.004 42.588 -18.472 1.00 20.94 C ATOM 418 CZ PHE A 45 74.335 43.202 -19.506 1.00 19.12 C ATOM 419 H PHE A 45 81.452 43.342 -18.960 1.00 0.00 H ATOM 420 N HIS A 46 79.340 46.003 -18.154 1.00 18.33 N ATOM 421 CA HIS A 46 79.577 46.701 -16.883 1.00 19.18 C ATOM 422 C HIS A 46 78.567 47.813 -16.636 1.00 18.32 C ATOM 423 O HIS A 46 78.103 48.414 -17.579 1.00 16.82 O ATOM 424 CB HIS A 46 80.922 47.389 -16.904 1.00 21.80 C ATOM 425 CG HIS A 46 82.049 46.472 -17.236 1.00 25.69 C ATOM 426 ND1 HIS A 46 82.945 46.747 -18.241 1.00 28.69 N ATOM 427 CD2 HIS A 46 82.428 45.290 -16.704 1.00 25.34 C ATOM 428 CE1 HIS A 46 83.842 45.779 -18.307 1.00 28.09 C ATOM 429 NE2 HIS A 46 83.531 44.863 -17.413 1.00 26.13 N ATOM 430 H HIS A 46 79.086 46.548 -19.003 1.00 0.00 H ATOM 431 N VAL A 47 78.314 48.099 -15.374 1.00 16.08 N ATOM 432 CA VAL A 47 77.545 49.330 -15.062 1.00 16.65 C ATOM 433 C VAL A 47 78.560 50.399 -14.743 1.00 16.40 C ATOM 434 O VAL A 47 79.393 50.231 -13.827 1.00 18.06 O ATOM 435 CB VAL A 47 76.637 49.124 -13.845 1.00 15.88 C ATOM 436 CG1 VAL A 47 75.872 50.430 -13.523 1.00 15.56 C ATOM 437 CG2 VAL A 47 75.676 47.988 -14.113 1.00 16.98 C ATOM 438 H VAL A 47 78.647 47.474 -14.612 1.00 0.00 H ATOM 439 N HIS A 48 78.528 51.487 -15.517 1.00 15.60 N ATOM 440 CA HIS A 48 79.340 52.665 -15.316 1.00 16.22 C ATOM 441 C HIS A 48 78.616 53.689 -14.431 1.00 17.90 C ATOM 442 O HIS A 48 77.395 53.626 -14.274 1.00 19.26 O ATOM 443 CB HIS A 48 79.707 53.258 -16.677 1.00 16.31 C ATOM 444 CG HIS A 48 80.683 52.391 -17.430 1.00 17.76 C ATOM 445 ND1 HIS A 48 81.972 52.785 -17.745 1.00 19.20 N ATOM 446 CD2 HIS A 48 80.547 51.125 -17.898 1.00 17.65 C ATOM 447 CE1 HIS A 48 82.576 51.799 -18.415 1.00 19.97 C ATOM 448 NE2 HIS A 48 81.728 50.787 -18.527 1.00 18.67 N ATOM 449 H HIS A 48 77.871 51.486 -16.323 1.00 0.00 H ATOM 450 N GLU A 49 79.384 54.583 -13.818 1.00 17.77 N ATOM 451 CA GLU A 49 78.881 55.371 -12.693 1.00 18.47 C ATOM 452 C GLU A 49 77.733 56.346 -13.083 1.00 17.51 C ATOM 453 O GLU A 49 76.736 56.455 -12.338 1.00 18.00 O ATOM 454 CB GLU A 49 80.011 56.183 -12.063 1.00 20.74 C ATOM 455 CG GLU A 49 79.482 56.921 -10.834 1.00 23.69 C ATOM 456 CD GLU A 49 80.591 57.512 -9.999 1.00 27.73 C ATOM 457 OE1 GLU A 49 81.757 57.296 -10.357 1.00 29.02 O ATOM 458 OE2 GLU A 49 80.280 58.215 -9.017 1.00 30.00 O ATOM 459 H GLU A 49 80.361 54.725 -14.144 1.00 0.00 H ATOM 460 N PHE A 50 77.862 57.043 -14.206 1.00 16.67 N ATOM 461 CA PHE A 50 76.898 58.146 -14.523 1.00 17.91 C ATOM 462 C PHE A 50 75.922 57.765 -15.585 1.00 18.20 C ATOM 463 O PHE A 50 76.306 57.134 -16.578 1.00 18.96 O ATOM 464 CB PHE A 50 77.667 59.422 -14.915 1.00 19.37 C ATOM 465 CG PHE A 50 78.692 59.806 -13.878 1.00 20.61 C ATOM 466 CD1 PHE A 50 78.268 60.213 -12.604 1.00 21.37 C ATOM 467 CD2 PHE A 50 80.061 59.669 -14.137 1.00 23.51 C ATOM 468 CE1 PHE A 50 79.194 60.504 -11.608 1.00 23.12 C ATOM 469 CE2 PHE A 50 80.995 59.978 -13.144 1.00 24.68 C ATOM 470 CZ PHE A 50 80.549 60.383 -11.889 1.00 22.34 C ATOM 471 H PHE A 50 78.634 56.823 -14.867 1.00 0.00 H ATOM 472 N GLY A 51 74.662 58.181 -15.430 1.00 18.34 N ATOM 473 CA GLY A 51 73.654 57.952 -16.461 1.00 17.50 C ATOM 474 C GLY A 51 73.677 59.146 -17.390 1.00 19.13 C ATOM 475 O GLY A 51 72.649 59.748 -17.659 1.00 18.66 O ATOM 476 H GLY A 51 74.394 58.678 -14.557 1.00 0.00 H ATOM 477 N ASP A 52 74.853 59.520 -17.877 1.00 18.98 N ATOM 478 CA ASP A 52 75.000 60.762 -18.657 1.00 16.25 C ATOM 479 C ASP A 52 75.428 60.287 -20.047 1.00 19.59 C ATOM 480 O ASP A 52 76.572 59.782 -20.222 1.00 18.34 O ATOM 481 CB ASP A 52 76.122 61.608 -18.027 1.00 19.36 C ATOM 482 CG ASP A 52 76.423 62.902 -18.799 1.00 21.37 C ATOM 483 OD1 ASP A 52 76.219 62.964 -20.015 1.00 22.27 O ATOM 484 OD2 ASP A 52 76.926 63.858 -18.170 1.00 22.15 O ATOM 485 H ASP A 52 75.688 58.925 -17.705 1.00 0.00 H ATOM 486 N ASN A 53 74.547 60.459 -21.021 1.00 19.86 N ATOM 487 CA ASN A 53 74.799 60.061 -22.405 1.00 20.50 C ATOM 488 C ASN A 53 75.034 61.279 -23.300 1.00 17.36 C ATOM 489 O ASN A 53 74.931 61.186 -24.512 1.00 18.89 O ATOM 490 CB ASN A 53 73.536 59.306 -22.864 1.00 27.09 C ATOM 491 CG ASN A 53 73.725 58.528 -24.166 1.00 37.34 C ATOM 492 OD1 ASN A 53 74.611 57.666 -24.273 1.00 38.27 O ATOM 493 ND2 ASN A 53 72.859 58.796 -25.148 1.00 36.31 N ATOM 494 HD22 ASN A 53 72.132 59.527 -25.015 1.00 0.00 H ATOM 495 HD21 ASN A 53 72.912 58.273 -26.045 1.00 0.00 H ATOM 496 H ASN A 53 73.633 60.898 -20.790 1.00 0.00 H ATOM 497 N THR A 54 75.406 62.409 -22.739 1.00 16.03 N ATOM 498 CA THR A 54 75.560 63.639 -23.567 1.00 16.40 C ATOM 499 C THR A 54 76.738 63.536 -24.516 1.00 18.51 C ATOM 500 O THR A 54 76.811 64.260 -25.525 1.00 18.90 O ATOM 501 CB THR A 54 75.797 64.903 -22.702 1.00 17.47 C ATOM 502 OG1 THR A 54 76.973 64.752 -21.867 1.00 19.91 O ATOM 503 CG2 THR A 54 74.585 65.112 -21.786 1.00 15.62 C ATOM 504 HG1 THR A 54 76.852 63.975 -21.266 1.00 0.00 H ATOM 505 H THR A 54 75.593 62.444 -21.717 1.00 0.00 H ATOM 506 N ALA A 55 77.691 62.676 -24.166 1.00 18.19 N ATOM 507 CA ALA A 55 78.820 62.399 -25.099 1.00 19.38 C ATOM 508 C ALA A 55 78.739 60.917 -25.485 1.00 22.50 C ATOM 509 O ALA A 55 79.763 60.231 -25.497 1.00 21.06 O ATOM 510 CB ALA A 55 80.150 62.657 -24.412 1.00 20.29 C ATOM 511 H ALA A 55 77.648 62.198 -23.243 1.00 0.00 H ATOM 512 N GLY A 56 77.538 60.406 -25.709 1.00 20.29 N ATOM 513 CA GLY A 56 77.357 58.956 -25.928 1.00 20.75 C ATOM 514 C GLY A 56 77.891 58.162 -24.734 1.00 20.41 C ATOM 515 O GLY A 56 77.749 58.569 -23.571 1.00 20.22 O ATOM 516 H GLY A 56 76.710 61.035 -25.731 1.00 0.00 H ATOM 517 N CYS A 57 78.499 56.991 -24.993 1.00 19.56 N ATOM 518 CA CYS A 57 78.922 56.128 -23.877 1.00 20.59 C ATOM 519 C CYS A 57 80.088 56.713 -23.058 1.00 19.96 C ATOM 520 O CYS A 57 80.318 56.342 -21.904 1.00 19.82 O ATOM 521 CB CYS A 57 79.342 54.748 -24.433 1.00 26.02 C ATOM 522 SG CYS A 57 77.934 53.950 -25.261 1.00 30.98 S ATOM 523 H CYS A 57 78.670 56.696 -25.976 1.00 0.00 H ATOM 524 N THR A 58 80.866 57.583 -23.683 1.00 20.18 N ATOM 525 CA THR A 58 82.040 58.193 -23.007 1.00 21.72 C ATOM 526 C THR A 58 81.724 58.997 -21.731 1.00 20.63 C ATOM 527 O THR A 58 82.468 58.929 -20.729 1.00 20.43 O ATOM 528 CB THR A 58 82.754 59.107 -24.009 1.00 24.32 C ATOM 529 OG1 THR A 58 82.966 58.372 -25.213 1.00 27.06 O ATOM 530 CG2 THR A 58 84.127 59.573 -23.453 1.00 26.18 C ATOM 531 HG1 THR A 58 83.524 57.578 -25.019 1.00 0.00 H ATOM 532 H THR A 58 80.651 57.845 -24.666 1.00 0.00 H ATOM 533 N SER A 59 80.611 59.744 -21.746 1.00 18.72 N ATOM 534 CA SER A 59 80.224 60.534 -20.554 1.00 18.07 C ATOM 535 C SER A 59 79.716 59.728 -19.383 1.00 18.51 C ATOM 536 O SER A 59 79.509 60.268 -18.311 1.00 16.53 O ATOM 537 CB SER A 59 79.183 61.613 -20.941 1.00 18.03 C ATOM 538 OG SER A 59 78.237 61.105 -21.871 1.00 19.06 O ATOM 539 HG SER A 59 77.761 60.336 -21.469 1.00 0.00 H ATOM 540 H SER A 59 80.016 59.769 -22.599 1.00 0.00 H ATOM 541 N ALA A 60 79.528 58.408 -19.554 1.00 17.84 N ATOM 542 CA ALA A 60 79.172 57.540 -18.410 1.00 16.66 C ATOM 543 C ALA A 60 80.282 57.384 -17.372 1.00 18.82 C ATOM 544 O ALA A 60 79.999 57.021 -16.248 1.00 18.98 O ATOM 545 CB ALA A 60 78.673 56.167 -18.900 1.00 16.06 C ATOM 546 H ALA A 60 79.634 57.992 -20.501 1.00 0.00 H ATOM 547 N GLY A 61 81.524 57.767 -17.714 1.00 18.26 N ATOM 548 CA GLY A 61 82.626 57.779 -16.709 1.00 17.69 C ATOM 549 C GLY A 61 83.094 56.333 -16.453 1.00 19.64 C ATOM 550 O GLY A 61 82.813 55.480 -17.266 1.00 20.28 O ATOM 551 H GLY A 61 81.719 58.059 -18.693 1.00 0.00 H ATOM 552 N PRO A 62 83.712 56.063 -15.309 1.00 21.01 N ATOM 553 CA PRO A 62 84.283 54.734 -15.018 1.00 22.39 C ATOM 554 C PRO A 62 83.267 53.754 -14.455 1.00 23.18 C ATOM 555 O PRO A 62 82.063 54.101 -14.326 1.00 21.14 O ATOM 556 CB PRO A 62 85.322 55.067 -13.957 1.00 22.43 C ATOM 557 CG PRO A 62 84.679 56.207 -13.164 1.00 23.31 C ATOM 558 CD PRO A 62 83.979 57.025 -14.210 1.00 22.89 C ATOM 559 N HIS A 63 83.728 52.531 -14.152 1.00 20.75 N ATOM 560 CA HIS A 63 82.827 51.470 -13.614 1.00 19.72 C ATOM 561 C HIS A 63 82.286 52.002 -12.307 1.00 20.98 C ATOM 562 O HIS A 63 82.985 52.743 -11.602 1.00 20.11 O ATOM 563 CB HIS A 63 83.616 50.148 -13.371 1.00 22.06 C ATOM 564 CG HIS A 63 84.052 49.481 -14.643 1.00 20.56 C ATOM 565 ND1 HIS A 63 84.737 48.276 -14.679 1.00 22.72 N ATOM 566 CD2 HIS A 63 83.929 49.871 -15.929 1.00 20.51 C ATOM 567 CE1 HIS A 63 84.992 47.951 -15.936 1.00 21.86 C ATOM 568 NE2 HIS A 63 84.509 48.896 -16.719 1.00 21.59 N ATOM 569 H HIS A 63 84.736 52.318 -14.295 1.00 0.00 H ATOM 570 N PHE A 64 81.022 51.711 -12.018 1.00 17.99 N ATOM 571 CA PHE A 64 80.409 52.157 -10.777 1.00 19.78 C ATOM 572 C PHE A 64 81.119 51.417 -9.642 1.00 21.21 C ATOM 573 O PHE A 64 81.098 50.192 -9.562 1.00 18.58 O ATOM 574 CB PHE A 64 78.915 51.794 -10.815 1.00 18.82 C ATOM 575 CG PHE A 64 78.155 52.100 -9.548 1.00 21.16 C ATOM 576 CD1 PHE A 64 78.302 53.327 -8.881 1.00 23.11 C ATOM 577 CD2 PHE A 64 77.211 51.183 -9.080 1.00 20.84 C ATOM 578 CE1 PHE A 64 77.532 53.580 -7.719 1.00 22.53 C ATOM 579 CE2 PHE A 64 76.442 51.428 -7.939 1.00 22.67 C ATOM 580 CZ PHE A 64 76.615 52.638 -7.270 1.00 21.26 C ATOM 581 H PHE A 64 80.460 51.153 -12.693 1.00 0.00 H ATOM 582 N ASN A 65 81.690 52.175 -8.719 1.00 21.94 N ATOM 583 CA ASN A 65 82.618 51.590 -7.739 1.00 23.31 C ATOM 584 C ASN A 65 82.521 52.381 -6.429 1.00 24.43 C ATOM 585 O ASN A 65 83.483 52.993 -6.021 1.00 27.24 O ATOM 586 CB ASN A 65 84.038 51.660 -8.364 1.00 25.61 C ATOM 587 CG ASN A 65 85.134 51.092 -7.455 1.00 26.23 C ATOM 588 OD1 ASN A 65 84.879 50.273 -6.615 1.00 26.37 O ATOM 589 ND2 ASN A 65 86.357 51.536 -7.673 1.00 27.60 N ATOM 590 HD22 ASN A 65 86.528 52.247 -8.413 1.00 0.00 H ATOM 591 HD21 ASN A 65 87.150 51.175 -7.105 1.00 0.00 H ATOM 592 H ASN A 65 81.481 53.193 -8.686 1.00 0.00 H ATOM 593 N PRO A 66 81.346 52.381 -5.774 1.00 24.85 N ATOM 594 CA PRO A 66 81.177 53.192 -4.563 1.00 28.02 C ATOM 595 C PRO A 66 82.050 52.708 -3.406 1.00 35.74 C ATOM 596 O PRO A 66 82.308 53.500 -2.517 1.00 35.68 O ATOM 597 CB PRO A 66 79.733 52.958 -4.198 1.00 27.07 C ATOM 598 CG PRO A 66 79.447 51.582 -4.707 1.00 25.95 C ATOM 599 CD PRO A 66 80.153 51.572 -6.028 1.00 23.91 C ATOM 600 N LEU A 67 82.519 51.455 -3.430 1.00 35.32 N ATOM 601 CA LEU A 67 83.397 50.939 -2.334 1.00 34.32 C ATOM 602 C LEU A 67 84.881 51.118 -2.616 1.00 36.17 C ATOM 603 O LEU A 67 85.723 50.726 -1.812 1.00 35.10 O ATOM 604 CB LEU A 67 83.056 49.486 -1.975 1.00 36.19 C ATOM 605 CG LEU A 67 81.582 49.222 -1.589 1.00 38.00 C ATOM 606 CD1 LEU A 67 81.260 47.753 -1.356 1.00 36.64 C ATOM 607 CD2 LEU A 67 81.095 50.064 -0.406 1.00 41.55 C ATOM 608 H LEU A 67 82.269 50.830 -4.223 1.00 0.00 H ATOM 609 N SER A 68 85.208 51.714 -3.760 1.00 32.83 N ATOM 610 CA SER A 68 86.586 52.058 -4.107 1.00 34.79 C ATOM 611 C SER A 68 87.477 50.827 -4.119 1.00 39.67 C ATOM 612 O SER A 68 88.570 50.827 -3.547 1.00 36.25 O ATOM 613 CB SER A 68 87.161 53.084 -3.115 1.00 40.08 C ATOM 614 OG SER A 68 86.548 54.344 -3.283 1.00 46.56 O ATOM 615 HG SER A 68 86.708 54.667 -4.205 1.00 0.00 H ATOM 616 H SER A 68 84.452 51.945 -4.436 1.00 0.00 H ATOM 617 N ARG A 69 86.998 49.771 -4.752 1.00 37.30 N ATOM 618 CA ARG A 69 87.780 48.562 -4.897 1.00 36.33 C ATOM 619 C ARG A 69 88.494 48.515 -6.239 1.00 33.88 C ATOM 620 O ARG A 69 88.341 49.409 -7.078 1.00 32.59 O ATOM 621 CB ARG A 69 86.902 47.347 -4.676 1.00 35.16 C ATOM 622 CG ARG A 69 86.264 47.387 -3.306 1.00 42.08 C ATOM 623 CD ARG A 69 85.916 46.000 -2.821 1.00 51.85 C ATOM 624 NE ARG A 69 85.494 46.040 -1.417 1.00 56.04 N ATOM 625 CZ ARG A 69 84.714 45.130 -0.827 1.00 57.25 C ATOM 626 NH1 ARG A 69 84.255 44.078 -1.503 1.00 55.69 N ATOM 627 NH2 ARG A 69 84.394 45.269 0.456 1.00 58.68 N ATOM 628 HE ARG A 69 85.827 46.837 -0.837 1.00 0.00 H ATOM 629 HH12 ARG A 69 83.649 43.379 -1.028 1.00 0.00 H ATOM 630 HH11 ARG A 69 84.503 43.956 -2.506 1.00 0.00 H ATOM 631 HH22 ARG A 69 83.787 44.563 0.920 1.00 0.00 H ATOM 632 HH21 ARG A 69 84.751 46.083 0.996 1.00 0.00 H ATOM 633 H ARG A 69 86.040 49.809 -5.154 1.00 0.00 H ATOM 634 N LYS A 70 89.295 47.473 -6.443 1.00 34.04 N ATOM 635 CA LYS A 70 89.902 47.268 -7.749 1.00 32.96 C ATOM 636 C LYS A 70 88.944 46.419 -8.602 1.00 28.91 C ATOM 637 O LYS A 70 88.071 45.743 -8.068 1.00 26.55 O ATOM 638 CB LYS A 70 91.260 46.566 -7.595 1.00 39.02 C ATOM 639 CG LYS A 70 92.421 47.523 -7.296 1.00 44.63 C ATOM 640 CD LYS A 70 93.703 46.734 -7.060 1.00 52.78 C ATOM 641 CE LYS A 70 93.443 45.615 -6.064 1.00 53.59 C ATOM 642 NZ LYS A 70 94.634 45.401 -5.194 1.00 65.40 N ATOM 643 HZ1 LYS A 70 95.451 45.145 -5.784 1.00 0.00 H ATOM 644 HZ2 LYS A 70 94.842 46.276 -4.672 1.00 0.00 H ATOM 645 HZ3 LYS A 70 94.437 44.633 -4.521 1.00 0.00 H ATOM 646 H LYS A 70 89.487 46.805 -5.669 1.00 0.00 H ATOM 647 N HIS A 71 89.122 46.489 -9.912 1.00 27.46 N ATOM 648 CA HIS A 71 88.317 45.736 -10.857 1.00 28.58 C ATOM 649 C HIS A 71 88.506 44.235 -10.662 1.00 32.83 C ATOM 650 O HIS A 71 89.630 43.789 -10.427 1.00 28.55 O ATOM 651 CB HIS A 71 88.677 46.151 -12.294 1.00 27.49 C ATOM 652 CG HIS A 71 87.950 45.361 -13.347 1.00 28.70 C ATOM 653 ND1 HIS A 71 86.623 45.577 -13.653 1.00 25.24 N ATOM 654 CD2 HIS A 71 88.350 44.332 -14.138 1.00 24.19 C ATOM 655 CE1 HIS A 71 86.228 44.727 -14.579 1.00 28.50 C ATOM 656 NE2 HIS A 71 87.264 43.963 -14.902 1.00 29.04 N ATOM 657 H HIS A 71 89.871 47.110 -10.280 1.00 0.00 H ATOM 658 N GLY A 72 87.413 43.481 -10.775 1.00 26.21 N ATOM 659 CA GLY A 72 87.406 42.022 -10.672 1.00 27.73 C ATOM 660 C GLY A 72 86.307 41.432 -11.535 1.00 27.53 C ATOM 661 O GLY A 72 85.666 42.166 -12.317 1.00 25.63 O ATOM 662 H GLY A 72 86.507 43.961 -10.948 1.00 0.00 H ATOM 663 N GLY A 73 86.109 40.109 -11.424 1.00 24.08 N ATOM 664 CA GLY A 73 84.979 39.451 -12.059 1.00 24.84 C ATOM 665 C GLY A 73 83.868 39.433 -11.032 1.00 25.10 C ATOM 666 O GLY A 73 84.135 39.703 -9.863 1.00 26.17 O ATOM 667 H GLY A 73 86.781 39.541 -10.870 1.00 0.00 H ATOM 668 N PRO A 74 82.641 39.098 -11.448 1.00 27.81 N ATOM 669 CA PRO A 74 81.488 39.236 -10.535 1.00 27.31 C ATOM 670 C PRO A 74 81.598 38.288 -9.377 1.00 31.26 C ATOM 671 O PRO A 74 81.039 38.566 -8.323 1.00 30.04 O ATOM 672 CB PRO A 74 80.273 38.861 -11.388 1.00 28.17 C ATOM 673 CG PRO A 74 80.818 38.300 -12.678 1.00 27.65 C ATOM 674 CD PRO A 74 82.221 38.830 -12.832 1.00 27.29 C ATOM 675 N LYS A 75 82.300 37.168 -9.558 1.00 30.49 N ATOM 676 CA LYS A 75 82.412 36.214 -8.454 1.00 33.08 C ATOM 677 C LYS A 75 83.503 36.571 -7.459 1.00 32.63 C ATOM 678 O LYS A 75 83.581 35.958 -6.430 1.00 37.66 O ATOM 679 CB LYS A 75 82.570 34.790 -8.988 1.00 37.31 C ATOM 680 CG LYS A 75 81.288 34.252 -9.605 1.00 42.77 C ATOM 681 CD LYS A 75 81.409 32.767 -9.942 1.00 55.86 C ATOM 682 CE LYS A 75 81.477 32.491 -11.450 1.00 55.62 C ATOM 683 NZ LYS A 75 80.110 32.331 -12.062 1.00 56.57 N ATOM 684 HZ1 LYS A 75 79.620 31.533 -11.609 1.00 0.00 H ATOM 685 HZ2 LYS A 75 79.562 33.203 -11.917 1.00 0.00 H ATOM 686 HZ3 LYS A 75 80.207 32.146 -13.081 1.00 0.00 H ATOM 687 H LYS A 75 82.761 36.976 -10.470 1.00 0.00 H ATOM 688 N ASP A 76 84.339 37.564 -7.743 1.00 32.50 N ATOM 689 CA ASP A 76 85.393 38.003 -6.817 1.00 33.74 C ATOM 690 C ASP A 76 84.876 38.831 -5.663 1.00 40.22 C ATOM 691 O ASP A 76 83.969 39.633 -5.833 1.00 40.36 O ATOM 692 CB ASP A 76 86.447 38.841 -7.546 1.00 34.35 C ATOM 693 CG ASP A 76 87.243 38.029 -8.509 1.00 36.84 C ATOM 694 OD1 ASP A 76 87.336 36.834 -8.227 1.00 40.15 O ATOM 695 OD2 ASP A 76 87.738 38.544 -9.538 1.00 35.23 O ATOM 696 H ASP A 76 84.244 38.050 -8.657 1.00 0.00 H ATOM 697 N GLU A 77 85.477 38.673 -4.487 1.00 40.83 N ATOM 698 CA GLU A 77 85.247 39.615 -3.400 1.00 40.67 C ATOM 699 C GLU A 77 85.778 40.976 -3.782 1.00 37.61 C ATOM 700 O GLU A 77 85.107 41.982 -3.586 1.00 37.89 O ATOM 701 CB GLU A 77 85.878 39.139 -2.069 1.00 51.30 C ATOM 702 CG GLU A 77 85.596 40.053 -0.867 1.00 58.30 C ATOM 703 CD GLU A 77 84.101 40.112 -0.476 1.00 71.35 C ATOM 704 OE1 GLU A 77 83.351 39.115 -0.704 1.00 69.45 O ATOM 705 OE2 GLU A 77 83.660 41.160 0.070 1.00 71.38 O ATOM 706 H GLU A 77 86.119 37.867 -4.342 1.00 0.00 H ATOM 707 N GLU A 78 86.964 41.029 -4.370 1.00 34.58 N ATOM 708 CA GLU A 78 87.520 42.305 -4.778 1.00 33.60 C ATOM 709 C GLU A 78 86.988 42.662 -6.193 1.00 32.18 C ATOM 710 O GLU A 78 87.501 42.181 -7.212 1.00 29.55 O ATOM 711 CB GLU A 78 89.064 42.260 -4.777 1.00 36.75 C ATOM 712 CG GLU A 78 89.749 43.570 -5.169 1.00 37.51 C ATOM 713 CD GLU A 78 89.714 44.590 -4.031 1.00 42.97 C ATOM 714 OE1 GLU A 78 89.318 44.212 -2.894 1.00 45.75 O ATOM 715 OE2 GLU A 78 90.103 45.767 -4.249 1.00 38.44 O ATOM 716 H GLU A 78 87.498 40.153 -4.540 1.00 0.00 H ATOM 717 N ARG A 79 85.955 43.508 -6.257 1.00 29.05 N ATOM 718 CA ARG A 79 85.369 43.883 -7.568 1.00 26.70 C ATOM 719 C ARG A 79 84.702 45.255 -7.425 1.00 26.78 C ATOM 720 O ARG A 79 84.439 45.703 -6.314 1.00 28.84 O ATOM 721 CB ARG A 79 84.318 42.849 -8.031 1.00 23.73 C ATOM 722 CG ARG A 79 83.236 42.545 -7.002 1.00 24.82 C ATOM 723 CD ARG A 79 82.079 41.827 -7.623 1.00 26.50 C ATOM 724 NE ARG A 79 81.093 42.708 -8.267 1.00 24.64 N ATOM 725 CZ ARG A 79 79.882 42.291 -8.617 1.00 23.57 C ATOM 726 NH1 ARG A 79 79.533 41.018 -8.404 1.00 22.15 N ATOM 727 NH2 ARG A 79 79.007 43.132 -9.186 1.00 22.58 N ATOM 728 HE ARG A 79 81.355 43.697 -8.456 1.00 0.00 H ATOM 729 HH12 ARG A 79 78.586 40.686 -8.676 1.00 0.00 H ATOM 730 HH11 ARG A 79 80.209 40.360 -7.966 1.00 0.00 H ATOM 731 HH22 ARG A 79 78.061 42.794 -9.456 1.00 0.00 H ATOM 732 HH21 ARG A 79 79.274 44.122 -9.358 1.00 0.00 H ATOM 733 H ARG A 79 85.559 43.906 -5.382 1.00 0.00 H ATOM 734 N HIS A 80 84.438 45.896 -8.547 1.00 24.53 N ATOM 735 CA HIS A 80 83.526 47.066 -8.538 1.00 25.83 C ATOM 736 C HIS A 80 82.078 46.588 -8.405 1.00 22.09 C ATOM 737 O HIS A 80 81.724 45.445 -8.801 1.00 21.78 O ATOM 738 CB HIS A 80 83.703 47.827 -9.836 1.00 23.81 C ATOM 739 CG HIS A 80 85.101 48.299 -10.076 1.00 24.35 C ATOM 740 ND1 HIS A 80 85.623 48.440 -11.337 1.00 22.91 N ATOM 741 CD2 HIS A 80 86.089 48.686 -9.224 1.00 24.85 C ATOM 742 CE1 HIS A 80 86.845 48.940 -11.270 1.00 23.74 C ATOM 743 NE2 HIS A 80 87.151 49.089 -9.996 1.00 24.66 N ATOM 744 H HIS A 80 84.870 45.581 -9.439 1.00 0.00 H ATOM 745 N VAL A 81 81.179 47.438 -7.888 1.00 22.21 N ATOM 746 CA VAL A 81 79.776 47.006 -7.840 1.00 19.00 C ATOM 747 C VAL A 81 79.308 46.790 -9.300 1.00 18.00 C ATOM 748 O VAL A 81 78.542 45.877 -9.603 1.00 21.36 O ATOM 749 CB VAL A 81 78.878 48.076 -7.104 1.00 21.24 C ATOM 750 CG1 VAL A 81 77.386 47.808 -7.417 1.00 19.13 C ATOM 751 CG2 VAL A 81 79.166 48.022 -5.612 1.00 22.28 C ATOM 752 H VAL A 81 81.466 48.372 -7.533 1.00 0.00 H ATOM 753 N GLY A 82 79.801 47.614 -10.209 1.00 19.32 N ATOM 754 CA GLY A 82 79.394 47.538 -11.634 1.00 19.78 C ATOM 755 C GLY A 82 80.065 46.410 -12.438 1.00 21.68 C ATOM 756 O GLY A 82 79.781 46.250 -13.613 1.00 20.10 O ATOM 757 H GLY A 82 80.492 48.334 -9.918 1.00 0.00 H ATOM 758 N ASP A 83 80.873 45.565 -11.785 1.00 20.76 N ATOM 759 CA ASP A 83 81.563 44.431 -12.489 1.00 21.84 C ATOM 760 C ASP A 83 80.672 43.235 -12.772 1.00 20.28 C ATOM 761 O ASP A 83 80.665 42.284 -12.018 1.00 25.01 O ATOM 762 CB ASP A 83 82.844 44.024 -11.717 1.00 21.01 C ATOM 763 CG ASP A 83 83.930 45.070 -11.796 1.00 21.08 C ATOM 764 OD1 ASP A 83 83.848 45.886 -12.733 1.00 20.09 O ATOM 765 OD2 ASP A 83 84.918 45.062 -10.972 1.00 24.89 O ATOM 766 H ASP A 83 81.027 45.697 -10.765 1.00 0.00 H ATOM 767 N LEU A 84 79.946 43.254 -13.894 1.00 19.28 N ATOM 768 CA LEU A 84 79.109 42.138 -14.243 1.00 19.77 C ATOM 769 C LEU A 84 79.814 41.109 -15.166 1.00 23.07 C ATOM 770 O LEU A 84 79.135 40.212 -15.702 1.00 25.02 O ATOM 771 CB LEU A 84 77.788 42.586 -14.918 1.00 19.43 C ATOM 772 CG LEU A 84 76.990 43.481 -13.939 1.00 21.56 C ATOM 773 CD1 LEU A 84 75.732 43.926 -14.657 1.00 20.31 C ATOM 774 CD2 LEU A 84 76.654 42.642 -12.722 1.00 23.09 C ATOM 775 H LEU A 84 79.987 44.083 -14.520 1.00 0.00 H ATOM 776 N GLY A 85 81.131 41.251 -15.403 1.00 23.84 N ATOM 777 CA GLY A 85 81.858 40.149 -16.139 1.00 22.00 C ATOM 778 C GLY A 85 81.687 40.316 -17.637 1.00 22.98 C ATOM 779 O GLY A 85 81.725 41.422 -18.155 1.00 21.60 O ATOM 780 H GLY A 85 81.638 42.102 -15.086 1.00 0.00 H ATOM 781 N ASN A 86 81.558 39.200 -18.334 1.00 19.21 N ATOM 782 CA ASN A 86 81.384 39.195 -19.749 1.00 20.43 C ATOM 783 C ASN A 86 80.036 38.624 -20.148 1.00 18.96 C ATOM 784 O ASN A 86 79.425 37.856 -19.396 1.00 21.48 O ATOM 785 CB ASN A 86 82.421 38.218 -20.354 1.00 20.57 C ATOM 786 CG ASN A 86 83.833 38.774 -20.297 1.00 24.85 C ATOM 787 OD1 ASN A 86 84.126 39.781 -20.948 1.00 23.74 O ATOM 788 ND2 ASN A 86 84.708 38.147 -19.485 1.00 22.93 N ATOM 789 HD22 ASN A 86 84.413 37.301 -18.957 1.00 0.00 H ATOM 790 HD21 ASN A 86 85.678 38.509 -19.387 1.00 0.00 H ATOM 791 H ASN A 86 81.584 38.290 -17.830 1.00 0.00 H ATOM 792 N VAL A 87 79.621 38.978 -21.360 1.00 19.41 N ATOM 793 CA VAL A 87 78.554 38.277 -22.048 1.00 18.46 C ATOM 794 C VAL A 87 79.137 37.668 -23.337 1.00 22.01 C ATOM 795 O VAL A 87 80.123 38.184 -23.889 1.00 24.47 O ATOM 796 CB VAL A 87 77.335 39.182 -22.403 1.00 18.86 C ATOM 797 CG1 VAL A 87 76.658 39.610 -21.086 1.00 18.76 C ATOM 798 CG2 VAL A 87 77.745 40.400 -23.270 1.00 17.41 C ATOM 799 H VAL A 87 80.077 39.785 -21.831 1.00 0.00 H ATOM 800 N THR A 88 78.499 36.615 -23.812 1.00 20.96 N ATOM 801 CA THR A 88 79.043 35.835 -24.950 1.00 22.93 C ATOM 802 C THR A 88 78.112 35.929 -26.132 1.00 21.40 C ATOM 803 O THR A 88 76.932 35.639 -26.021 1.00 23.42 O ATOM 804 CB THR A 88 79.174 34.327 -24.563 1.00 24.23 C ATOM 805 OG1 THR A 88 80.087 34.222 -23.470 1.00 25.42 O ATOM 806 CG2 THR A 88 79.673 33.487 -25.781 1.00 24.05 C ATOM 807 HG1 THR A 88 80.182 33.271 -23.211 1.00 0.00 H ATOM 808 H THR A 88 77.598 36.327 -23.380 1.00 0.00 H ATOM 809 N ALA A 89 78.623 36.402 -27.254 1.00 21.44 N ATOM 810 CA ALA A 89 77.820 36.478 -28.452 1.00 22.12 C ATOM 811 C ALA A 89 78.098 35.181 -29.252 1.00 25.25 C ATOM 812 O ALA A 89 79.256 34.764 -29.335 1.00 24.36 O ATOM 813 CB ALA A 89 78.274 37.668 -29.268 1.00 20.91 C ATOM 814 H ALA A 89 79.612 36.723 -27.275 1.00 0.00 H ATOM 815 N ASP A 90 77.039 34.622 -29.816 1.00 25.59 N ATOM 816 CA ASP A 90 77.092 33.386 -30.612 1.00 29.97 C ATOM 817 C ASP A 90 77.517 33.699 -32.053 1.00 30.65 C ATOM 818 O ASP A 90 77.912 34.834 -32.375 1.00 24.45 O ATOM 819 CB ASP A 90 75.755 32.646 -30.543 1.00 29.02 C ATOM 820 CG ASP A 90 74.599 33.391 -31.247 1.00 30.31 C ATOM 821 OD1 ASP A 90 74.818 34.301 -32.092 1.00 29.29 O ATOM 822 OD2 ASP A 90 73.433 33.050 -30.952 1.00 31.43 O ATOM 823 H ASP A 90 76.116 35.083 -29.689 1.00 0.00 H ATOM 824 N LYS A 91 77.477 32.698 -32.933 1.00 30.06 N ATOM 825 CA LYS A 91 78.040 32.922 -34.270 1.00 33.02 C ATOM 826 C LYS A 91 77.194 33.853 -35.127 1.00 27.92 C ATOM 827 O LYS A 91 77.669 34.331 -36.144 1.00 31.72 O ATOM 828 CB LYS A 91 78.271 31.568 -35.009 1.00 36.20 C ATOM 829 CG LYS A 91 76.982 30.796 -35.252 1.00 44.95 C ATOM 830 CD LYS A 91 77.250 29.554 -36.126 1.00 55.31 C ATOM 831 CE LYS A 91 76.355 28.377 -35.745 1.00 53.92 C ATOM 832 NZ LYS A 91 74.895 28.640 -35.908 1.00 61.85 N ATOM 833 HZ1 LYS A 91 74.619 29.441 -35.305 1.00 0.00 H ATOM 834 HZ2 LYS A 91 74.694 28.867 -36.903 1.00 0.00 H ATOM 835 HZ3 LYS A 91 74.358 27.794 -35.629 1.00 0.00 H ATOM 836 H LYS A 91 77.057 31.781 -32.678 1.00 0.00 H ATOM 837 N ASP A 92 75.929 34.057 -34.748 1.00 27.99 N ATOM 838 CA ASP A 92 75.040 35.011 -35.395 1.00 27.95 C ATOM 839 C ASP A 92 75.076 36.449 -34.812 1.00 28.40 C ATOM 840 O ASP A 92 74.257 37.299 -35.198 1.00 27.86 O ATOM 841 CB ASP A 92 73.626 34.495 -35.349 1.00 32.23 C ATOM 842 CG ASP A 92 73.463 33.249 -36.223 1.00 43.78 C ATOM 843 OD1 ASP A 92 74.067 33.234 -37.312 1.00 46.80 O ATOM 844 OD2 ASP A 92 72.800 32.291 -35.794 1.00 45.80 O ATOM 845 H ASP A 92 75.560 33.505 -33.948 1.00 0.00 H ATOM 846 N GLY A 93 75.988 36.689 -33.895 1.00 24.07 N ATOM 847 CA GLY A 93 76.220 38.048 -33.423 1.00 26.51 C ATOM 848 C GLY A 93 75.385 38.396 -32.201 1.00 25.26 C ATOM 849 O GLY A 93 75.335 39.575 -31.832 1.00 27.20 O ATOM 850 H GLY A 93 76.547 35.904 -33.504 1.00 0.00 H ATOM 851 N VAL A 94 74.717 37.400 -31.619 1.00 23.86 N ATOM 852 CA VAL A 94 73.711 37.607 -30.549 1.00 25.26 C ATOM 853 C VAL A 94 74.232 37.116 -29.200 1.00 26.47 C ATOM 854 O VAL A 94 74.686 35.950 -29.069 1.00 22.99 O ATOM 855 CB VAL A 94 72.362 36.937 -30.884 1.00 27.82 C ATOM 856 CG1 VAL A 94 71.349 37.068 -29.725 1.00 26.28 C ATOM 857 CG2 VAL A 94 71.789 37.522 -32.174 1.00 30.39 C ATOM 858 H VAL A 94 74.911 36.427 -31.931 1.00 0.00 H ATOM 859 N ALA A 95 74.173 37.992 -28.189 1.00 23.00 N ATOM 860 CA ALA A 95 74.412 37.568 -26.816 1.00 22.91 C ATOM 861 C ALA A 95 73.052 37.457 -26.132 1.00 24.60 C ATOM 862 O ALA A 95 72.345 38.487 -25.981 1.00 22.59 O ATOM 863 CB ALA A 95 75.333 38.591 -26.062 1.00 21.84 C ATOM 864 H ALA A 95 73.953 38.989 -28.387 1.00 0.00 H ATOM 865 N ASP A 96 72.658 36.238 -25.755 1.00 22.27 N ATOM 866 CA ASP A 96 71.424 36.021 -24.964 1.00 24.38 C ATOM 867 C ASP A 96 71.787 36.035 -23.501 1.00 23.58 C ATOM 868 O ASP A 96 72.138 35.012 -22.861 1.00 21.85 O ATOM 869 CB ASP A 96 70.732 34.741 -25.339 1.00 28.67 C ATOM 870 CG ASP A 96 70.082 34.823 -26.727 1.00 36.53 C ATOM 871 OD1 ASP A 96 69.347 35.818 -27.043 1.00 37.13 O ATOM 872 OD2 ASP A 96 70.328 33.879 -27.519 1.00 37.69 O ATOM 873 H ASP A 96 73.235 35.416 -26.025 1.00 0.00 H ATOM 874 N VAL A 97 71.721 37.232 -22.948 1.00 19.33 N ATOM 875 CA VAL A 97 72.322 37.499 -21.656 1.00 18.33 C ATOM 876 C VAL A 97 71.478 36.830 -20.597 1.00 17.86 C ATOM 877 O VAL A 97 70.267 36.943 -20.612 1.00 19.04 O ATOM 878 CB VAL A 97 72.339 39.039 -21.381 1.00 17.47 C ATOM 879 CG1 VAL A 97 72.932 39.335 -20.007 1.00 18.59 C ATOM 880 CG2 VAL A 97 73.144 39.731 -22.459 1.00 18.37 C ATOM 881 H VAL A 97 71.228 37.999 -23.449 1.00 0.00 H ATOM 882 N SER A 98 72.143 36.211 -19.624 1.00 20.32 N ATOM 883 CA SER A 98 71.489 35.691 -18.462 1.00 22.16 C ATOM 884 C SER A 98 72.461 35.677 -17.287 1.00 25.51 C ATOM 885 O SER A 98 73.433 34.901 -17.247 1.00 26.24 O ATOM 886 CB SER A 98 70.973 34.278 -18.786 1.00 29.97 C ATOM 887 OG SER A 98 70.322 33.773 -17.659 1.00 29.95 O ATOM 888 HG SER A 98 69.563 34.364 -17.425 1.00 0.00 H ATOM 889 H SER A 98 73.174 36.101 -19.711 1.00 0.00 H ATOM 890 N ILE A 99 72.264 36.588 -16.333 1.00 21.89 N ATOM 891 CA ILE A 99 73.203 36.805 -15.252 1.00 23.82 C ATOM 892 C ILE A 99 72.343 36.949 -13.974 1.00 24.09 C ATOM 893 O ILE A 99 71.191 37.432 -14.058 1.00 21.96 O ATOM 894 CB ILE A 99 74.017 38.099 -15.526 1.00 24.76 C ATOM 895 CG1 ILE A 99 75.129 37.809 -16.543 1.00 26.09 C ATOM 896 CG2 ILE A 99 74.729 38.671 -14.265 1.00 24.77 C ATOM 897 CD1 ILE A 99 75.766 39.061 -17.105 1.00 25.88 C ATOM 898 H ILE A 99 71.400 37.166 -16.367 1.00 0.00 H ATOM 899 N GLU A 100 72.853 36.456 -12.845 1.00 22.10 N ATOM 900 CA GLU A 100 72.267 36.787 -11.540 1.00 25.50 C ATOM 901 C GLU A 100 73.358 37.325 -10.653 1.00 26.65 C ATOM 902 O GLU A 100 74.461 36.759 -10.586 1.00 24.39 O ATOM 903 CB GLU A 100 71.552 35.569 -10.981 1.00 29.03 C ATOM 904 CG GLU A 100 70.982 35.761 -9.610 1.00 34.64 C ATOM 905 CD GLU A 100 70.296 34.483 -9.138 1.00 43.35 C ATOM 906 OE1 GLU A 100 69.568 33.857 -9.951 1.00 46.86 O ATOM 907 OE2 GLU A 100 70.529 34.107 -7.975 1.00 48.87 O ATOM 908 H GLU A 100 73.680 35.827 -12.889 1.00 0.00 H ATOM 909 N ASP A 101 73.132 38.484 -10.033 1.00 21.94 N ATOM 910 CA ASP A 101 74.213 39.118 -9.334 1.00 22.99 C ATOM 911 C ASP A 101 73.694 39.582 -7.965 1.00 27.94 C ATOM 912 O ASP A 101 72.584 40.128 -7.906 1.00 25.13 O ATOM 913 CB ASP A 101 74.752 40.315 -10.074 1.00 24.46 C ATOM 914 CG ASP A 101 76.057 40.782 -9.470 1.00 28.37 C ATOM 915 OD1 ASP A 101 77.078 40.071 -9.683 1.00 29.00 O ATOM 916 OD2 ASP A 101 76.103 41.800 -8.724 1.00 25.81 O ATOM 917 H ASP A 101 72.188 38.921 -10.056 1.00 0.00 H ATOM 918 N SER A 102 74.488 39.435 -6.899 1.00 27.15 N ATOM 919 CA SER A 102 74.043 39.797 -5.547 1.00 26.45 C ATOM 920 C SER A 102 74.727 41.039 -5.044 1.00 25.93 C ATOM 921 O SER A 102 74.555 41.439 -3.887 1.00 27.48 O ATOM 922 CB SER A 102 74.293 38.638 -4.573 1.00 30.17 C ATOM 923 OG SER A 102 73.321 37.630 -4.735 1.00 27.54 O ATOM 924 HG SER A 102 73.358 37.283 -5.661 1.00 0.00 H ATOM 925 H SER A 102 75.447 39.054 -7.031 1.00 0.00 H ATOM 926 N VAL A 103 75.532 41.662 -5.884 1.00 22.06 N ATOM 927 CA VAL A 103 76.240 42.812 -5.423 1.00 21.08 C ATOM 928 C VAL A 103 75.523 44.091 -5.935 1.00 24.03 C ATOM 929 O VAL A 103 75.317 45.038 -5.168 1.00 22.58 O ATOM 930 CB VAL A 103 77.721 42.813 -5.824 1.00 23.87 C ATOM 931 CG1 VAL A 103 78.317 44.181 -5.554 1.00 22.02 C ATOM 932 CG2 VAL A 103 78.497 41.758 -5.003 1.00 27.56 C ATOM 933 H VAL A 103 75.648 41.322 -6.860 1.00 0.00 H ATOM 934 N ILE A 104 75.130 44.101 -7.211 1.00 19.59 N ATOM 935 CA ILE A 104 74.251 45.234 -7.703 1.00 18.44 C ATOM 936 C ILE A 104 72.881 45.191 -6.996 1.00 19.04 C ATOM 937 O ILE A 104 72.409 44.119 -6.538 1.00 19.30 O ATOM 938 CB ILE A 104 74.029 45.176 -9.232 1.00 18.63 C ATOM 939 CG1 ILE A 104 73.505 43.794 -9.687 1.00 18.34 C ATOM 940 CG2 ILE A 104 75.324 45.486 -9.976 1.00 19.02 C ATOM 941 CD1 ILE A 104 72.860 43.811 -11.093 1.00 18.28 C ATOM 942 H ILE A 104 75.423 43.342 -7.859 1.00 0.00 H ATOM 943 N SER A 105 72.168 46.325 -6.983 1.00 18.12 N ATOM 944 CA SER A 105 70.801 46.291 -6.452 1.00 17.62 C ATOM 945 C SER A 105 69.975 47.304 -7.260 1.00 17.69 C ATOM 946 O SER A 105 70.547 48.129 -7.960 1.00 17.71 O ATOM 947 CB SER A 105 70.809 46.746 -4.966 1.00 18.93 C ATOM 948 OG SER A 105 69.549 46.417 -4.388 1.00 18.07 O ATOM 949 HG SER A 105 69.538 46.701 -3.440 1.00 0.00 H ATOM 950 H SER A 105 72.576 47.212 -7.342 1.00 0.00 H ATOM 951 N LEU A 106 68.669 47.192 -7.181 1.00 17.76 N ATOM 952 CA LEU A 106 67.781 48.216 -7.753 1.00 19.20 C ATOM 953 C LEU A 106 67.249 49.205 -6.694 1.00 21.84 C ATOM 954 O LEU A 106 66.320 49.978 -6.999 1.00 21.72 O ATOM 955 CB LEU A 106 66.594 47.570 -8.445 1.00 17.45 C ATOM 956 CG LEU A 106 66.950 46.536 -9.535 1.00 18.13 C ATOM 957 CD1 LEU A 106 65.715 45.963 -10.220 1.00 17.78 C ATOM 958 CD2 LEU A 106 67.885 47.151 -10.589 1.00 18.38 C ATOM 959 H LEU A 106 68.255 46.365 -6.706 1.00 0.00 H ATOM 960 N SER A 107 67.791 49.142 -5.496 1.00 22.59 N ATOM 961 CA SER A 107 67.522 50.137 -4.427 1.00 25.83 C ATOM 962 C SER A 107 68.693 50.260 -3.466 1.00 26.09 C ATOM 963 O SER A 107 69.628 49.441 -3.511 1.00 21.53 O ATOM 964 CB SER A 107 66.225 49.756 -3.700 1.00 26.58 C ATOM 965 OG SER A 107 66.309 48.439 -3.172 1.00 29.78 O ATOM 966 HG SER A 107 66.461 47.798 -3.911 1.00 0.00 H ATOM 967 H SER A 107 68.440 48.356 -5.288 1.00 0.00 H ATOM 968 N GLY A 108 68.672 51.288 -2.593 1.00 24.88 N ATOM 969 CA GLY A 108 69.784 51.623 -1.663 1.00 28.91 C ATOM 970 C GLY A 108 71.107 52.050 -2.318 1.00 33.43 C ATOM 971 O GLY A 108 71.127 52.525 -3.439 1.00 33.34 O ATOM 972 H GLY A 108 67.822 51.886 -2.568 1.00 0.00 H ATOM 973 N ASP A 109 72.229 51.841 -1.641 1.00 34.42 N ATOM 974 CA ASP A 109 73.492 52.475 -2.053 1.00 35.34 C ATOM 975 C ASP A 109 74.146 51.799 -3.258 1.00 32.04 C ATOM 976 O ASP A 109 74.886 52.432 -3.984 1.00 31.77 O ATOM 977 CB ASP A 109 74.514 52.518 -0.886 1.00 39.05 C ATOM 978 CG ASP A 109 74.110 53.534 0.243 1.00 47.61 C ATOM 979 OD1 ASP A 109 73.066 54.263 0.130 1.00 48.11 O ATOM 980 OD2 ASP A 109 74.849 53.587 1.257 1.00 49.03 O ATOM 981 H ASP A 109 72.216 51.220 -0.807 1.00 0.00 H ATOM 982 N HIS A 110 73.901 50.513 -3.459 1.00 29.21 N ATOM 983 CA HIS A 110 74.417 49.882 -4.692 1.00 32.10 C ATOM 984 C HIS A 110 73.402 49.973 -5.833 1.00 29.17 C ATOM 985 O HIS A 110 73.478 49.128 -6.749 1.00 26.60 O ATOM 986 CB HIS A 110 74.811 48.403 -4.444 1.00 32.84 C ATOM 987 CG HIS A 110 75.988 48.252 -3.533 1.00 36.74 C ATOM 988 ND1 HIS A 110 76.538 47.024 -3.220 1.00 39.68 N ATOM 989 CD2 HIS A 110 76.719 49.180 -2.859 1.00 38.48 C ATOM 990 CE1 HIS A 110 77.556 47.200 -2.389 1.00 39.45 C ATOM 991 NE2 HIS A 110 77.693 48.499 -2.162 1.00 37.95 N ATOM 992 H HIS A 110 73.358 49.960 -2.765 1.00 0.00 H ATOM 993 N CYS A 111 72.450 50.925 -5.731 1.00 25.74 N ATOM 994 CA CYS A 111 71.340 51.021 -6.691 1.00 22.47 C ATOM 995 C CYS A 111 71.948 51.436 -8.010 1.00 19.37 C ATOM 996 O CYS A 111 72.781 52.369 -8.057 1.00 20.12 O ATOM 997 CB CYS A 111 70.368 52.106 -6.226 1.00 26.94 C ATOM 998 SG CYS A 111 69.059 52.390 -7.403 1.00 30.02 S ATOM 999 H CYS A 111 72.503 51.610 -4.951 1.00 0.00 H ATOM 1000 N ILE A 112 71.577 50.740 -9.079 1.00 17.56 N ATOM 1001 CA ILE A 112 72.126 51.041 -10.402 1.00 16.67 C ATOM 1002 C ILE A 112 71.121 51.755 -11.307 1.00 17.19 C ATOM 1003 O ILE A 112 71.430 52.048 -12.429 1.00 15.83 O ATOM 1004 CB ILE A 112 72.605 49.734 -11.117 1.00 17.78 C ATOM 1005 CG1 ILE A 112 71.458 48.728 -11.214 1.00 18.92 C ATOM 1006 CG2 ILE A 112 73.844 49.158 -10.356 1.00 18.31 C ATOM 1007 CD1 ILE A 112 71.733 47.510 -12.074 1.00 20.56 C ATOM 1008 H ILE A 112 70.886 49.970 -8.974 1.00 0.00 H ATOM 1009 N ILE A 113 69.916 52.012 -10.783 1.00 16.94 N ATOM 1010 CA ILE A 113 68.899 52.838 -11.483 1.00 16.85 C ATOM 1011 C ILE A 113 69.481 54.210 -11.790 1.00 15.73 C ATOM 1012 O ILE A 113 70.067 54.847 -10.918 1.00 15.91 O ATOM 1013 CB ILE A 113 67.654 53.042 -10.586 1.00 17.02 C ATOM 1014 CG1 ILE A 113 67.003 51.711 -10.264 1.00 17.62 C ATOM 1015 CG2 ILE A 113 66.645 54.004 -11.245 1.00 17.16 C ATOM 1016 CD1 ILE A 113 66.679 50.881 -11.487 1.00 18.72 C ATOM 1017 H ILE A 113 69.683 51.618 -9.849 1.00 0.00 H ATOM 1018 N GLY A 114 69.353 54.675 -13.031 1.00 14.47 N ATOM 1019 CA GLY A 114 69.900 56.001 -13.350 1.00 13.90 C ATOM 1020 C GLY A 114 71.356 55.982 -13.760 1.00 15.00 C ATOM 1021 O GLY A 114 71.935 57.036 -14.009 1.00 14.40 O ATOM 1022 H GLY A 114 68.875 54.110 -13.761 1.00 0.00 H ATOM 1023 N ARG A 115 71.980 54.803 -13.709 1.00 15.00 N ATOM 1024 CA ARG A 115 73.429 54.712 -14.124 1.00 14.85 C ATOM 1025 C ARG A 115 73.444 54.065 -15.511 1.00 17.28 C ATOM 1026 O ARG A 115 72.400 53.915 -16.124 1.00 17.99 O ATOM 1027 CB ARG A 115 74.212 53.843 -13.117 1.00 16.61 C ATOM 1028 CG ARG A 115 74.035 54.433 -11.717 1.00 16.38 C ATOM 1029 CD ARG A 115 75.024 53.926 -10.687 1.00 17.76 C ATOM 1030 NE ARG A 115 74.749 54.534 -9.340 1.00 18.46 N ATOM 1031 CZ ARG A 115 75.222 55.705 -8.926 1.00 18.95 C ATOM 1032 NH1 ARG A 115 76.048 56.443 -9.661 1.00 18.53 N ATOM 1033 NH2 ARG A 115 74.939 56.096 -7.690 1.00 20.31 N ATOM 1034 HE ARG A 115 74.144 53.999 -8.684 1.00 0.00 H ATOM 1035 HH12 ARG A 115 76.394 57.354 -9.298 1.00 0.00 H ATOM 1036 HH11 ARG A 115 76.348 56.109 -10.599 1.00 0.00 H ATOM 1037 HH22 ARG A 115 75.295 57.008 -7.339 1.00 0.00 H ATOM 1038 HH21 ARG A 115 74.361 55.491 -7.073 1.00 0.00 H ATOM 1039 H ARG A 115 71.473 53.955 -13.386 1.00 0.00 H ATOM 1040 N THR A 116 74.618 53.783 -16.046 1.00 15.99 N ATOM 1041 CA THR A 116 74.680 53.424 -17.468 1.00 16.35 C ATOM 1042 C THR A 116 75.235 52.017 -17.609 1.00 17.37 C ATOM 1043 O THR A 116 76.327 51.772 -17.083 1.00 17.34 O ATOM 1044 CB THR A 116 75.607 54.367 -18.243 1.00 16.15 C ATOM 1045 OG1 THR A 116 75.018 55.678 -18.338 1.00 17.51 O ATOM 1046 CG2 THR A 116 75.832 53.859 -19.760 1.00 15.80 C ATOM 1047 HG1 THR A 116 74.874 56.040 -17.428 1.00 0.00 H ATOM 1048 H THR A 116 75.483 53.815 -15.470 1.00 0.00 H ATOM 1049 N LEU A 117 74.537 51.157 -18.355 1.00 16.84 N ATOM 1050 CA LEU A 117 75.033 49.823 -18.695 1.00 16.61 C ATOM 1051 C LEU A 117 75.752 49.895 -20.031 1.00 15.16 C ATOM 1052 O LEU A 117 75.219 50.481 -20.970 1.00 15.44 O ATOM 1053 CB LEU A 117 73.849 48.875 -18.857 1.00 15.30 C ATOM 1054 CG LEU A 117 74.216 47.417 -19.120 1.00 15.41 C ATOM 1055 CD1 LEU A 117 74.904 46.768 -17.903 1.00 16.33 C ATOM 1056 CD2 LEU A 117 72.955 46.631 -19.482 1.00 14.38 C ATOM 1057 H LEU A 117 73.603 51.447 -18.709 1.00 0.00 H ATOM 1058 N VAL A 118 76.962 49.329 -20.108 1.00 15.81 N ATOM 1059 CA VAL A 118 77.769 49.410 -21.367 1.00 14.65 C ATOM 1060 C VAL A 118 78.223 47.988 -21.765 1.00 15.72 C ATOM 1061 O VAL A 118 78.628 47.193 -20.896 1.00 16.33 O ATOM 1062 CB VAL A 118 79.049 50.217 -21.088 1.00 16.31 C ATOM 1063 CG1 VAL A 118 79.949 50.292 -22.332 1.00 16.45 C ATOM 1064 CG2 VAL A 118 78.708 51.642 -20.614 1.00 16.41 C ATOM 1065 H VAL A 118 77.347 48.826 -19.283 1.00 0.00 H ATOM 1066 N VAL A 119 78.129 47.671 -23.058 1.00 16.29 N ATOM 1067 CA VAL A 119 78.724 46.437 -23.556 1.00 17.77 C ATOM 1068 C VAL A 119 79.973 46.873 -24.343 1.00 18.94 C ATOM 1069 O VAL A 119 79.972 47.878 -25.086 1.00 18.21 O ATOM 1070 CB VAL A 119 77.732 45.587 -24.373 1.00 19.51 C ATOM 1071 CG1 VAL A 119 77.171 46.379 -25.558 1.00 18.46 C ATOM 1072 CG2 VAL A 119 78.397 44.276 -24.823 1.00 20.25 C ATOM 1073 H VAL A 119 77.630 48.307 -23.712 1.00 0.00 H ATOM 1074 N HIS A 120 81.065 46.164 -24.078 1.00 19.37 N ATOM 1075 CA HIS A 120 82.406 46.559 -24.541 1.00 19.71 C ATOM 1076 C HIS A 120 82.886 45.729 -25.754 1.00 22.09 C ATOM 1077 O HIS A 120 82.316 44.692 -26.093 1.00 22.49 O ATOM 1078 CB HIS A 120 83.396 46.467 -23.394 1.00 18.87 C ATOM 1079 CG HIS A 120 83.250 47.544 -22.351 1.00 21.41 C ATOM 1080 ND1 HIS A 120 84.035 48.682 -22.345 1.00 21.95 N ATOM 1081 CD2 HIS A 120 82.455 47.636 -21.251 1.00 20.31 C ATOM 1082 CE1 HIS A 120 83.714 49.438 -21.304 1.00 23.73 C ATOM 1083 NE2 HIS A 120 82.780 48.815 -20.608 1.00 21.49 N ATOM 1084 H HIS A 120 80.969 45.292 -23.519 1.00 0.00 H ATOM 1085 N GLU A 121 83.930 46.243 -26.385 1.00 22.20 N ATOM 1086 CA GLU A 121 84.502 45.723 -27.622 1.00 24.13 C ATOM 1087 C GLU A 121 85.128 44.336 -27.424 1.00 22.07 C ATOM 1088 O GLU A 121 84.967 43.478 -28.285 1.00 23.81 O ATOM 1089 CB GLU A 121 85.647 46.692 -27.952 1.00 28.50 C ATOM 1090 CG GLU A 121 86.469 46.383 -29.182 1.00 35.75 C ATOM 1091 CD GLU A 121 87.801 47.182 -29.194 1.00 41.78 C ATOM 1092 OE1 GLU A 121 88.534 46.988 -30.184 1.00 48.55 O ATOM 1093 OE2 GLU A 121 88.156 47.957 -28.244 1.00 36.09 O ATOM 1094 H GLU A 121 84.377 47.083 -25.966 1.00 0.00 H ATOM 1095 N LYS A 122 85.813 44.127 -26.307 1.00 26.41 N ATOM 1096 CA LYS A 122 86.593 42.887 -26.111 1.00 28.62 C ATOM 1097 C LYS A 122 86.247 42.218 -24.803 1.00 27.45 C ATOM 1098 O LYS A 122 85.440 42.740 -24.014 1.00 25.69 O ATOM 1099 CB LYS A 122 88.092 43.233 -26.056 1.00 31.17 C ATOM 1100 CG LYS A 122 88.674 43.723 -27.347 1.00 40.15 C ATOM 1101 CD LYS A 122 90.190 43.782 -27.217 1.00 43.61 C ATOM 1102 CE LYS A 122 90.657 45.078 -26.585 1.00 40.91 C ATOM 1103 NZ LYS A 122 91.708 44.804 -25.555 1.00 47.53 N ATOM 1104 HZ1 LYS A 122 91.315 44.187 -24.816 1.00 0.00 H ATOM 1105 HZ2 LYS A 122 92.519 44.334 -26.005 1.00 0.00 H ATOM 1106 HZ3 LYS A 122 92.018 45.701 -25.131 1.00 0.00 H ATOM 1107 H LYS A 122 85.801 44.848 -25.557 1.00 0.00 H ATOM 1108 N ALA A 123 86.887 41.066 -24.520 1.00 26.36 N ATOM 1109 CA ALA A 123 86.662 40.362 -23.238 1.00 24.67 C ATOM 1110 C ALA A 123 87.191 41.202 -22.081 1.00 24.12 C ATOM 1111 O ALA A 123 88.218 41.872 -22.192 1.00 24.78 O ATOM 1112 CB ALA A 123 87.365 38.984 -23.229 1.00 27.55 C ATOM 1113 H ALA A 123 87.550 40.665 -25.214 1.00 0.00 H ATOM 1114 N ASP A 124 86.469 41.167 -20.969 1.00 21.26 N ATOM 1115 CA ASP A 124 86.918 41.630 -19.684 1.00 23.05 C ATOM 1116 C ASP A 124 87.837 40.490 -19.134 1.00 23.46 C ATOM 1117 O ASP A 124 87.406 39.315 -19.026 1.00 22.55 O ATOM 1118 CB ASP A 124 85.650 41.809 -18.782 1.00 21.85 C ATOM 1119 CG ASP A 124 85.956 42.258 -17.374 1.00 28.02 C ATOM 1120 OD1 ASP A 124 87.157 42.282 -16.950 1.00 25.63 O ATOM 1121 OD2 ASP A 124 84.968 42.577 -16.630 1.00 28.11 O ATOM 1122 H ASP A 124 85.507 40.776 -21.031 1.00 0.00 H ATOM 1123 N ASP A 125 89.086 40.832 -18.784 1.00 23.94 N ATOM 1124 CA ASP A 125 90.061 39.827 -18.277 1.00 26.64 C ATOM 1125 C ASP A 125 89.904 39.625 -16.771 1.00 27.47 C ATOM 1126 O ASP A 125 90.630 38.845 -16.128 1.00 25.18 O ATOM 1127 CB ASP A 125 91.502 40.189 -18.685 1.00 28.51 C ATOM 1128 CG ASP A 125 92.045 41.444 -17.964 1.00 29.80 C ATOM 1129 OD1 ASP A 125 91.549 41.862 -16.874 1.00 27.36 O ATOM 1130 OD2 ASP A 125 93.012 42.016 -18.498 1.00 31.94 O ATOM 1131 H ASP A 125 89.381 41.826 -18.869 1.00 0.00 H ATOM 1132 N LEU A 126 88.890 40.288 -16.188 1.00 24.40 N ATOM 1133 CA LEU A 126 88.505 40.036 -14.793 1.00 23.33 C ATOM 1134 C LEU A 126 89.576 40.342 -13.781 1.00 22.39 C ATOM 1135 O LEU A 126 89.567 39.830 -12.667 1.00 22.29 O ATOM 1136 CB LEU A 126 87.932 38.617 -14.579 1.00 24.29 C ATOM 1137 CG LEU A 126 86.930 38.135 -15.640 1.00 28.24 C ATOM 1138 CD1 LEU A 126 86.546 36.694 -15.336 1.00 28.81 C ATOM 1139 CD2 LEU A 126 85.677 39.021 -15.727 1.00 25.71 C ATOM 1140 H LEU A 126 88.365 40.997 -16.739 1.00 0.00 H ATOM 1141 N GLY A 127 90.469 41.236 -14.143 1.00 23.19 N ATOM 1142 CA GLY A 127 91.455 41.663 -13.179 1.00 25.70 C ATOM 1143 C GLY A 127 92.745 40.837 -13.250 1.00 30.26 C ATOM 1144 O GLY A 127 93.643 41.048 -12.439 1.00 30.05 O ATOM 1145 H GLY A 127 90.465 41.628 -15.106 1.00 0.00 H ATOM 1146 N LYS A 128 92.849 39.945 -14.229 1.00 26.08 N ATOM 1147 CA LYS A 128 93.915 38.936 -14.212 1.00 30.39 C ATOM 1148 C LYS A 128 94.889 39.113 -15.367 1.00 31.81 C ATOM 1149 O LYS A 128 95.589 38.161 -15.763 1.00 30.29 O ATOM 1150 CB LYS A 128 93.273 37.532 -14.229 1.00 28.68 C ATOM 1151 CG LYS A 128 92.666 37.221 -12.869 1.00 34.17 C ATOM 1152 CD LYS A 128 91.809 35.977 -12.973 1.00 46.74 C ATOM 1153 CE LYS A 128 91.893 35.175 -11.682 1.00 53.15 C ATOM 1154 NZ LYS A 128 91.999 33.736 -12.071 1.00 55.07 N ATOM 1155 HZ1 LYS A 128 91.159 33.464 -12.620 1.00 0.00 H ATOM 1156 HZ2 LYS A 128 92.853 33.596 -12.648 1.00 0.00 H ATOM 1157 HZ3 LYS A 128 92.059 33.150 -11.214 1.00 0.00 H ATOM 1158 H LYS A 128 92.168 39.962 -15.015 1.00 0.00 H ATOM 1159 N GLY A 129 94.965 40.332 -15.900 1.00 25.52 N ATOM 1160 CA GLY A 129 95.729 40.551 -17.095 1.00 27.26 C ATOM 1161 C GLY A 129 97.170 41.050 -16.812 1.00 27.07 C ATOM 1162 O GLY A 129 97.921 41.246 -17.734 1.00 30.88 O ATOM 1163 H GLY A 129 94.469 41.127 -15.449 1.00 0.00 H ATOM 1164 N GLY A 130 97.514 41.269 -15.562 1.00 25.98 N ATOM 1165 CA GLY A 130 98.893 41.633 -15.180 1.00 27.68 C ATOM 1166 C GLY A 130 99.365 43.035 -15.589 1.00 33.36 C ATOM 1167 O GLY A 130 100.568 43.282 -15.677 1.00 33.54 O ATOM 1168 H GLY A 130 96.792 41.183 -14.819 1.00 0.00 H ATOM 1169 N ASN A 131 98.434 43.956 -15.872 1.00 31.21 N ATOM 1170 CA ASN A 131 98.760 45.382 -16.085 1.00 32.97 C ATOM 1171 C ASN A 131 97.781 46.290 -15.279 1.00 36.19 C ATOM 1172 O ASN A 131 96.797 45.802 -14.675 1.00 34.33 O ATOM 1173 CB ASN A 131 98.828 45.733 -17.583 1.00 36.04 C ATOM 1174 CG ASN A 131 97.534 45.480 -18.312 1.00 41.24 C ATOM 1175 OD1 ASN A 131 96.476 45.418 -17.704 1.00 34.47 O ATOM 1176 ND2 ASN A 131 97.615 45.323 -19.625 1.00 46.70 N ATOM 1177 HD22 ASN A 131 98.538 45.384 -20.100 1.00 0.00 H ATOM 1178 HD21 ASN A 131 96.755 45.139 -20.181 1.00 0.00 H ATOM 1179 H ASN A 131 97.441 43.655 -15.945 1.00 0.00 H ATOM 1180 N GLU A 132 98.031 47.590 -15.203 1.00 34.78 N ATOM 1181 CA GLU A 132 97.140 48.343 -14.314 1.00 38.67 C ATOM 1182 C GLU A 132 95.764 48.549 -14.945 1.00 31.17 C ATOM 1183 O GLU A 132 94.790 48.709 -14.245 1.00 35.60 O ATOM 1184 CB GLU A 132 97.754 49.650 -13.798 1.00 48.97 C ATOM 1185 CG GLU A 132 98.164 50.661 -14.848 1.00 55.19 C ATOM 1186 CD GLU A 132 99.114 51.718 -14.279 1.00 62.13 C ATOM 1187 OE1 GLU A 132 99.449 51.667 -13.068 1.00 64.70 O ATOM 1188 OE2 GLU A 132 99.529 52.608 -15.050 1.00 67.42 O ATOM 1189 H GLU A 132 98.802 48.042 -15.735 1.00 0.00 H ATOM 1190 N GLU A 133 95.692 48.541 -16.265 1.00 30.11 N ATOM 1191 CA GLU A 133 94.412 48.673 -16.964 1.00 33.06 C ATOM 1192 C GLU A 133 93.519 47.484 -16.607 1.00 32.69 C ATOM 1193 O GLU A 133 92.268 47.598 -16.509 1.00 25.14 O ATOM 1194 CB GLU A 133 94.665 48.712 -18.466 1.00 35.35 C ATOM 1195 CG GLU A 133 93.496 49.154 -19.317 1.00 39.79 C ATOM 1196 CD GLU A 133 93.033 50.575 -18.971 1.00 50.23 C ATOM 1197 OE1 GLU A 133 93.774 51.556 -19.247 1.00 51.31 O ATOM 1198 OE2 GLU A 133 91.924 50.701 -18.398 1.00 47.02 O ATOM 1199 H GLU A 133 96.565 48.439 -16.820 1.00 0.00 H ATOM 1200 N SER A 134 94.149 46.322 -16.407 1.00 26.11 N ATOM 1201 CA SER A 134 93.420 45.174 -15.933 1.00 25.60 C ATOM 1202 C SER A 134 92.701 45.383 -14.591 1.00 24.83 C ATOM 1203 O SER A 134 91.588 44.892 -14.418 1.00 26.19 O ATOM 1204 CB SER A 134 94.358 43.965 -15.808 1.00 27.25 C ATOM 1205 OG SER A 134 93.611 42.875 -15.356 1.00 26.22 O ATOM 1206 HG SER A 134 92.889 42.680 -16.005 1.00 0.00 H ATOM 1207 H SER A 134 95.169 46.247 -16.594 1.00 0.00 H ATOM 1208 N THR A 135 93.326 46.038 -13.614 1.00 27.13 N ATOM 1209 CA THR A 135 92.622 46.240 -12.344 1.00 29.99 C ATOM 1210 C THR A 135 91.751 47.545 -12.299 1.00 30.96 C ATOM 1211 O THR A 135 91.266 47.940 -11.244 1.00 30.87 O ATOM 1212 CB THR A 135 93.569 46.134 -11.143 1.00 34.96 C ATOM 1213 OG1 THR A 135 94.726 46.902 -11.418 1.00 37.85 O ATOM 1214 CG2 THR A 135 94.003 44.640 -10.911 1.00 38.04 C ATOM 1215 HG1 THR A 135 95.349 46.844 -10.651 1.00 0.00 H ATOM 1216 H THR A 135 94.292 46.398 -13.749 1.00 0.00 H ATOM 1217 N LYS A 136 91.570 48.165 -13.449 1.00 29.34 N ATOM 1218 CA LYS A 136 90.707 49.355 -13.622 1.00 34.65 C ATOM 1219 C LYS A 136 89.480 49.007 -14.483 1.00 33.47 C ATOM 1220 O LYS A 136 88.341 49.190 -14.047 1.00 32.38 O ATOM 1221 CB LYS A 136 91.523 50.490 -14.239 1.00 35.68 C ATOM 1222 CG LYS A 136 90.762 51.807 -14.397 1.00 40.82 C ATOM 1223 CD LYS A 136 91.467 52.816 -15.305 1.00 43.09 C ATOM 1224 CE LYS A 136 90.552 53.982 -15.653 1.00 44.60 C ATOM 1225 NZ LYS A 136 91.155 54.869 -16.689 1.00 52.00 N ATOM 1226 HZ1 LYS A 136 92.054 55.253 -16.334 1.00 0.00 H ATOM 1227 HZ2 LYS A 136 91.329 54.320 -17.555 1.00 0.00 H ATOM 1228 HZ3 LYS A 136 90.501 55.650 -16.898 1.00 0.00 H ATOM 1229 H LYS A 136 92.064 47.795 -14.286 1.00 0.00 H ATOM 1230 N THR A 137 89.700 48.466 -15.686 1.00 29.29 N ATOM 1231 CA THR A 137 88.625 48.237 -16.656 1.00 30.05 C ATOM 1232 C THR A 137 88.599 46.793 -17.171 1.00 30.74 C ATOM 1233 O THR A 137 87.732 46.429 -17.963 1.00 28.73 O ATOM 1234 CB THR A 137 88.834 49.113 -17.919 1.00 33.16 C ATOM 1235 OG1 THR A 137 90.028 48.676 -18.595 1.00 31.44 O ATOM 1236 CG2 THR A 137 88.989 50.640 -17.584 1.00 29.26 C ATOM 1237 HG1 THR A 137 90.804 48.772 -17.987 1.00 0.00 H ATOM 1238 H THR A 137 90.671 48.197 -15.943 1.00 0.00 H ATOM 1239 N GLY A 138 89.610 45.989 -16.827 1.00 27.99 N ATOM 1240 CA GLY A 138 89.636 44.611 -17.307 1.00 21.84 C ATOM 1241 C GLY A 138 90.102 44.493 -18.738 1.00 22.62 C ATOM 1242 O GLY A 138 89.945 43.412 -19.377 1.00 24.75 O ATOM 1243 H GLY A 138 90.376 46.344 -16.219 1.00 0.00 H ATOM 1244 N ASN A 139 90.621 45.586 -19.284 1.00 26.99 N ATOM 1245 CA ASN A 139 91.067 45.609 -20.690 1.00 29.41 C ATOM 1246 C ASN A 139 89.961 45.292 -21.711 1.00 28.48 C ATOM 1247 O ASN A 139 90.239 44.777 -22.780 1.00 23.15 O ATOM 1248 CB ASN A 139 92.251 44.634 -20.889 1.00 29.76 C ATOM 1249 CG ASN A 139 93.524 45.121 -20.207 1.00 29.96 C ATOM 1250 OD1 ASN A 139 94.050 46.149 -20.579 1.00 33.56 O ATOM 1251 ND2 ASN A 139 93.989 44.412 -19.188 1.00 27.96 N ATOM 1252 HD22 ASN A 139 93.508 43.536 -18.901 1.00 0.00 H ATOM 1253 HD21 ASN A 139 94.835 44.732 -18.675 1.00 0.00 H ATOM 1254 H ASN A 139 90.715 46.446 -18.707 1.00 0.00 H ATOM 1255 N ALA A 140 88.700 45.618 -21.396 1.00 24.91 N ATOM 1256 CA ALA A 140 87.592 45.255 -22.296 1.00 21.91 C ATOM 1257 C ALA A 140 87.469 46.188 -23.502 1.00 21.37 C ATOM 1258 O ALA A 140 86.603 46.019 -24.382 1.00 22.61 O ATOM 1259 CB ALA A 140 86.287 45.204 -21.470 1.00 23.12 C ATOM 1260 H ALA A 140 88.503 46.130 -20.512 1.00 0.00 H ATOM 1261 N GLY A 141 88.319 47.212 -23.529 1.00 23.42 N ATOM 1262 CA GLY A 141 88.408 48.142 -24.651 1.00 23.19 C ATOM 1263 C GLY A 141 87.191 49.061 -24.794 1.00 26.02 C ATOM 1264 O GLY A 141 86.546 49.444 -23.782 1.00 25.18 O ATOM 1265 H GLY A 141 88.948 47.356 -22.714 1.00 0.00 H ATOM 1266 N SER A 142 86.867 49.382 -26.026 1.00 22.04 N ATOM 1267 CA SER A 142 86.004 50.520 -26.302 1.00 27.34 C ATOM 1268 C SER A 142 84.507 50.222 -25.966 1.00 23.91 C ATOM 1269 O SER A 142 84.085 49.048 -25.803 1.00 20.48 O ATOM 1270 CB SER A 142 86.209 50.971 -27.740 1.00 30.27 C ATOM 1271 OG SER A 142 85.426 50.165 -28.566 1.00 33.87 O ATOM 1272 HG SER A 142 84.474 50.260 -28.312 1.00 0.00 H ATOM 1273 H SER A 142 87.233 48.814 -26.816 1.00 0.00 H ATOM 1274 N ARG A 143 83.711 51.289 -25.840 1.00 22.52 N ATOM 1275 CA ARG A 143 82.319 51.120 -25.463 1.00 22.33 C ATOM 1276 C ARG A 143 81.481 50.993 -26.728 1.00 21.04 C ATOM 1277 O ARG A 143 81.304 51.974 -27.474 1.00 22.73 O ATOM 1278 CB ARG A 143 81.923 52.360 -24.606 1.00 20.81 C ATOM 1279 CG ARG A 143 82.817 52.465 -23.362 1.00 20.78 C ATOM 1280 CD ARG A 143 82.578 53.744 -22.539 1.00 20.23 C ATOM 1281 NE ARG A 143 83.587 53.803 -21.511 1.00 20.07 N ATOM 1282 CZ ARG A 143 83.536 54.549 -20.421 1.00 23.29 C ATOM 1283 NH1 ARG A 143 82.477 55.337 -20.210 1.00 19.07 N ATOM 1284 NH2 ARG A 143 84.511 54.464 -19.512 1.00 19.98 N ATOM 1285 HE ARG A 143 84.429 53.206 -21.638 1.00 0.00 H ATOM 1286 HH12 ARG A 143 82.430 55.927 -19.355 1.00 0.00 H ATOM 1287 HH11 ARG A 143 81.700 55.360 -20.901 1.00 0.00 H ATOM 1288 HH22 ARG A 143 84.474 55.050 -18.653 1.00 0.00 H ATOM 1289 HH21 ARG A 143 85.307 53.812 -19.663 1.00 0.00 H ATOM 1290 H ARG A 143 84.090 52.242 -26.012 1.00 0.00 H ATOM 1291 N LEU A 144 80.913 49.832 -27.002 1.00 19.80 N ATOM 1292 CA LEU A 144 80.189 49.649 -28.266 1.00 19.83 C ATOM 1293 C LEU A 144 78.769 50.178 -28.222 1.00 18.98 C ATOM 1294 O LEU A 144 78.249 50.697 -29.226 1.00 18.72 O ATOM 1295 CB LEU A 144 80.144 48.160 -28.643 1.00 22.75 C ATOM 1296 CG LEU A 144 81.527 47.470 -28.851 1.00 23.71 C ATOM 1297 CD1 LEU A 144 81.206 46.106 -29.414 1.00 26.78 C ATOM 1298 CD2 LEU A 144 82.362 48.278 -29.828 1.00 27.19 C ATOM 1299 H LEU A 144 80.979 49.048 -26.322 1.00 0.00 H ATOM 1300 N ALA A 145 78.099 50.016 -27.072 1.00 18.80 N ATOM 1301 CA ALA A 145 76.695 50.500 -26.954 1.00 17.45 C ATOM 1302 C ALA A 145 76.395 50.681 -25.469 1.00 18.66 C ATOM 1303 O ALA A 145 77.048 50.049 -24.622 1.00 16.39 O ATOM 1304 CB ALA A 145 75.675 49.499 -27.515 1.00 17.41 C ATOM 1305 H ALA A 145 78.559 49.553 -26.263 1.00 0.00 H ATOM 1306 N CYS A 146 75.402 51.512 -25.170 1.00 17.37 N ATOM 1307 CA CYS A 146 75.083 51.728 -23.756 1.00 18.18 C ATOM 1308 C CYS A 146 73.697 52.314 -23.654 1.00 16.22 C ATOM 1309 O CYS A 146 73.068 52.692 -24.691 1.00 15.41 O ATOM 1310 CB CYS A 146 76.067 52.727 -23.098 1.00 19.07 C ATOM 1311 SG CYS A 146 76.100 54.365 -23.946 1.00 25.07 S ATOM 1312 H CYS A 146 74.866 51.996 -25.919 1.00 0.00 H ATOM 1313 N GLY A 147 73.205 52.357 -22.416 1.00 15.72 N ATOM 1314 CA GLY A 147 71.903 53.030 -22.174 1.00 14.73 C ATOM 1315 C GLY A 147 71.807 53.341 -20.705 1.00 15.00 C ATOM 1316 O GLY A 147 72.524 52.733 -19.866 1.00 14.68 O ATOM 1317 H GLY A 147 73.727 51.924 -21.628 1.00 0.00 H ATOM 1318 N VAL A 148 70.878 54.240 -20.375 1.00 15.87 N ATOM 1319 CA VAL A 148 70.634 54.555 -18.955 1.00 16.08 C ATOM 1320 C VAL A 148 69.659 53.504 -18.425 1.00 14.71 C ATOM 1321 O VAL A 148 68.671 53.169 -19.052 1.00 17.14 O ATOM 1322 CB VAL A 148 70.042 55.990 -18.795 1.00 17.00 C ATOM 1323 CG1 VAL A 148 69.829 56.312 -17.311 1.00 16.53 C ATOM 1324 CG2 VAL A 148 70.961 57.019 -19.459 1.00 16.30 C ATOM 1325 H VAL A 148 70.327 54.717 -21.117 1.00 0.00 H ATOM 1326 N ILE A 149 69.889 53.020 -17.233 1.00 15.42 N ATOM 1327 CA ILE A 149 69.029 52.010 -16.651 1.00 15.82 C ATOM 1328 C ILE A 149 67.799 52.694 -16.029 1.00 17.27 C ATOM 1329 O ILE A 149 67.947 53.571 -15.164 1.00 18.98 O ATOM 1330 CB ILE A 149 69.809 51.213 -15.563 1.00 16.26 C ATOM 1331 CG1 ILE A 149 71.000 50.487 -16.247 1.00 17.20 C ATOM 1332 CG2 ILE A 149 68.873 50.197 -14.880 1.00 15.45 C ATOM 1333 CD1 ILE A 149 72.033 49.940 -15.235 1.00 16.52 C ATOM 1334 H ILE A 149 70.706 53.367 -16.691 1.00 0.00 H ATOM 1335 N GLY A 150 66.611 52.304 -16.470 1.00 15.98 N ATOM 1336 CA GLY A 150 65.362 53.052 -16.115 1.00 15.97 C ATOM 1337 C GLY A 150 64.441 52.143 -15.322 1.00 16.57 C ATOM 1338 O GLY A 150 64.507 50.903 -15.455 1.00 15.16 O ATOM 1339 H GLY A 150 66.545 51.461 -17.075 1.00 0.00 H ATOM 1340 N ILE A 151 63.568 52.754 -14.495 1.00 15.21 N ATOM 1341 CA ILE A 151 62.536 52.029 -13.771 1.00 17.20 C ATOM 1342 C ILE A 151 61.523 51.451 -14.729 1.00 17.32 C ATOM 1343 O ILE A 151 61.082 52.141 -15.657 1.00 17.70 O ATOM 1344 CB ILE A 151 61.794 52.946 -12.714 1.00 19.01 C ATOM 1345 CG1 ILE A 151 62.830 53.359 -11.693 1.00 22.50 C ATOM 1346 CG2 ILE A 151 60.766 52.088 -11.926 1.00 24.25 C ATOM 1347 CD1 ILE A 151 62.495 54.639 -10.899 1.00 28.81 C ATOM 1348 H ILE A 151 63.636 53.784 -14.370 1.00 0.00 H ATOM 1349 N ALA A 152 61.162 50.168 -14.546 1.00 16.62 N ATOM 1350 CA ALA A 152 60.215 49.535 -15.469 1.00 19.83 C ATOM 1351 C ALA A 152 58.960 49.087 -14.739 1.00 22.77 C ATOM 1352 O ALA A 152 58.967 48.936 -13.501 1.00 21.77 O ATOM 1353 CB ALA A 152 60.852 48.303 -16.146 1.00 17.80 C ATOM 1354 H ALA A 152 61.554 49.626 -13.750 1.00 0.00 H ATOM 1355 N GLN A 153 57.897 48.857 -15.508 1.00 25.31 N ATOM 1356 CA GLN A 153 56.601 48.455 -14.938 1.00 33.10 C ATOM 1357 C GLN A 153 56.599 46.990 -14.527 1.00 38.84 C ATOM 1358 O GLN A 153 57.034 46.140 -15.338 1.00 41.00 O ATOM 1359 CB GLN A 153 55.481 48.615 -15.955 1.00 33.26 C ATOM 1360 CG GLN A 153 54.118 48.416 -15.314 1.00 37.61 C ATOM 1361 CD GLN A 153 53.036 48.757 -16.292 1.00 41.61 C ATOM 1362 OE1 GLN A 153 53.091 48.324 -17.445 1.00 44.98 O ATOM 1363 NE2 GLN A 153 52.068 49.555 -15.866 1.00 46.04 N ATOM 1364 OXT GLN A 153 56.173 46.649 -13.405 1.00 46.87 O ATOM 1365 HE22 GLN A 153 52.068 49.893 -14.882 1.00 0.00 H ATOM 1366 HE21 GLN A 153 51.308 49.843 -16.515 1.00 0.00 H ATOM 1367 H GLN A 153 57.985 48.964 -16.539 1.00 0.00 H TER 1368 GLN A 153 ATOM 1369 N MET B 0 73.827 60.879 -1.864 1.00 53.92 N ATOM 1370 CA MET B 0 72.563 61.322 -2.533 1.00 56.21 C ATOM 1371 C MET B 0 72.922 62.191 -3.756 1.00 54.55 C ATOM 1372 O MET B 0 73.841 63.031 -3.697 1.00 53.02 O ATOM 1373 CB MET B 0 71.669 62.099 -1.561 1.00 52.85 C ATOM 1374 HN3 MET B 0 74.366 61.714 -1.557 1.00 0.00 H ATOM 1375 HN2 MET B 0 74.397 60.325 -2.535 1.00 0.00 H ATOM 1376 HN1 MET B 0 73.593 60.292 -1.038 1.00 0.00 H ATOM 1377 N ALA B 1 72.213 61.958 -4.865 1.00 48.56 N ATOM 1378 CA ALA B 1 72.436 62.692 -6.131 1.00 38.47 C ATOM 1379 C ALA B 1 72.072 64.162 -6.012 1.00 32.61 C ATOM 1380 O ALA B 1 71.025 64.505 -5.466 1.00 30.75 O ATOM 1381 CB ALA B 1 71.640 62.047 -7.268 1.00 38.71 C ATOM 1382 H ALA B 1 71.472 61.229 -4.837 1.00 0.00 H ATOM 1383 N THR B 2 72.952 65.044 -6.487 1.00 28.18 N ATOM 1384 CA THR B 2 72.567 66.438 -6.507 1.00 24.38 C ATOM 1385 C THR B 2 72.416 66.910 -7.950 1.00 20.22 C ATOM 1386 O THR B 2 71.979 68.036 -8.178 1.00 19.25 O ATOM 1387 CB THR B 2 73.556 67.338 -5.751 1.00 27.32 C ATOM 1388 OG1 THR B 2 74.794 67.334 -6.474 1.00 28.30 O ATOM 1389 CG2 THR B 2 73.789 66.833 -4.328 1.00 29.02 C ATOM 1390 HG1 THR B 2 75.142 66.408 -6.526 1.00 0.00 H ATOM 1391 H THR B 2 73.885 64.740 -6.832 1.00 0.00 H ATOM 1392 N LYS B 3 72.818 66.086 -8.916 1.00 18.59 N ATOM 1393 CA LYS B 3 72.709 66.464 -10.331 1.00 18.06 C ATOM 1394 C LYS B 3 72.253 65.303 -11.167 1.00 15.51 C ATOM 1395 O LYS B 3 72.677 64.158 -10.955 1.00 16.20 O ATOM 1396 CB LYS B 3 74.066 66.938 -10.907 1.00 19.85 C ATOM 1397 CG LYS B 3 74.613 68.242 -10.301 1.00 27.18 C ATOM 1398 CD LYS B 3 76.012 68.506 -10.891 1.00 32.72 C ATOM 1399 CE LYS B 3 75.961 69.049 -12.315 1.00 32.39 C ATOM 1400 NZ LYS B 3 77.358 69.478 -12.760 1.00 35.38 N ATOM 1401 HZ1 LYS B 3 77.711 70.220 -12.122 1.00 0.00 H ATOM 1402 HZ2 LYS B 3 77.998 68.659 -12.728 1.00 0.00 H ATOM 1403 HZ3 LYS B 3 77.313 69.847 -13.731 1.00 0.00 H ATOM 1404 H LYS B 3 73.216 65.159 -8.664 1.00 0.00 H ATOM 1405 N ALA B 4 71.468 65.611 -12.190 1.00 15.04 N ATOM 1406 CA ALA B 4 71.007 64.574 -13.117 1.00 14.59 C ATOM 1407 C ALA B 4 70.974 65.201 -14.507 1.00 13.79 C ATOM 1408 O ALA B 4 71.071 66.440 -14.670 1.00 14.39 O ATOM 1409 CB ALA B 4 69.598 64.015 -12.714 1.00 14.32 C ATOM 1410 H ALA B 4 71.176 66.599 -12.336 1.00 0.00 H ATOM 1411 N VAL B 5 70.836 64.346 -15.521 1.00 13.02 N ATOM 1412 CA VAL B 5 70.855 64.833 -16.910 1.00 13.75 C ATOM 1413 C VAL B 5 69.980 63.871 -17.776 1.00 14.15 C ATOM 1414 O VAL B 5 69.796 62.690 -17.446 1.00 15.21 O ATOM 1415 CB VAL B 5 72.310 64.932 -17.429 1.00 14.56 C ATOM 1416 CG1 VAL B 5 72.965 63.541 -17.573 1.00 14.56 C ATOM 1417 CG2 VAL B 5 72.398 65.709 -18.729 1.00 16.48 C ATOM 1418 H VAL B 5 70.714 63.331 -15.330 1.00 0.00 H ATOM 1419 N CYS B 6 69.459 64.404 -18.863 1.00 15.17 N ATOM 1420 CA CYS B 6 68.603 63.636 -19.736 1.00 15.80 C ATOM 1421 C CYS B 6 68.880 64.057 -21.161 1.00 15.08 C ATOM 1422 O CYS B 6 68.856 65.231 -21.474 1.00 14.41 O ATOM 1423 CB CYS B 6 67.144 63.990 -19.394 1.00 18.10 C ATOM 1424 SG CYS B 6 66.001 63.047 -20.409 1.00 19.73 S ATOM 1425 H CYS B 6 69.668 65.396 -19.096 1.00 0.00 H ATOM 1426 N VAL B 7 69.132 63.085 -22.030 1.00 14.38 N ATOM 1427 CA VAL B 7 69.298 63.382 -23.441 1.00 15.41 C ATOM 1428 C VAL B 7 68.000 63.023 -24.149 1.00 15.73 C ATOM 1429 O VAL B 7 67.575 61.872 -24.101 1.00 15.26 O ATOM 1430 CB VAL B 7 70.465 62.561 -24.041 1.00 16.70 C ATOM 1431 CG1 VAL B 7 70.507 62.781 -25.562 1.00 18.63 C ATOM 1432 CG2 VAL B 7 71.751 62.960 -23.313 1.00 16.68 C ATOM 1433 H VAL B 7 69.211 62.103 -21.697 1.00 0.00 H ATOM 1434 N LEU B 8 67.350 64.021 -24.774 1.00 15.59 N ATOM 1435 CA LEU B 8 66.031 63.775 -25.387 1.00 16.35 C ATOM 1436 C LEU B 8 66.268 63.490 -26.883 1.00 17.13 C ATOM 1437 O LEU B 8 67.034 64.217 -27.540 1.00 17.09 O ATOM 1438 CB LEU B 8 65.186 65.059 -25.292 1.00 18.26 C ATOM 1439 CG LEU B 8 64.816 65.547 -23.868 1.00 20.21 C ATOM 1440 CD1 LEU B 8 63.989 66.837 -23.963 1.00 24.92 C ATOM 1441 CD2 LEU B 8 63.896 64.549 -23.259 1.00 19.36 C ATOM 1442 H LEU B 8 67.778 64.967 -24.825 1.00 0.00 H ATOM 1443 N LYS B 9 65.648 62.426 -27.370 1.00 16.63 N ATOM 1444 CA LYS B 9 65.738 62.002 -28.770 1.00 18.91 C ATOM 1445 C LYS B 9 64.373 61.442 -29.160 1.00 17.78 C ATOM 1446 O LYS B 9 63.649 60.936 -28.306 1.00 17.70 O ATOM 1447 CB LYS B 9 66.794 60.878 -28.920 1.00 20.44 C ATOM 1448 CG LYS B 9 68.227 61.297 -28.584 1.00 23.66 C ATOM 1449 CD LYS B 9 69.312 60.443 -29.257 1.00 23.20 C ATOM 1450 CE LYS B 9 70.727 61.018 -28.990 1.00 22.02 C ATOM 1451 NZ LYS B 9 71.439 60.030 -28.114 1.00 23.15 N ATOM 1452 HZ1 LYS B 9 70.913 59.915 -27.224 1.00 0.00 H ATOM 1453 HZ2 LYS B 9 71.499 59.114 -28.604 1.00 0.00 H ATOM 1454 HZ3 LYS B 9 72.397 60.378 -27.909 1.00 0.00 H ATOM 1455 H LYS B 9 65.064 61.859 -26.722 1.00 0.00 H ATOM 1456 N GLY B 10 64.006 61.502 -30.442 1.00 19.97 N ATOM 1457 CA GLY B 10 62.740 60.872 -30.863 1.00 22.46 C ATOM 1458 C GLY B 10 62.835 60.431 -32.332 1.00 28.96 C ATOM 1459 O GLY B 10 63.912 60.307 -32.866 1.00 27.86 O ATOM 1460 H GLY B 10 64.607 61.988 -31.138 1.00 0.00 H ATOM 1461 N ASP B 11 61.695 60.267 -32.983 1.00 31.05 N ATOM 1462 CA ASP B 11 61.679 59.828 -34.383 1.00 37.45 C ATOM 1463 C ASP B 11 61.892 60.935 -35.377 1.00 36.81 C ATOM 1464 O ASP B 11 62.225 60.689 -36.538 1.00 38.59 O ATOM 1465 CB ASP B 11 60.348 59.189 -34.677 1.00 39.66 C ATOM 1466 CG ASP B 11 60.206 57.901 -33.991 1.00 43.79 C ATOM 1467 OD1 ASP B 11 61.246 57.227 -33.803 1.00 44.90 O ATOM 1468 OD2 ASP B 11 59.076 57.578 -33.586 1.00 50.24 O ATOM 1469 H ASP B 11 60.796 60.452 -32.495 1.00 0.00 H ATOM 1470 N GLY B 12 61.714 62.153 -34.919 1.00 32.04 N ATOM 1471 CA GLY B 12 61.801 63.291 -35.767 1.00 30.17 C ATOM 1472 C GLY B 12 63.007 64.110 -35.410 1.00 27.98 C ATOM 1473 O GLY B 12 63.999 63.603 -34.889 1.00 30.88 O ATOM 1474 H GLY B 12 61.504 62.289 -33.910 1.00 0.00 H ATOM 1475 N PRO B 13 62.915 65.403 -35.665 1.00 24.59 N ATOM 1476 CA PRO B 13 64.070 66.246 -35.527 1.00 24.87 C ATOM 1477 C PRO B 13 64.279 66.768 -34.077 1.00 21.78 C ATOM 1478 O PRO B 13 65.240 67.475 -33.813 1.00 22.39 O ATOM 1479 CB PRO B 13 63.715 67.407 -36.435 1.00 24.14 C ATOM 1480 CG PRO B 13 62.239 67.536 -36.245 1.00 26.05 C ATOM 1481 CD PRO B 13 61.757 66.128 -36.247 1.00 25.45 C ATOM 1482 N VAL B 14 63.379 66.426 -33.156 1.00 19.64 N ATOM 1483 CA VAL B 14 63.441 67.093 -31.823 1.00 18.61 C ATOM 1484 C VAL B 14 64.516 66.424 -30.981 1.00 18.44 C ATOM 1485 O VAL B 14 64.519 65.195 -30.838 1.00 19.84 O ATOM 1486 CB VAL B 14 62.068 67.063 -31.114 1.00 17.64 C ATOM 1487 CG1 VAL B 14 62.198 67.676 -29.693 1.00 17.31 C ATOM 1488 CG2 VAL B 14 61.080 67.912 -31.921 1.00 19.10 C ATOM 1489 H VAL B 14 62.651 65.712 -33.361 1.00 0.00 H ATOM 1490 N GLN B 15 65.441 67.222 -30.444 1.00 20.85 N ATOM 1491 CA GLN B 15 66.483 66.681 -29.591 1.00 19.49 C ATOM 1492 C GLN B 15 67.052 67.717 -28.658 1.00 17.57 C ATOM 1493 O GLN B 15 67.010 68.922 -28.925 1.00 19.98 O ATOM 1494 CB GLN B 15 67.642 66.104 -30.420 1.00 23.78 C ATOM 1495 CG GLN B 15 68.292 67.117 -31.299 1.00 29.57 C ATOM 1496 CD GLN B 15 69.418 66.464 -32.116 1.00 41.67 C ATOM 1497 OE1 GLN B 15 69.300 66.303 -33.307 1.00 43.74 O ATOM 1498 NE2 GLN B 15 70.493 66.062 -31.448 1.00 45.10 N ATOM 1499 HE22 GLN B 15 70.557 66.219 -30.422 1.00 0.00 H ATOM 1500 HE21 GLN B 15 71.271 65.590 -31.951 1.00 0.00 H ATOM 1501 H GLN B 15 65.415 68.243 -30.639 1.00 0.00 H ATOM 1502 N GLY B 16 67.610 67.255 -27.557 1.00 16.93 N ATOM 1503 CA GLY B 16 68.178 68.207 -26.604 1.00 17.26 C ATOM 1504 C GLY B 16 68.762 67.564 -25.389 1.00 15.24 C ATOM 1505 O GLY B 16 68.824 66.368 -25.328 1.00 16.10 O ATOM 1506 H GLY B 16 67.646 66.233 -27.370 1.00 0.00 H ATOM 1507 N ILE B 17 69.281 68.397 -24.493 1.00 14.81 N ATOM 1508 CA ILE B 17 69.885 67.938 -23.296 1.00 14.60 C ATOM 1509 C ILE B 17 69.285 68.790 -22.204 1.00 13.62 C ATOM 1510 O ILE B 17 69.374 70.022 -22.258 1.00 15.81 O ATOM 1511 CB ILE B 17 71.402 68.164 -23.344 1.00 16.47 C ATOM 1512 CG1 ILE B 17 72.049 67.126 -24.332 1.00 19.43 C ATOM 1513 CG2 ILE B 17 72.004 67.949 -21.953 1.00 19.77 C ATOM 1514 CD1 ILE B 17 73.518 67.505 -24.664 1.00 20.72 C ATOM 1515 H ILE B 17 69.243 69.420 -24.676 1.00 0.00 H ATOM 1516 N ILE B 18 68.760 68.129 -21.180 1.00 13.35 N ATOM 1517 CA ILE B 18 68.182 68.871 -20.035 1.00 13.58 C ATOM 1518 C ILE B 18 68.943 68.447 -18.759 1.00 15.59 C ATOM 1519 O ILE B 18 69.145 67.234 -18.464 1.00 15.32 O ATOM 1520 CB ILE B 18 66.667 68.520 -19.876 1.00 14.13 C ATOM 1521 CG1 ILE B 18 65.864 69.014 -21.120 1.00 11.56 C ATOM 1522 CG2 ILE B 18 66.088 69.125 -18.568 1.00 13.16 C ATOM 1523 CD1 ILE B 18 65.975 70.565 -21.284 1.00 13.90 C ATOM 1524 H ILE B 18 68.754 67.089 -21.181 1.00 0.00 H ATOM 1525 N ASN B 19 69.347 69.459 -17.998 1.00 15.50 N ATOM 1526 CA ASN B 19 70.076 69.257 -16.734 1.00 15.15 C ATOM 1527 C ASN B 19 69.150 69.452 -15.550 1.00 14.44 C ATOM 1528 O ASN B 19 68.208 70.268 -15.662 1.00 14.34 O ATOM 1529 CB ASN B 19 71.200 70.304 -16.656 1.00 17.50 C ATOM 1530 CG ASN B 19 72.121 70.239 -17.871 1.00 19.25 C ATOM 1531 OD1 ASN B 19 72.089 71.114 -18.790 1.00 23.30 O ATOM 1532 ND2 ASN B 19 72.891 69.215 -17.911 1.00 16.34 N ATOM 1533 HD22 ASN B 19 72.880 68.526 -17.132 1.00 0.00 H ATOM 1534 HD21 ASN B 19 73.526 69.074 -18.722 1.00 0.00 H ATOM 1535 H ASN B 19 69.141 70.430 -18.307 1.00 0.00 H ATOM 1536 N PHE B 20 69.414 68.747 -14.439 1.00 14.77 N ATOM 1537 CA PHE B 20 68.604 68.900 -13.199 1.00 13.55 C ATOM 1538 C PHE B 20 69.626 69.097 -12.086 1.00 15.57 C ATOM 1539 O PHE B 20 70.663 68.354 -12.058 1.00 16.40 O ATOM 1540 CB PHE B 20 67.857 67.620 -12.864 1.00 14.23 C ATOM 1541 CG PHE B 20 66.813 67.241 -13.896 1.00 16.39 C ATOM 1542 CD1 PHE B 20 67.185 66.503 -15.024 1.00 16.26 C ATOM 1543 CD2 PHE B 20 65.496 67.686 -13.762 1.00 15.14 C ATOM 1544 CE1 PHE B 20 66.232 66.187 -15.988 1.00 17.12 C ATOM 1545 CE2 PHE B 20 64.521 67.344 -14.704 1.00 15.68 C ATOM 1546 CZ PHE B 20 64.921 66.585 -15.822 1.00 16.33 C ATOM 1547 H PHE B 20 70.207 68.074 -14.444 1.00 0.00 H ATOM 1548 N GLU B 21 69.385 70.057 -11.189 1.00 15.18 N ATOM 1549 CA GLU B 21 70.340 70.263 -10.067 1.00 18.43 C ATOM 1550 C GLU B 21 69.509 70.459 -8.835 1.00 18.09 C ATOM 1551 O GLU B 21 68.522 71.198 -8.884 1.00 17.41 O ATOM 1552 CB GLU B 21 71.090 71.597 -10.260 1.00 20.70 C ATOM 1553 CG GLU B 21 71.894 71.649 -11.496 1.00 30.02 C ATOM 1554 CD GLU B 21 72.492 73.003 -11.803 1.00 31.17 C ATOM 1555 OE1 GLU B 21 72.519 73.952 -10.941 1.00 32.79 O ATOM 1556 OE2 GLU B 21 72.945 73.088 -12.950 1.00 33.48 O ATOM 1557 H GLU B 21 68.538 70.655 -11.274 1.00 0.00 H ATOM 1558 N GLN B 22 69.941 69.906 -7.714 1.00 16.90 N ATOM 1559 CA GLN B 22 69.158 70.091 -6.491 1.00 18.39 C ATOM 1560 C GLN B 22 70.180 70.288 -5.347 1.00 21.72 C ATOM 1561 O GLN B 22 70.901 69.348 -5.000 1.00 22.89 O ATOM 1562 CB GLN B 22 68.217 68.894 -6.269 1.00 17.05 C ATOM 1563 CG GLN B 22 67.301 69.045 -5.034 1.00 17.26 C ATOM 1564 CD GLN B 22 66.440 67.810 -4.816 1.00 18.94 C ATOM 1565 OE1 GLN B 22 66.843 66.723 -5.130 1.00 18.93 O ATOM 1566 NE2 GLN B 22 65.266 67.986 -4.234 1.00 19.77 N ATOM 1567 HE22 GLN B 22 64.951 68.943 -3.977 1.00 0.00 H ATOM 1568 HE21 GLN B 22 64.657 67.167 -4.033 1.00 0.00 H ATOM 1569 H GLN B 22 70.820 69.350 -7.702 1.00 0.00 H ATOM 1570 N LYS B 23 70.216 71.505 -4.824 1.00 27.97 N ATOM 1571 CA LYS B 23 71.161 71.930 -3.752 1.00 33.96 C ATOM 1572 C LYS B 23 70.952 71.090 -2.491 1.00 33.29 C ATOM 1573 O LYS B 23 71.902 70.532 -1.925 1.00 34.69 O ATOM 1574 CB LYS B 23 70.975 73.430 -3.473 1.00 36.79 C ATOM 1575 CG LYS B 23 71.909 74.036 -2.414 1.00 41.18 C ATOM 1576 CD LYS B 23 71.316 75.341 -1.876 1.00 47.27 C ATOM 1577 CE LYS B 23 72.355 76.268 -1.235 1.00 55.02 C ATOM 1578 NZ LYS B 23 73.601 75.575 -0.769 1.00 57.42 N ATOM 1579 HZ1 LYS B 23 73.352 74.859 -0.057 1.00 0.00 H ATOM 1580 HZ2 LYS B 23 74.063 75.114 -1.579 1.00 0.00 H ATOM 1581 HZ3 LYS B 23 74.248 76.273 -0.350 1.00 0.00 H ATOM 1582 H LYS B 23 69.541 72.209 -5.185 1.00 0.00 H ATOM 1583 N GLU B 24 69.698 70.937 -2.101 1.00 29.98 N ATOM 1584 CA GLU B 24 69.355 70.283 -0.842 1.00 30.73 C ATOM 1585 C GLU B 24 68.255 69.303 -1.106 1.00 28.74 C ATOM 1586 O GLU B 24 67.380 69.598 -1.902 1.00 29.90 O ATOM 1587 CB GLU B 24 68.807 71.340 0.150 1.00 34.64 C ATOM 1588 CG GLU B 24 69.747 72.490 0.468 1.00 43.65 C ATOM 1589 CD GLU B 24 70.981 72.035 1.243 1.00 55.55 C ATOM 1590 OE1 GLU B 24 70.999 70.879 1.754 1.00 59.24 O ATOM 1591 OE2 GLU B 24 71.951 72.818 1.322 1.00 56.77 O ATOM 1592 H GLU B 24 68.933 71.293 -2.709 1.00 0.00 H ATOM 1593 N SER B 25 68.230 68.169 -0.420 1.00 30.89 N ATOM 1594 CA SER B 25 67.189 67.207 -0.707 1.00 37.13 C ATOM 1595 C SER B 25 65.830 67.765 -0.255 1.00 35.16 C ATOM 1596 O SER B 25 64.800 67.375 -0.764 1.00 35.92 O ATOM 1597 CB SER B 25 67.496 65.873 -0.059 1.00 39.09 C ATOM 1598 OG SER B 25 67.495 66.030 1.339 1.00 41.87 O ATOM 1599 HG SER B 25 68.184 66.692 1.596 1.00 0.00 H ATOM 1600 H SER B 25 68.945 67.975 0.310 1.00 0.00 H ATOM 1601 N ASN B 26 65.831 68.753 0.627 1.00 35.05 N ATOM 1602 CA ASN B 26 64.550 69.384 0.938 1.00 42.86 C ATOM 1603 C ASN B 26 64.050 70.291 -0.196 1.00 45.57 C ATOM 1604 O ASN B 26 62.857 70.349 -0.449 1.00 59.09 O ATOM 1605 CB ASN B 26 64.491 70.020 2.360 1.00 39.65 C ATOM 1606 CG ASN B 26 65.464 71.196 2.583 1.00 43.93 C ATOM 1607 OD1 ASN B 26 66.414 71.436 1.832 1.00 42.63 O ATOM 1608 ND2 ASN B 26 65.223 71.927 3.663 1.00 42.71 N ATOM 1609 HD22 ASN B 26 64.414 71.699 4.276 1.00 0.00 H ATOM 1610 HD21 ASN B 26 65.843 72.729 3.897 1.00 0.00 H ATOM 1611 H ASN B 26 66.712 69.068 1.082 1.00 0.00 H ATOM 1612 N GLY B 27 64.971 70.866 -0.964 1.00 34.65 N ATOM 1613 CA GLY B 27 64.669 72.008 -1.770 1.00 32.77 C ATOM 1614 C GLY B 27 64.292 71.774 -3.227 1.00 25.12 C ATOM 1615 O GLY B 27 64.171 70.654 -3.698 1.00 22.46 O ATOM 1616 H GLY B 27 65.935 70.475 -0.979 1.00 0.00 H ATOM 1617 N PRO B 28 64.077 72.876 -3.924 1.00 25.78 N ATOM 1618 CA PRO B 28 63.656 72.853 -5.295 1.00 24.14 C ATOM 1619 C PRO B 28 64.756 72.271 -6.225 1.00 19.74 C ATOM 1620 O PRO B 28 65.950 72.281 -5.895 1.00 17.67 O ATOM 1621 CB PRO B 28 63.401 74.328 -5.597 1.00 24.63 C ATOM 1622 CG PRO B 28 64.134 75.080 -4.545 1.00 28.69 C ATOM 1623 CD PRO B 28 64.137 74.240 -3.362 1.00 27.61 C ATOM 1624 N VAL B 29 64.303 71.795 -7.370 1.00 18.20 N ATOM 1625 CA VAL B 29 65.164 71.311 -8.424 1.00 15.29 C ATOM 1626 C VAL B 29 65.173 72.361 -9.542 1.00 16.43 C ATOM 1627 O VAL B 29 64.099 72.840 -9.983 1.00 15.28 O ATOM 1628 CB VAL B 29 64.610 69.981 -8.966 1.00 15.19 C ATOM 1629 CG1 VAL B 29 65.508 69.460 -10.110 1.00 14.86 C ATOM 1630 CG2 VAL B 29 64.556 68.927 -7.866 1.00 14.24 C ATOM 1631 H VAL B 29 63.274 71.767 -7.521 1.00 0.00 H ATOM 1632 N LYS B 30 66.374 72.757 -9.966 1.00 15.36 N ATOM 1633 CA LYS B 30 66.508 73.628 -11.114 1.00 17.46 C ATOM 1634 C LYS B 30 66.626 72.745 -12.367 1.00 17.66 C ATOM 1635 O LYS B 30 67.403 71.755 -12.371 1.00 17.92 O ATOM 1636 CB LYS B 30 67.764 74.495 -10.902 1.00 19.73 C ATOM 1637 CG LYS B 30 67.952 75.576 -11.969 1.00 29.79 C ATOM 1638 CD LYS B 30 66.923 76.716 -11.768 1.00 40.38 C ATOM 1639 CE LYS B 30 66.992 77.774 -12.865 1.00 47.34 C ATOM 1640 NZ LYS B 30 66.611 77.104 -14.143 1.00 43.23 N ATOM 1641 HZ1 LYS B 30 67.276 76.328 -14.338 1.00 0.00 H ATOM 1642 HZ2 LYS B 30 65.647 76.723 -14.059 1.00 0.00 H ATOM 1643 HZ3 LYS B 30 66.646 77.795 -14.919 1.00 0.00 H ATOM 1644 H LYS B 30 67.226 72.435 -9.464 1.00 0.00 H ATOM 1645 N VAL B 31 65.922 73.107 -13.440 1.00 16.52 N ATOM 1646 CA VAL B 31 65.830 72.264 -14.638 1.00 15.12 C ATOM 1647 C VAL B 31 66.191 73.207 -15.792 1.00 17.36 C ATOM 1648 O VAL B 31 65.554 74.283 -15.971 1.00 16.29 O ATOM 1649 CB VAL B 31 64.379 71.764 -14.848 1.00 16.02 C ATOM 1650 CG1 VAL B 31 64.347 70.853 -16.091 1.00 14.02 C ATOM 1651 CG2 VAL B 31 63.847 70.999 -13.607 1.00 14.64 C ATOM 1652 H VAL B 31 65.421 74.018 -13.428 1.00 0.00 H ATOM 1653 N TRP B 32 67.241 72.919 -16.558 1.00 16.13 N ATOM 1654 CA TRP B 32 67.607 73.890 -17.587 1.00 17.06 C ATOM 1655 C TRP B 32 68.342 73.175 -18.708 1.00 16.72 C ATOM 1656 O TRP B 32 68.955 72.123 -18.490 1.00 15.68 O ATOM 1657 CB TRP B 32 68.486 75.004 -17.024 1.00 18.49 C ATOM 1658 CG TRP B 32 69.812 74.480 -16.438 1.00 21.50 C ATOM 1659 CD1 TRP B 32 70.027 73.957 -15.183 1.00 22.47 C ATOM 1660 CD2 TRP B 32 71.046 74.400 -17.113 1.00 25.44 C ATOM 1661 NE1 TRP B 32 71.311 73.563 -15.054 1.00 25.87 N ATOM 1662 CE2 TRP B 32 71.966 73.820 -16.228 1.00 26.03 C ATOM 1663 CE3 TRP B 32 71.459 74.739 -18.414 1.00 28.70 C ATOM 1664 CZ2 TRP B 32 73.308 73.576 -16.577 1.00 31.18 C ATOM 1665 CZ3 TRP B 32 72.818 74.514 -18.762 1.00 33.40 C ATOM 1666 CH2 TRP B 32 73.714 73.948 -17.832 1.00 28.15 C ATOM 1667 HE1 TRP B 32 71.732 73.136 -14.205 1.00 0.00 H ATOM 1668 H TRP B 32 67.779 72.038 -16.429 1.00 0.00 H ATOM 1669 N GLY B 33 68.328 73.750 -19.897 1.00 15.92 N ATOM 1670 CA GLY B 33 69.047 73.089 -21.012 1.00 17.01 C ATOM 1671 C GLY B 33 68.379 73.590 -22.270 1.00 19.21 C ATOM 1672 O GLY B 33 67.622 74.538 -22.246 1.00 21.72 O ATOM 1673 H GLY B 33 67.824 74.647 -20.048 1.00 0.00 H ATOM 1674 N SER B 34 68.668 72.975 -23.392 1.00 18.48 N ATOM 1675 CA SER B 34 68.138 73.502 -24.628 1.00 19.33 C ATOM 1676 C SER B 34 67.570 72.339 -25.444 1.00 19.76 C ATOM 1677 O SER B 34 68.161 71.225 -25.476 1.00 20.45 O ATOM 1678 CB SER B 34 69.309 74.193 -25.325 1.00 23.63 C ATOM 1679 OG SER B 34 68.901 74.506 -26.607 1.00 32.66 O ATOM 1680 HG SER B 34 69.641 74.957 -27.087 1.00 0.00 H ATOM 1681 H SER B 34 69.267 72.125 -23.392 1.00 0.00 H ATOM 1682 N ILE B 35 66.428 72.552 -26.095 1.00 15.68 N ATOM 1683 CA ILE B 35 65.838 71.527 -26.945 1.00 16.65 C ATOM 1684 C ILE B 35 65.668 72.214 -28.308 1.00 20.07 C ATOM 1685 O ILE B 35 65.221 73.368 -28.352 1.00 19.12 O ATOM 1686 CB ILE B 35 64.433 71.109 -26.445 1.00 16.43 C ATOM 1687 CG1 ILE B 35 64.498 70.602 -25.004 1.00 16.12 C ATOM 1688 CG2 ILE B 35 63.822 70.048 -27.378 1.00 17.62 C ATOM 1689 CD1 ILE B 35 63.115 70.290 -24.386 1.00 19.03 C ATOM 1690 H ILE B 35 65.948 73.469 -25.994 1.00 0.00 H ATOM 1691 N LYS B 36 66.027 71.526 -29.399 1.00 19.14 N ATOM 1692 CA LYS B 36 65.873 72.161 -30.691 1.00 21.26 C ATOM 1693 C LYS B 36 65.013 71.320 -31.600 1.00 19.81 C ATOM 1694 O LYS B 36 64.643 70.204 -31.261 1.00 18.76 O ATOM 1695 CB LYS B 36 67.259 72.428 -31.285 1.00 25.36 C ATOM 1696 CG LYS B 36 67.955 71.190 -31.759 1.00 30.82 C ATOM 1697 CD LYS B 36 69.279 71.558 -32.434 1.00 40.76 C ATOM 1698 CE LYS B 36 70.248 70.388 -32.413 1.00 44.78 C ATOM 1699 NZ LYS B 36 69.726 69.337 -33.323 1.00 49.44 N ATOM 1700 HZ1 LYS B 36 68.788 69.031 -32.995 1.00 0.00 H ATOM 1701 HZ2 LYS B 36 69.649 69.721 -34.286 1.00 0.00 H ATOM 1702 HZ3 LYS B 36 70.377 68.526 -33.323 1.00 0.00 H ATOM 1703 H LYS B 36 66.406 70.561 -29.320 1.00 0.00 H ATOM 1704 N GLY B 37 64.652 71.867 -32.763 1.00 19.25 N ATOM 1705 CA GLY B 37 63.801 71.135 -33.681 1.00 19.19 C ATOM 1706 C GLY B 37 62.314 71.223 -33.421 1.00 19.58 C ATOM 1707 O GLY B 37 61.513 70.482 -34.022 1.00 20.60 O ATOM 1708 H GLY B 37 64.982 72.821 -33.011 1.00 0.00 H ATOM 1709 N LEU B 38 61.896 72.124 -32.533 1.00 18.45 N ATOM 1710 CA LEU B 38 60.488 72.166 -32.142 1.00 16.51 C ATOM 1711 C LEU B 38 59.764 73.195 -33.009 1.00 18.94 C ATOM 1712 O LEU B 38 60.417 74.138 -33.430 1.00 20.79 O ATOM 1713 CB LEU B 38 60.380 72.685 -30.685 1.00 16.65 C ATOM 1714 CG LEU B 38 60.811 71.614 -29.612 1.00 15.47 C ATOM 1715 CD1 LEU B 38 61.130 72.369 -28.324 1.00 16.89 C ATOM 1716 CD2 LEU B 38 59.741 70.542 -29.383 1.00 15.85 C ATOM 1717 H LEU B 38 62.571 72.797 -32.118 1.00 0.00 H ATOM 1718 N THR B 39 58.445 73.049 -33.185 1.00 20.39 N ATOM 1719 CA THR B 39 57.601 74.147 -33.693 1.00 21.33 C ATOM 1720 C THR B 39 57.589 75.331 -32.694 1.00 23.78 C ATOM 1721 O THR B 39 57.511 75.116 -31.473 1.00 19.93 O ATOM 1722 CB THR B 39 56.139 73.687 -33.950 1.00 22.21 C ATOM 1723 OG1 THR B 39 55.536 73.215 -32.730 1.00 22.69 O ATOM 1724 CG2 THR B 39 56.076 72.527 -35.028 1.00 21.58 C ATOM 1725 HG1 THR B 39 55.531 73.945 -32.062 1.00 0.00 H ATOM 1726 H THR B 39 58.003 72.136 -32.957 1.00 0.00 H ATOM 1727 N GLU B 40 57.585 76.569 -33.204 1.00 20.62 N ATOM 1728 CA GLU B 40 57.543 77.751 -32.345 1.00 22.60 C ATOM 1729 C GLU B 40 56.307 77.659 -31.455 1.00 23.64 C ATOM 1730 O GLU B 40 55.245 77.255 -31.918 1.00 22.59 O ATOM 1731 CB GLU B 40 57.456 79.019 -33.242 1.00 24.00 C ATOM 1732 CG GLU B 40 57.391 80.308 -32.468 1.00 25.22 C ATOM 1733 CD GLU B 40 57.360 81.537 -33.400 1.00 33.91 C ATOM 1734 OE1 GLU B 40 57.337 81.349 -34.636 1.00 31.74 O ATOM 1735 OE2 GLU B 40 57.435 82.672 -32.877 1.00 34.33 O ATOM 1736 H GLU B 40 57.612 76.693 -34.236 1.00 0.00 H ATOM 1737 N GLY B 41 56.447 77.993 -30.182 1.00 20.59 N ATOM 1738 CA GLY B 41 55.299 78.071 -29.276 1.00 22.33 C ATOM 1739 C GLY B 41 55.428 77.072 -28.122 1.00 20.45 C ATOM 1740 O GLY B 41 56.550 76.601 -27.821 1.00 18.53 O ATOM 1741 H GLY B 41 57.397 78.206 -29.816 1.00 0.00 H ATOM 1742 N LEU B 42 54.292 76.767 -27.488 1.00 18.21 N ATOM 1743 CA LEU B 42 54.287 75.997 -26.235 1.00 18.99 C ATOM 1744 C LEU B 42 54.270 74.506 -26.486 1.00 17.47 C ATOM 1745 O LEU B 42 53.552 74.050 -27.375 1.00 16.15 O ATOM 1746 CB LEU B 42 53.019 76.349 -25.382 1.00 19.54 C ATOM 1747 CG LEU B 42 52.934 77.783 -24.824 1.00 23.50 C ATOM 1748 CD1 LEU B 42 51.495 78.006 -24.307 1.00 23.36 C ATOM 1749 CD2 LEU B 42 53.861 77.980 -23.672 1.00 23.11 C ATOM 1750 H LEU B 42 53.387 77.083 -27.892 1.00 0.00 H ATOM 1751 N HIS B 43 55.014 73.740 -25.669 1.00 13.94 N ATOM 1752 CA HIS B 43 55.014 72.263 -25.691 1.00 13.58 C ATOM 1753 C HIS B 43 54.961 71.717 -24.283 1.00 12.13 C ATOM 1754 O HIS B 43 55.795 72.117 -23.457 1.00 13.52 O ATOM 1755 CB HIS B 43 56.363 71.839 -26.338 1.00 13.33 C ATOM 1756 CG HIS B 43 56.422 72.232 -27.787 1.00 15.42 C ATOM 1757 ND1 HIS B 43 55.965 71.411 -28.790 1.00 17.06 N ATOM 1758 CD2 HIS B 43 56.868 73.362 -28.388 1.00 15.26 C ATOM 1759 CE1 HIS B 43 56.127 72.027 -29.956 1.00 16.17 C ATOM 1760 NE2 HIS B 43 56.658 73.211 -29.729 1.00 17.63 N ATOM 1761 H HIS B 43 55.628 74.217 -24.978 1.00 0.00 H ATOM 1762 N GLY B 44 54.086 70.747 -24.050 1.00 13.42 N ATOM 1763 CA GLY B 44 53.934 70.066 -22.765 1.00 12.67 C ATOM 1764 C GLY B 44 55.306 69.428 -22.400 1.00 13.49 C ATOM 1765 O GLY B 44 56.005 68.952 -23.292 1.00 12.40 O ATOM 1766 H GLY B 44 53.468 70.452 -24.833 1.00 0.00 H ATOM 1767 N PHE B 45 55.638 69.410 -21.129 1.00 12.90 N ATOM 1768 CA PHE B 45 57.002 69.028 -20.699 1.00 15.12 C ATOM 1769 C PHE B 45 56.758 68.274 -19.415 1.00 14.64 C ATOM 1770 O PHE B 45 56.427 68.882 -18.400 1.00 14.49 O ATOM 1771 CB PHE B 45 57.834 70.307 -20.486 1.00 14.78 C ATOM 1772 CG PHE B 45 59.307 70.072 -20.210 1.00 14.93 C ATOM 1773 CD1 PHE B 45 60.160 69.505 -21.204 1.00 17.20 C ATOM 1774 CD2 PHE B 45 59.846 70.483 -18.985 1.00 14.51 C ATOM 1775 CE1 PHE B 45 61.572 69.408 -20.946 1.00 15.82 C ATOM 1776 CE2 PHE B 45 61.219 70.312 -18.716 1.00 14.63 C ATOM 1777 CZ PHE B 45 62.048 69.803 -19.706 1.00 14.85 C ATOM 1778 H PHE B 45 54.930 69.669 -20.412 1.00 0.00 H ATOM 1779 N HIS B 46 56.902 66.939 -19.454 1.00 13.21 N ATOM 1780 CA HIS B 46 56.485 66.118 -18.318 1.00 14.33 C ATOM 1781 C HIS B 46 57.472 65.030 -17.984 1.00 14.43 C ATOM 1782 O HIS B 46 58.093 64.464 -18.869 1.00 14.80 O ATOM 1783 CB HIS B 46 55.141 65.424 -18.610 1.00 16.44 C ATOM 1784 CG HIS B 46 54.081 66.380 -19.072 1.00 17.70 C ATOM 1785 ND1 HIS B 46 53.443 66.246 -20.284 1.00 19.37 N ATOM 1786 CD2 HIS B 46 53.590 67.508 -18.506 1.00 17.93 C ATOM 1787 CE1 HIS B 46 52.567 67.233 -20.433 1.00 20.38 C ATOM 1788 NE2 HIS B 46 52.662 68.035 -19.386 1.00 20.40 N ATOM 1789 H HIS B 46 57.312 66.487 -20.296 1.00 0.00 H ATOM 1790 N VAL B 47 57.536 64.689 -16.711 1.00 13.80 N ATOM 1791 CA VAL B 47 58.199 63.435 -16.317 1.00 13.99 C ATOM 1792 C VAL B 47 57.173 62.316 -16.289 1.00 14.59 C ATOM 1793 O VAL B 47 56.129 62.399 -15.604 1.00 15.55 O ATOM 1794 CB VAL B 47 58.835 63.538 -14.932 1.00 13.85 C ATOM 1795 CG1 VAL B 47 59.577 62.222 -14.593 1.00 13.59 C ATOM 1796 CG2 VAL B 47 59.816 64.700 -14.900 1.00 15.07 C ATOM 1797 H VAL B 47 57.118 65.306 -15.986 1.00 0.00 H ATOM 1798 N HIS B 48 57.439 61.253 -17.047 1.00 12.57 N ATOM 1799 CA HIS B 48 56.524 60.115 -17.120 1.00 12.69 C ATOM 1800 C HIS B 48 57.088 58.983 -16.229 1.00 14.94 C ATOM 1801 O HIS B 48 58.299 58.989 -15.881 1.00 15.70 O ATOM 1802 CB HIS B 48 56.437 59.666 -18.614 1.00 13.09 C ATOM 1803 CG HIS B 48 55.622 60.595 -19.458 1.00 13.52 C ATOM 1804 ND1 HIS B 48 54.429 60.218 -20.022 1.00 14.29 N ATOM 1805 CD2 HIS B 48 55.820 61.894 -19.814 1.00 13.74 C ATOM 1806 CE1 HIS B 48 53.957 61.215 -20.759 1.00 15.04 C ATOM 1807 NE2 HIS B 48 54.771 62.257 -20.624 1.00 15.71 N ATOM 1808 H HIS B 48 58.319 61.232 -17.600 1.00 0.00 H ATOM 1809 N GLU B 49 56.249 58.022 -15.873 1.00 14.04 N ATOM 1810 CA GLU B 49 56.514 57.139 -14.778 1.00 15.86 C ATOM 1811 C GLU B 49 57.703 56.168 -15.008 1.00 17.08 C ATOM 1812 O GLU B 49 58.524 55.975 -14.120 1.00 17.80 O ATOM 1813 CB GLU B 49 55.231 56.328 -14.507 1.00 16.98 C ATOM 1814 CG GLU B 49 55.399 55.439 -13.269 1.00 20.32 C ATOM 1815 CD GLU B 49 54.118 54.676 -12.935 1.00 25.04 C ATOM 1816 OE1 GLU B 49 53.126 54.814 -13.672 1.00 24.71 O ATOM 1817 OE2 GLU B 49 54.159 53.904 -11.963 1.00 27.26 O ATOM 1818 H GLU B 49 55.365 57.905 -16.409 1.00 0.00 H ATOM 1819 N PHE B 50 57.794 55.579 -16.196 1.00 16.57 N ATOM 1820 CA PHE B 50 58.800 54.516 -16.419 1.00 16.14 C ATOM 1821 C PHE B 50 59.971 55.008 -17.279 1.00 16.60 C ATOM 1822 O PHE B 50 59.778 55.709 -18.266 1.00 16.93 O ATOM 1823 CB PHE B 50 58.160 53.306 -17.070 1.00 16.17 C ATOM 1824 CG PHE B 50 56.963 52.816 -16.332 1.00 19.83 C ATOM 1825 CD1 PHE B 50 57.079 52.330 -15.058 1.00 20.67 C ATOM 1826 CD2 PHE B 50 55.681 52.865 -16.940 1.00 24.05 C ATOM 1827 CE1 PHE B 50 55.941 51.908 -14.346 1.00 23.33 C ATOM 1828 CE2 PHE B 50 54.547 52.397 -16.245 1.00 23.77 C ATOM 1829 CZ PHE B 50 54.695 51.948 -14.944 1.00 23.35 C ATOM 1830 H PHE B 50 57.159 55.865 -16.968 1.00 0.00 H ATOM 1831 N GLY B 51 61.176 54.575 -16.937 1.00 17.31 N ATOM 1832 CA GLY B 51 62.398 54.907 -17.695 1.00 15.15 C ATOM 1833 C GLY B 51 62.574 53.764 -18.713 1.00 19.52 C ATOM 1834 O GLY B 51 63.634 53.142 -18.796 1.00 17.45 O ATOM 1835 H GLY B 51 61.265 53.972 -16.094 1.00 0.00 H ATOM 1836 N ASP B 52 61.529 53.484 -19.470 1.00 19.42 N ATOM 1837 CA ASP B 52 61.460 52.293 -20.400 1.00 18.10 C ATOM 1838 C ASP B 52 61.261 52.875 -21.800 1.00 19.08 C ATOM 1839 O ASP B 52 60.180 53.411 -22.136 1.00 20.62 O ATOM 1840 CB ASP B 52 60.261 51.416 -20.010 1.00 19.62 C ATOM 1841 CG ASP B 52 60.097 50.191 -20.918 1.00 20.90 C ATOM 1842 OD1 ASP B 52 60.574 50.201 -22.068 1.00 20.91 O ATOM 1843 OD2 ASP B 52 59.496 49.237 -20.444 1.00 22.87 O ATOM 1844 H ASP B 52 60.706 54.119 -19.424 1.00 0.00 H ATOM 1845 N ASN B 53 62.301 52.790 -22.606 1.00 18.27 N ATOM 1846 CA ASN B 53 62.296 53.261 -23.992 1.00 22.22 C ATOM 1847 C ASN B 53 62.210 52.100 -24.994 1.00 22.21 C ATOM 1848 O ASN B 53 62.525 52.300 -26.170 1.00 22.73 O ATOM 1849 CB ASN B 53 63.608 54.033 -24.298 1.00 26.60 C ATOM 1850 CG ASN B 53 63.499 54.888 -25.558 1.00 35.13 C ATOM 1851 OD1 ASN B 53 62.462 55.528 -25.782 1.00 41.20 O ATOM 1852 ND2 ASN B 53 64.557 54.881 -26.414 1.00 36.47 N ATOM 1853 HD22 ASN B 53 65.408 54.329 -26.185 1.00 0.00 H ATOM 1854 HD21 ASN B 53 64.515 55.428 -27.298 1.00 0.00 H ATOM 1855 H ASN B 53 63.175 52.364 -22.236 1.00 0.00 H ATOM 1856 N THR B 54 61.801 50.928 -24.535 1.00 20.49 N ATOM 1857 CA THR B 54 61.828 49.737 -25.413 1.00 23.28 C ATOM 1858 C THR B 54 60.898 49.918 -26.616 1.00 28.48 C ATOM 1859 O THR B 54 61.224 49.486 -27.700 1.00 26.92 O ATOM 1860 CB THR B 54 61.475 48.450 -24.720 1.00 23.33 C ATOM 1861 OG1 THR B 54 60.236 48.604 -24.041 1.00 23.14 O ATOM 1862 CG2 THR B 54 62.537 48.074 -23.696 1.00 22.34 C ATOM 1863 HG1 THR B 54 60.316 49.329 -23.372 1.00 0.00 H ATOM 1864 H THR B 54 61.460 50.844 -23.556 1.00 0.00 H ATOM 1865 N ALA B 55 59.775 50.596 -26.464 1.00 24.59 N ATOM 1866 CA ALA B 55 59.006 50.923 -27.665 1.00 27.93 C ATOM 1867 C ALA B 55 58.994 52.423 -27.893 1.00 28.21 C ATOM 1868 O ALA B 55 57.973 53.003 -28.179 1.00 33.84 O ATOM 1869 CB ALA B 55 57.594 50.355 -27.536 1.00 30.37 C ATOM 1870 H ALA B 55 59.448 50.888 -25.521 1.00 0.00 H ATOM 1871 N GLY B 56 60.128 53.072 -27.707 1.00 24.85 N ATOM 1872 CA GLY B 56 60.202 54.523 -27.925 1.00 25.35 C ATOM 1873 C GLY B 56 59.504 55.225 -26.765 1.00 23.34 C ATOM 1874 O GLY B 56 59.361 54.659 -25.657 1.00 23.00 O ATOM 1875 H GLY B 56 60.976 52.552 -27.404 1.00 0.00 H ATOM 1876 N CYS B 57 58.994 56.425 -27.026 1.00 22.89 N ATOM 1877 CA CYS B 57 58.416 57.249 -25.918 1.00 22.58 C ATOM 1878 C CYS B 57 57.149 56.642 -25.328 1.00 21.93 C ATOM 1879 O CYS B 57 56.788 56.918 -24.168 1.00 18.24 O ATOM 1880 CB CYS B 57 58.196 58.685 -26.444 1.00 25.82 C ATOM 1881 SG CYS B 57 59.802 59.478 -26.889 1.00 31.01 S ATOM 1882 H CYS B 57 58.997 56.791 -28.000 1.00 0.00 H ATOM 1883 N THR B 58 56.425 55.850 -26.132 1.00 19.33 N ATOM 1884 CA THR B 58 55.194 55.212 -25.665 1.00 22.50 C ATOM 1885 C THR B 58 55.349 54.346 -24.448 1.00 19.64 C ATOM 1886 O THR B 58 54.466 54.319 -23.569 1.00 20.45 O ATOM 1887 CB THR B 58 54.572 54.338 -26.771 1.00 25.86 C ATOM 1888 OG1 THR B 58 54.431 55.161 -27.893 1.00 29.14 O ATOM 1889 CG2 THR B 58 53.181 53.853 -26.328 1.00 28.58 C ATOM 1890 HG1 THR B 58 53.841 55.924 -27.669 1.00 0.00 H ATOM 1891 H THR B 58 56.745 55.686 -27.108 1.00 0.00 H ATOM 1892 N SER B 59 56.480 53.634 -24.340 1.00 19.24 N ATOM 1893 CA SER B 59 56.667 52.731 -23.203 1.00 17.48 C ATOM 1894 C SER B 59 56.977 53.460 -21.894 1.00 17.20 C ATOM 1895 O SER B 59 57.020 52.837 -20.833 1.00 17.49 O ATOM 1896 CB SER B 59 57.756 51.676 -23.495 1.00 17.29 C ATOM 1897 OG SER B 59 58.813 52.239 -24.255 1.00 15.27 O ATOM 1898 HG SER B 59 59.220 52.986 -23.749 1.00 0.00 H ATOM 1899 H SER B 59 57.223 53.723 -25.062 1.00 0.00 H ATOM 1900 N ALA B 60 57.206 54.772 -21.953 1.00 16.88 N ATOM 1901 CA ALA B 60 57.388 55.522 -20.672 1.00 17.58 C ATOM 1902 C ALA B 60 56.109 55.582 -19.809 1.00 17.90 C ATOM 1903 O ALA B 60 56.155 55.996 -18.657 1.00 15.91 O ATOM 1904 CB ALA B 60 57.860 56.955 -20.967 1.00 15.79 C ATOM 1905 H ALA B 60 57.257 55.263 -22.869 1.00 0.00 H ATOM 1906 N GLY B 61 54.955 55.196 -20.349 1.00 19.70 N ATOM 1907 CA GLY B 61 53.757 55.157 -19.477 1.00 18.00 C ATOM 1908 C GLY B 61 53.162 56.582 -19.268 1.00 17.56 C ATOM 1909 O GLY B 61 53.468 57.490 -20.023 1.00 16.98 O ATOM 1910 H GLY B 61 54.896 54.930 -21.353 1.00 0.00 H ATOM 1911 N PRO B 62 52.335 56.759 -18.228 1.00 18.60 N ATOM 1912 CA PRO B 62 51.610 58.036 -18.060 1.00 18.61 C ATOM 1913 C PRO B 62 52.494 59.029 -17.297 1.00 16.97 C ATOM 1914 O PRO B 62 53.645 58.690 -16.957 1.00 16.25 O ATOM 1915 CB PRO B 62 50.406 57.622 -17.202 1.00 19.12 C ATOM 1916 CG PRO B 62 50.953 56.533 -16.339 1.00 20.24 C ATOM 1917 CD PRO B 62 51.949 55.766 -17.208 1.00 19.34 C ATOM 1918 N HIS B 63 51.972 60.212 -16.999 1.00 17.46 N ATOM 1919 CA HIS B 63 52.718 61.167 -16.153 1.00 18.41 C ATOM 1920 C HIS B 63 53.036 60.511 -14.826 1.00 19.10 C ATOM 1921 O HIS B 63 52.223 59.752 -14.289 1.00 17.18 O ATOM 1922 CB HIS B 63 51.928 62.456 -15.891 1.00 18.27 C ATOM 1923 CG HIS B 63 51.681 63.221 -17.142 1.00 19.04 C ATOM 1924 ND1 HIS B 63 50.898 64.346 -17.193 1.00 17.88 N ATOM 1925 CD2 HIS B 63 52.113 63.006 -18.414 1.00 19.84 C ATOM 1926 CE1 HIS B 63 50.861 64.812 -18.430 1.00 18.69 C ATOM 1927 NE2 HIS B 63 51.565 63.997 -19.201 1.00 20.13 N ATOM 1928 H HIS B 63 51.032 60.469 -17.363 1.00 0.00 H ATOM 1929 N PHE B 64 54.225 60.791 -14.319 1.00 15.58 N ATOM 1930 CA PHE B 64 54.612 60.237 -13.018 1.00 16.54 C ATOM 1931 C PHE B 64 53.673 60.807 -11.937 1.00 16.14 C ATOM 1932 O PHE B 64 53.593 61.987 -11.773 1.00 14.98 O ATOM 1933 CB PHE B 64 56.064 60.627 -12.750 1.00 15.09 C ATOM 1934 CG PHE B 64 56.586 60.154 -11.421 1.00 16.37 C ATOM 1935 CD1 PHE B 64 56.275 58.902 -10.935 1.00 16.80 C ATOM 1936 CD2 PHE B 64 57.376 60.995 -10.668 1.00 17.27 C ATOM 1937 CE1 PHE B 64 56.786 58.464 -9.683 1.00 17.78 C ATOM 1938 CE2 PHE B 64 57.897 60.586 -9.424 1.00 21.15 C ATOM 1939 CZ PHE B 64 57.595 59.307 -8.948 1.00 18.04 C ATOM 1940 H PHE B 64 54.884 61.403 -14.842 1.00 0.00 H ATOM 1941 N ASN B 65 52.941 59.954 -11.227 1.00 16.22 N ATOM 1942 CA ASN B 65 51.804 60.438 -10.404 1.00 17.88 C ATOM 1943 C ASN B 65 51.645 59.549 -9.156 1.00 18.70 C ATOM 1944 O ASN B 65 50.621 58.883 -8.994 1.00 20.19 O ATOM 1945 CB ASN B 65 50.549 60.456 -11.271 1.00 19.34 C ATOM 1946 CG ASN B 65 49.289 60.957 -10.531 1.00 20.18 C ATOM 1947 OD1 ASN B 65 49.349 61.705 -9.541 1.00 19.78 O ATOM 1948 ND2 ASN B 65 48.132 60.518 -11.029 1.00 21.84 N ATOM 1949 HD22 ASN B 65 48.127 59.893 -11.860 1.00 0.00 H ATOM 1950 HD21 ASN B 65 47.235 60.801 -10.586 1.00 0.00 H ATOM 1951 H ASN B 65 53.167 58.939 -11.248 1.00 0.00 H ATOM 1952 N PRO B 66 52.671 59.506 -8.310 1.00 20.01 N ATOM 1953 CA PRO B 66 52.598 58.516 -7.246 1.00 23.98 C ATOM 1954 C PRO B 66 51.538 58.875 -6.167 1.00 27.28 C ATOM 1955 O PRO B 66 51.196 58.045 -5.345 1.00 25.59 O ATOM 1956 CB PRO B 66 53.985 58.586 -6.622 1.00 21.76 C ATOM 1957 CG PRO B 66 54.459 59.996 -6.890 1.00 22.62 C ATOM 1958 CD PRO B 66 53.938 60.260 -8.274 1.00 20.27 C ATOM 1959 N LEU B 67 51.008 60.087 -6.213 1.00 28.34 N ATOM 1960 CA LEU B 67 49.960 60.483 -5.268 1.00 26.34 C ATOM 1961 C LEU B 67 48.581 60.391 -5.878 1.00 26.81 C ATOM 1962 O LEU B 67 47.608 60.832 -5.255 1.00 28.35 O ATOM 1963 CB LEU B 67 50.236 61.883 -4.751 1.00 27.26 C ATOM 1964 CG LEU B 67 51.488 61.917 -3.874 1.00 32.43 C ATOM 1965 CD1 LEU B 67 51.850 63.392 -3.641 1.00 33.99 C ATOM 1966 CD2 LEU B 67 51.243 61.138 -2.573 1.00 36.39 C ATOM 1967 H LEU B 67 51.339 60.766 -6.928 1.00 0.00 H ATOM 1968 N SER B 68 48.480 59.841 -7.093 1.00 23.31 N ATOM 1969 CA SER B 68 47.201 59.638 -7.793 1.00 25.35 C ATOM 1970 C SER B 68 46.325 60.880 -7.753 1.00 27.90 C ATOM 1971 O SER B 68 45.144 60.813 -7.372 1.00 27.36 O ATOM 1972 CB SER B 68 46.401 58.418 -7.235 1.00 27.32 C ATOM 1973 OG SER B 68 47.218 57.251 -7.345 1.00 33.62 O ATOM 1974 HG SER B 68 48.048 57.380 -6.821 1.00 0.00 H ATOM 1975 H SER B 68 49.354 59.540 -7.570 1.00 0.00 H ATOM 1976 N ARG B 69 46.904 62.005 -8.147 1.00 22.81 N ATOM 1977 CA ARG B 69 46.176 63.242 -8.308 1.00 22.91 C ATOM 1978 C ARG B 69 45.731 63.445 -9.739 1.00 22.13 C ATOM 1979 O ARG B 69 46.063 62.651 -10.626 1.00 24.30 O ATOM 1980 CB ARG B 69 47.068 64.404 -7.864 1.00 23.01 C ATOM 1981 CG ARG B 69 47.576 64.217 -6.455 1.00 26.37 C ATOM 1982 CD ARG B 69 46.569 64.588 -5.376 1.00 32.12 C ATOM 1983 NE ARG B 69 47.260 64.528 -4.078 1.00 39.24 N ATOM 1984 CZ ARG B 69 46.995 63.630 -3.110 1.00 40.52 C ATOM 1985 NH1 ARG B 69 46.017 62.744 -3.271 1.00 37.59 N ATOM 1986 NH2 ARG B 69 47.723 63.599 -1.978 1.00 36.69 N ATOM 1987 HE ARG B 69 48.006 65.229 -3.895 1.00 0.00 H ATOM 1988 HH12 ARG B 69 45.814 62.051 -2.522 1.00 0.00 H ATOM 1989 HH11 ARG B 69 45.455 62.743 -4.146 1.00 0.00 H ATOM 1990 HH22 ARG B 69 47.506 62.900 -1.239 1.00 0.00 H ATOM 1991 HH21 ARG B 69 48.502 64.274 -1.842 1.00 0.00 H ATOM 1992 H ARG B 69 47.924 61.997 -8.349 1.00 0.00 H ATOM 1993 N LYS B 70 44.964 64.507 -9.974 1.00 20.53 N ATOM 1994 CA LYS B 70 44.609 64.914 -11.317 1.00 21.24 C ATOM 1995 C LYS B 70 45.730 65.759 -11.892 1.00 18.88 C ATOM 1996 O LYS B 70 46.498 66.372 -11.115 1.00 17.57 O ATOM 1997 CB LYS B 70 43.344 65.812 -11.286 1.00 25.16 C ATOM 1998 CG LYS B 70 42.102 65.108 -10.780 1.00 34.51 C ATOM 1999 CD LYS B 70 41.372 64.459 -11.919 1.00 41.64 C ATOM 2000 CE LYS B 70 41.371 62.934 -11.812 1.00 51.97 C ATOM 2001 NZ LYS B 70 40.072 62.485 -11.210 1.00 55.71 N ATOM 2002 HZ1 LYS B 70 39.967 62.903 -10.263 1.00 0.00 H ATOM 2003 HZ2 LYS B 70 39.285 62.794 -11.816 1.00 0.00 H ATOM 2004 HZ3 LYS B 70 40.066 61.448 -11.135 1.00 0.00 H ATOM 2005 H LYS B 70 44.609 65.061 -9.169 1.00 0.00 H ATOM 2006 N HIS B 71 45.795 65.809 -13.233 1.00 18.24 N ATOM 2007 CA HIS B 71 46.763 66.631 -13.962 1.00 20.15 C ATOM 2008 C HIS B 71 46.566 68.133 -13.663 1.00 20.40 C ATOM 2009 O HIS B 71 45.416 68.615 -13.596 1.00 18.61 O ATOM 2010 CB HIS B 71 46.634 66.376 -15.484 1.00 19.42 C ATOM 2011 CG HIS B 71 47.586 67.206 -16.310 1.00 18.31 C ATOM 2012 ND1 HIS B 71 48.932 66.934 -16.393 1.00 18.68 N ATOM 2013 CD2 HIS B 71 47.396 68.344 -17.019 1.00 16.39 C ATOM 2014 CE1 HIS B 71 49.528 67.854 -17.132 1.00 15.71 C ATOM 2015 NE2 HIS B 71 48.605 68.699 -17.549 1.00 16.84 N ATOM 2016 H HIS B 71 45.123 65.235 -13.781 1.00 0.00 H ATOM 2017 N GLY B 72 47.654 68.869 -13.454 1.00 16.83 N ATOM 2018 CA GLY B 72 47.564 70.325 -13.322 1.00 17.07 C ATOM 2019 C GLY B 72 48.797 70.993 -13.846 1.00 18.99 C ATOM 2020 O GLY B 72 49.620 70.337 -14.530 1.00 16.24 O ATOM 2021 H GLY B 72 48.582 68.404 -13.383 1.00 0.00 H ATOM 2022 N GLY B 73 48.928 72.296 -13.599 1.00 16.82 N ATOM 2023 CA GLY B 73 50.150 72.956 -14.002 1.00 16.23 C ATOM 2024 C GLY B 73 51.060 72.930 -12.794 1.00 17.10 C ATOM 2025 O GLY B 73 50.608 72.607 -11.684 1.00 17.32 O ATOM 2026 H GLY B 73 48.168 72.826 -13.127 1.00 0.00 H ATOM 2027 N PRO B 74 52.339 73.296 -12.987 1.00 16.99 N ATOM 2028 CA PRO B 74 53.314 73.118 -11.911 1.00 18.16 C ATOM 2029 C PRO B 74 53.015 73.990 -10.678 1.00 20.53 C ATOM 2030 O PRO B 74 53.411 73.634 -9.579 1.00 18.78 O ATOM 2031 CB PRO B 74 54.649 73.560 -12.558 1.00 17.39 C ATOM 2032 CG PRO B 74 54.277 74.347 -13.793 1.00 17.60 C ATOM 2033 CD PRO B 74 52.953 73.770 -14.238 1.00 17.04 C ATOM 2034 N LYS B 75 52.327 75.114 -10.870 1.00 19.07 N ATOM 2035 CA LYS B 75 51.951 75.983 -9.727 1.00 20.32 C ATOM 2036 C LYS B 75 50.750 75.455 -8.921 1.00 21.28 C ATOM 2037 O LYS B 75 50.399 76.003 -7.857 1.00 22.42 O ATOM 2038 CB LYS B 75 51.627 77.391 -10.250 1.00 24.66 C ATOM 2039 CG LYS B 75 52.822 78.064 -10.901 1.00 30.87 C ATOM 2040 CD LYS B 75 52.345 79.168 -11.881 1.00 35.63 C ATOM 2041 CE LYS B 75 51.751 80.370 -11.136 1.00 37.41 C ATOM 2042 NZ LYS B 75 51.806 81.657 -11.916 1.00 36.04 N ATOM 2043 HZ1 LYS B 75 52.797 81.887 -12.134 1.00 0.00 H ATOM 2044 HZ2 LYS B 75 51.272 81.547 -12.802 1.00 0.00 H ATOM 2045 HZ3 LYS B 75 51.388 82.422 -11.350 1.00 0.00 H ATOM 2046 H LYS B 75 52.049 75.387 -11.834 1.00 0.00 H ATOM 2047 N ASP B 76 50.063 74.458 -9.427 1.00 18.67 N ATOM 2048 CA ASP B 76 48.872 73.910 -8.738 1.00 21.67 C ATOM 2049 C ASP B 76 49.167 72.982 -7.596 1.00 23.62 C ATOM 2050 O ASP B 76 50.056 72.152 -7.681 1.00 22.91 O ATOM 2051 CB ASP B 76 48.028 73.138 -9.740 1.00 22.13 C ATOM 2052 CG ASP B 76 47.372 74.039 -10.742 1.00 25.97 C ATOM 2053 OD1 ASP B 76 47.051 75.210 -10.362 1.00 27.14 O ATOM 2054 OD2 ASP B 76 47.138 73.601 -11.901 1.00 25.46 O ATOM 2055 H ASP B 76 50.362 74.043 -10.333 1.00 0.00 H ATOM 2056 N GLU B 77 48.362 73.051 -6.546 1.00 26.33 N ATOM 2057 CA GLU B 77 48.431 72.029 -5.512 1.00 25.86 C ATOM 2058 C GLU B 77 47.962 70.686 -6.043 1.00 25.58 C ATOM 2059 O GLU B 77 48.624 69.651 -5.774 1.00 25.11 O ATOM 2060 CB GLU B 77 47.642 72.417 -4.242 1.00 33.98 C ATOM 2061 CG GLU B 77 47.754 71.338 -3.152 1.00 41.98 C ATOM 2062 CD GLU B 77 46.853 71.586 -1.932 1.00 57.18 C ATOM 2063 OE1 GLU B 77 46.209 72.659 -1.852 1.00 59.60 O ATOM 2064 OE2 GLU B 77 46.778 70.694 -1.045 1.00 62.27 O ATOM 2065 H GLU B 77 47.682 73.834 -6.461 1.00 0.00 H ATOM 2066 N GLU B 78 46.916 70.682 -6.870 1.00 21.07 N ATOM 2067 CA GLU B 78 46.470 69.418 -7.487 1.00 22.20 C ATOM 2068 C GLU B 78 47.202 69.234 -8.815 1.00 17.77 C ATOM 2069 O GLU B 78 46.909 69.921 -9.777 1.00 16.83 O ATOM 2070 CB GLU B 78 44.954 69.431 -7.749 1.00 21.08 C ATOM 2071 CG GLU B 78 44.415 68.136 -8.339 1.00 26.18 C ATOM 2072 CD GLU B 78 44.204 67.023 -7.334 1.00 28.95 C ATOM 2073 OE1 GLU B 78 44.271 67.297 -6.107 1.00 35.63 O ATOM 2074 OE2 GLU B 78 43.899 65.879 -7.749 1.00 29.01 O ATOM 2075 H GLU B 78 46.415 71.569 -7.080 1.00 0.00 H ATOM 2076 N ARG B 79 48.185 68.355 -8.836 1.00 17.55 N ATOM 2077 CA ARG B 79 49.006 68.145 -10.043 1.00 15.51 C ATOM 2078 C ARG B 79 49.665 66.781 -9.874 1.00 17.32 C ATOM 2079 O ARG B 79 49.775 66.226 -8.755 1.00 18.62 O ATOM 2080 CB ARG B 79 50.136 69.214 -10.217 1.00 16.77 C ATOM 2081 CG ARG B 79 51.071 69.328 -8.993 1.00 16.70 C ATOM 2082 CD ARG B 79 52.260 70.229 -9.261 1.00 17.45 C ATOM 2083 NE ARG B 79 53.369 69.454 -9.891 1.00 16.34 N ATOM 2084 CZ ARG B 79 54.621 69.901 -9.999 1.00 17.03 C ATOM 2085 NH1 ARG B 79 54.912 71.159 -9.642 1.00 15.64 N ATOM 2086 NH2 ARG B 79 55.600 69.104 -10.508 1.00 14.84 N ATOM 2087 HE ARG B 79 53.153 68.509 -10.268 1.00 0.00 H ATOM 2088 HH12 ARG B 79 55.887 71.511 -9.725 1.00 0.00 H ATOM 2089 HH11 ARG B 79 54.163 71.784 -9.282 1.00 0.00 H ATOM 2090 HH22 ARG B 79 56.573 69.462 -10.588 1.00 0.00 H ATOM 2091 HH21 ARG B 79 55.375 68.137 -10.817 1.00 0.00 H ATOM 2092 H ARG B 79 48.386 67.797 -7.982 1.00 0.00 H ATOM 2093 N HIS B 80 50.126 66.258 -10.975 1.00 14.57 N ATOM 2094 CA HIS B 80 51.018 65.089 -10.897 1.00 15.35 C ATOM 2095 C HIS B 80 52.395 65.564 -10.465 1.00 14.07 C ATOM 2096 O HIS B 80 52.800 66.682 -10.790 1.00 13.71 O ATOM 2097 CB HIS B 80 51.103 64.424 -12.278 1.00 14.29 C ATOM 2098 CG HIS B 80 49.766 63.976 -12.843 1.00 16.22 C ATOM 2099 ND1 HIS B 80 49.500 63.971 -14.187 1.00 15.97 N ATOM 2100 CD2 HIS B 80 48.640 63.502 -12.242 1.00 17.47 C ATOM 2101 CE1 HIS B 80 48.285 63.479 -14.411 1.00 18.29 C ATOM 2102 NE2 HIS B 80 47.750 63.173 -13.241 1.00 16.69 N ATOM 2103 H HIS B 80 49.867 66.661 -11.898 1.00 0.00 H ATOM 2104 N VAL B 81 53.163 64.703 -9.792 1.00 14.83 N ATOM 2105 CA VAL B 81 54.597 65.042 -9.545 1.00 14.19 C ATOM 2106 C VAL B 81 55.306 65.411 -10.872 1.00 13.77 C ATOM 2107 O VAL B 81 56.068 66.384 -10.921 1.00 16.12 O ATOM 2108 CB VAL B 81 55.347 63.855 -8.873 1.00 15.96 C ATOM 2109 CG1 VAL B 81 56.853 64.194 -8.835 1.00 15.45 C ATOM 2110 CG2 VAL B 81 54.846 63.701 -7.410 1.00 15.42 C ATOM 2111 H VAL B 81 52.767 63.807 -9.444 1.00 0.00 H ATOM 2112 N GLY B 82 54.988 64.703 -11.943 1.00 14.44 N ATOM 2113 CA GLY B 82 55.651 64.920 -13.269 1.00 14.68 C ATOM 2114 C GLY B 82 55.177 66.128 -14.062 1.00 15.37 C ATOM 2115 O GLY B 82 55.626 66.344 -15.187 1.00 14.67 O ATOM 2116 H GLY B 82 54.253 63.971 -11.862 1.00 0.00 H ATOM 2117 N ASP B 83 54.276 66.945 -13.485 1.00 15.27 N ATOM 2118 CA ASP B 83 53.660 68.053 -14.245 1.00 14.06 C ATOM 2119 C ASP B 83 54.546 69.296 -14.229 1.00 16.12 C ATOM 2120 O ASP B 83 54.374 70.192 -13.385 1.00 17.18 O ATOM 2121 CB ASP B 83 52.256 68.386 -13.665 1.00 15.46 C ATOM 2122 CG ASP B 83 51.237 67.355 -14.058 1.00 15.99 C ATOM 2123 OD1 ASP B 83 51.542 66.505 -14.958 1.00 16.91 O ATOM 2124 OD2 ASP B 83 50.134 67.338 -13.479 1.00 16.18 O ATOM 2125 H ASP B 83 54.010 66.795 -12.491 1.00 0.00 H ATOM 2126 N LEU B 84 55.472 69.406 -15.197 1.00 14.59 N ATOM 2127 CA LEU B 84 56.309 70.548 -15.202 1.00 15.35 C ATOM 2128 C LEU B 84 55.752 71.654 -16.141 1.00 15.74 C ATOM 2129 O LEU B 84 56.461 72.623 -16.398 1.00 18.47 O ATOM 2130 CB LEU B 84 57.757 70.172 -15.642 1.00 14.82 C ATOM 2131 CG LEU B 84 58.400 69.122 -14.714 1.00 17.46 C ATOM 2132 CD1 LEU B 84 59.796 68.808 -15.214 1.00 17.52 C ATOM 2133 CD2 LEU B 84 58.483 69.752 -13.326 1.00 20.13 C ATOM 2134 H LEU B 84 55.571 68.670 -15.925 1.00 0.00 H ATOM 2135 N GLY B 85 54.556 71.502 -16.717 1.00 15.24 N ATOM 2136 CA GLY B 85 53.938 72.619 -17.448 1.00 14.45 C ATOM 2137 C GLY B 85 54.406 72.627 -18.897 1.00 15.50 C ATOM 2138 O GLY B 85 54.555 71.561 -19.504 1.00 15.40 O ATOM 2139 H GLY B 85 54.060 70.590 -16.648 1.00 0.00 H ATOM 2140 N ASN B 86 54.657 73.813 -19.441 1.00 14.15 N ATOM 2141 CA ASN B 86 55.114 73.934 -20.798 1.00 15.42 C ATOM 2142 C ASN B 86 56.516 74.503 -20.869 1.00 14.86 C ATOM 2143 O ASN B 86 56.988 75.146 -19.900 1.00 15.41 O ATOM 2144 CB ASN B 86 54.219 74.945 -21.543 1.00 15.41 C ATOM 2145 CG ASN B 86 52.831 74.362 -21.804 1.00 17.38 C ATOM 2146 OD1 ASN B 86 52.731 73.339 -22.482 1.00 16.66 O ATOM 2147 ND2 ASN B 86 51.768 74.979 -21.219 1.00 15.64 N ATOM 2148 HD22 ASN B 86 51.912 75.842 -20.657 1.00 0.00 H ATOM 2149 HD21 ASN B 86 50.811 74.588 -21.334 1.00 0.00 H ATOM 2150 H ASN B 86 54.520 74.673 -18.872 1.00 0.00 H ATOM 2151 N VAL B 87 57.139 74.284 -22.023 1.00 14.53 N ATOM 2152 CA VAL B 87 58.359 75.016 -22.393 1.00 15.82 C ATOM 2153 C VAL B 87 58.065 75.710 -23.707 1.00 16.27 C ATOM 2154 O VAL B 87 57.279 75.215 -24.505 1.00 16.67 O ATOM 2155 CB VAL B 87 59.600 74.099 -22.515 1.00 15.78 C ATOM 2156 CG1 VAL B 87 59.923 73.476 -21.122 1.00 16.16 C ATOM 2157 CG2 VAL B 87 59.358 72.923 -23.486 1.00 15.63 C ATOM 2158 H VAL B 87 56.753 73.577 -22.681 1.00 0.00 H ATOM 2159 N THR B 88 58.779 76.795 -23.971 1.00 15.55 N ATOM 2160 CA THR B 88 58.447 77.618 -25.139 1.00 17.20 C ATOM 2161 C THR B 88 59.630 77.561 -26.104 1.00 18.00 C ATOM 2162 O THR B 88 60.744 77.883 -25.712 1.00 16.47 O ATOM 2163 CB THR B 88 58.238 79.101 -24.710 1.00 17.06 C ATOM 2164 OG1 THR B 88 57.072 79.151 -23.877 1.00 16.38 O ATOM 2165 CG2 THR B 88 58.019 80.080 -25.933 1.00 19.97 C ATOM 2166 HG1 THR B 88 56.914 80.085 -23.588 1.00 0.00 H ATOM 2167 H THR B 88 59.571 77.062 -23.353 1.00 0.00 H ATOM 2168 N ALA B 89 59.351 77.195 -27.359 1.00 16.65 N ATOM 2169 CA ALA B 89 60.333 77.269 -28.422 1.00 17.93 C ATOM 2170 C ALA B 89 60.189 78.624 -29.144 1.00 19.04 C ATOM 2171 O ALA B 89 59.094 79.096 -29.383 1.00 18.73 O ATOM 2172 CB ALA B 89 60.128 76.128 -29.432 1.00 17.43 C ATOM 2173 H ALA B 89 58.397 76.845 -27.580 1.00 0.00 H ATOM 2174 N ASP B 90 61.320 79.211 -29.457 1.00 20.47 N ATOM 2175 CA ASP B 90 61.401 80.493 -30.176 1.00 23.33 C ATOM 2176 C ASP B 90 61.223 80.255 -31.694 1.00 23.47 C ATOM 2177 O ASP B 90 60.953 79.129 -32.164 1.00 18.88 O ATOM 2178 CB ASP B 90 62.735 81.186 -29.827 1.00 24.12 C ATOM 2179 CG ASP B 90 63.981 80.478 -30.425 1.00 27.71 C ATOM 2180 OD1 ASP B 90 63.866 79.615 -31.335 1.00 24.56 O ATOM 2181 OD2 ASP B 90 65.094 80.797 -29.934 1.00 25.81 O ATOM 2182 H ASP B 90 62.208 78.745 -29.182 1.00 0.00 H ATOM 2183 N LYS B 91 61.346 81.321 -32.482 1.00 24.15 N ATOM 2184 CA LYS B 91 61.000 81.223 -33.902 1.00 28.99 C ATOM 2185 C LYS B 91 61.991 80.346 -34.633 1.00 26.31 C ATOM 2186 O LYS B 91 61.668 79.847 -35.703 1.00 28.80 O ATOM 2187 CB LYS B 91 60.919 82.635 -34.560 1.00 29.34 C ATOM 2188 CG LYS B 91 62.284 83.302 -34.653 1.00 38.40 C ATOM 2189 CD LYS B 91 62.152 84.823 -34.462 1.00 49.76 C ATOM 2190 CE LYS B 91 63.517 85.473 -34.564 1.00 52.07 C ATOM 2191 NZ LYS B 91 64.012 85.165 -35.939 1.00 57.45 N ATOM 2192 HZ1 LYS B 91 64.074 84.134 -36.061 1.00 0.00 H ATOM 2193 HZ2 LYS B 91 63.352 85.559 -36.640 1.00 0.00 H ATOM 2194 HZ3 LYS B 91 64.953 85.588 -36.070 1.00 0.00 H ATOM 2195 H LYS B 91 61.687 82.222 -32.090 1.00 0.00 H ATOM 2196 N ASP B 92 63.173 80.103 -34.049 1.00 23.99 N ATOM 2197 CA ASP B 92 64.123 79.123 -34.637 1.00 25.50 C ATOM 2198 C ASP B 92 63.928 77.691 -34.155 1.00 27.07 C ATOM 2199 O ASP B 92 64.736 76.812 -34.490 1.00 25.46 O ATOM 2200 CB ASP B 92 65.580 79.527 -34.323 1.00 29.12 C ATOM 2201 CG ASP B 92 65.904 80.941 -34.867 1.00 34.84 C ATOM 2202 OD1 ASP B 92 65.389 81.297 -35.942 1.00 35.83 O ATOM 2203 OD2 ASP B 92 66.555 81.710 -34.167 1.00 37.25 O ATOM 2204 H ASP B 92 63.428 80.606 -33.175 1.00 0.00 H ATOM 2205 N GLY B 93 62.872 77.441 -33.366 1.00 23.77 N ATOM 2206 CA GLY B 93 62.565 76.050 -33.007 1.00 19.00 C ATOM 2207 C GLY B 93 63.324 75.604 -31.733 1.00 18.39 C ATOM 2208 O GLY B 93 63.331 74.400 -31.399 1.00 17.91 O ATOM 2209 H GLY B 93 62.280 78.220 -33.014 1.00 0.00 H ATOM 2210 N VAL B 94 63.891 76.577 -31.002 1.00 17.75 N ATOM 2211 CA VAL B 94 64.743 76.326 -29.831 1.00 18.58 C ATOM 2212 C VAL B 94 64.039 76.686 -28.515 1.00 17.99 C ATOM 2213 O VAL B 94 63.585 77.818 -28.358 1.00 19.85 O ATOM 2214 CB VAL B 94 66.070 77.092 -29.899 1.00 19.64 C ATOM 2215 CG1 VAL B 94 66.883 76.873 -28.620 1.00 19.86 C ATOM 2216 CG2 VAL B 94 66.875 76.581 -31.090 1.00 21.65 C ATOM 2217 H VAL B 94 63.718 77.564 -31.280 1.00 0.00 H ATOM 2218 N ALA B 95 63.961 75.714 -27.586 1.00 16.70 N ATOM 2219 CA ALA B 95 63.452 75.975 -26.225 1.00 17.06 C ATOM 2220 C ALA B 95 64.659 76.043 -25.302 1.00 17.30 C ATOM 2221 O ALA B 95 65.317 75.014 -25.076 1.00 18.58 O ATOM 2222 CB ALA B 95 62.473 74.867 -25.769 1.00 17.96 C ATOM 2223 H ALA B 95 64.268 74.752 -27.835 1.00 0.00 H ATOM 2224 N ASP B 96 64.950 77.237 -24.763 1.00 18.04 N ATOM 2225 CA ASP B 96 65.996 77.399 -23.731 1.00 19.55 C ATOM 2226 C ASP B 96 65.307 77.245 -22.383 1.00 17.98 C ATOM 2227 O ASP B 96 64.865 78.218 -21.762 1.00 18.19 O ATOM 2228 CB ASP B 96 66.686 78.758 -23.873 1.00 21.36 C ATOM 2229 CG ASP B 96 67.614 78.806 -25.132 1.00 26.71 C ATOM 2230 OD1 ASP B 96 67.459 79.743 -25.928 1.00 30.39 O ATOM 2231 OD2 ASP B 96 68.419 77.850 -25.343 1.00 29.41 O ATOM 2232 H ASP B 96 64.423 78.075 -25.081 1.00 0.00 H ATOM 2233 N VAL B 97 65.182 75.998 -21.964 1.00 15.82 N ATOM 2234 CA VAL B 97 64.365 75.647 -20.814 1.00 15.27 C ATOM 2235 C VAL B 97 64.986 76.222 -19.534 1.00 16.19 C ATOM 2236 O VAL B 97 66.214 76.150 -19.297 1.00 15.59 O ATOM 2237 CB VAL B 97 64.277 74.104 -20.697 1.00 15.55 C ATOM 2238 CG1 VAL B 97 63.600 73.672 -19.392 1.00 15.35 C ATOM 2239 CG2 VAL B 97 63.588 73.538 -21.942 1.00 16.23 C ATOM 2240 H VAL B 97 65.684 75.243 -22.473 1.00 0.00 H ATOM 2241 N SER B 98 64.142 76.762 -18.674 1.00 15.61 N ATOM 2242 CA SER B 98 64.633 77.199 -17.371 1.00 18.06 C ATOM 2243 C SER B 98 63.441 77.115 -16.442 1.00 19.87 C ATOM 2244 O SER B 98 62.533 77.967 -16.530 1.00 22.39 O ATOM 2245 CB SER B 98 65.143 78.671 -17.461 1.00 21.34 C ATOM 2246 OG SER B 98 65.606 79.056 -16.173 1.00 25.59 O ATOM 2247 HG SER B 98 65.935 79.989 -16.207 1.00 0.00 H ATOM 2248 H SER B 98 63.138 76.875 -18.922 1.00 0.00 H ATOM 2249 N ILE B 99 63.376 76.071 -15.619 1.00 18.12 N ATOM 2250 CA ILE B 99 62.264 75.862 -14.701 1.00 17.92 C ATOM 2251 C ILE B 99 62.881 75.616 -13.309 1.00 19.85 C ATOM 2252 O ILE B 99 64.022 75.095 -13.218 1.00 17.69 O ATOM 2253 CB ILE B 99 61.484 74.598 -15.210 1.00 17.33 C ATOM 2254 CG1 ILE B 99 60.676 74.988 -16.453 1.00 18.48 C ATOM 2255 CG2 ILE B 99 60.562 74.028 -14.168 1.00 19.75 C ATOM 2256 CD1 ILE B 99 60.066 73.749 -17.149 1.00 16.31 C ATOM 2257 H ILE B 99 64.150 75.377 -15.632 1.00 0.00 H ATOM 2258 N GLU B 100 62.187 76.026 -12.246 1.00 17.28 N ATOM 2259 CA GLU B 100 62.496 75.600 -10.908 1.00 16.84 C ATOM 2260 C GLU B 100 61.250 75.009 -10.318 1.00 19.81 C ATOM 2261 O GLU B 100 60.151 75.608 -10.425 1.00 17.53 O ATOM 2262 CB GLU B 100 62.949 76.793 -10.077 1.00 21.98 C ATOM 2263 CG GLU B 100 63.294 76.392 -8.655 1.00 27.64 C ATOM 2264 CD GLU B 100 63.953 77.538 -7.864 1.00 36.65 C ATOM 2265 OE1 GLU B 100 63.902 78.700 -8.282 1.00 41.01 O ATOM 2266 OE2 GLU B 100 64.540 77.265 -6.815 1.00 39.61 O ATOM 2267 H GLU B 100 61.391 76.680 -12.391 1.00 0.00 H ATOM 2268 N ASP B 101 61.370 73.819 -9.742 1.00 17.79 N ATOM 2269 CA ASP B 101 60.187 73.082 -9.287 1.00 20.11 C ATOM 2270 C ASP B 101 60.422 72.446 -7.905 1.00 21.25 C ATOM 2271 O ASP B 101 61.471 71.831 -7.666 1.00 20.67 O ATOM 2272 CB ASP B 101 59.782 72.002 -10.310 1.00 20.83 C ATOM 2273 CG ASP B 101 58.369 71.439 -10.007 1.00 22.83 C ATOM 2274 OD1 ASP B 101 57.361 72.153 -10.301 1.00 23.32 O ATOM 2275 OD2 ASP B 101 58.255 70.334 -9.429 1.00 19.92 O ATOM 2276 H ASP B 101 62.315 73.404 -9.612 1.00 0.00 H ATOM 2277 N SER B 102 59.429 72.541 -7.014 1.00 21.38 N ATOM 2278 CA SER B 102 59.600 72.026 -5.667 1.00 21.76 C ATOM 2279 C SER B 102 58.905 70.723 -5.429 1.00 20.95 C ATOM 2280 O SER B 102 58.932 70.218 -4.328 1.00 21.93 O ATOM 2281 CB SER B 102 59.093 73.034 -4.630 1.00 26.18 C ATOM 2282 OG SER B 102 59.970 74.130 -4.551 1.00 27.25 O ATOM 2283 HG SER B 102 60.024 74.572 -5.435 1.00 0.00 H ATOM 2284 H SER B 102 58.530 72.986 -7.287 1.00 0.00 H ATOM 2285 N VAL B 103 58.261 70.170 -6.439 1.00 17.78 N ATOM 2286 CA VAL B 103 57.559 68.918 -6.237 1.00 17.11 C ATOM 2287 C VAL B 103 58.397 67.708 -6.748 1.00 17.84 C ATOM 2288 O VAL B 103 58.464 66.651 -6.120 1.00 16.67 O ATOM 2289 CB VAL B 103 56.161 69.007 -6.927 1.00 16.39 C ATOM 2290 CG1 VAL B 103 55.456 67.679 -6.864 1.00 18.58 C ATOM 2291 CG2 VAL B 103 55.250 70.066 -6.212 1.00 18.28 C ATOM 2292 H VAL B 103 58.257 70.629 -7.372 1.00 0.00 H ATOM 2293 N ILE B 104 58.990 67.834 -7.929 1.00 16.80 N ATOM 2294 CA ILE B 104 59.956 66.793 -8.338 1.00 14.97 C ATOM 2295 C ILE B 104 61.151 66.830 -7.359 1.00 15.47 C ATOM 2296 O ILE B 104 61.438 67.859 -6.707 1.00 15.75 O ATOM 2297 CB ILE B 104 60.438 67.003 -9.808 1.00 15.10 C ATOM 2298 CG1 ILE B 104 61.104 68.373 -9.992 1.00 13.89 C ATOM 2299 CG2 ILE B 104 59.283 66.793 -10.789 1.00 15.87 C ATOM 2300 CD1 ILE B 104 61.998 68.456 -11.260 1.00 14.04 C ATOM 2301 H ILE B 104 58.781 68.642 -8.549 1.00 0.00 H ATOM 2302 N SER B 105 61.937 65.749 -7.336 1.00 14.89 N ATOM 2303 CA SER B 105 63.116 65.685 -6.475 1.00 15.07 C ATOM 2304 C SER B 105 64.115 64.738 -7.161 1.00 15.46 C ATOM 2305 O SER B 105 63.750 63.947 -8.037 1.00 14.90 O ATOM 2306 CB SER B 105 62.742 65.024 -5.115 1.00 16.77 C ATOM 2307 OG SER B 105 63.860 65.204 -4.172 1.00 16.57 O ATOM 2308 HG SER B 105 63.629 64.786 -3.305 1.00 0.00 H ATOM 2309 H SER B 105 61.705 64.937 -7.943 1.00 0.00 H ATOM 2310 N LEU B 106 65.359 64.842 -6.741 1.00 15.94 N ATOM 2311 CA LEU B 106 66.372 63.827 -7.136 1.00 17.99 C ATOM 2312 C LEU B 106 66.595 62.807 -6.045 1.00 21.70 C ATOM 2313 O LEU B 106 67.540 62.009 -6.134 1.00 21.83 O ATOM 2314 CB LEU B 106 67.701 64.564 -7.479 1.00 17.61 C ATOM 2315 CG LEU B 106 67.572 65.595 -8.600 1.00 17.73 C ATOM 2316 CD1 LEU B 106 68.932 66.311 -8.976 1.00 17.98 C ATOM 2317 CD2 LEU B 106 66.929 64.977 -9.845 1.00 17.86 C ATOM 2318 H LEU B 106 65.634 65.638 -6.130 1.00 0.00 H ATOM 2319 N SER B 107 65.757 62.798 -5.018 1.00 20.72 N ATOM 2320 CA SER B 107 65.750 61.677 -4.058 1.00 25.35 C ATOM 2321 C SER B 107 64.393 61.502 -3.429 1.00 24.93 C ATOM 2322 O SER B 107 63.487 62.330 -3.615 1.00 21.97 O ATOM 2323 CB SER B 107 66.757 61.909 -2.915 1.00 27.18 C ATOM 2324 OG SER B 107 66.535 63.170 -2.351 1.00 33.99 O ATOM 2325 HG SER B 107 66.654 63.866 -3.045 1.00 0.00 H ATOM 2326 H SER B 107 65.096 63.591 -4.887 1.00 0.00 H ATOM 2327 N GLY B 108 64.247 60.418 -2.690 1.00 23.25 N ATOM 2328 CA GLY B 108 62.991 60.132 -2.007 1.00 26.44 C ATOM 2329 C GLY B 108 61.853 59.662 -2.893 1.00 24.97 C ATOM 2330 O GLY B 108 62.054 59.216 -4.027 1.00 24.65 O ATOM 2331 H GLY B 108 65.043 59.756 -2.593 1.00 0.00 H ATOM 2332 N ASP B 109 60.633 59.824 -2.392 1.00 23.86 N ATOM 2333 CA ASP B 109 59.441 59.283 -3.069 1.00 25.63 C ATOM 2334 C ASP B 109 59.168 59.962 -4.395 1.00 20.09 C ATOM 2335 O ASP B 109 58.514 59.365 -5.262 1.00 21.79 O ATOM 2336 CB ASP B 109 58.183 59.594 -2.237 1.00 29.38 C ATOM 2337 CG ASP B 109 58.039 58.668 -1.043 1.00 36.24 C ATOM 2338 OD1 ASP B 109 57.262 59.022 -0.144 1.00 38.28 O ATOM 2339 OD2 ASP B 109 58.686 57.600 -1.044 1.00 40.96 O ATOM 2340 H ASP B 109 60.516 60.346 -1.500 1.00 0.00 H ATOM 2341 N HIS B 110 59.509 61.240 -4.466 1.00 17.89 N ATOM 2342 CA HIS B 110 59.281 61.992 -5.690 1.00 20.18 C ATOM 2343 C HIS B 110 60.510 62.014 -6.624 1.00 18.47 C ATOM 2344 O HIS B 110 60.563 62.812 -7.547 1.00 17.21 O ATOM 2345 CB HIS B 110 58.855 63.414 -5.341 1.00 21.36 C ATOM 2346 CG HIS B 110 57.523 63.459 -4.644 1.00 26.86 C ATOM 2347 ND1 HIS B 110 56.948 64.635 -4.199 1.00 32.24 N ATOM 2348 CD2 HIS B 110 56.656 62.461 -4.321 1.00 27.79 C ATOM 2349 CE1 HIS B 110 55.800 64.351 -3.595 1.00 31.35 C ATOM 2350 NE2 HIS B 110 55.586 63.049 -3.683 1.00 33.53 N ATOM 2351 H HIS B 110 59.941 61.707 -3.644 1.00 0.00 H ATOM 2352 N CYS B 111 61.448 61.121 -6.374 1.00 17.17 N ATOM 2353 CA CYS B 111 62.691 61.018 -7.173 1.00 17.73 C ATOM 2354 C CYS B 111 62.336 60.743 -8.630 1.00 16.62 C ATOM 2355 O CYS B 111 61.549 59.864 -8.934 1.00 17.74 O ATOM 2356 CB CYS B 111 63.533 59.850 -6.645 1.00 20.08 C ATOM 2357 SG CYS B 111 65.114 59.842 -7.489 1.00 24.23 S ATOM 2358 H CYS B 111 61.309 60.461 -5.582 1.00 0.00 H ATOM 2359 N ILE B 112 62.946 61.483 -9.544 1.00 15.60 N ATOM 2360 CA ILE B 112 62.654 61.326 -10.975 1.00 15.01 C ATOM 2361 C ILE B 112 63.820 60.620 -11.736 1.00 14.76 C ATOM 2362 O ILE B 112 63.710 60.330 -12.911 1.00 13.47 O ATOM 2363 CB ILE B 112 62.330 62.690 -11.636 1.00 16.21 C ATOM 2364 CG1 ILE B 112 63.543 63.663 -11.572 1.00 16.81 C ATOM 2365 CG2 ILE B 112 60.966 63.211 -11.061 1.00 15.87 C ATOM 2366 CD1 ILE B 112 63.263 64.989 -12.293 1.00 19.34 C ATOM 2367 H ILE B 112 63.646 62.190 -9.242 1.00 0.00 H ATOM 2368 N ILE B 113 64.909 60.348 -11.011 1.00 14.99 N ATOM 2369 CA ILE B 113 66.055 59.542 -11.579 1.00 15.75 C ATOM 2370 C ILE B 113 65.539 58.194 -12.045 1.00 14.47 C ATOM 2371 O ILE B 113 64.821 57.526 -11.320 1.00 15.37 O ATOM 2372 CB ILE B 113 67.136 59.245 -10.523 1.00 15.75 C ATOM 2373 CG1 ILE B 113 67.700 60.542 -9.992 1.00 17.90 C ATOM 2374 CG2 ILE B 113 68.275 58.389 -11.135 1.00 15.36 C ATOM 2375 CD1 ILE B 113 68.108 61.458 -11.109 1.00 19.63 C ATOM 2376 H ILE B 113 64.970 60.699 -10.034 1.00 0.00 H ATOM 2377 N GLY B 114 65.875 57.782 -13.257 1.00 14.13 N ATOM 2378 CA GLY B 114 65.402 56.469 -13.709 1.00 12.94 C ATOM 2379 C GLY B 114 64.023 56.551 -14.368 1.00 13.82 C ATOM 2380 O GLY B 114 63.534 55.542 -14.821 1.00 13.81 O ATOM 2381 H GLY B 114 66.462 58.377 -13.876 1.00 0.00 H ATOM 2382 N ARG B 115 63.422 57.753 -14.421 1.00 12.74 N ATOM 2383 CA ARG B 115 62.089 57.926 -15.114 1.00 13.88 C ATOM 2384 C ARG B 115 62.379 58.639 -16.435 1.00 14.92 C ATOM 2385 O ARG B 115 63.548 58.852 -16.776 1.00 16.23 O ATOM 2386 CB ARG B 115 61.130 58.727 -14.208 1.00 13.38 C ATOM 2387 CG ARG B 115 61.015 57.974 -12.862 1.00 15.60 C ATOM 2388 CD ARG B 115 59.861 58.374 -11.962 1.00 18.51 C ATOM 2389 NE ARG B 115 59.909 57.651 -10.647 1.00 17.08 N ATOM 2390 CZ ARG B 115 59.314 56.475 -10.385 1.00 18.94 C ATOM 2391 NH1 ARG B 115 58.600 55.777 -11.305 1.00 17.33 N ATOM 2392 NH2 ARG B 115 59.393 56.028 -9.142 1.00 19.48 N ATOM 2393 HE ARG B 115 60.446 58.097 -9.876 1.00 0.00 H ATOM 2394 HH12 ARG B 115 58.161 54.871 -11.044 1.00 0.00 H ATOM 2395 HH11 ARG B 115 58.492 56.149 -12.270 1.00 0.00 H ATOM 2396 HH22 ARG B 115 58.950 55.123 -8.886 1.00 0.00 H ATOM 2397 HH21 ARG B 115 59.898 56.582 -8.421 1.00 0.00 H ATOM 2398 H ARG B 115 63.881 58.575 -13.979 1.00 0.00 H ATOM 2399 N THR B 116 61.335 58.934 -17.195 1.00 14.86 N ATOM 2400 CA THR B 116 61.514 59.476 -18.542 1.00 14.74 C ATOM 2401 C THR B 116 61.007 60.914 -18.610 1.00 15.56 C ATOM 2402 O THR B 116 59.844 61.181 -18.223 1.00 16.28 O ATOM 2403 CB THR B 116 60.776 58.633 -19.570 1.00 15.73 C ATOM 2404 OG1 THR B 116 61.380 57.325 -19.647 1.00 17.20 O ATOM 2405 CG2 THR B 116 60.862 59.264 -21.013 1.00 14.31 C ATOM 2406 HG1 THR B 116 61.327 56.886 -18.761 1.00 0.00 H ATOM 2407 H THR B 116 60.374 58.778 -16.829 1.00 0.00 H ATOM 2408 N LEU B 117 61.833 61.806 -19.138 1.00 13.77 N ATOM 2409 CA LEU B 117 61.375 63.164 -19.508 1.00 13.34 C ATOM 2410 C LEU B 117 60.880 63.132 -20.926 1.00 14.54 C ATOM 2411 O LEU B 117 61.562 62.564 -21.801 1.00 12.88 O ATOM 2412 CB LEU B 117 62.488 64.197 -19.437 1.00 14.09 C ATOM 2413 CG LEU B 117 62.186 65.686 -19.642 1.00 13.38 C ATOM 2414 CD1 LEU B 117 61.279 66.212 -18.497 1.00 14.34 C ATOM 2415 CD2 LEU B 117 63.550 66.416 -19.628 1.00 12.06 C ATOM 2416 H LEU B 117 62.827 61.545 -19.296 1.00 0.00 H ATOM 2417 N VAL B 118 59.711 63.759 -21.163 1.00 12.75 N ATOM 2418 CA VAL B 118 59.100 63.795 -22.483 1.00 13.75 C ATOM 2419 C VAL B 118 58.726 65.216 -22.886 1.00 14.80 C ATOM 2420 O VAL B 118 58.108 65.937 -22.088 1.00 14.02 O ATOM 2421 CB VAL B 118 57.793 62.943 -22.511 1.00 14.10 C ATOM 2422 CG1 VAL B 118 57.119 63.063 -23.913 1.00 14.26 C ATOM 2423 CG2 VAL B 118 58.118 61.459 -22.180 1.00 15.77 C ATOM 2424 H VAL B 118 59.228 64.234 -20.374 1.00 0.00 H ATOM 2425 N VAL B 119 59.045 65.615 -24.126 1.00 14.07 N ATOM 2426 CA VAL B 119 58.524 66.885 -24.626 1.00 13.70 C ATOM 2427 C VAL B 119 57.425 66.543 -25.681 1.00 14.82 C ATOM 2428 O VAL B 119 57.607 65.658 -26.562 1.00 14.29 O ATOM 2429 CB VAL B 119 59.634 67.820 -25.178 1.00 14.25 C ATOM 2430 CG1 VAL B 119 60.414 67.186 -26.363 1.00 15.44 C ATOM 2431 CG2 VAL B 119 59.020 69.141 -25.614 1.00 15.70 C ATOM 2432 H VAL B 119 59.657 65.026 -24.726 1.00 0.00 H ATOM 2433 N HIS B 120 56.279 67.209 -25.546 1.00 13.45 N ATOM 2434 CA HIS B 120 55.075 66.843 -26.327 1.00 14.19 C ATOM 2435 C HIS B 120 54.826 67.741 -27.516 1.00 15.33 C ATOM 2436 O HIS B 120 55.384 68.828 -27.622 1.00 15.25 O ATOM 2437 CB HIS B 120 53.845 66.870 -25.413 1.00 14.03 C ATOM 2438 CG HIS B 120 53.837 65.749 -24.429 1.00 15.35 C ATOM 2439 ND1 HIS B 120 53.136 64.588 -24.659 1.00 16.37 N ATOM 2440 CD2 HIS B 120 54.477 65.574 -23.244 1.00 15.30 C ATOM 2441 CE1 HIS B 120 53.269 63.768 -23.629 1.00 16.70 C ATOM 2442 NE2 HIS B 120 54.102 64.333 -22.763 1.00 16.67 N ATOM 2443 H HIS B 120 56.229 68.004 -24.877 1.00 0.00 H ATOM 2444 N GLU B 121 53.887 67.300 -28.352 1.00 15.58 N ATOM 2445 CA GLU B 121 53.604 67.974 -29.606 1.00 17.62 C ATOM 2446 C GLU B 121 52.914 69.352 -29.468 1.00 16.80 C ATOM 2447 O GLU B 121 53.205 70.258 -30.225 1.00 18.16 O ATOM 2448 CB GLU B 121 52.687 67.003 -30.371 1.00 18.62 C ATOM 2449 CG GLU B 121 52.064 67.507 -31.657 1.00 25.15 C ATOM 2450 CD GLU B 121 50.758 66.736 -32.036 1.00 34.69 C ATOM 2451 OE1 GLU B 121 50.224 65.814 -31.296 1.00 30.27 O ATOM 2452 OE2 GLU B 121 50.222 67.112 -33.101 1.00 39.71 O ATOM 2453 H GLU B 121 53.343 66.451 -28.099 1.00 0.00 H ATOM 2454 N LYS B 122 52.065 69.514 -28.460 1.00 19.06 N ATOM 2455 CA LYS B 122 51.160 70.687 -28.333 1.00 20.93 C ATOM 2456 C LYS B 122 51.296 71.259 -26.919 1.00 19.35 C ATOM 2457 O LYS B 122 51.942 70.646 -26.023 1.00 18.63 O ATOM 2458 CB LYS B 122 49.672 70.226 -28.485 1.00 23.39 C ATOM 2459 CG LYS B 122 49.343 69.412 -29.711 1.00 31.04 C ATOM 2460 CD LYS B 122 47.904 68.898 -29.695 1.00 37.42 C ATOM 2461 CE LYS B 122 46.893 70.020 -29.549 1.00 45.18 C ATOM 2462 NZ LYS B 122 45.484 69.658 -29.978 1.00 51.17 N ATOM 2463 HZ1 LYS B 122 45.488 69.383 -30.981 1.00 0.00 H ATOM 2464 HZ2 LYS B 122 45.140 68.864 -29.401 1.00 0.00 H ATOM 2465 HZ3 LYS B 122 44.861 70.480 -29.845 1.00 0.00 H ATOM 2466 H LYS B 122 52.031 68.783 -27.721 1.00 0.00 H ATOM 2467 N ALA B 123 50.668 72.417 -26.715 1.00 17.25 N ATOM 2468 CA ALA B 123 50.632 73.018 -25.382 1.00 16.96 C ATOM 2469 C ALA B 123 49.895 72.120 -24.370 1.00 17.98 C ATOM 2470 O ALA B 123 48.873 71.453 -24.686 1.00 17.49 O ATOM 2471 CB ALA B 123 50.012 74.429 -25.458 1.00 19.74 C ATOM 2472 H ALA B 123 50.200 72.897 -27.510 1.00 0.00 H ATOM 2473 N ASP B 124 50.421 72.081 -23.152 1.00 15.85 N ATOM 2474 CA ASP B 124 49.712 71.489 -22.026 1.00 16.71 C ATOM 2475 C ASP B 124 48.681 72.522 -21.586 1.00 15.54 C ATOM 2476 O ASP B 124 49.072 73.671 -21.286 1.00 14.98 O ATOM 2477 CB ASP B 124 50.751 71.300 -20.907 1.00 17.11 C ATOM 2478 CG ASP B 124 50.195 70.613 -19.656 1.00 19.94 C ATOM 2479 OD1 ASP B 124 48.975 70.537 -19.460 1.00 16.81 O ATOM 2480 OD2 ASP B 124 51.041 70.092 -18.851 1.00 20.43 O ATOM 2481 H ASP B 124 51.367 72.485 -22.997 1.00 0.00 H ATOM 2482 N ASP B 125 47.397 72.124 -21.495 1.00 15.75 N ATOM 2483 CA ASP B 125 46.356 73.101 -21.045 1.00 17.54 C ATOM 2484 C ASP B 125 46.260 73.257 -19.504 1.00 17.55 C ATOM 2485 O ASP B 125 45.368 73.936 -18.959 1.00 16.91 O ATOM 2486 CB ASP B 125 44.996 72.738 -21.689 1.00 18.80 C ATOM 2487 CG ASP B 125 44.347 71.468 -21.113 1.00 18.70 C ATOM 2488 OD1 ASP B 125 44.701 70.935 -20.044 1.00 17.28 O ATOM 2489 OD2 ASP B 125 43.393 70.959 -21.772 1.00 19.18 O ATOM 2490 H ASP B 125 47.132 71.147 -21.735 1.00 0.00 H ATOM 2491 N LEU B 126 47.113 72.505 -18.804 1.00 15.54 N ATOM 2492 CA LEU B 126 47.334 72.670 -17.357 1.00 15.55 C ATOM 2493 C LEU B 126 46.102 72.244 -16.570 1.00 15.83 C ATOM 2494 O LEU B 126 45.892 72.700 -15.431 1.00 15.76 O ATOM 2495 CB LEU B 126 47.829 74.086 -17.007 1.00 16.99 C ATOM 2496 CG LEU B 126 48.981 74.634 -17.834 1.00 18.61 C ATOM 2497 CD1 LEU B 126 49.296 76.040 -17.423 1.00 21.10 C ATOM 2498 CD2 LEU B 126 50.245 73.765 -17.793 1.00 18.90 C ATOM 2499 H LEU B 126 47.647 71.767 -19.305 1.00 0.00 H ATOM 2500 N GLY B 127 45.343 71.325 -17.166 1.00 15.09 N ATOM 2501 CA GLY B 127 44.173 70.758 -16.494 1.00 16.34 C ATOM 2502 C GLY B 127 42.941 71.698 -16.640 1.00 19.23 C ATOM 2503 O GLY B 127 41.934 71.474 -15.995 1.00 16.19 O ATOM 2504 H GLY B 127 45.586 71.005 -18.125 1.00 0.00 H ATOM 2505 N LYS B 128 43.017 72.703 -17.490 1.00 17.13 N ATOM 2506 CA LYS B 128 41.898 73.715 -17.560 1.00 18.32 C ATOM 2507 C LYS B 128 41.039 73.591 -18.802 1.00 17.84 C ATOM 2508 O LYS B 128 40.361 74.563 -19.202 1.00 20.40 O ATOM 2509 CB LYS B 128 42.477 75.124 -17.482 1.00 18.73 C ATOM 2510 CG LYS B 128 43.230 75.373 -16.203 1.00 22.88 C ATOM 2511 CD LYS B 128 44.003 76.638 -16.524 1.00 32.91 C ATOM 2512 CE LYS B 128 44.192 77.508 -15.320 1.00 40.91 C ATOM 2513 NZ LYS B 128 43.979 78.867 -15.891 1.00 41.05 N ATOM 2514 HZ1 LYS B 128 44.682 79.042 -16.637 1.00 0.00 H ATOM 2515 HZ2 LYS B 128 43.022 78.927 -16.293 1.00 0.00 H ATOM 2516 HZ3 LYS B 128 44.085 79.578 -15.139 1.00 0.00 H ATOM 2517 H LYS B 128 43.846 72.799 -18.111 1.00 0.00 H ATOM 2518 N GLY B 129 41.111 72.443 -19.472 1.00 14.74 N ATOM 2519 CA GLY B 129 40.430 72.279 -20.771 1.00 16.58 C ATOM 2520 C GLY B 129 38.952 71.820 -20.677 1.00 16.28 C ATOM 2521 O GLY B 129 38.275 71.707 -21.711 1.00 16.23 O ATOM 2522 H GLY B 129 41.655 71.651 -19.074 1.00 0.00 H ATOM 2523 N GLY B 130 38.503 71.454 -19.469 1.00 17.44 N ATOM 2524 CA GLY B 130 37.059 71.095 -19.231 1.00 18.05 C ATOM 2525 C GLY B 130 36.668 69.746 -19.827 1.00 19.77 C ATOM 2526 O GLY B 130 35.482 69.467 -20.087 1.00 19.61 O ATOM 2527 H GLY B 130 39.170 71.417 -18.672 1.00 0.00 H ATOM 2528 N ASN B 131 37.657 68.876 -20.089 1.00 21.83 N ATOM 2529 CA ASN B 131 37.354 67.512 -20.504 1.00 21.32 C ATOM 2530 C ASN B 131 38.182 66.504 -19.717 1.00 22.22 C ATOM 2531 O ASN B 131 39.108 66.875 -18.978 1.00 20.19 O ATOM 2532 CB ASN B 131 37.403 67.335 -22.055 1.00 23.34 C ATOM 2533 CG ASN B 131 38.811 67.524 -22.664 1.00 26.29 C ATOM 2534 OD1 ASN B 131 39.805 67.572 -21.959 1.00 21.29 O ATOM 2535 ND2 ASN B 131 38.874 67.593 -23.991 1.00 24.84 N ATOM 2536 HD22 ASN B 131 38.002 67.548 -24.556 1.00 0.00 H ATOM 2537 HD21 ASN B 131 39.795 67.692 -24.463 1.00 0.00 H ATOM 2538 H ASN B 131 38.648 69.178 -19.995 1.00 0.00 H ATOM 2539 N GLU B 132 37.837 65.229 -19.829 1.00 22.61 N ATOM 2540 CA GLU B 132 38.538 64.204 -19.069 1.00 27.33 C ATOM 2541 C GLU B 132 40.020 64.155 -19.419 1.00 23.68 C ATOM 2542 O GLU B 132 40.862 63.959 -18.553 1.00 24.09 O ATOM 2543 CB GLU B 132 37.970 62.812 -19.348 1.00 29.68 C ATOM 2544 CG GLU B 132 36.871 62.431 -18.374 1.00 40.77 C ATOM 2545 CD GLU B 132 36.629 60.919 -18.284 1.00 55.44 C ATOM 2546 OE1 GLU B 132 37.492 60.108 -18.742 1.00 54.25 O ATOM 2547 OE2 GLU B 132 35.564 60.541 -17.733 1.00 59.49 O ATOM 2548 H GLU B 132 37.060 64.959 -20.465 1.00 0.00 H ATOM 2549 N GLU B 133 40.305 64.300 -20.691 1.00 22.44 N ATOM 2550 CA GLU B 133 41.685 64.204 -21.163 1.00 24.01 C ATOM 2551 C GLU B 133 42.526 65.353 -20.526 1.00 23.28 C ATOM 2552 O GLU B 133 43.703 65.179 -20.219 1.00 21.12 O ATOM 2553 CB GLU B 133 41.717 64.323 -22.666 1.00 26.12 C ATOM 2554 CG GLU B 133 43.091 64.066 -23.272 1.00 33.55 C ATOM 2555 CD GLU B 133 43.509 62.625 -23.094 1.00 40.12 C ATOM 2556 OE1 GLU B 133 42.688 61.752 -23.426 1.00 40.49 O ATOM 2557 OE2 GLU B 133 44.632 62.350 -22.585 1.00 36.33 O ATOM 2558 H GLU B 133 39.541 64.485 -21.371 1.00 0.00 H ATOM 2559 N SER B 134 41.910 66.496 -20.269 1.00 19.38 N ATOM 2560 CA SER B 134 42.681 67.593 -19.683 1.00 16.85 C ATOM 2561 C SER B 134 43.177 67.236 -18.319 1.00 17.65 C ATOM 2562 O SER B 134 44.304 67.628 -17.958 1.00 16.06 O ATOM 2563 CB SER B 134 41.822 68.867 -19.671 1.00 18.14 C ATOM 2564 OG SER B 134 42.419 69.909 -18.974 1.00 18.43 O ATOM 2565 HG SER B 134 43.287 70.132 -19.395 1.00 0.00 H ATOM 2566 H SER B 134 40.898 66.612 -20.479 1.00 0.00 H ATOM 2567 N THR B 135 42.358 66.500 -17.544 1.00 17.54 N ATOM 2568 CA THR B 135 42.691 66.110 -16.164 1.00 21.10 C ATOM 2569 C THR B 135 43.649 64.902 -16.121 1.00 20.51 C ATOM 2570 O THR B 135 44.024 64.435 -15.013 1.00 19.58 O ATOM 2571 CB THR B 135 41.396 65.625 -15.380 1.00 24.27 C ATOM 2572 OG1 THR B 135 41.005 64.306 -15.865 1.00 35.40 O ATOM 2573 CG2 THR B 135 40.279 66.472 -15.595 1.00 27.11 C ATOM 2574 HG1 THR B 135 40.807 64.357 -16.834 1.00 0.00 H ATOM 2575 H THR B 135 41.447 66.192 -17.939 1.00 0.00 H ATOM 2576 N LYS B 136 44.003 64.392 -17.294 1.00 21.03 N ATOM 2577 CA LYS B 136 44.941 63.231 -17.432 1.00 23.92 C ATOM 2578 C LYS B 136 46.267 63.637 -18.047 1.00 20.87 C ATOM 2579 O LYS B 136 47.324 63.357 -17.473 1.00 23.14 O ATOM 2580 CB LYS B 136 44.315 62.049 -18.214 1.00 25.13 C ATOM 2581 CG LYS B 136 43.089 61.514 -17.493 1.00 34.09 C ATOM 2582 CD LYS B 136 42.746 60.063 -17.860 1.00 40.90 C ATOM 2583 CE LYS B 136 42.469 59.828 -19.332 1.00 47.55 C ATOM 2584 NZ LYS B 136 41.880 58.459 -19.589 1.00 52.27 N ATOM 2585 HZ1 LYS B 136 42.546 57.730 -19.264 1.00 0.00 H ATOM 2586 HZ2 LYS B 136 40.983 58.366 -19.071 1.00 0.00 H ATOM 2587 HZ3 LYS B 136 41.707 58.343 -20.608 1.00 0.00 H ATOM 2588 H LYS B 136 43.611 64.818 -18.158 1.00 0.00 H ATOM 2589 N THR B 137 46.232 64.282 -19.206 1.00 20.49 N ATOM 2590 CA THR B 137 47.465 64.582 -19.977 1.00 21.22 C ATOM 2591 C THR B 137 47.608 66.061 -20.300 1.00 20.57 C ATOM 2592 O THR B 137 48.565 66.481 -20.990 1.00 20.32 O ATOM 2593 CB THR B 137 47.431 63.846 -21.322 1.00 23.59 C ATOM 2594 OG1 THR B 137 46.342 64.338 -22.095 1.00 22.61 O ATOM 2595 CG2 THR B 137 47.255 62.299 -21.114 1.00 24.93 C ATOM 2596 HG1 THR B 137 46.316 63.866 -22.965 1.00 0.00 H ATOM 2597 H THR B 137 45.313 64.587 -19.586 1.00 0.00 H ATOM 2598 N GLY B 138 46.567 66.849 -19.967 1.00 18.58 N ATOM 2599 CA GLY B 138 46.617 68.258 -20.355 1.00 16.86 C ATOM 2600 C GLY B 138 46.408 68.465 -21.860 1.00 15.61 C ATOM 2601 O GLY B 138 46.609 69.568 -22.338 1.00 16.64 O ATOM 2602 H GLY B 138 45.751 66.466 -19.449 1.00 0.00 H ATOM 2603 N ASN B 139 45.979 67.423 -22.599 1.00 17.11 N ATOM 2604 CA ASN B 139 45.745 67.549 -24.040 1.00 17.26 C ATOM 2605 C ASN B 139 47.035 67.917 -24.818 1.00 16.76 C ATOM 2606 O ASN B 139 46.982 68.576 -25.846 1.00 15.75 O ATOM 2607 CB ASN B 139 44.629 68.598 -24.314 1.00 20.80 C ATOM 2608 CG ASN B 139 43.242 68.025 -23.981 1.00 21.88 C ATOM 2609 OD1 ASN B 139 42.882 66.988 -24.528 1.00 23.70 O ATOM 2610 ND2 ASN B 139 42.550 68.605 -23.016 1.00 20.77 N ATOM 2611 HD22 ASN B 139 42.898 69.485 -22.583 1.00 0.00 H ATOM 2612 HD21 ASN B 139 41.658 68.182 -22.689 1.00 0.00 H ATOM 2613 H ASN B 139 45.810 66.507 -22.135 1.00 0.00 H ATOM 2614 N ALA B 140 48.214 67.513 -24.297 1.00 15.37 N ATOM 2615 CA ALA B 140 49.479 68.006 -24.895 1.00 15.46 C ATOM 2616 C ALA B 140 49.872 67.171 -26.144 1.00 15.81 C ATOM 2617 O ALA B 140 50.902 67.414 -26.805 1.00 16.16 O ATOM 2618 CB ALA B 140 50.626 67.991 -23.829 1.00 12.56 C ATOM 2619 H ALA B 140 48.235 66.863 -23.485 1.00 0.00 H ATOM 2620 N GLY B 141 49.071 66.174 -26.474 1.00 18.04 N ATOM 2621 CA GLY B 141 49.304 65.368 -27.717 1.00 19.21 C ATOM 2622 C GLY B 141 50.523 64.430 -27.701 1.00 19.29 C ATOM 2623 O GLY B 141 50.945 63.964 -26.627 1.00 17.56 O ATOM 2624 H GLY B 141 48.264 65.944 -25.860 1.00 0.00 H ATOM 2625 N SER B 142 51.101 64.192 -28.888 1.00 19.50 N ATOM 2626 CA SER B 142 52.085 63.121 -29.101 1.00 19.35 C ATOM 2627 C SER B 142 53.381 63.393 -28.372 1.00 18.72 C ATOM 2628 O SER B 142 53.681 64.542 -28.045 1.00 18.94 O ATOM 2629 CB SER B 142 52.459 62.992 -30.583 1.00 20.59 C ATOM 2630 OG SER B 142 51.323 63.048 -31.411 1.00 22.44 O ATOM 2631 HG SER B 142 50.862 63.914 -31.279 1.00 0.00 H ATOM 2632 H SER B 142 50.841 64.794 -29.695 1.00 0.00 H ATOM 2633 N ARG B 143 54.173 62.344 -28.194 1.00 17.27 N ATOM 2634 CA ARG B 143 55.494 62.475 -27.560 1.00 17.93 C ATOM 2635 C ARG B 143 56.514 62.698 -28.656 1.00 18.12 C ATOM 2636 O ARG B 143 56.760 61.793 -29.508 1.00 22.12 O ATOM 2637 CB ARG B 143 55.763 61.177 -26.811 1.00 17.95 C ATOM 2638 CG ARG B 143 54.598 60.959 -25.828 1.00 19.71 C ATOM 2639 CD ARG B 143 54.648 59.615 -25.119 1.00 18.27 C ATOM 2640 NE ARG B 143 53.487 59.469 -24.232 1.00 17.92 N ATOM 2641 CZ ARG B 143 53.382 58.640 -23.189 1.00 19.99 C ATOM 2642 NH1 ARG B 143 54.407 57.883 -22.786 1.00 17.84 N ATOM 2643 NH2 ARG B 143 52.255 58.637 -22.459 1.00 18.61 N ATOM 2644 HE ARG B 143 52.664 60.071 -24.436 1.00 0.00 H ATOM 2645 HH12 ARG B 143 54.295 57.247 -21.971 1.00 0.00 H ATOM 2646 HH11 ARG B 143 55.317 57.930 -23.288 1.00 0.00 H ATOM 2647 HH22 ARG B 143 52.164 57.995 -21.646 1.00 0.00 H ATOM 2648 HH21 ARG B 143 51.473 59.276 -22.707 1.00 0.00 H ATOM 2649 H ARG B 143 53.852 61.407 -28.510 1.00 0.00 H ATOM 2650 N LEU B 144 57.126 63.859 -28.686 1.00 16.86 N ATOM 2651 CA LEU B 144 58.074 64.142 -29.778 1.00 17.98 C ATOM 2652 C LEU B 144 59.446 63.614 -29.497 1.00 18.20 C ATOM 2653 O LEU B 144 60.150 63.234 -30.435 1.00 15.66 O ATOM 2654 CB LEU B 144 58.224 65.657 -30.026 1.00 18.36 C ATOM 2655 CG LEU B 144 56.895 66.349 -30.335 1.00 22.09 C ATOM 2656 CD1 LEU B 144 57.181 67.822 -30.576 1.00 23.05 C ATOM 2657 CD2 LEU B 144 56.217 65.717 -31.536 1.00 24.07 C ATOM 2658 H LEU B 144 56.944 64.570 -27.949 1.00 0.00 H ATOM 2659 N ALA B 145 59.893 63.688 -28.228 1.00 17.05 N ATOM 2660 CA ALA B 145 61.249 63.198 -27.913 1.00 16.39 C ATOM 2661 C ALA B 145 61.254 62.863 -26.435 1.00 16.53 C ATOM 2662 O ALA B 145 60.467 63.438 -25.663 1.00 15.50 O ATOM 2663 CB ALA B 145 62.304 64.266 -28.225 1.00 16.07 C ATOM 2664 H ALA B 145 59.290 64.086 -27.480 1.00 0.00 H ATOM 2665 N CYS B 146 62.139 61.971 -26.017 1.00 15.85 N ATOM 2666 CA CYS B 146 62.166 61.588 -24.591 1.00 16.22 C ATOM 2667 C CYS B 146 63.544 61.020 -24.244 1.00 17.00 C ATOM 2668 O CYS B 146 64.323 60.758 -25.145 1.00 16.25 O ATOM 2669 CB CYS B 146 61.102 60.526 -24.268 1.00 17.85 C ATOM 2670 SG CYS B 146 61.289 59.008 -25.264 1.00 23.42 S ATOM 2671 H CYS B 146 62.809 61.544 -26.687 1.00 0.00 H ATOM 2672 N GLY B 147 63.822 60.828 -22.943 1.00 16.15 N ATOM 2673 CA GLY B 147 65.075 60.147 -22.554 1.00 17.36 C ATOM 2674 C GLY B 147 64.907 59.746 -21.121 1.00 16.62 C ATOM 2675 O GLY B 147 64.068 60.340 -20.384 1.00 14.73 O ATOM 2676 H GLY B 147 63.158 61.157 -22.213 1.00 0.00 H ATOM 2677 N VAL B 148 65.778 58.834 -20.691 1.00 15.86 N ATOM 2678 CA VAL B 148 65.769 58.420 -19.287 1.00 15.00 C ATOM 2679 C VAL B 148 66.597 59.430 -18.529 1.00 15.48 C ATOM 2680 O VAL B 148 67.688 59.798 -18.993 1.00 16.09 O ATOM 2681 CB VAL B 148 66.369 56.985 -19.151 1.00 15.61 C ATOM 2682 CG1 VAL B 148 66.305 56.531 -17.684 1.00 14.93 C ATOM 2683 CG2 VAL B 148 65.545 56.013 -20.032 1.00 17.81 C ATOM 2684 H VAL B 148 66.464 58.417 -21.352 1.00 0.00 H ATOM 2685 N ILE B 149 66.137 59.815 -17.341 1.00 13.87 N ATOM 2686 CA ILE B 149 66.880 60.759 -16.511 1.00 14.53 C ATOM 2687 C ILE B 149 67.962 59.958 -15.731 1.00 13.93 C ATOM 2688 O ILE B 149 67.642 59.051 -14.962 1.00 15.04 O ATOM 2689 CB ILE B 149 65.904 61.461 -15.530 1.00 14.06 C ATOM 2690 CG1 ILE B 149 64.857 62.280 -16.385 1.00 15.95 C ATOM 2691 CG2 ILE B 149 66.643 62.435 -14.588 1.00 13.76 C ATOM 2692 CD1 ILE B 149 63.567 62.599 -15.586 1.00 15.97 C ATOM 2693 H ILE B 149 65.231 59.436 -16.997 1.00 0.00 H ATOM 2694 N GLY B 150 69.197 60.391 -15.862 1.00 14.39 N ATOM 2695 CA GLY B 150 70.318 59.646 -15.285 1.00 15.08 C ATOM 2696 C GLY B 150 71.071 60.493 -14.280 1.00 16.60 C ATOM 2697 O GLY B 150 71.066 61.710 -14.341 1.00 15.41 O ATOM 2698 H GLY B 150 69.380 61.273 -16.382 1.00 0.00 H ATOM 2699 N ILE B 151 71.807 59.818 -13.397 1.00 16.16 N ATOM 2700 CA ILE B 151 72.687 60.506 -12.417 1.00 17.99 C ATOM 2701 C ILE B 151 73.865 61.147 -13.113 1.00 19.00 C ATOM 2702 O ILE B 151 74.483 60.515 -13.976 1.00 18.46 O ATOM 2703 CB ILE B 151 73.235 59.492 -11.353 1.00 20.77 C ATOM 2704 CG1 ILE B 151 72.083 58.976 -10.552 1.00 26.28 C ATOM 2705 CG2 ILE B 151 74.100 60.206 -10.294 1.00 24.28 C ATOM 2706 CD1 ILE B 151 72.336 57.626 -9.913 1.00 31.08 C ATOM 2707 H ILE B 151 71.764 58.779 -13.394 1.00 0.00 H ATOM 2708 N ALA B 152 74.180 62.394 -12.764 1.00 17.05 N ATOM 2709 CA ALA B 152 75.225 63.154 -13.457 1.00 18.66 C ATOM 2710 C ALA B 152 76.331 63.531 -12.457 1.00 22.77 C ATOM 2711 O ALA B 152 76.143 63.391 -11.264 1.00 21.16 O ATOM 2712 CB ALA B 152 74.683 64.403 -14.113 1.00 19.09 C ATOM 2713 H ALA B 152 73.669 62.842 -11.976 1.00 0.00 H ATOM 2714 N GLN B 153 77.493 63.901 -12.973 1.00 26.83 N ATOM 2715 CA GLN B 153 78.729 64.155 -12.149 1.00 36.87 C ATOM 2716 C GLN B 153 78.667 65.607 -11.681 1.00 46.03 C ATOM 2717 O GLN B 153 78.619 66.550 -12.502 1.00 51.13 O ATOM 2718 CB GLN B 153 80.004 63.920 -12.998 1.00 35.21 C ATOM 2719 CG GLN B 153 81.385 63.933 -12.255 1.00 44.83 C ATOM 2720 CD GLN B 153 82.444 63.140 -13.012 1.00 45.62 C ATOM 2721 OE1 GLN B 153 82.258 62.895 -14.219 1.00 37.17 O ATOM 2722 NE2 GLN B 153 83.562 62.695 -12.317 1.00 44.64 N ATOM 2723 OXT GLN B 153 78.677 65.888 -10.466 1.00 61.65 O ATOM 2724 HE22 GLN B 153 83.673 62.925 -11.309 1.00 0.00 H ATOM 2725 HE21 GLN B 153 84.287 62.132 -12.805 1.00 0.00 H ATOM 2726 H GLN B 153 77.556 64.023 -14.004 1.00 0.00 H TER 2727 GLN B 153 HETATM 2728 ZN ZN A 1 85.254 47.291 -12.999 1.00 34.34 ZN HETATM 2729 ZN ZN A 2 50.136 65.321 -15.586 1.00 24.05 ZN HETATM 2730 O HOH 3 79.842 30.254 -31.257 1.00 60.90 O HETATM 2731 O HOH 4 86.099 52.593 -16.904 1.00 30.77 O HETATM 2732 O HOH 5 74.881 53.149 -35.515 1.00 50.70 O HETATM 2733 O HOH 6 94.140 40.903 -20.404 1.00 35.91 O HETATM 2734 O HOH 7 89.574 41.060 -8.002 1.00 39.07 O HETATM 2735 O HOH 8 73.659 50.882 -31.962 1.00 32.31 O HETATM 2736 O HOH 9 72.122 45.803 -35.374 1.00 41.85 O HETATM 2737 O HOH 10 67.917 43.165 -36.344 1.00 41.18 O HETATM 2738 O HOH 11 69.512 54.008 -25.161 1.00 32.25 O HETATM 2739 O HOH 12 77.103 37.821 -10.954 1.00 32.82 O HETATM 2740 O HOH 13 84.903 36.590 -33.138 1.00 44.36 O HETATM 2741 O HOH 14 84.861 58.048 -20.242 1.00 32.58 O HETATM 2742 O HOH 15 76.573 54.169 -2.983 1.00 45.32 O HETATM 2743 O HOH 16 65.196 46.725 -4.812 1.00 28.80 O HETATM 2744 O HOH 17 83.679 42.341 -14.358 1.00 27.50 O HETATM 2745 O HOH 18 90.637 41.669 -23.190 1.00 30.58 O HETATM 2746 O HOH 19 76.620 66.450 -18.531 1.00 29.70 O HETATM 2747 O HOH 20 71.183 33.589 -32.226 1.00 35.89 O HETATM 2748 O HOH 21 93.813 40.670 -9.827 1.00 45.40 O HETATM 2749 O HOH 22 51.549 50.664 -13.521 1.00 51.01 O HETATM 2750 O HOH 23 92.441 31.236 -11.322 1.00 55.35 O HETATM 2751 O HOH 24 62.828 44.525 -4.608 1.00 35.77 O HETATM 2752 O HOH 25 79.124 37.699 -16.564 1.00 27.96 O HETATM 2753 O HOH 26 72.174 48.819 -2.353 1.00 36.60 O HETATM 2754 O HOH 27 78.869 38.605 -35.440 1.00 36.84 O HETATM 2755 O HOH 28 86.036 39.068 -27.737 1.00 45.56 O HETATM 2756 O HOH 29 90.289 36.285 -16.810 1.00 39.54 O HETATM 2757 O HOH 30 58.491 41.611 -4.989 1.00 50.70 O HETATM 2758 O HOH 31 68.298 46.970 -2.074 1.00 28.89 O HETATM 2759 O HOH 32 67.755 34.131 -18.375 1.00 56.04 O HETATM 2760 O HOH 33 93.306 47.855 -22.520 1.00 47.69 O HETATM 2761 O HOH 34 70.534 39.499 2.099 1.00 46.54 O HETATM 2762 O HOH 35 89.156 37.355 -11.498 1.00 46.46 O HETATM 2763 O HOH 36 69.258 33.992 -29.994 1.00 53.74 O HETATM 2764 O HOH 37 79.474 52.682 -30.590 1.00 39.84 O HETATM 2765 O HOH 38 67.852 36.397 -29.222 1.00 53.72 O HETATM 2766 O HOH 39 95.696 35.451 -15.889 1.00 34.40 O HETATM 2767 O HOH 40 72.955 32.953 -28.278 1.00 35.12 O HETATM 2768 O HOH 41 64.320 51.627 -6.167 1.00 47.73 O HETATM 2769 O HOH 42 89.706 50.044 -10.032 1.00 39.07 O HETATM 2770 O HOH 43 77.818 67.282 -21.283 1.00 30.16 O HETATM 2771 O HOH 44 83.915 58.964 -10.572 1.00 35.66 O HETATM 2772 O HOH 45 81.850 54.904 -8.582 1.00 39.71 O HETATM 2773 O HOH 46 73.344 54.058 -5.974 1.00 33.11 O HETATM 2774 O HOH 47 80.356 32.284 -28.910 1.00 34.56 O HETATM 2775 O HOH 48 66.842 53.331 -2.731 1.00 39.74 O HETATM 2776 O HOH 49 85.748 48.304 -19.099 1.00 31.99 O HETATM 2777 O HOH 50 80.084 45.078 -33.286 1.00 30.60 O HETATM 2778 O HOH 51 85.655 54.989 -5.810 1.00 53.89 O HETATM 2779 O HOH 52 87.620 36.977 -4.116 1.00 47.55 O HETATM 2780 O HOH 53 72.989 30.324 -30.920 1.00 52.33 O HETATM 2781 O HOH 54 94.645 52.288 -16.725 1.00 58.57 O HETATM 2782 O HOH 55 77.373 38.918 -2.700 1.00 55.31 O HETATM 2783 O HOH 56 85.606 53.190 -10.832 1.00 42.76 O HETATM 2784 O HOH 57 88.392 39.888 -26.525 1.00 39.99 O HETATM 2785 O HOH 58 84.691 53.858 -26.202 1.00 27.90 O HETATM 2786 O HOH 59 57.475 46.602 -18.042 1.00 45.54 O HETATM 2787 O HOH 60 72.210 55.160 -25.643 1.00 34.04 O HETATM 2788 O HOH 61 62.395 44.963 -17.519 1.00 28.01 O HETATM 2789 O HOH 62 76.408 58.046 -6.350 1.00 43.53 O HETATM 2790 O HOH 63 88.826 38.961 -4.498 1.00 42.89 O HETATM 2791 O HOH 64 57.977 47.982 -7.961 1.00 52.55 O HETATM 2792 O HOH 65 87.332 49.393 -21.104 1.00 38.92 O HETATM 2793 O HOH 66 75.581 33.889 -15.778 1.00 35.66 O HETATM 2794 O HOH 67 71.560 42.206 -4.689 1.00 26.45 O HETATM 2795 O HOH 68 81.346 29.039 -34.033 1.00 55.01 O HETATM 2796 O HOH 69 96.361 41.370 -13.019 1.00 32.01 O HETATM 2797 O HOH 70 65.787 39.377 -5.190 1.00 27.06 O HETATM 2798 O HOH 71 82.630 46.901 -4.547 1.00 31.98 O HETATM 2799 O HOH 72 67.426 52.736 -21.526 1.00 15.08 O HETATM 2800 O HOH 73 82.311 42.211 -3.646 1.00 49.84 O HETATM 2801 O HOH 74 88.163 36.620 -19.274 1.00 37.52 O HETATM 2802 O HOH 75 82.518 49.219 -5.500 1.00 24.95 O HETATM 2803 O HOH 76 77.533 58.668 -8.559 1.00 30.58 O HETATM 2804 O HOH 77 61.702 44.841 -21.920 1.00 32.17 O HETATM 2805 O HOH 78 71.899 61.023 -20.080 1.00 17.24 O HETATM 2806 O HOH 79 89.225 44.245 -30.500 1.00 57.96 O HETATM 2807 O HOH 80 86.077 56.423 -22.249 1.00 37.78 O HETATM 2808 O HOH 81 76.897 37.940 -7.225 1.00 33.04 O HETATM 2809 O HOH 82 65.787 41.603 -24.823 1.00 34.07 O HETATM 2810 O HOH 83 74.442 34.142 -26.557 1.00 31.88 O HETATM 2811 O HOH 84 69.203 55.423 -22.381 1.00 22.75 O HETATM 2812 O HOH 85 62.165 43.255 -15.492 1.00 40.07 O HETATM 2813 O HOH 86 86.074 35.666 -26.912 1.00 33.44 O HETATM 2814 O HOH 87 74.386 64.378 -27.072 1.00 42.26 O HETATM 2815 O HOH 88 84.205 55.929 -24.320 1.00 49.86 O HETATM 2816 O HOH 89 73.430 56.360 -21.989 1.00 47.04 O HETATM 2817 O HOH 90 70.600 30.504 -35.255 1.00 60.26 O HETATM 2818 O HOH 91 95.714 51.070 -21.330 1.00 53.84 O HETATM 2819 O HOH 92 84.003 43.907 -30.980 1.00 33.18 O HETATM 2820 O HOH 93 68.590 49.865 -29.405 1.00 19.66 O HETATM 2821 O HOH 94 91.579 32.336 -14.580 1.00 55.31 O HETATM 2822 O HOH 95 77.680 49.819 -31.952 1.00 30.78 O HETATM 2823 O HOH 96 83.417 51.779 -29.934 1.00 46.26 O HETATM 2824 O HOH 97 100.318 48.675 -16.678 1.00 38.10 O HETATM 2825 O HOH 98 73.517 41.052 -35.639 1.00 44.05 O HETATM 2826 O HOH 99 77.488 29.970 -31.849 1.00 34.73 O HETATM 2827 O HOH 100 59.057 37.013 -12.535 1.00 60.59 O HETATM 2828 O HOH 101 80.751 38.443 -5.390 1.00 32.68 O HETATM 2829 O HOH 102 75.673 57.172 -21.270 1.00 40.69 O HETATM 2830 O HOH 103 81.555 43.596 -31.592 1.00 27.97 O HETATM 2831 O HOH 104 86.665 51.616 -14.250 1.00 26.19 O HETATM 2832 O HOH 105 75.485 35.148 -13.178 1.00 33.65 O HETATM 2833 O HOH 106 67.517 36.608 -24.772 1.00 43.04 O HETATM 2834 O HOH 107 84.736 54.129 -0.929 1.00 48.46 O HETATM 2835 O HOH 108 57.604 50.584 -11.437 1.00 37.94 O HETATM 2836 O HOH 109 79.129 56.370 -27.839 1.00 45.64 O HETATM 2837 O HOH 110 73.652 36.013 -7.222 1.00 42.45 O HETATM 2838 O HOH 111 59.992 48.676 -10.535 1.00 30.91 O HETATM 2839 O HOH 112 90.288 48.817 -21.913 1.00 41.47 O HETATM 2840 O HOH 113 65.849 37.837 0.759 1.00 47.02 O HETATM 2841 O HOH 114 81.210 37.477 -35.618 1.00 35.31 O HETATM 2842 O HOH 115 74.614 56.532 1.968 1.00 48.94 O HETATM 2843 O HOH 116 81.941 55.637 -26.183 1.00 52.91 O HETATM 2844 O HOH 117 63.414 42.105 -23.639 1.00 40.99 O HETATM 2845 O HOH 118 97.885 49.059 -18.365 1.00 34.52 O HETATM 2846 O HOH 119 68.825 35.828 -15.243 1.00 38.83 O HETATM 2847 O HOH 120 64.814 38.412 -8.416 1.00 43.17 O HETATM 2848 O HOH 121 75.049 56.199 -27.054 1.00 52.00 O HETATM 2849 O HOH 122 60.997 44.897 -2.768 1.00 40.68 O HETATM 2850 O HOH 123 83.815 35.881 -12.075 1.00 28.12 O HETATM 2851 O HOH 124 50.974 52.392 -16.954 1.00 50.66 O HETATM 2852 O HOH 125 85.862 57.096 -17.560 1.00 12.30 O HETATM 2853 O HOH 126 87.338 54.369 -17.579 1.00 42.82 O HETATM 2854 O HOH 127 71.262 38.001 -2.179 1.00 44.74 O HETATM 2855 O HOH 128 68.534 42.570 -29.629 1.00 44.94 O HETATM 2856 O HOH 129 66.467 42.804 -27.686 1.00 50.41 O HETATM 2857 O HOH 130 89.271 52.560 -6.422 1.00 47.11 O HETATM 2858 O HOH 131 80.435 55.952 -6.574 1.00 41.61 O HETATM 2859 O HOH 132 85.820 48.497 -31.546 1.00 60.97 O HETATM 2860 O HOH 133 69.105 54.944 -4.729 1.00 56.31 O HETATM 2861 O HOH 134 66.353 40.649 -34.545 1.00 46.91 O HETATM 2862 O HOH 135 70.415 31.003 -25.548 1.00 49.46 O HETATM 2863 O HOH 136 87.746 53.838 -26.637 1.00 55.34 O HETATM 2864 O HOH 137 58.467 50.521 -8.808 1.00 56.22 O HETATM 2865 O HOH 138 53.361 51.335 -19.309 1.00 44.03 O HETATM 2866 O HOH 139 81.373 45.000 -3.499 1.00 47.39 O HETATM 2867 O HOH 140 67.461 45.844 -30.035 1.00 54.77 O HETATM 2868 O HOH 141 55.061 49.471 -11.239 1.00 38.67 O HETATM 2869 O HOH 142 79.142 44.759 -1.746 1.00 54.67 O HETATM 2870 O HOH 143 69.765 58.593 -22.986 1.00 37.77 O HETATM 2871 O HOH 144 97.754 48.902 -20.860 1.00 51.54 O HETATM 2872 O HOH 145 68.855 36.379 -0.917 1.00 48.02 O HETATM 2873 O HOH 146 86.376 34.863 -18.573 1.00 42.99 O HETATM 2874 O HOH 147 65.512 38.326 -24.711 1.00 50.01 O HETATM 2875 O HOH 148 88.018 52.759 -12.603 1.00 43.77 O HETATM 2876 O HOH 149 89.562 34.358 -15.063 1.00 50.07 O HETATM 2877 O HOH 150 67.228 54.553 -23.464 1.00 46.91 O HETATM 2878 O HOH 151 95.563 35.406 -11.390 1.00 50.53 O HETATM 2879 O HOH 152 81.408 51.778 -32.107 1.00 52.52 O HETATM 2880 O HOH 153 90.379 38.253 -21.605 1.00 43.44 O HETATM 2881 O HOH 154 90.110 56.597 -21.530 1.00 55.73 O HETATM 2882 O HOH 155 97.637 39.081 -12.095 1.00 48.61 O HETATM 2883 O HOH 156 78.081 56.392 -5.054 1.00 37.57 O HETATM 2884 O HOH 157 77.881 35.967 -12.787 1.00 44.16 O HETATM 2885 O HOH 158 71.403 51.835 -32.649 1.00 45.77 O HETATM 2886 O HOH 159 78.196 54.464 -1.079 1.00 57.85 O HETATM 2887 O HOH 160 93.561 42.120 -22.652 1.00 50.39 O HETATM 2888 O HOH 161 70.146 35.170 -34.246 1.00 42.65 O HETATM 2889 O HOH 162 70.747 39.638 -35.127 1.00 28.02 O HETATM 2890 O HOH 163 80.088 48.455 -32.803 1.00 37.58 O HETATM 2891 O HOH 164 85.958 57.220 -9.712 1.00 47.79 O HETATM 2892 O HOH 165 65.171 36.943 -4.323 1.00 44.80 O HETATM 2893 O HOH 166 87.493 58.156 -15.711 1.00 45.73 O HETATM 2894 O HOH 167 83.041 32.174 -27.346 1.00 52.60 O HETATM 2895 O HOH 168 92.179 35.339 -18.306 1.00 51.99 O HETATM 2896 O HOH 169 89.020 55.346 -12.839 1.00 50.22 O HETATM 2897 O HOH 170 68.581 39.304 -33.142 1.00 40.99 O HETATM 2898 O HOH 171 88.431 36.419 -25.399 1.00 47.44 O HETATM 2899 O HOH 172 86.245 32.460 -24.879 1.00 44.31 O HETATM 2900 O HOH 173 88.757 33.036 -21.398 1.00 54.68 O HETATM 2901 O HOH 174 90.244 32.481 -19.052 1.00 45.50 O HETATM 2902 O HOH 175 57.991 66.401 -3.306 1.00 47.89 O HETATM 2903 O HOH 176 48.361 64.286 -31.123 1.00 55.72 O HETATM 2904 O HOH 177 46.549 75.008 -13.823 1.00 30.64 O HETATM 2905 O HOH 178 70.342 77.672 -26.924 1.00 35.68 O HETATM 2906 O HOH 179 51.268 53.296 -14.360 1.00 42.54 O HETATM 2907 O HOH 180 68.093 65.293 -3.448 1.00 44.23 O HETATM 2908 O HOH 181 67.414 80.386 -30.880 1.00 29.89 O HETATM 2909 O HOH 182 65.262 63.175 -32.191 1.00 24.75 O HETATM 2910 O HOH 183 58.194 47.282 -24.784 1.00 43.50 O HETATM 2911 O HOH 184 63.438 64.988 -1.664 1.00 36.15 O HETATM 2912 O HOH 185 70.386 59.057 -25.996 1.00 39.29 O HETATM 2913 O HOH 186 57.654 79.630 -36.506 1.00 48.37 O HETATM 2914 O HOH 187 42.434 63.868 -7.091 1.00 39.88 O HETATM 2915 O HOH 188 68.017 59.525 -25.064 1.00 29.07 O HETATM 2916 O HOH 189 50.217 60.430 -19.949 1.00 28.91 O HETATM 2917 O HOH 190 49.259 66.130 -3.767 1.00 47.24 O HETATM 2918 O HOH 191 57.679 83.045 -36.563 1.00 50.13 O HETATM 2919 O HOH 192 44.866 70.939 -11.011 1.00 33.26 O HETATM 2920 O HOH 193 65.283 83.378 -29.536 1.00 40.68 O HETATM 2921 O HOH 194 52.258 74.706 -29.563 1.00 39.90 O HETATM 2922 O HOH 195 40.710 66.703 -25.994 1.00 40.72 O HETATM 2923 O HOH 196 48.502 56.966 -5.060 1.00 40.62 O HETATM 2924 O HOH 197 57.790 74.663 -11.143 1.00 31.86 O HETATM 2925 O HOH 198 45.632 76.479 -19.662 1.00 31.79 O HETATM 2926 O HOH 199 57.223 74.045 -7.362 1.00 39.24 O HETATM 2927 O HOH 200 55.946 50.616 -19.850 1.00 30.65 O HETATM 2928 O HOH 201 46.624 71.909 -26.024 1.00 28.38 O HETATM 2929 O HOH 202 67.025 69.119 -34.910 1.00 47.42 O HETATM 2930 O HOH 203 57.189 57.071 -5.559 1.00 38.00 O HETATM 2931 O HOH 204 53.236 51.438 -11.497 1.00 45.37 O HETATM 2932 O HOH 205 61.997 68.821 -4.275 1.00 31.70 O HETATM 2933 O HOH 206 39.398 71.129 -16.799 1.00 19.65 O HETATM 2934 O HOH 207 51.838 70.341 -16.297 1.00 17.87 O HETATM 2935 O HOH 208 58.942 57.321 -29.566 1.00 47.09 O HETATM 2936 O HOH 209 45.483 68.232 -3.882 1.00 50.98 O HETATM 2937 O HOH 210 65.186 58.421 -26.188 1.00 36.51 O HETATM 2938 O HOH 211 67.251 54.667 -26.368 1.00 38.93 O HETATM 2939 O HOH 212 59.066 69.398 -34.402 1.00 30.25 O HETATM 2940 O HOH 213 77.869 63.641 -15.638 1.00 28.11 O HETATM 2941 O HOH 214 59.323 61.246 -32.130 1.00 41.32 O HETATM 2942 O HOH 215 78.451 66.527 -15.205 1.00 40.88 O HETATM 2943 O HOH 216 46.045 76.192 -8.045 1.00 39.79 O HETATM 2944 O HOH 217 53.780 75.009 -31.521 1.00 42.54 O HETATM 2945 O HOH 218 54.179 77.296 -34.414 1.00 36.93 O HETATM 2946 O HOH 219 60.998 63.022 -2.763 1.00 22.67 O HETATM 2947 O HOH 220 56.692 75.226 -17.162 1.00 20.60 O HETATM 2948 O HOH 221 70.439 67.596 -2.965 1.00 38.65 O HETATM 2949 O HOH 222 60.622 79.841 -17.083 1.00 32.36 O HETATM 2950 O HOH 223 69.371 60.387 -21.065 1.00 13.52 O HETATM 2951 O HOH 224 62.775 57.450 -9.355 1.00 45.58 O HETATM 2952 O HOH 225 53.122 57.219 -11.332 1.00 25.75 O HETATM 2953 O HOH 226 53.007 57.382 -27.137 1.00 51.56 O HETATM 2954 O HOH 227 57.869 49.370 -18.234 1.00 27.58 O HETATM 2955 O HOH 228 65.603 74.260 -33.946 1.00 29.82 O HETATM 2956 O HOH 229 55.366 81.311 -23.868 1.00 19.14 O HETATM 2957 O HOH 230 70.422 67.603 1.147 1.00 47.13 O HETATM 2958 O HOH 231 45.225 72.834 -7.198 1.00 31.29 O HETATM 2959 O HOH 232 74.853 68.453 -19.691 1.00 38.94 O HETATM 2960 O HOH 233 44.132 65.509 -26.496 1.00 39.90 O HETATM 2961 O HOH 234 65.139 80.715 -27.173 1.00 28.52 O HETATM 2962 O HOH 235 57.800 81.527 -29.144 1.00 38.07 O HETATM 2963 O HOH 236 51.864 55.215 -23.288 1.00 32.07 O HETATM 2964 O HOH 237 50.713 64.954 -21.831 1.00 22.83 O HETATM 2965 O HOH 238 41.056 61.075 -21.295 1.00 63.44 O HETATM 2966 O HOH 239 47.692 58.811 -13.169 1.00 38.40 O HETATM 2967 O HOH 240 69.621 60.888 -4.677 1.00 47.83 O HETATM 2968 O HOH 241 54.686 70.137 -32.572 1.00 24.37 O HETATM 2969 O HOH 242 49.769 63.756 -24.115 1.00 33.35 O HETATM 2970 O HOH 243 67.555 57.666 -22.488 1.00 23.94 O HETATM 2971 O HOH 244 42.341 72.226 -24.018 1.00 22.73 O HETATM 2972 O HOH 245 48.213 76.294 -21.678 1.00 33.42 O HETATM 2973 O HOH 246 43.862 62.358 -5.001 1.00 39.49 O HETATM 2974 O HOH 247 73.787 61.330 -27.332 1.00 41.44 O HETATM 2975 O HOH 248 58.026 84.743 -34.667 1.00 54.27 O HETATM 2976 O HOH 249 54.237 82.678 -12.875 1.00 34.24 O HETATM 2977 O HOH 250 60.561 57.915 -7.174 1.00 26.68 O HETATM 2978 O HOH 251 49.441 60.094 -14.469 1.00 32.52 O HETATM 2979 O HOH 252 51.948 78.033 -28.386 1.00 31.49 O HETATM 2980 O HOH 253 59.996 46.479 -20.695 1.00 35.03 O HETATM 2981 O HOH 254 64.049 52.053 -28.525 1.00 47.71 O HETATM 2982 O HOH 255 64.766 52.157 -21.187 1.00 19.01 O HETATM 2983 O HOH 256 45.249 62.005 -13.839 1.00 26.55 O HETATM 2984 O HOH 257 57.343 48.250 -21.992 1.00 44.37 O HETATM 2985 O HOH 258 57.822 76.801 -36.018 1.00 29.42 O HETATM 2986 O HOH 259 51.515 62.548 -7.918 1.00 18.16 O HETATM 2987 O HOH 260 38.766 76.476 -17.839 1.00 27.32 O HETATM 2988 O HOH 261 56.802 70.834 -2.402 1.00 46.45 O HETATM 2989 O HOH 262 46.584 75.229 -6.026 1.00 40.35 O HETATM 2990 O HOH 263 84.472 59.993 -12.537 1.00 27.64 O HETATM 2991 O HOH 264 67.445 72.491 -3.464 1.00 25.79 O HETATM 2992 O HOH 265 56.981 53.451 -10.890 1.00 31.39 O HETATM 2993 O HOH 266 52.568 72.956 -6.564 1.00 44.18 O HETATM 2994 O HOH 267 51.413 64.943 -6.781 1.00 23.09 O HETATM 2995 O HOH 268 57.489 70.424 -32.535 1.00 21.31 O HETATM 2996 O HOH 269 44.144 73.175 -13.207 1.00 37.03 O HETATM 2997 O HOH 270 61.197 71.325 -2.575 1.00 36.63 O HETATM 2998 O HOH 271 61.137 83.916 -31.273 1.00 36.57 O HETATM 2999 O HOH 272 66.540 76.947 -36.719 1.00 43.40 O HETATM 3000 O HOH 273 69.693 76.989 -22.912 1.00 37.63 O HETATM 3001 O HOH 274 49.434 73.896 -28.854 1.00 29.34 O HETATM 3002 O HOH 275 73.421 67.986 -15.309 1.00 30.32 O HETATM 3003 O HOH 276 49.175 56.672 -10.154 1.00 47.91 O HETATM 3004 O HOH 277 53.315 59.707 -28.998 1.00 24.55 O HETATM 3005 O HOH 278 73.042 69.325 -13.395 1.00 48.63 O HETATM 3006 O HOH 279 49.068 61.014 -17.535 1.00 23.28 O HETATM 3007 O HOH 280 74.669 63.712 -8.457 1.00 28.73 O HETATM 3008 O HOH 281 42.621 68.671 -14.489 1.00 38.66 O HETATM 3009 O HOH 282 61.876 70.852 -36.912 1.00 34.20 O HETATM 3010 O HOH 283 61.704 77.175 -36.952 1.00 48.93 O HETATM 3011 O HOH 284 60.678 56.120 -23.202 1.00 29.64 O HETATM 3012 O HOH 285 51.030 76.217 -13.293 1.00 20.53 O HETATM 3013 O HOH 286 61.159 64.377 -33.002 1.00 28.00 O HETATM 3014 O HOH 287 38.337 63.946 -22.911 1.00 24.86 O HETATM 3015 O HOH 288 59.145 78.417 -10.261 1.00 43.16 O HETATM 3016 O HOH 289 66.293 58.249 -2.491 1.00 42.58 O HETATM 3017 O HOH 290 51.578 69.327 -5.443 1.00 29.01 O HETATM 3018 O HOH 291 59.714 77.502 -13.057 1.00 25.26 O HETATM 3019 O HOH 292 77.123 61.526 -9.136 1.00 36.96 O HETATM 3020 O HOH 293 55.258 61.961 -32.117 1.00 40.23 O HETATM 3021 O HOH 294 58.758 59.737 -30.457 1.00 37.36 O HETATM 3022 O HOH 295 46.846 64.622 -25.124 1.00 38.45 O HETATM 3023 O HOH 296 71.679 71.945 -22.732 1.00 27.63 O HETATM 3024 O HOH 297 64.195 49.100 -28.234 1.00 49.76 O HETATM 3025 O HOH 298 65.000 62.823 0.254 1.00 48.34 O HETATM 3026 O HOH 299 67.131 73.494 5.515 1.00 54.54 O HETATM 3027 O HOH 300 57.871 53.442 -8.412 1.00 45.14 O HETATM 3028 O HOH 301 42.440 80.658 -13.893 1.00 37.10 O HETATM 3029 O HOH 302 54.391 82.848 -33.460 1.00 57.31 O HETATM 3030 O HOH 303 41.456 72.461 -13.085 1.00 43.79 O HETATM 3031 O HOH 304 46.356 78.989 -17.893 1.00 46.60 O HETATM 3032 O HOH 305 65.546 60.798 -35.484 1.00 52.30 O HETATM 3033 O HOH 306 71.173 70.851 -26.220 1.00 40.18 O HETATM 3034 O HOH 307 76.989 65.233 -7.918 1.00 52.57 O HETATM 3035 O HOH 308 49.060 58.337 -20.944 1.00 36.46 O HETATM 3036 O HOH 309 52.953 55.477 -4.992 1.00 49.59 O HETATM 3037 O HOH 310 60.146 76.054 -7.059 1.00 47.57 O HETATM 3038 O HOH 311 43.073 58.803 -6.066 1.00 52.16 O HETATM 3039 O HOH 312 74.925 76.238 2.053 1.00 51.53 O HETATM 3040 O HOH 313 62.799 57.491 -28.323 1.00 25.07 O HETATM 3041 O HOH 314 54.630 73.955 -6.581 1.00 41.59 O HETATM 3042 O HOH 315 42.556 61.694 -9.140 1.00 47.56 O HETATM 3043 O HOH 316 50.591 56.196 -21.058 1.00 28.28 O HETATM 3044 O HOH 317 65.419 56.863 -23.910 1.00 38.73 O HETATM 3045 O HOH 318 76.179 64.362 -5.664 1.00 49.04 O HETATM 3046 O HOH 319 72.721 58.718 -5.522 1.00 50.25 O HETATM 3047 O HOH 320 69.663 71.115 -28.465 1.00 46.80 O HETATM 3048 O HOH 321 44.933 59.482 -10.546 1.00 45.11 O HETATM 3049 O HOH 322 54.512 50.560 -24.483 1.00 50.19 O HETATM 3050 O HOH 323 70.308 56.815 -28.072 1.00 53.73 O HETATM 3051 O HOH 324 51.398 56.792 -25.407 1.00 40.37 O HETATM 3052 O HOH 325 53.507 80.163 -32.337 1.00 50.05 O HETATM 3053 O HOH 326 56.127 55.328 -1.260 1.00 53.41 O HETATM 3054 O HOH 327 48.894 61.396 -28.653 1.00 58.76 O HETATM 3055 O HOH 328 53.917 56.000 -9.241 1.00 40.30 O HETATM 3056 O HOH 329 39.318 64.458 -25.407 1.00 50.83 O HETATM 3057 O HOH 330 63.136 56.796 -22.598 1.00 39.58 O HETATM 3058 O HOH 331 82.122 61.919 -9.211 1.00 35.27 O HETATM 3059 O HOH 332 71.779 74.573 -23.081 1.00 48.57 O HETATM 3060 O HOH 333 63.201 79.577 -13.421 1.00 39.26 O HETATM 3061 O HOH 334 66.750 71.977 -35.644 1.00 52.05 O HETATM 3062 O HOH 335 34.429 62.049 -20.780 1.00 39.96 O HETATM 3063 O HOH 336 54.890 81.212 -30.436 1.00 50.45 O HETATM 3064 O HOH 337 52.635 73.380 -34.945 1.00 55.95 O HETATM 3065 O HOH 338 51.166 74.381 -4.617 1.00 46.96 O HETATM 3066 O HOH 339 76.067 67.562 -15.652 1.00 52.67 O HETATM 3067 O HOH 340 43.965 71.782 -4.673 1.00 49.61 O HETATM 3068 O HOH 341 59.997 46.056 -18.589 1.00 47.86 O HETATM 3069 O HOH 342 46.483 74.332 -24.560 1.00 39.84 O HETATM 3070 O HOH 343 53.773 66.529 -3.099 1.00 43.41 O HETATM 3071 O HOH 344 55.999 55.523 -7.302 1.00 36.44 O HETATM 3072 O HOH 345 59.392 70.550 -37.314 1.00 47.04 O HETATM 3073 O HOH 346 55.944 76.749 -11.084 1.00 41.35 O HETATM 3074 O HOH 347 49.380 54.514 -19.713 1.00 50.14 O HETATM 3075 O HOH 348 60.351 65.968 -2.324 1.00 46.51 O HETATM 3076 O HOH 349 71.947 66.551 -1.227 1.00 52.14 O HETATM 3077 O HOH 350 49.316 57.122 -13.304 1.00 49.92 O HETATM 3078 O HOH 351 46.904 59.336 -17.235 1.00 45.81 O HETATM 3079 O HOH 352 38.825 60.968 -22.495 1.00 47.48 O HETATM 3080 O HOH 353 61.222 64.699 -39.283 1.00 47.13 O HETATM 3081 O HOH 354 55.102 77.372 -8.945 1.00 53.10 O HETATM 3082 O HOH 355 39.798 74.363 -14.090 1.00 40.89 O HETATM 3083 O HOH 356 54.541 82.267 -8.938 1.00 38.39 O HETATM 3084 O HOH 357 43.068 57.778 -15.716 1.00 55.81 O HETATM 3085 O HOH 358 46.990 73.242 -28.460 1.00 41.71 O HETATM 3086 O HOH 359 71.910 68.814 -27.769 1.00 49.74 O HETATM 3087 O HOH 360 54.722 81.198 -28.041 1.00 48.65 O HETATM 3088 O HOH 361 43.659 73.062 -8.936 1.00 38.38 O HETATM 3089 O HOH 362 37.863 73.238 -15.647 1.00 26.09 O HETATM 3090 O HOH 363 43.721 76.703 -21.765 1.00 47.08 O HETATM 3091 O HOH 364 48.703 79.465 -9.775 1.00 48.10 O HETATM 3092 O HOH 365 57.358 62.380 -33.747 1.00 46.08 O HETATM 3093 O HOH 366 69.872 72.936 -35.729 1.00 57.46 O HETATM 3094 O HOH 367 67.414 74.771 -1.895 1.00 48.93 O HETATM 3095 O HOH 368 80.961 66.263 -6.776 1.00 42.79 O HETATM 3096 O HOH 369 83.287 64.003 -8.140 1.00 46.04 O HETATM 3097 O HOH 370 40.224 76.674 -15.301 1.00 29.88 O HETATM 3098 O HOH 371 43.717 71.499 -26.150 1.00 34.08 O HETATM 3099 O HOH 372 72.692 76.986 -26.017 1.00 55.25 O HETATM 3100 O HOH 373 45.687 59.739 -15.131 1.00 45.53 O HETATM 3101 O HOH 374 47.616 77.003 -23.836 1.00 44.45 O HETATM 3102 O HOH 375 52.321 66.763 -5.125 1.00 41.63 O HETATM 3103 O HOH 376 58.693 66.446 -34.568 1.00 38.28 O HETATM 3104 O HOH 377 53.793 75.271 -36.323 1.00 39.53 O HETATM 3105 O HOH 378 52.088 80.659 -27.045 1.00 44.73 O HETATM 3106 O HOH 379 68.736 74.870 -33.672 1.00 33.68 O HETATM 3107 O HOH 380 43.865 74.535 -24.551 1.00 36.84 O HETATM 3108 O HOH 381 41.832 69.089 -10.338 1.00 46.52 O HETATM 3109 O HOH 382 64.387 70.996 -37.673 1.00 41.29 O HETATM 3110 O HOH 383 56.652 82.556 -39.139 1.00 55.07 O HETATM 3111 O HOH 384 47.069 55.525 -23.432 1.00 55.20 O HETATM 3112 O HOH 385 61.597 43.990 -24.574 1.00 48.54 O HETATM 3113 O HOH 386 49.473 77.134 -27.759 1.00 46.12 O HETATM 3114 O HOH 387 72.647 73.148 -32.081 1.00 61.89 O HETATM 3115 O HOH 388 70.134 74.728 -31.477 1.00 45.26 O HETATM 3116 O HOH 389 70.663 77.576 -30.211 1.00 53.17 O HETATM 3117 O HOH 390 48.006 77.097 -26.012 1.00 47.24 O HETATM 3118 O HOH 391 48.795 80.317 -23.457 1.00 46.79 O HETATM 3119 O HOH 392 44.977 78.307 -24.146 1.00 49.88 O HETATM 3120 C1 UNN A 393 68.686 74.530 -6.994 1.00 0.11 C HETATM 3121 O1 UNN A 393 68.364 73.413 -6.364 1.00 -0.34 O HETATM 3122 H1 UNN A 393 67.730 72.930 -6.881 1.00 0.24 H HETATM 3123 C2 UNN A 393 67.722 75.468 -7.290 1.00 0.11 C HETATM 3124 O2 UNN A 393 66.443 75.240 -6.962 1.00 -0.34 O HETATM 3125 H2 UNN A 393 65.911 75.979 -7.234 1.00 0.24 H HETATM 3126 C3 UNN A 393 68.109 76.630 -7.940 1.00 -0.05 C HETATM 3127 C4 UNN A 393 69.444 76.840 -8.275 1.00 -0.08 C HETATM 3128 C5 UNN A 393 70.438 75.911 -7.967 1.00 -0.03 C HETATM 3129 C6 UNN A 393 71.892 76.092 -8.346 1.00 0.12 C HETATM 3130 O3 UNN A 393 72.769 75.230 -7.602 1.00 -0.38 O HETATM 3131 H4 UNN A 393 73.666 75.381 -7.875 1.00 0.21 H HETATM 3132 C7 UNN A 393 72.138 75.687 -9.820 1.00 0.00 C HETATM 3133 N1 UNN A 393 72.333 76.780 -10.839 1.00 0.24 N HETATM 3134 C8 UNN A 393 71.774 76.453 -12.160 1.00 0.00 C HETATM 3135 C9 UNN A 393 72.512 76.794 -13.445 1.00 0.00 C HETATM 3136 C17 UNN A 393 73.879 76.667 -13.600 1.00 -0.05 C HETATM 3137 C16 UNN A 393 74.487 77.000 -14.806 1.00 -0.06 C HETATM 3138 C15 UNN A 393 73.748 77.418 -15.901 1.00 -0.02 C HETATM 3139 C10 UNN A 393 72.371 77.537 -15.769 1.00 -0.03 C HETATM 3140 C11 UNN A 393 71.609 77.967 -16.838 1.00 -0.06 C HETATM 3141 C12 UNN A 393 72.231 78.260 -18.040 1.00 -0.06 C HETATM 3142 C13 UNN A 393 73.610 78.149 -18.186 1.00 -0.06 C HETATM 3143 C14 UNN A 393 74.377 77.730 -17.104 1.00 -0.06 C HETATM 3144 H14 UNN A 393 75.454 77.647 -17.196 1.00 0.06 H HETATM 3145 H13 UNN A 393 74.082 78.386 -19.133 1.00 0.06 H HETATM 3146 H12 UNN A 393 71.632 78.582 -18.884 1.00 0.06 H HETATM 3147 H11 UNN A 393 70.535 78.074 -16.737 1.00 0.06 H HETATM 3148 C19 UNN A 393 71.768 77.209 -14.560 1.00 -0.05 C HETATM 3149 H18 UNN A 393 70.689 77.276 -14.476 1.00 0.05 H HETATM 3150 H15 UNN A 393 75.565 76.931 -14.891 1.00 0.06 H HETATM 3151 H16 UNN A 393 74.482 76.305 -12.775 1.00 0.06 H HETATM 3152 H9 UNN A 393 71.621 75.364 -12.170 1.00 0.10 H HETATM 3153 H10 UNN A 393 70.800 76.961 -12.218 1.00 0.10 H HETATM 3154 H19 UNN A 393 73.322 76.948 -10.943 1.00 0.20 H HETATM 3155 H20 UNN A 393 71.884 77.617 -10.500 1.00 0.20 H HETATM 3156 H7 UNN A 393 71.271 75.092 -10.143 1.00 0.09 H HETATM 3157 H8 UNN A 393 73.041 75.060 -9.839 1.00 0.09 H HETATM 3158 H6 UNN A 393 72.170 77.144 -8.185 1.00 0.08 H HETATM 3159 C18 UNN A 393 70.019 74.761 -7.320 1.00 -0.04 C HETATM 3160 H17 UNN A 393 70.757 74.012 -7.057 1.00 0.05 H HETATM 3161 H5 UNN A 393 69.719 77.753 -8.791 1.00 0.04 H HETATM 3162 H3 UNN A 393 67.367 77.380 -8.189 1.00 0.05 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 565 564 567 2728 CONECT 653 652 655 2728 CONECT 740 739 742 2728 CONECT 764 763 2728 CONECT 1369 1370 1374 1375 1376 CONECT 1374 1369 CONECT 1375 1369 CONECT 1376 1369 CONECT 1924 1923 1926 2729 CONECT 2012 2011 2014 2729 CONECT 2099 2098 2101 2729 CONECT 2123 2122 2729 CONECT 2728 565 653 740 764 CONECT 2729 1924 2012 2099 2123 CONECT 3120 3121 3123 3159 CONECT 3121 3120 3122 CONECT 3122 3121 CONECT 3123 3120 3124 3126 CONECT 3124 3123 3125 CONECT 3125 3124 CONECT 3126 3123 3127 3162 CONECT 3127 3126 3128 3161 CONECT 3128 3127 3129 3159 CONECT 3129 3128 3130 3132 3158 CONECT 3130 3129 3131 CONECT 3131 3130 CONECT 3132 3129 3133 3156 3157 CONECT 3133 3132 3134 3154 3155 CONECT 3134 3133 3135 3152 3153 CONECT 3135 3134 3136 3148 CONECT 3136 3135 3137 3151 CONECT 3137 3136 3138 3150 CONECT 3138 3137 3139 3143 CONECT 3139 3138 3140 3148 CONECT 3140 3139 3141 3147 CONECT 3141 3140 3142 3146 CONECT 3142 3141 3143 3145 CONECT 3143 3138 3142 3144 CONECT 3144 3143 CONECT 3145 3142 CONECT 3146 3141 CONECT 3147 3140 CONECT 3148 3135 3139 3149 CONECT 3149 3148 CONECT 3150 3137 CONECT 3151 3136 CONECT 3152 3134 CONECT 3153 3134 CONECT 3154 3133 CONECT 3155 3133 CONECT 3156 3132 CONECT 3157 3132 CONECT 3158 3129 CONECT 3159 3120 3128 3160 CONECT 3160 3159 CONECT 3161 3127 CONECT 3162 3126 MASTER 0 0 0 0 0 0 0 0 3160 2 61 24 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 5yto
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5ytu
RCSB PDB
PDBbind
180aa, >5YTU_1|Chains... at 100%
6a9o
RCSB PDB
PDBbind
154aa, >6A9O_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5yto
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
superoxide dismutase-1
Ligand Name
946
EC.Number
E.C.-.-.-.-
Resolution
1.9(Å)
Affinity (Kd/Ki/IC50)
Kd=33uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) FEBS Lett. Vol. 592: pp. 1725-1737
Ligand Properties
Formula
C
1
9
H
2
0
NO
3
Molecular Weight
310.367
Exact Mass
310.144
No. of atoms
43
No. of bonds
45
Polar Surface Area
77.3
LOGP Value
2.67 (
Computed with XLOGP3
)
2.05 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 3
Canonical SMILES
O[C@H](c1ccc(c(c1)O)O)C[NH2+]Cc1ccc2c(c1)cccc2
InChI String
InChI=1S/C19H19NO3/c21-17-8-7-16(10-18(17)22)19(23)12-20-11-13-5-6-14-3-1-2-4-15(14)9-13/h1-10,19-23H,11-12H2/p+1/t19-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P00441
Entrez Gene ID
NCBI Entrez Gene ID:
6647
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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