Browse entries in the PDBbind-CN Database
HEADER 5D75_COMPLEX COMPND 5D75_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 120 PRO LYS TYR THR LYS SER VAL LEU LYS LYS GLY ASP LYS SEQRES 2 A 120 THR ASN PHE PRO LYS LYS GLY ASP VAL VAL HIS CYS TRP SEQRES 3 A 120 TYR THR GLY THR LEU GLN ASP GLY THR VAL PHE ASP THR SEQRES 4 A 120 ASN ILE GLN THR SER ALA LYS LYS LYS LYS ASN ALA LYS SEQRES 5 A 120 PRO LEU SER PHE LYS VAL GLY VAL GLY LYS VAL ILE ARG SEQRES 6 A 120 GLY TRP ASP GLU ALA LEU LEU THR MET SER LYS GLY GLU SEQRES 7 A 120 LYS ALA ARG LEU GLU ILE GLU PRO GLU TRP ALA TYR GLY SEQRES 8 A 120 LYS LYS GLY GLN PRO ASP ALA LYS ILE PRO PRO ASN ALA SEQRES 9 A 120 LYS LEU THR PHE GLU VAL GLU LEU VAL ASP ILE ASP LEU SEQRES 10 A 120 GLU HIS HIS HET FK A 5 126 ATOM 1 N PRO A 109 4.552 -30.819 17.181 1.00 24.45 N ATOM 2 CA PRO A 109 4.783 -31.166 15.782 1.00 23.81 C ATOM 3 C PRO A 109 5.274 -29.989 14.924 1.00 21.99 C ATOM 4 O PRO A 109 5.104 -28.827 15.293 1.00 22.51 O ATOM 5 CB PRO A 109 3.414 -31.671 15.303 1.00 25.59 C ATOM 6 CG PRO A 109 2.410 -31.202 16.316 1.00 27.67 C ATOM 7 CD PRO A 109 3.132 -30.570 17.476 1.00 26.59 C ATOM 8 HN2 PRO A 109 5.094 -29.961 17.405 1.00 0.00 H ATOM 9 HN1 PRO A 109 4.884 -31.603 17.778 1.00 0.00 H ATOM 10 N LYS A 110 5.869 -30.298 13.781 1.00 19.32 N ATOM 11 CA LYS A 110 6.482 -29.266 12.946 1.00 17.21 C ATOM 12 C LYS A 110 5.494 -28.621 11.949 1.00 16.69 C ATOM 13 O LYS A 110 5.801 -27.605 11.332 1.00 16.75 O ATOM 14 CB LYS A 110 7.742 -29.813 12.297 1.00 18.92 C ATOM 15 CG LYS A 110 8.833 -30.077 13.338 1.00 19.40 C ATOM 16 CD LYS A 110 10.150 -30.439 12.691 1.00 21.21 C ATOM 17 CE LYS A 110 11.217 -30.884 13.696 1.00 23.40 C ATOM 18 NZ LYS A 110 11.366 -29.863 14.765 1.00 25.64 N ATOM 19 HZ1 LYS A 110 11.652 -28.958 14.341 1.00 0.00 H ATOM 20 HZ2 LYS A 110 10.458 -29.745 15.259 1.00 0.00 H ATOM 21 HZ3 LYS A 110 12.092 -30.174 15.441 1.00 0.00 H ATOM 22 H LYS A 110 5.900 -31.291 13.473 1.00 0.00 H ATOM 23 N TYR A 111 4.320 -29.230 11.801 1.00 15.28 N ATOM 24 CA TYR A 111 3.147 -28.564 11.214 1.00 15.08 C ATOM 25 C TYR A 111 1.873 -29.124 11.877 1.00 15.87 C ATOM 26 O TYR A 111 1.899 -30.212 12.462 1.00 15.41 O ATOM 27 CB TYR A 111 3.107 -28.692 9.675 1.00 15.07 C ATOM 28 CG TYR A 111 2.633 -30.050 9.194 1.00 15.26 C ATOM 29 CD1 TYR A 111 3.499 -31.134 9.163 1.00 15.18 C ATOM 30 CD2 TYR A 111 1.293 -30.254 8.811 1.00 16.42 C ATOM 31 CE1 TYR A 111 3.070 -32.398 8.766 1.00 15.91 C ATOM 32 CE2 TYR A 111 0.839 -31.519 8.408 1.00 15.52 C ATOM 33 CZ TYR A 111 1.737 -32.585 8.386 1.00 16.35 C ATOM 34 OH TYR A 111 1.320 -33.839 8.016 1.00 15.91 O ATOM 35 HH TYR A 111 2.085 -34.466 8.058 1.00 0.00 H ATOM 36 H TYR A 111 4.228 -30.218 12.113 1.00 0.00 H ATOM 37 N THR A 112 0.776 -28.377 11.779 1.00 15.87 N ATOM 38 CA THR A 112 -0.556 -28.898 12.113 1.00 17.81 C ATOM 39 C THR A 112 -1.444 -28.757 10.884 1.00 16.87 C ATOM 40 O THR A 112 -1.237 -27.853 10.072 1.00 16.66 O ATOM 41 CB THR A 112 -1.195 -28.175 13.324 1.00 18.95 C ATOM 42 OG1 THR A 112 -1.430 -26.800 12.995 1.00 23.14 O ATOM 43 CG2 THR A 112 -0.276 -28.246 14.551 1.00 18.43 C ATOM 44 HG1 THR A 112 -2.043 -26.748 12.219 1.00 0.00 H ATOM 45 H THR A 112 0.865 -27.393 11.455 1.00 0.00 H ATOM 46 N LYS A 113 -2.403 -29.668 10.738 1.00 17.46 N ATOM 47 CA LYS A 113 -3.401 -29.592 9.666 1.00 17.51 C ATOM 48 C LYS A 113 -4.811 -29.595 10.257 1.00 19.69 C ATOM 49 O LYS A 113 -5.134 -30.447 11.082 1.00 21.30 O ATOM 50 CB LYS A 113 -3.229 -30.757 8.690 1.00 17.19 C ATOM 51 CG LYS A 113 -4.134 -30.698 7.460 1.00 16.48 C ATOM 52 CD LYS A 113 -3.916 -31.886 6.513 1.00 16.67 C ATOM 53 CE LYS A 113 -4.664 -33.118 6.987 1.00 18.00 C ATOM 54 NZ LYS A 113 -4.816 -34.115 5.913 1.00 17.43 N ATOM 55 HZ1 LYS A 113 -5.347 -33.694 5.124 1.00 0.00 H ATOM 56 HZ2 LYS A 113 -3.876 -34.411 5.581 1.00 0.00 H ATOM 57 HZ3 LYS A 113 -5.332 -34.941 6.279 1.00 0.00 H ATOM 58 H LYS A 113 -2.446 -30.462 11.408 1.00 0.00 H ATOM 59 N SER A 114 -5.634 -28.642 9.840 1.00 20.01 N ATOM 60 CA SER A 114 -7.073 -28.669 10.125 1.00 21.06 C ATOM 61 C SER A 114 -7.816 -28.789 8.805 1.00 19.67 C ATOM 62 O SER A 114 -7.608 -27.968 7.897 1.00 20.07 O ATOM 63 CB SER A 114 -7.512 -27.381 10.837 1.00 23.86 C ATOM 64 OG SER A 114 -6.638 -27.102 11.917 1.00 26.91 O ATOM 65 HG SER A 114 -5.717 -26.987 11.573 1.00 0.00 H ATOM 66 H SER A 114 -5.246 -27.848 9.292 1.00 0.00 H ATOM 67 N VAL A 115 -8.696 -29.781 8.711 1.00 19.80 N ATOM 68 CA VAL A 115 -9.468 -30.015 7.484 1.00 19.65 C ATOM 69 C VAL A 115 -10.630 -29.039 7.418 1.00 20.42 C ATOM 70 O VAL A 115 -11.454 -28.997 8.330 1.00 21.41 O ATOM 71 CB VAL A 115 -9.969 -31.477 7.403 1.00 19.48 C ATOM 72 CG1 VAL A 115 -10.822 -31.711 6.150 1.00 18.37 C ATOM 73 CG2 VAL A 115 -8.792 -32.442 7.443 1.00 20.06 C ATOM 74 H VAL A 115 -8.842 -30.408 9.528 1.00 0.00 H ATOM 75 N LEU A 116 -10.656 -28.251 6.345 1.00 21.11 N ATOM 76 CA LEU A 116 -11.708 -27.278 6.049 1.00 22.42 C ATOM 77 C LEU A 116 -12.788 -27.851 5.132 1.00 24.87 C ATOM 78 O LEU A 116 -13.957 -27.477 5.236 1.00 24.69 O ATOM 79 CB LEU A 116 -11.111 -26.024 5.396 1.00 23.00 C ATOM 80 CG LEU A 116 -10.096 -25.214 6.232 1.00 22.23 C ATOM 81 CD1 LEU A 116 -9.516 -24.074 5.418 1.00 21.43 C ATOM 82 CD2 LEU A 116 -10.726 -24.708 7.523 1.00 24.21 C ATOM 83 H LEU A 116 -9.871 -28.333 5.668 1.00 0.00 H ATOM 84 N LYS A 117 -12.388 -28.737 4.221 1.00 24.16 N ATOM 85 CA LYS A 117 -13.320 -29.459 3.360 1.00 25.22 C ATOM 86 C LYS A 117 -12.730 -30.849 3.189 1.00 23.99 C ATOM 87 O LYS A 117 -11.582 -30.970 2.754 1.00 21.66 O ATOM 88 CB LYS A 117 -13.449 -28.744 2.011 1.00 26.20 C ATOM 89 CG LYS A 117 -14.288 -29.473 0.953 1.00 30.12 C ATOM 90 CD LYS A 117 -14.613 -28.563 -0.220 1.00 33.27 C ATOM 91 CE LYS A 117 -13.428 -28.385 -1.159 1.00 37.95 C ATOM 92 NZ LYS A 117 -13.591 -27.214 -2.070 1.00 42.70 N ATOM 93 HZ1 LYS A 117 -14.444 -27.344 -2.651 1.00 0.00 H ATOM 94 HZ2 LYS A 117 -13.685 -26.347 -1.504 1.00 0.00 H ATOM 95 HZ3 LYS A 117 -12.758 -27.138 -2.688 1.00 0.00 H ATOM 96 H LYS A 117 -11.370 -28.922 4.119 1.00 0.00 H ATOM 97 N LYS A 118 -13.507 -31.885 3.526 1.00 23.80 N ATOM 98 CA LYS A 118 -13.047 -33.281 3.384 1.00 23.72 C ATOM 99 C LYS A 118 -12.762 -33.622 1.931 1.00 22.58 C ATOM 100 O LYS A 118 -13.445 -33.134 1.013 1.00 22.35 O ATOM 101 CB LYS A 118 -14.048 -34.280 3.963 1.00 27.20 C ATOM 102 CG LYS A 118 -14.099 -34.309 5.482 1.00 33.21 C ATOM 103 CD LYS A 118 -14.847 -35.537 6.006 1.00 40.27 C ATOM 104 CE LYS A 118 -16.362 -35.347 5.976 1.00 43.06 C ATOM 105 NZ LYS A 118 -17.085 -36.529 6.541 1.00 49.15 N ATOM 106 HZ1 LYS A 118 -16.852 -37.375 5.984 1.00 0.00 H ATOM 107 HZ2 LYS A 118 -16.794 -36.672 7.529 1.00 0.00 H ATOM 108 HZ3 LYS A 118 -18.110 -36.358 6.501 1.00 0.00 H ATOM 109 H LYS A 118 -14.461 -31.702 3.898 1.00 0.00 H ATOM 110 N GLY A 119 -11.738 -34.445 1.713 1.00 19.65 N ATOM 111 CA GLY A 119 -11.479 -34.942 0.370 1.00 19.98 C ATOM 112 C GLY A 119 -12.239 -36.252 0.199 1.00 19.06 C ATOM 113 O GLY A 119 -13.126 -36.565 1.000 1.00 18.80 O ATOM 114 H GLY A 119 -11.124 -34.732 2.502 1.00 0.00 H ATOM 115 N ASP A 120 -11.830 -37.053 -0.780 1.00 18.39 N ATOM 116 CA ASP A 120 -12.543 -38.306 -1.073 1.00 17.73 C ATOM 117 C ASP A 120 -12.173 -39.472 -0.147 1.00 18.48 C ATOM 118 O ASP A 120 -12.755 -40.565 -0.252 1.00 17.88 O ATOM 119 CB ASP A 120 -12.431 -38.674 -2.565 1.00 17.65 C ATOM 120 CG ASP A 120 -11.007 -38.944 -3.020 1.00 17.07 C ATOM 121 OD1 ASP A 120 -10.129 -39.286 -2.194 1.00 16.52 O ATOM 122 OD2 ASP A 120 -10.762 -38.834 -4.238 1.00 18.28 O ATOM 123 H ASP A 120 -10.997 -36.791 -1.345 1.00 0.00 H ATOM 124 N LYS A 121 -11.220 -39.240 0.767 1.00 17.75 N ATOM 125 CA LYS A 121 -10.727 -40.258 1.709 1.00 18.97 C ATOM 126 C LYS A 121 -10.302 -41.551 0.995 1.00 17.66 C ATOM 127 O LYS A 121 -10.330 -42.627 1.566 1.00 18.51 O ATOM 128 CB LYS A 121 -11.767 -40.543 2.827 1.00 22.42 C ATOM 129 CG LYS A 121 -12.351 -39.286 3.470 1.00 27.36 C ATOM 130 CD LYS A 121 -13.480 -39.592 4.452 1.00 32.48 C ATOM 131 CE LYS A 121 -13.019 -39.469 5.897 1.00 36.39 C ATOM 132 NZ LYS A 121 -14.171 -39.544 6.850 1.00 42.69 N ATOM 133 HZ1 LYS A 121 -14.836 -38.770 6.650 1.00 0.00 H ATOM 134 HZ2 LYS A 121 -14.655 -40.457 6.735 1.00 0.00 H ATOM 135 HZ3 LYS A 121 -13.819 -39.457 7.825 1.00 0.00 H ATOM 136 H LYS A 121 -10.806 -38.287 0.813 1.00 0.00 H ATOM 137 N THR A 122 -9.908 -41.430 -0.268 1.00 16.06 N ATOM 138 CA THR A 122 -9.641 -42.588 -1.097 1.00 16.01 C ATOM 139 C THR A 122 -8.310 -42.447 -1.823 1.00 14.58 C ATOM 140 O THR A 122 -7.541 -43.398 -1.895 1.00 14.91 O ATOM 141 CB THR A 122 -10.773 -42.774 -2.152 1.00 15.91 C ATOM 142 OG1 THR A 122 -12.052 -42.747 -1.502 1.00 16.61 O ATOM 143 CG2 THR A 122 -10.603 -44.081 -2.912 1.00 16.20 C ATOM 144 HG1 THR A 122 -12.170 -41.877 -1.044 1.00 0.00 H ATOM 145 H THR A 122 -9.788 -40.479 -0.672 1.00 0.00 H ATOM 146 N ASN A 123 -8.066 -41.276 -2.400 1.00 13.92 N ATOM 147 CA ASN A 123 -6.893 -41.044 -3.236 1.00 13.72 C ATOM 148 C ASN A 123 -5.952 -40.110 -2.500 1.00 13.48 C ATOM 149 O ASN A 123 -6.251 -38.929 -2.371 1.00 13.45 O ATOM 150 CB ASN A 123 -7.330 -40.389 -4.534 1.00 14.71 C ATOM 151 CG ASN A 123 -8.251 -41.284 -5.341 1.00 16.71 C ATOM 152 OD1 ASN A 123 -7.891 -42.404 -5.653 1.00 18.63 O ATOM 153 ND2 ASN A 123 -9.437 -40.803 -5.649 1.00 16.24 N ATOM 154 HD22 ASN A 123 -9.698 -39.839 -5.360 1.00 0.00 H ATOM 155 HD21 ASN A 123 -10.113 -41.387 -6.182 1.00 0.00 H ATOM 156 H ASN A 123 -8.736 -40.495 -2.250 1.00 0.00 H ATOM 157 N PHE A 124 -4.837 -40.654 -2.023 1.00 12.81 N ATOM 158 CA PHE A 124 -3.797 -39.895 -1.297 1.00 13.22 C ATOM 159 C PHE A 124 -2.546 -39.885 -2.163 1.00 13.11 C ATOM 160 O PHE A 124 -2.181 -40.943 -2.679 1.00 13.88 O ATOM 161 CB PHE A 124 -3.455 -40.596 0.022 1.00 13.17 C ATOM 162 CG PHE A 124 -4.600 -40.635 0.998 1.00 13.88 C ATOM 163 CD1 PHE A 124 -5.549 -41.663 0.944 1.00 13.88 C ATOM 164 CD2 PHE A 124 -4.717 -39.661 1.996 1.00 13.67 C ATOM 165 CE1 PHE A 124 -6.601 -41.699 1.854 1.00 13.83 C ATOM 166 CE2 PHE A 124 -5.772 -39.693 2.907 1.00 14.01 C ATOM 167 CZ PHE A 124 -6.711 -40.707 2.831 1.00 13.77 C ATOM 168 H PHE A 124 -4.688 -41.673 -2.169 1.00 0.00 H ATOM 169 N PRO A 125 -1.872 -38.715 -2.307 1.00 13.53 N ATOM 170 CA PRO A 125 -0.629 -38.673 -3.066 1.00 13.44 C ATOM 171 C PRO A 125 0.439 -39.559 -2.406 1.00 14.49 C ATOM 172 O PRO A 125 0.504 -39.652 -1.166 1.00 14.20 O ATOM 173 CB PRO A 125 -0.213 -37.191 -3.005 1.00 14.14 C ATOM 174 CG PRO A 125 -1.434 -36.446 -2.557 1.00 13.42 C ATOM 175 CD PRO A 125 -2.135 -37.421 -1.646 1.00 12.85 C ATOM 176 N LYS A 126 1.237 -40.204 -3.249 1.00 14.97 N ATOM 177 CA LYS A 126 2.414 -40.950 -2.842 1.00 16.19 C ATOM 178 C LYS A 126 3.645 -40.196 -3.330 1.00 14.98 C ATOM 179 O LYS A 126 3.559 -39.439 -4.296 1.00 13.93 O ATOM 180 CB LYS A 126 2.368 -42.339 -3.490 1.00 18.34 C ATOM 181 CG LYS A 126 1.206 -43.202 -3.012 1.00 22.64 C ATOM 182 CD LYS A 126 1.078 -44.438 -3.900 1.00 26.81 C ATOM 183 CE LYS A 126 0.721 -45.710 -3.132 1.00 31.07 C ATOM 184 NZ LYS A 126 -0.516 -45.619 -2.297 1.00 34.55 N ATOM 185 HZ1 LYS A 126 -0.400 -44.866 -1.589 1.00 0.00 H ATOM 186 HZ2 LYS A 126 -1.329 -45.401 -2.907 1.00 0.00 H ATOM 187 HZ3 LYS A 126 -0.676 -46.527 -1.816 1.00 0.00 H ATOM 188 H LYS A 126 1.005 -40.173 -4.262 1.00 0.00 H ATOM 189 N LYS A 127 4.790 -40.413 -2.682 1.00 15.09 N ATOM 190 CA LYS A 127 6.049 -39.797 -3.140 1.00 16.09 C ATOM 191 C LYS A 127 6.253 -40.034 -4.633 1.00 15.93 C ATOM 192 O LYS A 127 6.106 -41.162 -5.119 1.00 15.56 O ATOM 193 CB LYS A 127 7.246 -40.320 -2.331 1.00 18.71 C ATOM 194 CG LYS A 127 7.180 -39.923 -0.864 1.00 22.72 C ATOM 195 CD LYS A 127 8.076 -40.795 -0.001 1.00 26.35 C ATOM 196 CE LYS A 127 7.431 -40.975 1.368 1.00 29.71 C ATOM 197 NZ LYS A 127 8.406 -40.591 2.424 1.00 33.01 N ATOM 198 HZ1 LYS A 127 9.249 -41.196 2.353 1.00 0.00 H ATOM 199 HZ2 LYS A 127 8.680 -39.596 2.295 1.00 0.00 H ATOM 200 HZ3 LYS A 127 7.968 -40.713 3.359 1.00 0.00 H ATOM 201 H LYS A 127 4.795 -41.025 -1.842 1.00 0.00 H ATOM 202 N GLY A 128 6.545 -38.967 -5.383 1.00 15.23 N ATOM 203 CA GLY A 128 6.721 -39.129 -6.812 1.00 15.87 C ATOM 204 C GLY A 128 5.494 -38.798 -7.637 1.00 15.56 C ATOM 205 O GLY A 128 5.635 -38.504 -8.811 1.00 16.26 O ATOM 206 H GLY A 128 6.645 -38.029 -4.945 1.00 0.00 H ATOM 207 N ASP A 129 4.297 -38.818 -7.042 1.00 14.62 N ATOM 208 CA ASP A 129 3.097 -38.329 -7.760 1.00 14.69 C ATOM 209 C ASP A 129 3.172 -36.820 -8.033 1.00 14.59 C ATOM 210 O ASP A 129 3.903 -36.084 -7.358 1.00 13.79 O ATOM 211 CB ASP A 129 1.801 -38.629 -6.991 1.00 14.66 C ATOM 212 CG ASP A 129 1.488 -40.102 -6.895 1.00 15.29 C ATOM 213 OD1 ASP A 129 2.048 -40.901 -7.676 1.00 15.37 O ATOM 214 OD2 ASP A 129 0.630 -40.451 -6.056 1.00 14.69 O ATOM 215 H ASP A 129 4.208 -39.179 -6.071 1.00 0.00 H ATOM 216 N VAL A 130 2.418 -36.361 -9.028 1.00 14.56 N ATOM 217 CA VAL A 130 2.258 -34.926 -9.274 1.00 14.20 C ATOM 218 C VAL A 130 0.917 -34.476 -8.699 1.00 14.12 C ATOM 219 O VAL A 130 -0.123 -35.110 -8.933 1.00 14.33 O ATOM 220 CB VAL A 130 2.428 -34.579 -10.792 1.00 15.65 C ATOM 221 CG1 VAL A 130 2.119 -33.102 -11.077 1.00 15.95 C ATOM 222 CG2 VAL A 130 3.847 -34.900 -11.226 1.00 16.12 C ATOM 223 H VAL A 130 1.929 -37.039 -9.647 1.00 0.00 H ATOM 224 N VAL A 131 0.938 -33.403 -7.910 1.00 13.02 N ATOM 225 CA VAL A 131 -0.276 -32.893 -7.264 1.00 12.99 C ATOM 226 C VAL A 131 -0.579 -31.534 -7.886 1.00 13.06 C ATOM 227 O VAL A 131 0.316 -30.893 -8.443 1.00 12.40 O ATOM 228 CB VAL A 131 -0.150 -32.810 -5.722 1.00 13.38 C ATOM 229 CG1 VAL A 131 0.021 -34.216 -5.129 1.00 14.00 C ATOM 230 CG2 VAL A 131 1.033 -31.953 -5.308 1.00 13.25 C ATOM 231 H VAL A 131 1.841 -32.913 -7.747 1.00 0.00 H ATOM 232 N HIS A 132 -1.843 -31.139 -7.791 1.00 12.95 N ATOM 233 CA HIS A 132 -2.377 -29.915 -8.384 1.00 14.41 C ATOM 234 C HIS A 132 -3.147 -29.212 -7.282 1.00 14.02 C ATOM 235 O HIS A 132 -4.112 -29.780 -6.740 1.00 13.88 O ATOM 236 CB HIS A 132 -3.293 -30.265 -9.568 1.00 14.62 C ATOM 237 CG HIS A 132 -2.591 -31.020 -10.648 1.00 15.85 C ATOM 238 ND1 HIS A 132 -1.925 -30.394 -11.680 1.00 17.15 N ATOM 239 CD2 HIS A 132 -2.422 -32.352 -10.844 1.00 16.08 C ATOM 240 CE1 HIS A 132 -1.362 -31.308 -12.456 1.00 17.53 C ATOM 241 NE2 HIS A 132 -1.648 -32.503 -11.969 1.00 16.75 N ATOM 242 H HIS A 132 -2.499 -31.743 -7.257 1.00 0.00 H ATOM 243 N CYS A 133 -2.694 -27.996 -6.946 1.00 14.80 N ATOM 244 CA CYS A 133 -3.114 -27.272 -5.739 1.00 14.58 C ATOM 245 C CYS A 133 -3.490 -25.802 -5.969 1.00 13.71 C ATOM 246 O CYS A 133 -2.812 -25.103 -6.731 1.00 14.21 O ATOM 247 CB CYS A 133 -1.981 -27.289 -4.692 1.00 15.01 C ATOM 248 SG CYS A 133 -1.622 -28.943 -4.040 1.00 16.92 S ATOM 249 H CYS A 133 -2.005 -27.539 -7.577 1.00 0.00 H ATOM 250 N TRP A 134 -4.534 -25.356 -5.270 1.00 14.02 N ATOM 251 CA TRP A 134 -4.816 -23.911 -5.051 1.00 15.18 C ATOM 252 C TRP A 134 -4.378 -23.567 -3.637 1.00 14.51 C ATOM 253 O TRP A 134 -4.628 -24.354 -2.712 1.00 14.58 O ATOM 254 CB TRP A 134 -6.332 -23.597 -5.138 1.00 16.03 C ATOM 255 CG TRP A 134 -6.925 -23.901 -6.470 1.00 18.42 C ATOM 256 CD1 TRP A 134 -7.852 -24.860 -6.750 1.00 20.21 C ATOM 257 CD2 TRP A 134 -6.625 -23.249 -7.714 1.00 19.23 C ATOM 258 NE1 TRP A 134 -8.143 -24.868 -8.104 1.00 21.36 N ATOM 259 CE2 TRP A 134 -7.411 -23.882 -8.717 1.00 20.76 C ATOM 260 CE3 TRP A 134 -5.752 -22.201 -8.090 1.00 20.48 C ATOM 261 CZ2 TRP A 134 -7.374 -23.481 -10.070 1.00 21.69 C ATOM 262 CZ3 TRP A 134 -5.708 -21.806 -9.444 1.00 20.99 C ATOM 263 CH2 TRP A 134 -6.512 -22.461 -10.417 1.00 20.54 C ATOM 264 HE1 TRP A 134 -8.806 -25.514 -8.578 1.00 0.00 H ATOM 265 H TRP A 134 -5.185 -26.054 -4.856 1.00 0.00 H ATOM 266 N TYR A 135 -3.809 -22.380 -3.447 1.00 13.73 N ATOM 267 CA TYR A 135 -3.343 -22.014 -2.108 1.00 13.92 C ATOM 268 C TYR A 135 -3.418 -20.534 -1.809 1.00 14.42 C ATOM 269 O TYR A 135 -3.401 -19.718 -2.740 1.00 13.34 O ATOM 270 CB TYR A 135 -1.907 -22.502 -1.889 1.00 13.44 C ATOM 271 CG TYR A 135 -0.889 -21.746 -2.692 1.00 13.48 C ATOM 272 CD1 TYR A 135 -0.540 -22.162 -3.989 1.00 13.61 C ATOM 273 CD2 TYR A 135 -0.261 -20.612 -2.159 1.00 13.56 C ATOM 274 CE1 TYR A 135 0.380 -21.456 -4.741 1.00 14.08 C ATOM 275 CE2 TYR A 135 0.658 -19.888 -2.910 1.00 13.62 C ATOM 276 CZ TYR A 135 0.974 -20.325 -4.189 1.00 13.71 C ATOM 277 OH TYR A 135 1.901 -19.643 -4.910 1.00 14.79 O ATOM 278 HH TYR A 135 1.598 -18.709 -5.035 1.00 0.00 H ATOM 279 H TYR A 135 -3.696 -21.718 -4.241 1.00 0.00 H ATOM 280 N THR A 136 -3.468 -20.216 -0.501 1.00 14.67 N ATOM 281 CA THR A 136 -3.248 -18.853 0.004 1.00 15.20 C ATOM 282 C THR A 136 -2.308 -18.956 1.200 1.00 15.00 C ATOM 283 O THR A 136 -2.575 -19.714 2.131 1.00 14.59 O ATOM 284 CB THR A 136 -4.566 -18.199 0.453 1.00 15.85 C ATOM 285 OG1 THR A 136 -5.443 -18.147 -0.668 1.00 15.47 O ATOM 286 CG2 THR A 136 -4.336 -16.751 0.982 1.00 16.06 C ATOM 287 HG1 THR A 136 -5.025 -17.611 -1.388 1.00 0.00 H ATOM 288 H THR A 136 -3.672 -20.971 0.185 1.00 0.00 H ATOM 289 N GLY A 137 -1.229 -18.181 1.161 1.00 15.12 N ATOM 290 CA GLY A 137 -0.267 -18.120 2.264 1.00 15.01 C ATOM 291 C GLY A 137 -0.395 -16.840 3.076 1.00 15.48 C ATOM 292 O GLY A 137 -0.440 -15.714 2.510 1.00 15.06 O ATOM 293 H GLY A 137 -1.062 -17.597 0.317 1.00 0.00 H ATOM 294 N THR A 138 -0.427 -17.002 4.393 1.00 15.00 N ATOM 295 CA THR A 138 -0.420 -15.851 5.293 1.00 15.91 C ATOM 296 C THR A 138 0.618 -15.942 6.416 1.00 15.62 C ATOM 297 O THR A 138 0.988 -17.035 6.883 1.00 14.78 O ATOM 298 CB THR A 138 -1.814 -15.616 5.935 1.00 16.24 C ATOM 299 OG1 THR A 138 -2.244 -16.817 6.579 1.00 17.82 O ATOM 300 CG2 THR A 138 -2.847 -15.253 4.898 1.00 17.42 C ATOM 301 HG1 THR A 138 -2.304 -17.545 5.911 1.00 0.00 H ATOM 302 H THR A 138 -0.458 -17.963 4.790 1.00 0.00 H ATOM 303 N LEU A 139 1.065 -14.771 6.867 1.00 15.79 N ATOM 304 CA LEU A 139 1.841 -14.660 8.107 1.00 16.18 C ATOM 305 C LEU A 139 0.923 -14.740 9.323 1.00 16.51 C ATOM 306 O LEU A 139 -0.297 -14.611 9.182 1.00 15.87 O ATOM 307 CB LEU A 139 2.622 -13.341 8.130 1.00 16.43 C ATOM 308 CG LEU A 139 3.631 -13.060 7.012 1.00 17.19 C ATOM 309 CD1 LEU A 139 4.349 -11.749 7.316 1.00 19.00 C ATOM 310 CD2 LEU A 139 4.615 -14.222 6.818 1.00 18.30 C ATOM 311 H LEU A 139 0.857 -13.909 6.323 1.00 0.00 H ATOM 312 N GLN A 140 1.497 -14.932 10.517 1.00 17.54 N ATOM 313 CA GLN A 140 0.659 -15.053 11.729 1.00 20.61 C ATOM 314 C GLN A 140 -0.138 -13.790 12.062 1.00 21.72 C ATOM 315 O GLN A 140 -1.188 -13.869 12.709 1.00 22.73 O ATOM 316 CB GLN A 140 1.466 -15.561 12.934 1.00 21.79 C ATOM 317 CG GLN A 140 1.991 -16.985 12.744 1.00 23.17 C ATOM 318 CD GLN A 140 0.967 -17.951 12.160 1.00 25.01 C ATOM 319 OE1 GLN A 140 1.077 -18.388 10.990 1.00 25.66 O ATOM 320 NE2 GLN A 140 -0.041 -18.286 12.955 1.00 23.93 N ATOM 321 HE22 GLN A 140 -0.093 -17.900 13.919 1.00 0.00 H ATOM 322 HE21 GLN A 140 -0.779 -18.935 12.614 1.00 0.00 H ATOM 323 H GLN A 140 2.532 -14.996 10.592 1.00 0.00 H ATOM 324 N ASP A 141 0.351 -12.649 11.584 1.00 24.21 N ATOM 325 CA ASP A 141 -0.317 -11.363 11.784 1.00 27.88 C ATOM 326 C ASP A 141 -1.420 -11.126 10.760 1.00 27.56 C ATOM 327 O ASP A 141 -2.075 -10.083 10.803 1.00 29.58 O ATOM 328 CB ASP A 141 0.691 -10.200 11.776 1.00 30.03 C ATOM 329 CG ASP A 141 1.211 -9.849 10.371 1.00 32.52 C ATOM 330 OD1 ASP A 141 0.845 -10.504 9.360 1.00 30.38 O ATOM 331 OD2 ASP A 141 2.008 -8.887 10.286 1.00 34.05 O ATOM 332 H ASP A 141 1.242 -12.672 11.048 1.00 0.00 H ATOM 333 N GLY A 142 -1.600 -12.077 9.841 1.00 25.89 N ATOM 334 CA GLY A 142 -2.694 -12.052 8.868 1.00 25.00 C ATOM 335 C GLY A 142 -2.375 -11.525 7.474 1.00 23.80 C ATOM 336 O GLY A 142 -3.221 -11.560 6.581 1.00 24.87 O ATOM 337 H GLY A 142 -0.932 -12.873 9.815 1.00 0.00 H ATOM 338 N THR A 143 -1.160 -11.026 7.291 1.00 24.07 N ATOM 339 CA THR A 143 -0.674 -10.556 5.995 1.00 24.51 C ATOM 340 C THR A 143 -0.634 -11.697 4.987 1.00 23.72 C ATOM 341 O THR A 143 0.005 -12.734 5.246 1.00 20.87 O ATOM 342 CB THR A 143 0.743 -9.986 6.127 1.00 26.87 C ATOM 343 OG1 THR A 143 0.749 -9.006 7.169 1.00 29.07 O ATOM 344 CG2 THR A 143 1.211 -9.359 4.824 1.00 26.85 C ATOM 345 HG1 THR A 143 0.476 -9.430 8.021 1.00 0.00 H ATOM 346 H THR A 143 -0.522 -10.966 8.110 1.00 0.00 H ATOM 347 N VAL A 144 -1.309 -11.493 3.857 1.00 22.21 N ATOM 348 CA VAL A 144 -1.287 -12.461 2.760 1.00 21.86 C ATOM 349 C VAL A 144 -0.024 -12.190 1.945 1.00 20.83 C ATOM 350 O VAL A 144 0.127 -11.102 1.374 1.00 21.22 O ATOM 351 CB VAL A 144 -2.548 -12.376 1.849 1.00 22.20 C ATOM 352 CG1 VAL A 144 -2.438 -13.382 0.716 1.00 22.79 C ATOM 353 CG2 VAL A 144 -3.830 -12.647 2.638 1.00 22.40 C ATOM 354 H VAL A 144 -1.867 -10.622 3.752 1.00 0.00 H ATOM 355 N PHE A 145 0.896 -13.154 1.913 1.00 17.26 N ATOM 356 CA PHE A 145 2.123 -12.979 1.133 1.00 17.46 C ATOM 357 C PHE A 145 2.005 -13.552 -0.272 1.00 17.49 C ATOM 358 O PHE A 145 2.770 -13.181 -1.158 1.00 18.17 O ATOM 359 CB PHE A 145 3.374 -13.526 1.855 1.00 16.51 C ATOM 360 CG PHE A 145 3.286 -14.988 2.218 1.00 16.08 C ATOM 361 CD1 PHE A 145 3.565 -15.990 1.260 1.00 16.00 C ATOM 362 CD2 PHE A 145 2.945 -15.375 3.526 1.00 15.94 C ATOM 363 CE1 PHE A 145 3.493 -17.346 1.613 1.00 15.57 C ATOM 364 CE2 PHE A 145 2.878 -16.730 3.884 1.00 15.70 C ATOM 365 CZ PHE A 145 3.156 -17.714 2.920 1.00 15.13 C ATOM 366 H PHE A 145 0.742 -14.035 2.444 1.00 0.00 H ATOM 367 N ASP A 146 1.059 -14.462 -0.477 1.00 18.10 N ATOM 368 CA ASP A 146 0.875 -15.070 -1.799 1.00 19.81 C ATOM 369 C ASP A 146 -0.421 -15.805 -1.895 1.00 19.45 C ATOM 370 O ASP A 146 -0.970 -16.301 -0.899 1.00 19.89 O ATOM 371 CB ASP A 146 2.009 -16.046 -2.125 1.00 20.18 C ATOM 372 CG ASP A 146 2.107 -16.398 -3.614 1.00 23.42 C ATOM 373 OD1 ASP A 146 1.511 -15.702 -4.482 1.00 24.37 O ATOM 374 OD2 ASP A 146 2.830 -17.375 -3.929 1.00 22.78 O ATOM 375 H ASP A 146 0.441 -14.747 0.310 1.00 0.00 H ATOM 376 N THR A 147 -0.912 -15.868 -3.127 1.00 20.41 N ATOM 377 CA THR A 147 -1.987 -16.763 -3.496 1.00 20.35 C ATOM 378 C THR A 147 -1.879 -17.073 -4.988 1.00 20.24 C ATOM 379 O THR A 147 -1.394 -16.246 -5.785 1.00 21.42 O ATOM 380 CB THR A 147 -3.376 -16.198 -3.120 1.00 20.65 C ATOM 381 OG1 THR A 147 -4.371 -17.158 -3.455 1.00 21.07 O ATOM 382 CG2 THR A 147 -3.687 -14.853 -3.868 1.00 22.23 C ATOM 383 HG1 THR A 147 -4.203 -17.995 -2.953 1.00 0.00 H ATOM 384 H THR A 147 -0.507 -15.248 -3.857 1.00 0.00 H ATOM 385 N ASN A 148 -2.281 -18.272 -5.382 1.00 19.17 N ATOM 386 CA ASN A 148 -2.401 -18.524 -6.795 1.00 19.43 C ATOM 387 C ASN A 148 -3.870 -18.493 -7.222 1.00 20.39 C ATOM 388 O ASN A 148 -4.191 -18.844 -8.356 1.00 21.72 O ATOM 389 CB ASN A 148 -1.684 -19.803 -7.239 1.00 17.60 C ATOM 390 CG ASN A 148 -2.372 -21.066 -6.758 1.00 15.70 C ATOM 391 OD1 ASN A 148 -3.229 -21.036 -5.878 1.00 15.04 O ATOM 392 ND2 ASN A 148 -1.989 -22.189 -7.344 1.00 15.29 N ATOM 393 HD22 ASN A 148 -1.259 -22.166 -8.085 1.00 0.00 H ATOM 394 HD21 ASN A 148 -2.418 -23.094 -7.064 1.00 0.00 H ATOM 395 H ASN A 148 -2.505 -19.013 -4.688 1.00 0.00 H ATOM 396 N ILE A 149 -4.751 -18.096 -6.307 1.00 21.23 N ATOM 397 CA ILE A 149 -6.173 -17.970 -6.622 1.00 23.80 C ATOM 398 C ILE A 149 -6.402 -16.609 -7.301 1.00 26.03 C ATOM 399 O ILE A 149 -6.279 -15.553 -6.665 1.00 25.47 O ATOM 400 CB ILE A 149 -7.064 -18.168 -5.385 1.00 24.47 C ATOM 401 CG1 ILE A 149 -6.840 -19.575 -4.816 1.00 25.66 C ATOM 402 CG2 ILE A 149 -8.544 -17.964 -5.743 1.00 25.11 C ATOM 403 CD1 ILE A 149 -7.382 -19.780 -3.412 1.00 25.92 C ATOM 404 H ILE A 149 -4.421 -17.870 -5.347 1.00 0.00 H ATOM 405 N GLN A 150 -6.708 -16.645 -8.597 1.00 29.81 N ATOM 406 CA GLN A 150 -6.823 -15.407 -9.391 1.00 33.41 C ATOM 407 C GLN A 150 -8.130 -14.684 -9.096 1.00 35.32 C ATOM 408 O GLN A 150 -9.195 -15.305 -9.070 1.00 36.66 O ATOM 409 CB GLN A 150 -6.673 -15.681 -10.892 1.00 35.66 C ATOM 410 CG GLN A 150 -5.341 -16.318 -11.299 1.00 40.94 C ATOM 411 CD GLN A 150 -4.098 -15.543 -10.857 1.00 43.09 C ATOM 412 OE1 GLN A 150 -4.043 -14.320 -10.962 1.00 44.85 O ATOM 413 NE2 GLN A 150 -3.088 -16.266 -10.374 1.00 42.90 N ATOM 414 HE22 GLN A 150 -3.176 -17.300 -10.302 1.00 0.00 H ATOM 415 HE21 GLN A 150 -2.212 -15.796 -10.069 1.00 0.00 H ATOM 416 H GLN A 150 -6.869 -17.563 -9.058 1.00 0.00 H ATOM 417 N THR A 151 -8.034 -13.378 -8.848 1.00 36.55 N ATOM 418 CA THR A 151 -9.219 -12.565 -8.519 1.00 37.99 C ATOM 419 C THR A 151 -9.702 -11.655 -9.667 1.00 40.92 C ATOM 420 O THR A 151 -10.831 -11.165 -9.619 1.00 42.24 O ATOM 421 CB THR A 151 -9.020 -11.741 -7.236 1.00 35.98 C ATOM 422 OG1 THR A 151 -7.867 -10.907 -7.383 1.00 33.23 O ATOM 423 CG2 THR A 151 -8.869 -12.644 -6.012 1.00 36.35 C ATOM 424 HG1 THR A 151 -7.738 -10.376 -6.558 1.00 0.00 H ATOM 425 H THR A 151 -7.100 -12.921 -8.888 1.00 0.00 H ATOM 426 N SER A 152 -8.851 -11.431 -10.679 1.00 41.71 N ATOM 427 CA SER A 152 -9.250 -10.838 -11.975 1.00 46.68 C ATOM 428 C SER A 152 -10.345 -11.691 -12.603 1.00 50.87 C ATOM 429 O SER A 152 -10.512 -12.864 -12.233 1.00 53.81 O ATOM 430 CB SER A 152 -8.064 -10.806 -12.945 1.00 47.32 C ATOM 431 OG SER A 152 -7.282 -9.644 -12.782 1.00 50.75 O ATOM 432 HG SER A 152 -6.529 -9.662 -13.424 1.00 0.00 H ATOM 433 H SER A 152 -7.852 -11.689 -10.545 1.00 0.00 H ATOM 434 N ALA A 153 -11.090 -11.118 -13.545 1.00 52.27 N ATOM 435 CA ALA A 153 -12.101 -11.879 -14.280 1.00 58.64 C ATOM 436 C ALA A 153 -11.445 -12.949 -15.189 1.00 62.99 C ATOM 437 O ALA A 153 -11.421 -12.810 -16.413 1.00 66.14 O ATOM 438 CB ALA A 153 -13.000 -10.932 -15.062 1.00 58.61 C ATOM 439 H ALA A 153 -10.951 -10.111 -13.763 1.00 0.00 H ATOM 440 N LYS A 154 -10.907 -14.006 -14.562 1.00 70.32 N ATOM 441 CA LYS A 154 -10.069 -15.032 -15.227 1.00 73.70 C ATOM 442 C LYS A 154 -10.513 -16.464 -14.926 1.00 79.26 C ATOM 443 O LYS A 154 -10.825 -17.217 -15.856 1.00 79.16 O ATOM 444 CB LYS A 154 -8.569 -14.849 -14.900 1.00 67.72 C ATOM 445 CG LYS A 154 -7.953 -13.550 -15.409 1.00 64.48 C ATOM 446 CD LYS A 154 -8.148 -13.370 -16.912 1.00 64.42 C ATOM 447 CE LYS A 154 -8.088 -11.909 -17.326 1.00 66.63 C ATOM 448 NZ LYS A 154 -9.278 -11.121 -16.895 1.00 66.62 N ATOM 449 HZ1 LYS A 154 -10.135 -11.531 -17.318 1.00 0.00 H ATOM 450 HZ2 LYS A 154 -9.354 -11.149 -15.858 1.00 0.00 H ATOM 451 HZ3 LYS A 154 -9.172 -10.135 -17.209 1.00 0.00 H ATOM 452 H LYS A 154 -11.090 -14.112 -13.544 1.00 0.00 H ATOM 453 N LYS A 155 -10.520 -16.822 -13.636 1.00 86.23 N ATOM 454 CA LYS A 155 -11.067 -18.095 -13.105 1.00 95.25 C ATOM 455 C LYS A 155 -10.766 -19.345 -13.972 1.00100.42 C ATOM 456 O LYS A 155 -9.616 -19.551 -14.383 1.00100.24 O ATOM 457 CB LYS A 155 -12.577 -17.945 -12.806 1.00 98.57 C ATOM 458 CG LYS A 155 -13.146 -18.948 -11.806 1.00 98.83 C ATOM 459 CD LYS A 155 -14.600 -19.279 -12.115 1.00 98.97 C ATOM 460 CE LYS A 155 -14.986 -20.629 -11.529 1.00 97.08 C ATOM 461 NZ LYS A 155 -16.461 -20.816 -11.479 1.00 96.19 N ATOM 462 HZ1 LYS A 155 -16.884 -20.072 -10.887 1.00 0.00 H ATOM 463 HZ2 LYS A 155 -16.850 -20.757 -12.442 1.00 0.00 H ATOM 464 HZ3 LYS A 155 -16.677 -21.749 -11.073 1.00 0.00 H ATOM 465 H LYS A 155 -10.109 -16.155 -12.952 1.00 0.00 H ATOM 466 N LYS A 156 -11.806 -20.149 -14.235 1.00103.99 N ATOM 467 CA LYS A 156 -11.757 -21.359 -15.062 1.00101.36 C ATOM 468 C LYS A 156 -11.384 -21.017 -16.506 1.00100.64 C ATOM 469 O LYS A 156 -11.725 -19.937 -17.004 1.00101.70 O ATOM 470 CB LYS A 156 -13.118 -22.074 -15.020 1.00 99.11 C ATOM 471 CG LYS A 156 -13.098 -23.522 -15.501 1.00 96.36 C ATOM 472 CD LYS A 156 -14.374 -23.891 -16.250 1.00 95.31 C ATOM 473 CE LYS A 156 -15.436 -24.460 -15.307 1.00 94.08 C ATOM 474 NZ LYS A 156 -16.497 -25.175 -16.068 1.00 92.31 N ATOM 475 HZ1 LYS A 156 -16.955 -24.513 -16.727 1.00 0.00 H ATOM 476 HZ2 LYS A 156 -16.070 -25.959 -16.602 1.00 0.00 H ATOM 477 HZ3 LYS A 156 -17.204 -25.551 -15.405 1.00 0.00 H ATOM 478 H LYS A 156 -12.724 -19.893 -13.818 1.00 0.00 H ATOM 479 N LYS A 157 -10.669 -21.944 -17.150 1.00 99.85 N ATOM 480 CA LYS A 157 -10.209 -21.838 -18.556 1.00 94.73 C ATOM 481 C LYS A 157 -9.133 -20.749 -18.811 1.00 88.81 C ATOM 482 O LYS A 157 -8.759 -20.489 -19.962 1.00 89.53 O ATOM 483 CB LYS A 157 -11.402 -21.770 -19.543 1.00 95.12 C ATOM 484 CG LYS A 157 -12.292 -23.015 -19.524 1.00 93.85 C ATOM 485 CD LYS A 157 -13.745 -22.713 -19.864 1.00 91.48 C ATOM 486 CE LYS A 157 -14.024 -22.830 -21.356 1.00 76.56 C ATOM 487 NZ LYS A 157 -15.480 -22.745 -21.659 1.00 84.04 N ATOM 488 HZ1 LYS A 157 -15.980 -23.517 -21.173 1.00 0.00 H ATOM 489 HZ2 LYS A 157 -15.849 -21.830 -21.330 1.00 0.00 H ATOM 490 HZ3 LYS A 157 -15.625 -22.829 -22.685 1.00 0.00 H ATOM 491 H LYS A 157 -10.416 -22.806 -16.625 1.00 0.00 H ATOM 492 N ASN A 158 -8.639 -20.137 -17.728 1.00 78.52 N ATOM 493 CA ASN A 158 -7.492 -19.226 -17.760 1.00 71.59 C ATOM 494 C ASN A 158 -6.416 -19.633 -16.741 1.00 65.66 C ATOM 495 O ASN A 158 -5.308 -20.031 -17.118 1.00 64.51 O ATOM 496 CB ASN A 158 -7.932 -17.773 -17.523 1.00 75.45 C ATOM 497 CG ASN A 158 -8.509 -17.115 -18.767 1.00 80.49 C ATOM 498 OD1 ASN A 158 -7.941 -17.197 -19.861 1.00 79.63 O ATOM 499 ND2 ASN A 158 -9.637 -16.431 -18.596 1.00 81.50 N ATOM 500 HD22 ASN A 158 -10.082 -16.388 -17.657 1.00 0.00 H ATOM 501 HD21 ASN A 158 -10.074 -15.939 -19.401 1.00 0.00 H ATOM 502 H ASN A 158 -9.095 -20.319 -16.811 1.00 0.00 H ATOM 503 N ALA A 159 -6.760 -19.539 -15.457 1.00 56.73 N ATOM 504 CA ALA A 159 -5.836 -19.828 -14.360 1.00 48.23 C ATOM 505 C ALA A 159 -5.687 -21.322 -14.139 1.00 41.13 C ATOM 506 O ALA A 159 -6.670 -22.057 -14.145 1.00 41.70 O ATOM 507 CB ALA A 159 -6.316 -19.158 -13.087 1.00 46.31 C ATOM 508 H ALA A 159 -7.730 -19.247 -15.224 1.00 0.00 H ATOM 509 N LYS A 160 -4.449 -21.755 -13.934 1.00 36.09 N ATOM 510 CA LYS A 160 -4.143 -23.146 -13.634 1.00 33.74 C ATOM 511 C LYS A 160 -3.641 -23.286 -12.184 1.00 29.49 C ATOM 512 O LYS A 160 -2.901 -22.403 -11.700 1.00 26.67 O ATOM 513 CB LYS A 160 -3.082 -23.670 -14.607 1.00 38.13 C ATOM 514 CG LYS A 160 -3.613 -24.202 -15.935 1.00 43.05 C ATOM 515 CD LYS A 160 -2.445 -24.644 -16.810 1.00 47.49 C ATOM 516 CE LYS A 160 -2.826 -25.764 -17.766 1.00 50.95 C ATOM 517 NZ LYS A 160 -1.616 -26.310 -18.446 1.00 52.22 N ATOM 518 HZ1 LYS A 160 -1.150 -25.552 -18.984 1.00 0.00 H ATOM 519 HZ2 LYS A 160 -0.958 -26.685 -17.733 1.00 0.00 H ATOM 520 HZ3 LYS A 160 -1.899 -27.073 -19.094 1.00 0.00 H ATOM 521 H LYS A 160 -3.666 -21.073 -13.990 1.00 0.00 H ATOM 522 N PRO A 161 -4.004 -24.400 -11.500 1.00 26.60 N ATOM 523 CA PRO A 161 -3.444 -24.634 -10.143 1.00 23.43 C ATOM 524 C PRO A 161 -1.944 -24.869 -10.177 1.00 22.22 C ATOM 525 O PRO A 161 -1.357 -25.029 -11.266 1.00 21.16 O ATOM 526 CB PRO A 161 -4.191 -25.887 -9.647 1.00 25.40 C ATOM 527 CG PRO A 161 -4.686 -26.576 -10.888 1.00 26.35 C ATOM 528 CD PRO A 161 -4.883 -25.510 -11.940 1.00 26.03 C ATOM 529 N LEU A 162 -1.304 -24.846 -9.004 1.00 19.55 N ATOM 530 CA LEU A 162 0.117 -25.140 -8.938 1.00 18.85 C ATOM 531 C LEU A 162 0.319 -26.653 -9.059 1.00 17.71 C ATOM 532 O LEU A 162 -0.355 -27.429 -8.353 1.00 16.83 O ATOM 533 CB LEU A 162 0.728 -24.610 -7.627 1.00 19.10 C ATOM 534 CG LEU A 162 2.162 -25.069 -7.318 1.00 20.76 C ATOM 535 CD1 LEU A 162 3.194 -24.328 -8.180 1.00 22.01 C ATOM 536 CD2 LEU A 162 2.439 -24.906 -5.837 1.00 19.65 C ATOM 537 H LEU A 162 -1.826 -24.616 -8.134 1.00 0.00 H ATOM 538 N SER A 163 1.235 -27.060 -9.943 1.00 18.02 N ATOM 539 CA SER A 163 1.592 -28.468 -10.114 1.00 18.99 C ATOM 540 C SER A 163 3.011 -28.729 -9.697 1.00 18.55 C ATOM 541 O SER A 163 3.918 -27.998 -10.102 1.00 19.11 O ATOM 542 CB SER A 163 1.473 -28.896 -11.594 1.00 21.82 C ATOM 543 OG SER A 163 0.137 -28.747 -12.033 1.00 28.48 O ATOM 544 HG SER A 163 -0.456 -29.315 -11.480 1.00 0.00 H ATOM 545 H SER A 163 1.712 -26.348 -10.532 1.00 0.00 H ATOM 546 N PHE A 164 3.219 -29.788 -8.921 1.00 17.55 N ATOM 547 CA PHE A 164 4.575 -30.209 -8.558 1.00 16.49 C ATOM 548 C PHE A 164 4.596 -31.675 -8.180 1.00 16.16 C ATOM 549 O PHE A 164 3.573 -32.252 -7.771 1.00 15.07 O ATOM 550 CB PHE A 164 5.165 -29.350 -7.423 1.00 16.92 C ATOM 551 CG PHE A 164 4.422 -29.463 -6.124 1.00 17.09 C ATOM 552 CD1 PHE A 164 3.311 -28.642 -5.864 1.00 17.92 C ATOM 553 CD2 PHE A 164 4.831 -30.383 -5.140 1.00 17.32 C ATOM 554 CE1 PHE A 164 2.625 -28.746 -4.649 1.00 17.61 C ATOM 555 CE2 PHE A 164 4.146 -30.489 -3.926 1.00 17.46 C ATOM 556 CZ PHE A 164 3.049 -29.664 -3.687 1.00 17.08 C ATOM 557 H PHE A 164 2.404 -30.328 -8.565 1.00 0.00 H ATOM 558 N LYS A 165 5.773 -32.272 -8.324 1.00 16.09 N ATOM 559 CA LYS A 165 5.986 -33.646 -7.913 1.00 16.68 C ATOM 560 C LYS A 165 6.181 -33.617 -6.414 1.00 15.91 C ATOM 561 O LYS A 165 7.001 -32.848 -5.920 1.00 15.90 O ATOM 562 CB LYS A 165 7.221 -34.202 -8.599 1.00 18.89 C ATOM 563 CG LYS A 165 7.443 -35.684 -8.337 1.00 22.45 C ATOM 564 CD LYS A 165 8.658 -36.207 -9.101 1.00 25.67 C ATOM 565 CE LYS A 165 8.301 -36.711 -10.494 1.00 28.48 C ATOM 566 NZ LYS A 165 7.694 -38.077 -10.400 1.00 32.56 N ATOM 567 HZ1 LYS A 165 8.376 -38.729 -9.962 1.00 0.00 H ATOM 568 HZ2 LYS A 165 6.833 -38.033 -9.819 1.00 0.00 H ATOM 569 HZ3 LYS A 165 7.453 -38.414 -11.354 1.00 0.00 H ATOM 570 H LYS A 165 6.563 -31.740 -8.742 1.00 0.00 H ATOM 571 N VAL A 166 5.447 -34.470 -5.704 1.00 14.74 N ATOM 572 CA VAL A 166 5.388 -34.431 -4.235 1.00 14.78 C ATOM 573 C VAL A 166 6.382 -35.433 -3.618 1.00 14.89 C ATOM 574 O VAL A 166 6.689 -36.469 -4.215 1.00 13.96 O ATOM 575 CB VAL A 166 3.918 -34.645 -3.740 1.00 14.48 C ATOM 576 CG1 VAL A 166 3.439 -36.076 -3.968 1.00 14.09 C ATOM 577 CG2 VAL A 166 3.741 -34.239 -2.272 1.00 13.64 C ATOM 578 H VAL A 166 4.894 -35.192 -6.207 1.00 0.00 H ATOM 579 N GLY A 167 6.919 -35.068 -2.455 1.00 16.36 N ATOM 580 CA GLY A 167 7.751 -35.956 -1.640 1.00 18.06 C ATOM 581 C GLY A 167 9.196 -36.038 -2.077 1.00 19.51 C ATOM 582 O GLY A 167 9.908 -36.975 -1.702 1.00 19.94 O ATOM 583 H GLY A 167 6.738 -34.104 -2.108 1.00 0.00 H ATOM 584 N VAL A 168 9.645 -35.076 -2.878 1.00 19.77 N ATOM 585 CA VAL A 168 11.018 -35.108 -3.382 1.00 21.32 C ATOM 586 C VAL A 168 11.818 -33.815 -3.151 1.00 21.61 C ATOM 587 O VAL A 168 12.887 -33.639 -3.724 1.00 22.34 O ATOM 588 CB VAL A 168 11.101 -35.580 -4.868 1.00 22.09 C ATOM 589 CG1 VAL A 168 10.518 -36.989 -5.038 1.00 21.23 C ATOM 590 CG2 VAL A 168 10.421 -34.587 -5.816 1.00 23.10 C ATOM 591 H VAL A 168 9.015 -34.294 -3.148 1.00 0.00 H ATOM 592 N GLY A 169 11.312 -32.918 -2.307 1.00 20.75 N ATOM 593 CA GLY A 169 12.031 -31.681 -2.031 1.00 20.22 C ATOM 594 C GLY A 169 11.777 -30.512 -2.968 1.00 20.31 C ATOM 595 O GLY A 169 12.523 -29.537 -2.933 1.00 21.07 O ATOM 596 H GLY A 169 10.400 -33.101 -1.843 1.00 0.00 H ATOM 597 N LYS A 170 10.716 -30.580 -3.782 1.00 19.19 N ATOM 598 CA LYS A 170 10.387 -29.495 -4.717 1.00 19.63 C ATOM 599 C LYS A 170 9.653 -28.325 -4.050 1.00 17.64 C ATOM 600 O LYS A 170 9.571 -27.231 -4.612 1.00 18.32 O ATOM 601 CB LYS A 170 9.581 -30.024 -5.918 1.00 21.55 C ATOM 602 CG LYS A 170 10.377 -30.950 -6.842 1.00 25.33 C ATOM 603 CD LYS A 170 11.412 -30.207 -7.681 1.00 29.39 C ATOM 604 CE LYS A 170 12.045 -31.112 -8.743 1.00 33.20 C ATOM 605 NZ LYS A 170 12.935 -32.205 -8.250 1.00 36.32 N ATOM 606 HZ1 LYS A 170 13.729 -31.792 -7.721 1.00 0.00 H ATOM 607 HZ2 LYS A 170 12.393 -32.837 -7.627 1.00 0.00 H ATOM 608 HZ3 LYS A 170 13.300 -32.745 -9.060 1.00 0.00 H ATOM 609 H LYS A 170 10.108 -31.423 -3.752 1.00 0.00 H ATOM 610 N VAL A 171 9.115 -28.568 -2.860 1.00 15.45 N ATOM 611 CA VAL A 171 8.401 -27.536 -2.086 1.00 14.26 C ATOM 612 C VAL A 171 8.946 -27.515 -0.664 1.00 14.33 C ATOM 613 O VAL A 171 9.688 -28.421 -0.286 1.00 14.50 O ATOM 614 CB VAL A 171 6.877 -27.759 -2.070 1.00 13.80 C ATOM 615 CG1 VAL A 171 6.273 -27.490 -3.462 1.00 13.02 C ATOM 616 CG2 VAL A 171 6.522 -29.154 -1.537 1.00 13.38 C ATOM 617 H VAL A 171 9.201 -29.524 -2.459 1.00 0.00 H ATOM 618 N ILE A 172 8.601 -26.482 0.112 1.00 13.68 N ATOM 619 CA ILE A 172 8.995 -26.421 1.521 1.00 12.93 C ATOM 620 C ILE A 172 8.510 -27.669 2.261 1.00 12.86 C ATOM 621 O ILE A 172 7.487 -28.279 1.897 1.00 11.56 O ATOM 622 CB ILE A 172 8.539 -25.122 2.241 1.00 13.22 C ATOM 623 CG1 ILE A 172 7.019 -24.900 2.112 1.00 13.92 C ATOM 624 CG2 ILE A 172 9.320 -23.926 1.692 1.00 13.50 C ATOM 625 CD1 ILE A 172 6.440 -23.893 3.106 1.00 13.70 C ATOM 626 H ILE A 172 8.041 -25.705 -0.294 1.00 0.00 H ATOM 627 N ARG A 173 9.300 -28.074 3.249 1.00 12.45 N ATOM 628 CA ARG A 173 9.086 -29.345 3.945 1.00 12.86 C ATOM 629 C ARG A 173 7.672 -29.574 4.441 1.00 11.87 C ATOM 630 O ARG A 173 7.136 -30.663 4.259 1.00 11.60 O ATOM 631 CB ARG A 173 10.073 -29.496 5.103 1.00 14.21 C ATOM 632 CG ARG A 173 9.993 -30.868 5.751 1.00 17.33 C ATOM 633 CD ARG A 173 10.637 -31.987 4.914 1.00 20.23 C ATOM 634 NE ARG A 173 10.495 -33.260 5.636 1.00 23.16 N ATOM 635 CZ ARG A 173 11.245 -33.658 6.671 1.00 24.84 C ATOM 636 NH1 ARG A 173 12.258 -32.918 7.124 1.00 24.56 N ATOM 637 NH2 ARG A 173 10.968 -34.823 7.267 1.00 25.26 N ATOM 638 HE ARG A 173 9.747 -33.907 5.315 1.00 0.00 H ATOM 639 HH12 ARG A 173 12.825 -33.250 7.930 1.00 0.00 H ATOM 640 HH11 ARG A 173 12.481 -32.009 6.671 1.00 0.00 H ATOM 641 HH22 ARG A 173 11.542 -35.145 8.072 1.00 0.00 H ATOM 642 HH21 ARG A 173 10.178 -35.407 6.925 1.00 0.00 H ATOM 643 H ARG A 173 10.096 -27.470 3.538 1.00 0.00 H ATOM 644 N GLY A 174 7.084 -28.547 5.078 1.00 10.87 N ATOM 645 CA GLY A 174 5.709 -28.576 5.555 1.00 10.31 C ATOM 646 C GLY A 174 4.679 -29.001 4.499 1.00 10.55 C ATOM 647 O GLY A 174 3.815 -29.800 4.788 1.00 9.48 O ATOM 648 H GLY A 174 7.642 -27.684 5.239 1.00 0.00 H ATOM 649 N TRP A 175 4.800 -28.463 3.286 1.00 11.11 N ATOM 650 CA TRP A 175 3.952 -28.896 2.171 1.00 11.33 C ATOM 651 C TRP A 175 4.224 -30.346 1.732 1.00 11.80 C ATOM 652 O TRP A 175 3.267 -31.102 1.535 1.00 12.63 O ATOM 653 CB TRP A 175 4.184 -28.000 0.968 1.00 11.42 C ATOM 654 CG TRP A 175 3.328 -26.797 0.929 1.00 12.17 C ATOM 655 CD1 TRP A 175 3.304 -25.768 1.834 1.00 12.48 C ATOM 656 CD2 TRP A 175 2.361 -26.477 -0.075 1.00 12.11 C ATOM 657 NE1 TRP A 175 2.386 -24.811 1.444 1.00 12.52 N ATOM 658 CE2 TRP A 175 1.786 -25.223 0.281 1.00 12.60 C ATOM 659 CE3 TRP A 175 1.918 -27.128 -1.241 1.00 12.25 C ATOM 660 CZ2 TRP A 175 0.797 -24.592 -0.505 1.00 12.59 C ATOM 661 CZ3 TRP A 175 0.942 -26.500 -2.033 1.00 12.59 C ATOM 662 CH2 TRP A 175 0.387 -25.247 -1.654 1.00 12.42 C ATOM 663 HE1 TRP A 175 2.183 -23.925 1.949 1.00 0.00 H ATOM 664 H TRP A 175 5.511 -27.721 3.127 1.00 0.00 H ATOM 665 N ASP A 176 5.496 -30.695 1.536 1.00 12.16 N ATOM 666 CA ASP A 176 5.895 -32.038 1.098 1.00 13.37 C ATOM 667 C ASP A 176 5.354 -33.100 2.053 1.00 13.94 C ATOM 668 O ASP A 176 4.823 -34.129 1.609 1.00 14.82 O ATOM 669 CB ASP A 176 7.416 -32.148 1.000 1.00 14.46 C ATOM 670 CG ASP A 176 7.894 -32.396 -0.412 1.00 14.85 C ATOM 671 OD1 ASP A 176 7.071 -32.526 -1.343 1.00 14.89 O ATOM 672 OD2 ASP A 176 9.113 -32.511 -0.582 1.00 16.44 O ATOM 673 H ASP A 176 6.238 -29.985 1.701 1.00 0.00 H ATOM 674 N GLU A 177 5.430 -32.806 3.350 1.00 13.28 N ATOM 675 CA GLU A 177 4.896 -33.708 4.391 1.00 13.87 C ATOM 676 C GLU A 177 3.354 -33.702 4.453 1.00 12.87 C ATOM 677 O GLU A 177 2.729 -34.768 4.369 1.00 13.23 O ATOM 678 CB GLU A 177 5.521 -33.382 5.760 1.00 14.69 C ATOM 679 CG GLU A 177 7.023 -33.641 5.802 1.00 16.32 C ATOM 680 CD GLU A 177 7.395 -35.114 5.886 1.00 18.88 C ATOM 681 OE1 GLU A 177 6.510 -35.987 6.063 1.00 20.49 O ATOM 682 OE2 GLU A 177 8.591 -35.404 5.746 1.00 20.62 O ATOM 683 H GLU A 177 5.879 -31.914 3.639 1.00 0.00 H ATOM 684 N ALA A 178 2.739 -32.522 4.560 1.00 12.23 N ATOM 685 CA ALA A 178 1.271 -32.433 4.653 1.00 11.89 C ATOM 686 C ALA A 178 0.533 -33.036 3.454 1.00 11.57 C ATOM 687 O ALA A 178 -0.509 -33.682 3.640 1.00 11.30 O ATOM 688 CB ALA A 178 0.806 -31.004 4.833 1.00 11.98 C ATOM 689 H ALA A 178 3.306 -31.650 4.578 1.00 0.00 H ATOM 690 N LEU A 179 1.047 -32.816 2.243 1.00 11.55 N ATOM 691 CA LEU A 179 0.306 -33.260 1.044 1.00 11.44 C ATOM 692 C LEU A 179 0.078 -34.774 1.015 1.00 11.63 C ATOM 693 O LEU A 179 -0.955 -35.246 0.536 1.00 10.86 O ATOM 694 CB LEU A 179 0.973 -32.775 -0.235 1.00 11.90 C ATOM 695 CG LEU A 179 0.350 -31.494 -0.840 1.00 12.17 C ATOM 696 CD1 LEU A 179 -1.082 -31.746 -1.306 1.00 12.69 C ATOM 697 CD2 LEU A 179 0.381 -30.296 0.108 1.00 12.82 C ATOM 698 H LEU A 179 1.964 -32.335 2.143 1.00 0.00 H ATOM 699 N LEU A 180 1.035 -35.513 1.575 1.00 11.54 N ATOM 700 CA LEU A 180 0.991 -36.991 1.614 1.00 11.69 C ATOM 701 C LEU A 180 -0.126 -37.496 2.548 1.00 12.16 C ATOM 702 O LEU A 180 -0.549 -38.661 2.460 1.00 12.16 O ATOM 703 CB LEU A 180 2.362 -37.545 2.033 1.00 12.33 C ATOM 704 CG LEU A 180 3.544 -37.215 1.129 1.00 12.43 C ATOM 705 CD1 LEU A 180 4.837 -37.689 1.795 1.00 14.01 C ATOM 706 CD2 LEU A 180 3.370 -37.849 -0.239 1.00 12.86 C ATOM 707 H LEU A 180 1.849 -35.029 2.004 1.00 0.00 H ATOM 708 N THR A 181 -0.645 -36.594 3.378 1.00 11.33 N ATOM 709 CA THR A 181 -1.745 -36.908 4.287 1.00 11.74 C ATOM 710 C THR A 181 -3.098 -36.455 3.779 1.00 11.63 C ATOM 711 O THR A 181 -4.116 -36.725 4.442 1.00 12.30 O ATOM 712 CB THR A 181 -1.559 -36.278 5.697 1.00 11.83 C ATOM 713 OG1 THR A 181 -1.813 -34.869 5.622 1.00 12.08 O ATOM 714 CG2 THR A 181 -0.144 -36.556 6.278 1.00 11.81 C ATOM 715 HG1 THR A 181 -1.178 -34.454 4.986 1.00 0.00 H ATOM 716 H THR A 181 -0.253 -35.631 3.380 1.00 0.00 H ATOM 717 N MET A 182 -3.136 -35.739 2.650 1.00 11.51 N ATOM 718 CA MET A 182 -4.390 -35.184 2.159 1.00 11.25 C ATOM 719 C MET A 182 -5.012 -36.084 1.095 1.00 11.39 C ATOM 720 O MET A 182 -4.296 -36.709 0.315 1.00 11.69 O ATOM 721 CB MET A 182 -4.148 -33.790 1.578 1.00 11.45 C ATOM 722 CG MET A 182 -3.784 -32.748 2.666 1.00 12.39 C ATOM 723 SD MET A 182 -3.377 -31.164 1.939 1.00 13.56 S ATOM 724 CE MET A 182 -4.955 -30.586 1.280 1.00 13.57 C ATOM 725 H MET A 182 -2.259 -35.576 2.116 1.00 0.00 H ATOM 726 N SER A 183 -6.326 -36.158 1.066 1.00 11.78 N ATOM 727 CA SER A 183 -6.989 -36.887 -0.023 1.00 12.00 C ATOM 728 C SER A 183 -7.464 -35.925 -1.113 1.00 12.16 C ATOM 729 O SER A 183 -7.615 -34.734 -0.884 1.00 11.83 O ATOM 730 CB SER A 183 -8.070 -37.853 0.492 1.00 11.97 C ATOM 731 OG SER A 183 -9.175 -37.187 1.104 1.00 12.44 O ATOM 732 HG SER A 183 -8.853 -36.658 1.877 1.00 0.00 H ATOM 733 H SER A 183 -6.892 -35.703 1.810 1.00 0.00 H ATOM 734 N LYS A 184 -7.654 -36.440 -2.324 1.00 12.87 N ATOM 735 CA LYS A 184 -8.076 -35.603 -3.456 1.00 14.32 C ATOM 736 C LYS A 184 -9.387 -34.884 -3.126 1.00 14.61 C ATOM 737 O LYS A 184 -10.314 -35.511 -2.635 1.00 16.11 O ATOM 738 CB LYS A 184 -8.240 -36.498 -4.687 1.00 15.70 C ATOM 739 CG LYS A 184 -8.610 -35.770 -5.956 1.00 18.73 C ATOM 740 CD LYS A 184 -8.334 -36.742 -7.098 1.00 20.18 C ATOM 741 CE LYS A 184 -9.437 -36.714 -8.120 1.00 22.98 C ATOM 742 NZ LYS A 184 -9.117 -37.772 -9.117 1.00 23.13 N ATOM 743 HZ1 LYS A 184 -8.197 -37.566 -9.556 1.00 0.00 H ATOM 744 HZ2 LYS A 184 -9.075 -38.695 -8.640 1.00 0.00 H ATOM 745 HZ3 LYS A 184 -9.856 -37.792 -9.849 1.00 0.00 H ATOM 746 H LYS A 184 -7.501 -37.458 -2.474 1.00 0.00 H ATOM 747 N GLY A 185 -9.444 -33.576 -3.396 1.00 15.22 N ATOM 748 CA GLY A 185 -10.589 -32.712 -3.066 1.00 15.35 C ATOM 749 C GLY A 185 -10.444 -31.984 -1.743 1.00 16.64 C ATOM 750 O GLY A 185 -11.152 -31.000 -1.486 1.00 17.44 O ATOM 751 H GLY A 185 -8.627 -33.141 -3.870 1.00 0.00 H ATOM 752 N GLU A 186 -9.523 -32.452 -0.892 1.00 15.40 N ATOM 753 CA GLU A 186 -9.396 -31.914 0.459 1.00 14.98 C ATOM 754 C GLU A 186 -8.918 -30.470 0.405 1.00 14.82 C ATOM 755 O GLU A 186 -8.023 -30.118 -0.384 1.00 14.40 O ATOM 756 CB GLU A 186 -8.454 -32.770 1.314 1.00 15.39 C ATOM 757 CG GLU A 186 -8.240 -32.278 2.750 1.00 14.90 C ATOM 758 CD GLU A 186 -7.421 -33.226 3.584 1.00 16.30 C ATOM 759 OE1 GLU A 186 -7.564 -34.447 3.397 1.00 15.72 O ATOM 760 OE2 GLU A 186 -6.628 -32.761 4.436 1.00 16.25 O ATOM 761 H GLU A 186 -8.885 -33.214 -1.199 1.00 0.00 H ATOM 762 N LYS A 187 -9.547 -29.653 1.249 1.00 15.18 N ATOM 763 CA LYS A 187 -9.041 -28.331 1.551 1.00 15.96 C ATOM 764 C LYS A 187 -8.673 -28.251 3.021 1.00 15.06 C ATOM 765 O LYS A 187 -9.476 -28.570 3.903 1.00 16.51 O ATOM 766 CB LYS A 187 -10.013 -27.219 1.153 1.00 17.52 C ATOM 767 CG LYS A 187 -9.362 -25.847 1.259 1.00 20.13 C ATOM 768 CD LYS A 187 -10.373 -24.742 0.998 1.00 22.17 C ATOM 769 CE LYS A 187 -9.699 -23.393 1.041 1.00 23.25 C ATOM 770 NZ LYS A 187 -10.669 -22.329 0.647 1.00 27.82 N ATOM 771 HZ1 LYS A 187 -11.010 -22.513 -0.318 1.00 0.00 H ATOM 772 HZ2 LYS A 187 -11.473 -22.333 1.307 1.00 0.00 H ATOM 773 HZ3 LYS A 187 -10.197 -21.403 0.679 1.00 0.00 H ATOM 774 H LYS A 187 -10.426 -29.974 1.703 1.00 0.00 H ATOM 775 N ALA A 188 -7.433 -27.841 3.280 1.00 14.90 N ATOM 776 CA ALA A 188 -6.931 -27.861 4.643 1.00 14.58 C ATOM 777 C ALA A 188 -6.160 -26.594 4.985 1.00 14.40 C ATOM 778 O ALA A 188 -5.627 -25.923 4.097 1.00 14.15 O ATOM 779 CB ALA A 188 -6.068 -29.094 4.877 1.00 15.34 C ATOM 780 H ALA A 188 -6.824 -27.506 2.506 1.00 0.00 H ATOM 781 N ARG A 189 -6.133 -26.272 6.280 1.00 14.70 N ATOM 782 CA ARG A 189 -5.309 -25.177 6.780 1.00 15.38 C ATOM 783 C ARG A 189 -4.087 -25.780 7.425 1.00 14.06 C ATOM 784 O ARG A 189 -4.211 -26.568 8.360 1.00 14.54 O ATOM 785 CB ARG A 189 -6.087 -24.296 7.756 1.00 19.03 C ATOM 786 CG ARG A 189 -5.231 -23.251 8.470 1.00 23.58 C ATOM 787 CD ARG A 189 -6.084 -22.179 9.131 1.00 27.57 C ATOM 788 NE ARG A 189 -6.791 -21.437 8.080 1.00 33.67 N ATOM 789 CZ ARG A 189 -8.110 -21.382 7.924 1.00 34.74 C ATOM 790 NH1 ARG A 189 -8.929 -21.993 8.777 1.00 37.27 N ATOM 791 NH2 ARG A 189 -8.608 -20.675 6.920 1.00 35.36 N ATOM 792 HE ARG A 189 -6.210 -20.909 7.398 1.00 0.00 H ATOM 793 HH12 ARG A 189 -9.958 -21.939 8.639 1.00 0.00 H ATOM 794 HH11 ARG A 189 -8.540 -22.524 9.582 1.00 0.00 H ATOM 795 HH22 ARG A 189 -9.637 -20.621 6.783 1.00 0.00 H ATOM 796 HH21 ARG A 189 -7.969 -20.174 6.269 1.00 0.00 H ATOM 797 H ARG A 189 -6.714 -26.816 6.950 1.00 0.00 H ATOM 798 N LEU A 190 -2.921 -25.429 6.891 1.00 13.91 N ATOM 799 CA LEU A 190 -1.638 -25.945 7.373 1.00 13.56 C ATOM 800 C LEU A 190 -0.978 -24.825 8.139 1.00 14.25 C ATOM 801 O LEU A 190 -0.879 -23.707 7.616 1.00 14.74 O ATOM 802 CB LEU A 190 -0.713 -26.278 6.190 1.00 13.55 C ATOM 803 CG LEU A 190 -1.175 -27.276 5.134 1.00 13.76 C ATOM 804 CD1 LEU A 190 -0.055 -27.553 4.135 1.00 13.99 C ATOM 805 CD2 LEU A 190 -1.636 -28.551 5.833 1.00 14.10 C ATOM 806 H LEU A 190 -2.920 -24.758 6.096 1.00 0.00 H ATOM 807 N GLU A 191 -0.510 -25.119 9.343 1.00 13.88 N ATOM 808 CA GLU A 191 0.329 -24.174 10.069 1.00 15.41 C ATOM 809 C GLU A 191 1.707 -24.781 10.195 1.00 13.83 C ATOM 810 O GLU A 191 1.873 -25.788 10.851 1.00 15.11 O ATOM 811 CB GLU A 191 -0.301 -23.759 11.402 1.00 18.97 C ATOM 812 CG GLU A 191 -1.417 -22.752 11.128 1.00 26.44 C ATOM 813 CD GLU A 191 -2.241 -22.329 12.315 1.00 35.10 C ATOM 814 OE1 GLU A 191 -1.830 -22.537 13.492 1.00 38.15 O ATOM 815 OE2 GLU A 191 -3.327 -21.756 12.042 1.00 40.57 O ATOM 816 H GLU A 191 -0.744 -26.035 9.775 1.00 0.00 H ATOM 817 N ILE A 192 2.674 -24.163 9.535 1.00 12.56 N ATOM 818 CA ILE A 192 3.984 -24.761 9.316 1.00 11.56 C ATOM 819 C ILE A 192 5.028 -23.999 10.118 1.00 11.80 C ATOM 820 O ILE A 192 5.215 -22.796 9.932 1.00 11.34 O ATOM 821 CB ILE A 192 4.371 -24.754 7.827 1.00 11.37 C ATOM 822 CG1 ILE A 192 3.305 -25.524 6.986 1.00 11.41 C ATOM 823 CG2 ILE A 192 5.729 -25.411 7.624 1.00 10.64 C ATOM 824 CD1 ILE A 192 3.521 -25.385 5.490 1.00 10.41 C ATOM 825 H ILE A 192 2.491 -23.211 9.157 1.00 0.00 H ATOM 826 N GLU A 193 5.713 -24.723 10.996 1.00 11.67 N ATOM 827 CA GLU A 193 6.790 -24.122 11.785 1.00 12.30 C ATOM 828 C GLU A 193 7.922 -23.646 10.899 1.00 12.16 C ATOM 829 O GLU A 193 8.166 -24.220 9.837 1.00 12.02 O ATOM 830 CB GLU A 193 7.287 -25.103 12.865 1.00 13.28 C ATOM 831 CG GLU A 193 6.233 -25.417 13.903 1.00 14.34 C ATOM 832 CD GLU A 193 5.902 -24.247 14.809 1.00 16.87 C ATOM 833 OE1 GLU A 193 6.753 -23.367 15.027 1.00 18.43 O ATOM 834 OE2 GLU A 193 4.766 -24.202 15.307 1.00 19.82 O ATOM 835 H GLU A 193 5.482 -25.729 11.125 1.00 0.00 H ATOM 836 N PRO A 194 8.652 -22.601 11.332 1.00 12.11 N ATOM 837 CA PRO A 194 9.673 -22.018 10.454 1.00 12.13 C ATOM 838 C PRO A 194 10.708 -22.999 9.904 1.00 11.94 C ATOM 839 O PRO A 194 11.084 -22.894 8.742 1.00 12.41 O ATOM 840 CB PRO A 194 10.330 -20.921 11.319 1.00 12.20 C ATOM 841 CG PRO A 194 9.644 -20.934 12.633 1.00 13.04 C ATOM 842 CD PRO A 194 8.458 -21.853 12.582 1.00 12.07 C ATOM 843 N GLU A 195 11.143 -23.975 10.707 1.00 12.28 N ATOM 844 CA GLU A 195 12.160 -24.923 10.255 1.00 13.08 C ATOM 845 C GLU A 195 11.671 -25.756 9.073 1.00 12.42 C ATOM 846 O GLU A 195 12.484 -26.239 8.303 1.00 12.26 O ATOM 847 CB GLU A 195 12.653 -25.843 11.385 1.00 15.41 C ATOM 848 CG GLU A 195 11.554 -26.637 12.051 1.00 18.26 C ATOM 849 CD GLU A 195 11.057 -26.005 13.337 1.00 21.82 C ATOM 850 OE1 GLU A 195 10.790 -24.761 13.416 1.00 22.01 O ATOM 851 OE2 GLU A 195 10.936 -26.801 14.295 1.00 24.62 O ATOM 852 H GLU A 195 10.752 -24.061 11.667 1.00 0.00 H ATOM 853 N TRP A 196 10.351 -25.896 8.918 1.00 11.92 N ATOM 854 CA TRP A 196 9.780 -26.631 7.763 1.00 11.64 C ATOM 855 C TRP A 196 9.210 -25.691 6.698 1.00 11.52 C ATOM 856 O TRP A 196 8.447 -26.088 5.813 1.00 10.44 O ATOM 857 CB TRP A 196 8.744 -27.636 8.274 1.00 12.21 C ATOM 858 CG TRP A 196 9.382 -28.908 8.742 1.00 13.29 C ATOM 859 CD1 TRP A 196 10.696 -29.102 9.105 1.00 13.76 C ATOM 860 CD2 TRP A 196 8.732 -30.166 8.904 1.00 13.90 C ATOM 861 NE1 TRP A 196 10.900 -30.411 9.461 1.00 14.82 N ATOM 862 CE2 TRP A 196 9.709 -31.088 9.358 1.00 14.67 C ATOM 863 CE3 TRP A 196 7.412 -30.605 8.728 1.00 14.17 C ATOM 864 CZ2 TRP A 196 9.405 -32.432 9.634 1.00 15.47 C ATOM 865 CZ3 TRP A 196 7.109 -31.959 8.997 1.00 14.82 C ATOM 866 CH2 TRP A 196 8.099 -32.842 9.447 1.00 14.89 C ATOM 867 HE1 TRP A 196 11.807 -30.823 9.760 1.00 0.00 H ATOM 868 H TRP A 196 9.710 -25.480 9.623 1.00 0.00 H ATOM 869 N ALA A 197 9.631 -24.428 6.787 1.00 11.64 N ATOM 870 CA ALA A 197 9.279 -23.408 5.802 1.00 12.07 C ATOM 871 C ALA A 197 10.585 -22.712 5.405 1.00 12.66 C ATOM 872 O ALA A 197 11.462 -23.370 4.840 1.00 13.00 O ATOM 873 CB ALA A 197 8.261 -22.441 6.391 1.00 11.98 C ATOM 874 H ALA A 197 10.234 -24.159 7.590 1.00 0.00 H ATOM 875 N TYR A 198 10.732 -21.412 5.704 1.00 12.68 N ATOM 876 CA TYR A 198 11.943 -20.662 5.281 1.00 13.26 C ATOM 877 C TYR A 198 12.972 -20.423 6.397 1.00 14.11 C ATOM 878 O TYR A 198 14.030 -19.815 6.147 1.00 14.03 O ATOM 879 CB TYR A 198 11.554 -19.353 4.554 1.00 13.29 C ATOM 880 CG TYR A 198 10.871 -19.660 3.249 1.00 13.81 C ATOM 881 CD1 TYR A 198 11.632 -19.950 2.117 1.00 13.96 C ATOM 882 CD2 TYR A 198 9.482 -19.713 3.154 1.00 14.18 C ATOM 883 CE1 TYR A 198 11.028 -20.264 0.908 1.00 15.36 C ATOM 884 CE2 TYR A 198 8.865 -20.036 1.939 1.00 15.34 C ATOM 885 CZ TYR A 198 9.663 -20.312 0.832 1.00 15.67 C ATOM 886 OH TYR A 198 9.121 -20.638 -0.375 1.00 18.13 O ATOM 887 HH TYR A 198 8.576 -21.459 -0.280 1.00 0.00 H ATOM 888 H TYR A 198 9.987 -20.922 6.240 1.00 0.00 H ATOM 889 N GLY A 199 12.668 -20.900 7.605 1.00 13.80 N ATOM 890 CA GLY A 199 13.681 -20.975 8.656 1.00 16.12 C ATOM 891 C GLY A 199 14.208 -19.609 9.069 1.00 18.32 C ATOM 892 O GLY A 199 13.438 -18.652 9.215 1.00 16.29 O ATOM 893 H GLY A 199 11.699 -21.222 7.801 1.00 0.00 H ATOM 894 N LYS A 200 15.528 -19.536 9.258 1.00 19.29 N ATOM 895 CA LYS A 200 16.204 -18.292 9.678 1.00 22.95 C ATOM 896 C LYS A 200 16.384 -17.256 8.577 1.00 22.50 C ATOM 897 O LYS A 200 16.401 -16.057 8.864 1.00 24.38 O ATOM 898 CB LYS A 200 17.562 -18.617 10.291 1.00 24.00 C ATOM 899 CG LYS A 200 17.429 -19.362 11.599 1.00 26.41 C ATOM 900 CD LYS A 200 18.802 -19.797 12.089 1.00 30.26 C ATOM 901 CE LYS A 200 18.668 -20.661 13.321 1.00 29.55 C ATOM 902 NZ LYS A 200 17.964 -21.950 13.054 1.00 34.56 N ATOM 903 HZ1 LYS A 200 17.006 -21.754 12.699 1.00 0.00 H ATOM 904 HZ2 LYS A 200 18.494 -22.492 12.343 1.00 0.00 H ATOM 905 HZ3 LYS A 200 17.902 -22.499 13.935 1.00 0.00 H ATOM 906 H LYS A 200 16.103 -20.389 9.103 1.00 0.00 H ATOM 907 N LYS A 201 16.516 -17.722 7.340 1.00 22.91 N ATOM 908 CA LYS A 201 16.722 -16.860 6.181 1.00 24.94 C ATOM 909 C LYS A 201 15.483 -16.028 5.885 1.00 24.38 C ATOM 910 O LYS A 201 15.586 -14.876 5.447 1.00 23.69 O ATOM 911 CB LYS A 201 17.065 -17.688 4.941 1.00 28.09 C ATOM 912 CG LYS A 201 18.508 -18.152 4.883 1.00 33.88 C ATOM 913 CD LYS A 201 18.833 -18.810 3.548 1.00 38.37 C ATOM 914 CE LYS A 201 20.292 -19.262 3.495 1.00 43.84 C ATOM 915 NZ LYS A 201 20.629 -20.332 4.490 1.00 45.82 N ATOM 916 HZ1 LYS A 201 20.449 -19.979 5.451 1.00 0.00 H ATOM 917 HZ2 LYS A 201 20.039 -21.169 4.310 1.00 0.00 H ATOM 918 HZ3 LYS A 201 21.633 -20.588 4.396 1.00 0.00 H ATOM 919 H LYS A 201 16.470 -18.750 7.191 1.00 0.00 H ATOM 920 N GLY A 202 14.314 -16.615 6.124 1.00 21.01 N ATOM 921 CA GLY A 202 13.071 -16.076 5.592 1.00 20.05 C ATOM 922 C GLY A 202 13.099 -16.127 4.069 1.00 20.16 C ATOM 923 O GLY A 202 13.836 -16.939 3.442 1.00 18.31 O ATOM 924 H GLY A 202 14.287 -17.478 6.704 1.00 0.00 H ATOM 925 N GLN A 203 12.262 -15.284 3.469 1.00 19.57 N ATOM 926 CA GLN A 203 12.246 -15.147 2.031 1.00 20.23 C ATOM 927 C GLN A 203 12.014 -13.665 1.735 1.00 20.50 C ATOM 928 O GLN A 203 10.884 -13.191 1.842 1.00 19.47 O ATOM 929 CB GLN A 203 11.172 -16.046 1.410 1.00 20.08 C ATOM 930 CG GLN A 203 11.601 -16.604 0.060 1.00 20.41 C ATOM 931 CD GLN A 203 11.743 -15.516 -0.982 1.00 21.58 C ATOM 932 OE1 GLN A 203 10.830 -14.699 -1.160 1.00 22.13 O ATOM 933 NE2 GLN A 203 12.885 -15.488 -1.672 1.00 22.40 N ATOM 934 HE22 GLN A 203 13.623 -16.197 -1.486 1.00 0.00 H ATOM 935 HE21 GLN A 203 13.037 -14.757 -2.396 1.00 0.00 H ATOM 936 H GLN A 203 11.609 -14.715 4.045 1.00 0.00 H ATOM 937 N PRO A 204 13.098 -12.922 1.420 1.00 23.13 N ATOM 938 CA PRO A 204 13.041 -11.459 1.223 1.00 24.21 C ATOM 939 C PRO A 204 12.053 -10.991 0.156 1.00 24.71 C ATOM 940 O PRO A 204 11.331 -10.042 0.410 1.00 23.56 O ATOM 941 CB PRO A 204 14.472 -11.088 0.816 1.00 23.68 C ATOM 942 CG PRO A 204 15.305 -12.192 1.355 1.00 24.77 C ATOM 943 CD PRO A 204 14.470 -13.432 1.243 1.00 23.57 C ATOM 944 N ASP A 205 11.998 -11.668 -1.000 1.00 24.94 N ATOM 945 CA ASP A 205 11.141 -11.248 -2.116 1.00 26.30 C ATOM 946 C ASP A 205 9.662 -11.292 -1.794 1.00 26.02 C ATOM 947 O ASP A 205 8.902 -10.456 -2.264 1.00 25.66 O ATOM 948 CB ASP A 205 11.426 -12.079 -3.368 1.00 28.53 C ATOM 949 CG ASP A 205 12.887 -12.176 -3.656 1.00 30.22 C ATOM 950 OD1 ASP A 205 13.568 -13.061 -3.088 1.00 32.63 O ATOM 951 OD2 ASP A 205 13.365 -11.333 -4.424 1.00 33.46 O ATOM 952 H ASP A 205 12.583 -12.521 -1.110 1.00 0.00 H ATOM 953 N ALA A 206 9.264 -12.260 -0.970 1.00 23.46 N ATOM 954 CA ALA A 206 7.885 -12.391 -0.546 1.00 21.81 C ATOM 955 C ALA A 206 7.633 -11.663 0.772 1.00 20.99 C ATOM 956 O ALA A 206 6.520 -11.716 1.304 1.00 21.59 O ATOM 957 CB ALA A 206 7.530 -13.866 -0.420 1.00 22.20 C ATOM 958 H ALA A 206 9.965 -12.943 -0.620 1.00 0.00 H ATOM 959 N LYS A 207 8.672 -11.007 1.301 1.00 21.28 N ATOM 960 CA LYS A 207 8.620 -10.289 2.591 1.00 21.34 C ATOM 961 C LYS A 207 8.308 -11.247 3.763 1.00 20.02 C ATOM 962 O LYS A 207 7.635 -10.868 4.737 1.00 18.86 O ATOM 963 CB LYS A 207 7.590 -9.140 2.571 1.00 24.73 C ATOM 964 CG LYS A 207 7.751 -8.120 1.452 1.00 29.15 C ATOM 965 CD LYS A 207 6.486 -7.270 1.394 1.00 35.03 C ATOM 966 CE LYS A 207 6.085 -6.927 -0.035 1.00 39.77 C ATOM 967 NZ LYS A 207 4.822 -6.134 -0.049 1.00 42.19 N ATOM 968 HZ1 LYS A 207 4.061 -6.689 0.391 1.00 0.00 H ATOM 969 HZ2 LYS A 207 4.962 -5.252 0.484 1.00 0.00 H ATOM 970 HZ3 LYS A 207 4.565 -5.910 -1.032 1.00 0.00 H ATOM 971 H LYS A 207 9.568 -11.002 0.774 1.00 0.00 H ATOM 972 N ILE A 208 8.787 -12.488 3.666 1.00 17.85 N ATOM 973 CA ILE A 208 8.654 -13.411 4.792 1.00 17.01 C ATOM 974 C ILE A 208 9.865 -13.210 5.711 1.00 17.02 C ATOM 975 O ILE A 208 10.992 -13.443 5.286 1.00 15.97 O ATOM 976 CB ILE A 208 8.502 -14.866 4.318 1.00 16.91 C ATOM 977 CG1 ILE A 208 7.129 -15.013 3.631 1.00 16.69 C ATOM 978 CG2 ILE A 208 8.684 -15.842 5.486 1.00 16.14 C ATOM 979 CD1 ILE A 208 6.969 -16.288 2.840 1.00 17.93 C ATOM 980 H ILE A 208 9.255 -12.799 2.791 1.00 0.00 H ATOM 981 N PRO A 209 9.632 -12.759 6.966 1.00 17.00 N ATOM 982 CA PRO A 209 10.756 -12.537 7.882 1.00 17.08 C ATOM 983 C PRO A 209 11.437 -13.840 8.347 1.00 17.50 C ATOM 984 O PRO A 209 10.880 -14.937 8.132 1.00 16.04 O ATOM 985 CB PRO A 209 10.101 -11.824 9.071 1.00 18.07 C ATOM 986 CG PRO A 209 8.690 -12.262 9.057 1.00 17.84 C ATOM 987 CD PRO A 209 8.321 -12.544 7.622 1.00 17.72 C ATOM 988 N PRO A 210 12.624 -13.734 8.989 1.00 17.06 N ATOM 989 CA PRO A 210 13.219 -14.867 9.670 1.00 16.73 C ATOM 990 C PRO A 210 12.248 -15.446 10.683 1.00 15.82 C ATOM 991 O PRO A 210 11.472 -14.695 11.255 1.00 15.82 O ATOM 992 CB PRO A 210 14.392 -14.214 10.438 1.00 17.34 C ATOM 993 CG PRO A 210 14.836 -13.121 9.518 1.00 18.20 C ATOM 994 CD PRO A 210 13.528 -12.555 9.016 1.00 18.51 C ATOM 995 N ASN A 211 12.305 -16.760 10.905 1.00 16.19 N ATOM 996 CA ASN A 211 11.586 -17.420 12.012 1.00 15.80 C ATOM 997 C ASN A 211 10.055 -17.339 11.942 1.00 15.62 C ATOM 998 O ASN A 211 9.376 -17.335 12.978 1.00 15.31 O ATOM 999 CB ASN A 211 12.072 -16.881 13.377 1.00 17.10 C ATOM 1000 CG ASN A 211 13.564 -17.049 13.575 1.00 18.94 C ATOM 1001 OD1 ASN A 211 14.086 -18.149 13.489 1.00 20.87 O ATOM 1002 ND2 ASN A 211 14.255 -15.955 13.833 1.00 18.15 N ATOM 1003 HD22 ASN A 211 13.770 -15.037 13.898 1.00 0.00 H ATOM 1004 HD21 ASN A 211 15.284 -16.011 13.972 1.00 0.00 H ATOM 1005 H ASN A 211 12.882 -17.346 10.269 1.00 0.00 H ATOM 1006 N ALA A 212 9.523 -17.315 10.721 1.00 14.71 N ATOM 1007 CA ALA A 212 8.103 -17.094 10.485 1.00 14.22 C ATOM 1008 C ALA A 212 7.333 -18.406 10.402 1.00 13.90 C ATOM 1009 O ALA A 212 7.631 -19.230 9.531 1.00 13.06 O ATOM 1010 CB ALA A 212 7.922 -16.301 9.182 1.00 13.61 C ATOM 1011 H ALA A 212 10.148 -17.460 9.902 1.00 0.00 H ATOM 1012 N LYS A 213 6.359 -18.590 11.299 1.00 13.62 N ATOM 1013 CA LYS A 213 5.369 -19.658 11.161 1.00 14.77 C ATOM 1014 C LYS A 213 4.444 -19.251 10.019 1.00 13.85 C ATOM 1015 O LYS A 213 3.915 -18.130 10.020 1.00 13.78 O ATOM 1016 CB LYS A 213 4.551 -19.817 12.435 1.00 17.41 C ATOM 1017 CG LYS A 213 3.760 -21.117 12.527 1.00 19.83 C ATOM 1018 CD LYS A 213 2.741 -21.171 13.666 1.00 23.30 C ATOM 1019 CE LYS A 213 3.384 -21.004 15.030 1.00 27.81 C ATOM 1020 NZ LYS A 213 2.427 -21.175 16.169 1.00 31.40 N ATOM 1021 HZ1 LYS A 213 1.670 -20.466 16.093 1.00 0.00 H ATOM 1022 HZ2 LYS A 213 2.015 -22.129 16.134 1.00 0.00 H ATOM 1023 HZ3 LYS A 213 2.934 -21.048 17.068 1.00 0.00 H ATOM 1024 H LYS A 213 6.303 -17.954 12.120 1.00 0.00 H ATOM 1025 N LEU A 214 4.247 -20.145 9.052 1.00 12.49 N ATOM 1026 CA LEU A 214 3.414 -19.802 7.881 1.00 12.29 C ATOM 1027 C LEU A 214 2.090 -20.536 7.933 1.00 13.54 C ATOM 1028 O LEU A 214 2.054 -21.729 8.287 1.00 13.05 O ATOM 1029 CB LEU A 214 4.143 -20.130 6.566 1.00 11.75 C ATOM 1030 CG LEU A 214 5.520 -19.508 6.353 1.00 12.00 C ATOM 1031 CD1 LEU A 214 5.993 -19.861 4.938 1.00 11.64 C ATOM 1032 CD2 LEU A 214 5.512 -17.987 6.598 1.00 12.14 C ATOM 1033 H LEU A 214 4.681 -21.088 9.121 1.00 0.00 H ATOM 1034 N THR A 215 0.998 -19.834 7.590 1.00 13.84 N ATOM 1035 CA THR A 215 -0.286 -20.512 7.433 1.00 14.98 C ATOM 1036 C THR A 215 -0.584 -20.600 5.943 1.00 14.50 C ATOM 1037 O THR A 215 -0.455 -19.599 5.241 1.00 14.15 O ATOM 1038 CB THR A 215 -1.433 -19.760 8.159 1.00 15.82 C ATOM 1039 OG1 THR A 215 -1.140 -19.725 9.547 1.00 18.24 O ATOM 1040 CG2 THR A 215 -2.769 -20.476 7.941 1.00 16.78 C ATOM 1041 HG1 THR A 215 -1.864 -19.247 10.024 1.00 0.00 H ATOM 1042 H THR A 215 1.067 -18.808 7.436 1.00 0.00 H ATOM 1043 N PHE A 216 -0.947 -21.796 5.466 1.00 14.06 N ATOM 1044 CA PHE A 216 -1.416 -21.956 4.089 1.00 14.19 C ATOM 1045 C PHE A 216 -2.768 -22.639 4.093 1.00 14.65 C ATOM 1046 O PHE A 216 -2.956 -23.636 4.799 1.00 16.08 O ATOM 1047 CB PHE A 216 -0.470 -22.838 3.270 1.00 13.09 C ATOM 1048 CG PHE A 216 0.821 -22.197 2.858 1.00 12.92 C ATOM 1049 CD1 PHE A 216 0.926 -21.549 1.631 1.00 12.51 C ATOM 1050 CD2 PHE A 216 1.978 -22.326 3.656 1.00 12.38 C ATOM 1051 CE1 PHE A 216 2.132 -20.989 1.210 1.00 12.99 C ATOM 1052 CE2 PHE A 216 3.185 -21.782 3.237 1.00 12.53 C ATOM 1053 CZ PHE A 216 3.271 -21.110 2.007 1.00 12.51 C ATOM 1054 H PHE A 216 -0.895 -22.629 6.086 1.00 0.00 H ATOM 1055 N GLU A 217 -3.709 -22.108 3.312 1.00 14.82 N ATOM 1056 CA GLU A 217 -4.905 -22.865 2.926 1.00 16.44 C ATOM 1057 C GLU A 217 -4.515 -23.576 1.654 1.00 14.70 C ATOM 1058 O GLU A 217 -4.038 -22.935 0.726 1.00 15.72 O ATOM 1059 CB GLU A 217 -6.079 -21.955 2.593 1.00 19.29 C ATOM 1060 CG GLU A 217 -6.777 -21.358 3.775 1.00 25.04 C ATOM 1061 CD GLU A 217 -8.115 -20.730 3.399 1.00 28.59 C ATOM 1062 OE1 GLU A 217 -8.380 -20.460 2.193 1.00 28.59 O ATOM 1063 OE2 GLU A 217 -8.905 -20.503 4.340 1.00 32.93 O ATOM 1064 H GLU A 217 -3.592 -21.133 2.968 1.00 0.00 H ATOM 1065 N VAL A 218 -4.675 -24.894 1.608 1.00 13.64 N ATOM 1066 CA VAL A 218 -4.264 -25.665 0.424 1.00 12.56 C ATOM 1067 C VAL A 218 -5.457 -26.512 0.051 1.00 12.75 C ATOM 1068 O VAL A 218 -6.031 -27.184 0.920 1.00 12.16 O ATOM 1069 CB VAL A 218 -3.064 -26.606 0.736 1.00 12.47 C ATOM 1070 CG1 VAL A 218 -2.578 -27.353 -0.520 1.00 11.68 C ATOM 1071 CG2 VAL A 218 -1.935 -25.808 1.361 1.00 12.89 C ATOM 1072 H VAL A 218 -5.097 -25.388 2.420 1.00 0.00 H ATOM 1073 N GLU A 219 -5.849 -26.420 -1.219 1.00 14.00 N ATOM 1074 CA GLU A 219 -6.841 -27.345 -1.781 1.00 14.89 C ATOM 1075 C GLU A 219 -6.173 -28.253 -2.814 1.00 13.50 C ATOM 1076 O GLU A 219 -5.605 -27.787 -3.792 1.00 14.36 O ATOM 1077 CB GLU A 219 -7.992 -26.586 -2.425 1.00 17.48 C ATOM 1078 CG GLU A 219 -9.138 -27.500 -2.861 1.00 19.98 C ATOM 1079 CD GLU A 219 -10.195 -26.749 -3.664 1.00 24.41 C ATOM 1080 OE1 GLU A 219 -10.066 -25.520 -3.884 1.00 24.93 O ATOM 1081 OE2 GLU A 219 -11.170 -27.393 -4.080 1.00 27.46 O ATOM 1082 H GLU A 219 -5.444 -25.678 -1.825 1.00 0.00 H ATOM 1083 N LEU A 220 -6.216 -29.553 -2.549 1.00 13.24 N ATOM 1084 CA LEU A 220 -5.628 -30.538 -3.413 1.00 12.21 C ATOM 1085 C LEU A 220 -6.735 -30.890 -4.424 1.00 13.36 C ATOM 1086 O LEU A 220 -7.707 -31.575 -4.083 1.00 13.86 O ATOM 1087 CB LEU A 220 -5.214 -31.773 -2.588 1.00 11.44 C ATOM 1088 CG LEU A 220 -4.746 -33.007 -3.356 1.00 10.58 C ATOM 1089 CD1 LEU A 220 -3.605 -32.690 -4.317 1.00 10.28 C ATOM 1090 CD2 LEU A 220 -4.333 -34.098 -2.360 1.00 10.51 C ATOM 1091 H LEU A 220 -6.694 -29.871 -1.682 1.00 0.00 H ATOM 1092 N VAL A 221 -6.573 -30.388 -5.637 1.00 14.98 N ATOM 1093 CA VAL A 221 -7.592 -30.509 -6.717 1.00 17.51 C ATOM 1094 C VAL A 221 -7.438 -31.823 -7.507 1.00 17.12 C ATOM 1095 O VAL A 221 -8.439 -32.455 -7.918 1.00 16.96 O ATOM 1096 CB VAL A 221 -7.555 -29.233 -7.597 1.00 18.82 C ATOM 1097 CG1 VAL A 221 -8.049 -29.451 -9.025 1.00 23.72 C ATOM 1098 CG2 VAL A 221 -8.400 -28.169 -6.916 1.00 21.14 C ATOM 1099 H VAL A 221 -5.689 -29.883 -5.848 1.00 0.00 H ATOM 1100 N ASP A 222 -6.199 -32.234 -7.734 1.00 16.06 N ATOM 1101 CA ASP A 222 -5.972 -33.444 -8.533 1.00 16.53 C ATOM 1102 C ASP A 222 -4.642 -34.092 -8.243 1.00 16.21 C ATOM 1103 O ASP A 222 -3.721 -33.431 -7.727 1.00 14.29 O ATOM 1104 CB ASP A 222 -6.054 -33.105 -10.031 1.00 18.40 C ATOM 1105 CG ASP A 222 -6.560 -34.287 -10.878 1.00 20.81 C ATOM 1106 OD1 ASP A 222 -6.762 -35.403 -10.358 1.00 20.86 O ATOM 1107 OD2 ASP A 222 -6.744 -34.070 -12.079 1.00 24.57 O ATOM 1108 H ASP A 222 -5.392 -31.703 -7.348 1.00 0.00 H ATOM 1109 N ILE A 223 -4.532 -35.379 -8.601 1.00 14.68 N ATOM 1110 CA ILE A 223 -3.292 -36.128 -8.448 1.00 14.91 C ATOM 1111 C ILE A 223 -3.047 -36.887 -9.755 1.00 16.04 C ATOM 1112 O ILE A 223 -3.973 -37.512 -10.278 1.00 16.41 O ATOM 1113 CB ILE A 223 -3.370 -37.136 -7.262 1.00 14.50 C ATOM 1114 CG1 ILE A 223 -3.823 -36.465 -5.950 1.00 13.94 C ATOM 1115 CG2 ILE A 223 -2.055 -37.892 -7.079 1.00 14.80 C ATOM 1116 CD1 ILE A 223 -4.226 -37.447 -4.852 1.00 13.30 C ATOM 1117 H ILE A 223 -5.362 -35.860 -9.003 1.00 0.00 H ATOM 1118 N ASP A 224 -1.826 -36.810 -10.283 1.00 16.66 N ATOM 1119 CA ASP A 224 -1.394 -37.656 -11.402 1.00 18.69 C ATOM 1120 C ASP A 224 -0.492 -38.730 -10.841 1.00 18.37 C ATOM 1121 O ASP A 224 0.502 -38.413 -10.173 1.00 16.77 O ATOM 1122 CB ASP A 224 -0.611 -36.859 -12.448 1.00 20.73 C ATOM 1123 CG ASP A 224 -1.390 -35.690 -12.994 1.00 22.54 C ATOM 1124 OD1 ASP A 224 -2.623 -35.790 -13.065 1.00 24.62 O ATOM 1125 OD2 ASP A 224 -0.760 -34.662 -13.333 1.00 24.53 O ATOM 1126 H ASP A 224 -1.153 -36.124 -9.887 1.00 0.00 H ATOM 1127 N LEU A 225 -0.815 -39.991 -11.105 1.00 18.32 N ATOM 1128 CA LEU A 225 -0.092 -41.093 -10.462 1.00 21.68 C ATOM 1129 C LEU A 225 1.267 -41.347 -11.128 1.00 25.33 C ATOM 1130 O LEU A 225 1.455 -42.328 -11.829 1.00 30.28 O ATOM 1131 CB LEU A 225 -0.950 -42.376 -10.408 1.00 20.91 C ATOM 1132 CG LEU A 225 -2.298 -42.283 -9.691 1.00 21.50 C ATOM 1133 CD1 LEU A 225 -3.033 -43.616 -9.762 1.00 20.61 C ATOM 1134 CD2 LEU A 225 -2.108 -41.841 -8.246 1.00 21.17 C ATOM 1135 H LEU A 225 -1.586 -40.198 -11.772 1.00 0.00 H ATOM 1136 N GLU A 226 2.212 -40.452 -10.888 1.00 31.99 N ATOM 1137 CA GLU A 226 3.524 -40.477 -11.556 1.00 36.21 C ATOM 1138 C GLU A 226 4.468 -41.398 -10.822 1.00 38.37 C ATOM 1139 O GLU A 226 5.534 -41.768 -11.348 1.00 40.06 O ATOM 1140 CB GLU A 226 4.115 -39.063 -11.617 1.00 38.90 C ATOM 1141 CG GLU A 226 4.683 -38.673 -12.964 1.00 45.28 C ATOM 1142 CD GLU A 226 3.596 -38.580 -14.010 1.00 49.54 C ATOM 1143 OE1 GLU A 226 2.743 -37.671 -13.900 1.00 51.83 O ATOM 1144 OE2 GLU A 226 3.583 -39.437 -14.923 1.00 51.85 O ATOM 1145 H GLU A 226 2.020 -39.698 -10.198 1.00 0.00 H ATOM 1146 N HIS A 227 4.089 -41.758 -9.596 1.00 38.53 N ATOM 1147 CA HIS A 227 4.840 -42.747 -8.814 1.00 39.33 C ATOM 1148 C HIS A 227 4.981 -44.113 -9.539 1.00 39.49 C ATOM 1149 O HIS A 227 5.869 -44.895 -9.179 1.00 37.88 O ATOM 1150 CB HIS A 227 4.244 -42.925 -7.403 1.00 37.01 C ATOM 1151 CG HIS A 227 3.054 -43.839 -7.355 1.00 38.22 C ATOM 1152 ND1 HIS A 227 1.774 -43.417 -7.653 1.00 37.11 N ATOM 1153 CD2 HIS A 227 2.955 -45.156 -7.056 1.00 38.40 C ATOM 1154 CE1 HIS A 227 0.937 -44.431 -7.534 1.00 38.71 C ATOM 1155 NE2 HIS A 227 1.627 -45.499 -7.176 1.00 39.62 N ATOM 1156 H HIS A 227 3.238 -41.326 -9.182 1.00 0.00 H ATOM 1157 N HIS A 228 4.116 -44.388 -10.532 1.00 38.68 N ATOM 1158 CA HIS A 228 4.201 -45.622 -11.355 1.00 41.15 C ATOM 1159 C HIS A 228 5.523 -45.696 -12.134 1.00 45.37 C ATOM 1160 O HIS A 228 6.585 -46.016 -11.587 1.00 48.32 O ATOM 1161 CB HIS A 228 3.068 -45.701 -12.386 1.00 39.04 C ATOM 1162 CG HIS A 228 1.703 -45.907 -11.808 1.00 33.34 C ATOM 1163 ND1 HIS A 228 0.579 -45.320 -12.350 1.00 33.12 N ATOM 1164 CD2 HIS A 228 1.271 -46.645 -10.759 1.00 33.54 C ATOM 1165 CE1 HIS A 228 -0.486 -45.688 -11.660 1.00 30.45 C ATOM 1166 NE2 HIS A 228 -0.091 -46.485 -10.685 1.00 31.78 N ATOM 1167 H HIS A 228 3.355 -43.708 -10.732 1.00 0.00 H TER 1168 HIS A 228 HETATM 1169 O HOH 1 3.142 -35.457 7.636 1.00 25.54 O HETATM 1170 O HOH 2 -6.819 -16.091 -1.468 1.00 42.94 O HETATM 1171 O HOH 3 -6.832 -36.473 4.858 1.00 23.67 O HETATM 1172 O HOH 4 4.294 -22.404 17.506 1.00 34.48 O HETATM 1173 O HOH 5 12.842 -26.502 1.753 1.00 31.88 O HETATM 1174 O HOH 6 -9.112 -23.367 -2.712 1.00 24.81 O HETATM 1175 O HOH 7 -2.101 -27.571 -12.827 1.00 36.50 O HETATM 1176 O HOH 8 -3.319 -19.234 -10.830 1.00 36.91 O HETATM 1177 O HOH 9 -11.118 -21.546 -1.852 1.00 43.14 O HETATM 1178 O HOH 10 -7.193 -20.415 -0.199 1.00 26.71 O HETATM 1179 O HOH 11 7.120 -39.623 4.556 1.00 44.90 O HETATM 1180 O HOH 12 -1.517 -41.873 -5.099 1.00 25.43 O HETATM 1181 O HOH 13 12.034 -36.214 9.290 1.00 41.19 O HETATM 1182 O HOH 14 -4.509 -34.070 -13.872 1.00 43.81 O HETATM 1183 O HOH 15 -13.369 -10.342 -9.886 1.00 33.71 O HETATM 1184 O HOH 16 11.234 -17.732 7.992 1.00 12.50 O HETATM 1185 O HOH 17 -12.262 -29.844 -3.848 1.00 46.77 O HETATM 1186 O HOH 18 -10.159 -35.171 3.783 1.00 26.80 O HETATM 1187 O HOH 19 13.088 -34.420 -9.797 1.00 57.41 O HETATM 1188 O HOH 20 16.602 -21.951 -0.594 1.00 37.90 O HETATM 1189 O HOH 21 -10.990 -32.375 -6.982 1.00 41.59 O HETATM 1190 O HOH 22 3.911 -36.934 5.544 1.00 30.73 O HETATM 1191 O HOH 23 13.009 -27.578 5.976 1.00 27.11 O HETATM 1192 O HOH 24 7.788 -43.833 -7.533 1.00 53.95 O HETATM 1193 O HOH 25 15.157 -16.938 -1.111 1.00 35.05 O HETATM 1194 O HOH 26 14.541 -28.665 -1.249 1.00 46.34 O HETATM 1195 O HOH 27 8.670 -32.445 -3.704 1.00 15.29 O HETATM 1196 O HOH 28 0.738 -40.883 1.310 1.00 18.76 O HETATM 1197 O HOH 29 -9.089 -37.871 3.804 1.00 35.25 O HETATM 1198 O HOH 30 4.477 -11.016 -0.734 1.00 36.46 O HETATM 1199 O HOH 31 13.501 -12.287 4.872 1.00 35.55 O HETATM 1200 O HOH 32 -14.358 -24.539 -1.826 1.00 39.51 O HETATM 1201 O HOH 33 -1.891 -14.476 -8.593 1.00 55.68 O HETATM 1202 O HOH 34 13.239 -30.362 6.543 1.00 41.80 O HETATM 1203 O HOH 35 -0.761 -21.732 -10.020 1.00 20.66 O HETATM 1204 O HOH 36 4.358 -15.424 10.613 1.00 15.24 O HETATM 1205 O HOH 37 -15.675 -37.647 1.465 1.00 36.04 O HETATM 1206 O HOH 38 -9.046 -31.400 11.004 1.00 28.08 O HETATM 1207 O HOH 39 7.920 -27.245 -8.687 1.00 31.08 O HETATM 1208 O HOH 40 -3.733 -26.063 11.113 1.00 24.49 O HETATM 1209 O HOH 41 -2.793 -18.888 11.699 1.00 41.14 O HETATM 1210 O HOH 42 -3.557 -18.699 4.607 1.00 18.53 O HETATM 1211 O HOH 43 9.209 -19.453 7.153 1.00 10.83 O HETATM 1212 O HOH 44 1.064 -16.693 -7.195 1.00 33.33 O HETATM 1213 O HOH 45 12.930 -13.436 14.194 1.00 22.43 O HETATM 1214 O HOH 46 8.945 -13.885 12.362 1.00 25.87 O HETATM 1215 O HOH 47 8.802 -15.249 14.873 1.00 38.60 O HETATM 1216 O HOH 48 5.971 -16.581 13.337 1.00 22.17 O HETATM 1217 O HOH 49 -3.014 -40.900 -12.744 1.00 28.35 O HETATM 1218 O HOH 50 10.645 -30.764 1.151 1.00 30.43 O HETATM 1219 O HOH 51 11.397 -26.261 4.120 1.00 16.02 O HETATM 1220 O HOH 52 14.176 -34.211 8.883 1.00 49.11 O HETATM 1221 O HOH 53 16.174 -12.075 -4.709 1.00 47.99 O HETATM 1222 O HOH 54 15.153 -20.917 3.677 1.00 37.29 O HETATM 1223 O HOH 55 5.764 -25.681 -10.041 1.00 45.47 O HETATM 1224 O HOH 56 -2.590 -8.849 3.439 1.00 28.22 O HETATM 1225 O HOH 57 6.129 -43.921 -4.002 1.00 32.64 O HETATM 1226 O HOH 58 -7.490 -19.165 -9.984 1.00 36.42 O HETATM 1227 O HOH 59 14.377 -23.652 5.404 1.00 33.60 O HETATM 1228 O HOH 60 2.553 -25.134 -11.811 1.00 32.13 O HETATM 1229 O HOH 61 -10.155 -35.851 -11.184 1.00 55.64 O HETATM 1230 O HOH 62 -7.374 -14.845 -3.951 1.00 43.32 O HETATM 1231 O HOH 63 -6.514 -32.940 10.087 1.00 43.66 O HETATM 1232 O HOH 64 -2.144 -31.889 12.783 1.00 29.57 O HETATM 1233 O HOH 65 -4.467 -43.506 -2.979 1.00 28.76 O HETATM 1234 O HOH 66 0.720 -33.006 12.633 1.00 35.73 O HETATM 1235 O HOH 67 -6.930 -23.024 -1.163 1.00 20.73 O HETATM 1236 O HOH 68 2.204 -25.233 13.900 1.00 35.05 O HETATM 1237 O HOH 69 7.986 -30.398 -9.474 1.00 24.52 O HETATM 1238 O HOH 70 -10.702 -26.400 -9.106 1.00 46.55 O HETATM 1239 O HOH 71 4.749 -42.585 -0.371 1.00 19.62 O HETATM 1240 O HOH 72 -2.918 -46.251 -0.300 1.00 53.56 O HETATM 1241 O HOH 73 3.524 -12.227 11.543 1.00 35.54 O HETATM 1242 O HOH 74 -16.582 -31.233 4.148 1.00 25.54 O HETATM 1243 O HOH 75 4.797 -8.660 8.724 1.00 59.97 O HETATM 1244 O HOH 76 5.773 -39.302 6.548 1.00 37.11 O HETATM 1245 O HOH 77 -4.284 -41.440 -5.383 1.00 39.38 O HETATM 1246 O HOH 78 7.792 -35.874 2.096 1.00 35.05 O HETATM 1247 O HOH 79 -5.970 -45.915 -3.731 1.00 45.27 O HETATM 1248 O HOH 80 -1.296 -20.493 -14.958 1.00 34.52 O HETATM 1249 O HOH 81 10.169 -35.358 2.558 1.00 49.10 O HETATM 1250 O HOH 82 -5.416 -29.806 14.615 1.00 52.27 O HETATM 1251 O HOH 83 8.581 -29.903 17.197 1.00 37.27 O HETATM 1252 O HOH 84 -2.389 -7.075 7.907 1.00 57.55 O HETATM 1253 O HOH 85 -14.844 -30.818 8.658 1.00 46.32 O HETATM 1254 O HOH 86 13.139 -33.028 11.291 1.00 44.18 O HETATM 1255 O HOH 87 4.754 -30.530 -13.053 1.00 42.14 O HETATM 1256 O HOH 88 14.275 -33.766 3.799 1.00 48.29 O HETATM 1257 O HOH 89 3.069 -12.217 14.523 1.00 40.48 O HETATM 1258 O HOH 90 14.634 -35.916 -0.747 1.00 54.34 O HETATM 1259 O HOH 91 8.625 -24.691 -11.859 1.00 54.96 O HETATM 1260 O HOH 92 3.244 -30.611 21.154 1.00 67.51 O HETATM 1261 O HOH 93 13.147 -34.289 1.238 1.00 44.98 O HETATM 1262 O HOH 94 -1.416 -11.168 -2.595 1.00 42.98 O HETATM 1263 O HOH 95 -8.237 -36.098 7.790 1.00 51.21 O HETATM 1264 O HOH 96 5.554 -13.119 -4.645 1.00 36.39 O HETATM 1265 O HOH 97 18.178 -15.128 1.816 1.00 55.21 O HETATM 1266 O HOH 98 -6.187 -29.384 -12.740 1.00 47.33 O HETATM 1267 O HOH 99 -9.751 -40.703 5.611 1.00 48.92 O HETATM 1268 O HOH 100 9.266 -10.960 12.646 1.00 42.65 O HETATM 1269 O HOH 101 14.035 -37.199 4.795 1.00 55.00 O HETATM 1270 O HOH 102 7.412 -10.372 -6.642 1.00 62.29 O HETATM 1271 O HOH 103 -11.134 -35.947 6.669 1.00 39.84 O HETATM 1272 O HOH 104 6.212 -13.366 11.155 1.00 43.11 O HETATM 1273 O HOH 105 8.021 -33.277 -12.798 1.00 48.68 O HETATM 1274 O HOH 106 -6.818 -11.810 -0.001 1.00 42.75 O HETATM 1275 C1 FK A 5 6.883 -23.674 -2.082 1.00 0.26 C HETATM 1276 C2 FK A 5 5.752 -23.053 -1.328 1.00 0.15 C HETATM 1277 C3 FK A 5 4.621 -24.075 -1.201 1.00 -0.01 C HETATM 1278 C4 FK A 5 3.846 -24.227 -2.505 1.00 -0.05 C HETATM 1279 C5 FK A 5 3.289 -22.857 -2.920 1.00 -0.03 C HETATM 1280 C6 FK A 5 4.406 -21.825 -3.121 1.00 0.04 C HETATM 1281 N7 FK A 5 5.248 -21.759 -1.876 1.00 -0.24 N HETATM 1282 C8 FK A 5 5.559 -20.649 -1.181 1.00 0.28 C HETATM 1283 C9 FK A 5 4.981 -19.353 -1.581 1.00 0.29 C HETATM 1284 C10 FK A 5 5.850 -18.331 -2.316 1.00 0.25 C HETATM 1285 C11 FK A 5 7.169 -17.975 -1.591 1.00 0.02 C HETATM 1286 C12 FK A 5 8.020 -16.991 -2.396 1.00 -0.02 C HETATM 1287 C13 FK A 5 8.281 -17.479 -3.820 1.00 0.09 C HETATM 1288 C14 FK A 5 6.997 -18.004 -4.470 1.00 0.11 C HETATM 1289 C15 FK A 5 7.244 -18.656 -5.830 1.00 0.09 C HETATM 1290 C16 FK A 5 5.883 -19.195 -6.297 1.00 -0.02 C HETATM 1291 C17 FK A 5 5.918 -20.130 -7.495 1.00 -0.03 C HETATM 1292 C18 FK A 5 6.507 -19.481 -8.775 1.00 -0.03 C HETATM 1293 C19 FK A 5 7.286 -20.577 -9.465 1.00 -0.08 C HETATM 1294 C20 FK A 5 8.588 -20.765 -9.145 1.00 -0.09 C HETATM 1295 C21 FK A 5 9.426 -21.891 -9.725 1.00 0.05 C HETATM 1296 C22 FK A 5 9.732 -22.853 -8.589 1.00 0.12 C HETATM 1297 C23 FK A 5 8.640 -23.766 -8.066 1.00 0.05 C HETATM 1298 C24 FK A 5 8.847 -24.183 -6.606 1.00 0.08 C HETATM 1299 C25 FK A 5 7.826 -23.528 -5.677 1.00 0.02 C HETATM 1300 C26 FK A 5 8.151 -23.787 -4.191 1.00 0.12 C HETATM 1301 C27 FK A 5 9.491 -23.268 -3.720 1.00 -0.05 C HETATM 1302 C28 FK A 5 10.396 -24.166 -3.268 1.00 -0.10 C HETATM 1303 C29 FK A 5 11.785 -23.838 -2.754 1.00 -0.03 C HETATM 1304 C30 FK A 5 11.851 -24.064 -1.231 1.00 -0.02 C HETATM 1305 C31 FK A 5 13.277 -23.854 -0.672 1.00 0.09 C HETATM 1306 C32 FK A 5 14.272 -24.752 -1.412 1.00 0.08 C HETATM 1307 C33 FK A 5 14.243 -24.592 -2.943 1.00 -0.02 C HETATM 1308 C34 FK A 5 12.810 -24.700 -3.516 1.00 -0.04 C HETATM 1309 H36 FK A 5 12.828 -24.375 -4.567 1.00 0.03 H HETATM 1310 H37 FK A 5 12.491 -25.751 -3.463 1.00 0.03 H HETATM 1311 H34 FK A 5 14.865 -25.380 -3.393 1.00 0.03 H HETATM 1312 H35 FK A 5 14.655 -23.606 -3.204 1.00 0.03 H HETATM 1313 O12 FK A 5 15.585 -24.447 -0.945 1.00 -0.39 O HETATM 1314 H69 FK A 5 15.804 -23.553 -1.181 1.00 0.21 H HETATM 1315 H33 FK A 5 14.035 -25.799 -1.172 1.00 0.06 H HETATM 1316 O11 FK A 5 13.348 -24.152 0.738 1.00 -0.38 O HETATM 1317 C45 FK A 5 13.406 -23.020 1.613 1.00 0.04 C HETATM 1318 H64 FK A 5 13.457 -23.365 2.656 1.00 0.05 H HETATM 1319 H65 FK A 5 12.506 -22.403 1.475 1.00 0.05 H HETATM 1320 H66 FK A 5 14.300 -22.422 1.380 1.00 0.05 H HETATM 1321 H32 FK A 5 13.559 -22.802 -0.826 1.00 0.06 H HETATM 1322 H30 FK A 5 11.532 -25.094 -1.011 1.00 0.03 H HETATM 1323 H31 FK A 5 11.169 -23.356 -0.738 1.00 0.03 H HETATM 1324 H29 FK A 5 12.000 -22.778 -2.955 1.00 0.04 H HETATM 1325 H28 FK A 5 10.102 -25.215 -3.274 1.00 0.02 H HETATM 1326 C42 FK A 5 9.733 -21.774 -3.730 1.00 -0.04 C HETATM 1327 H55 FK A 5 10.748 -21.564 -3.361 1.00 0.04 H HETATM 1328 H56 FK A 5 8.997 -21.279 -3.080 1.00 0.04 H HETATM 1329 H57 FK A 5 9.630 -21.393 -4.757 1.00 0.04 H HETATM 1330 O1 FK A 5 7.120 -23.188 -3.417 1.00 -0.26 O HETATM 1331 H27 FK A 5 8.140 -24.875 -4.027 1.00 0.08 H HETATM 1332 C41 FK A 5 6.386 -23.939 -6.017 1.00 -0.06 C HETATM 1333 H52 FK A 5 6.190 -23.741 -7.081 1.00 0.02 H HETATM 1334 H53 FK A 5 5.684 -23.359 -5.401 1.00 0.02 H HETATM 1335 H54 FK A 5 6.253 -25.012 -5.813 1.00 0.02 H HETATM 1336 H26 FK A 5 7.897 -22.442 -5.838 1.00 0.04 H HETATM 1337 O10 FK A 5 8.770 -25.617 -6.535 1.00 -0.39 O HETATM 1338 H68 FK A 5 8.945 -25.899 -5.645 1.00 0.21 H HETATM 1339 H25 FK A 5 9.851 -23.866 -6.288 1.00 0.06 H HETATM 1340 H23 FK A 5 8.615 -24.673 -8.688 1.00 0.05 H HETATM 1341 H24 FK A 5 7.677 -23.240 -8.146 1.00 0.05 H HETATM 1342 O9 FK A 5 10.833 -22.923 -8.069 1.00 -0.39 O HETATM 1343 C38 FK A 5 10.687 -21.399 -10.453 1.00 -0.00 C HETATM 1344 C39 FK A 5 10.353 -20.824 -11.814 1.00 -0.09 C HETATM 1345 C40 FK A 5 10.176 -21.639 -12.838 1.00 -0.12 C HETATM 1346 H50 FK A 5 9.936 -21.235 -13.820 1.00 0.03 H HETATM 1347 H51 FK A 5 10.271 -22.715 -12.700 1.00 0.03 H HETATM 1348 H49 FK A 5 10.260 -19.747 -11.947 1.00 0.07 H HETATM 1349 H47 FK A 5 11.378 -22.245 -10.582 1.00 0.05 H HETATM 1350 H48 FK A 5 11.170 -20.620 -9.845 1.00 0.05 H HETATM 1351 H22 FK A 5 8.814 -22.423 -10.469 1.00 0.06 H HETATM 1352 H21 FK A 5 9.055 -20.078 -8.441 1.00 0.03 H HETATM 1353 C37 FK A 5 6.569 -21.466 -10.456 1.00 -0.04 C HETATM 1354 H44 FK A 5 7.275 -22.205 -10.863 1.00 0.04 H HETATM 1355 H45 FK A 5 6.167 -20.852 -11.276 1.00 0.04 H HETATM 1356 H46 FK A 5 5.743 -21.988 -9.950 1.00 0.04 H HETATM 1357 H19 FK A 5 7.172 -18.645 -8.511 1.00 0.04 H HETATM 1358 H20 FK A 5 5.700 -19.115 -9.427 1.00 0.04 H HETATM 1359 C36 FK A 5 4.521 -20.748 -7.667 1.00 -0.06 C HETATM 1360 H41 FK A 5 4.191 -21.180 -6.711 1.00 0.02 H HETATM 1361 H42 FK A 5 4.561 -21.538 -8.432 1.00 0.02 H HETATM 1362 H43 FK A 5 3.811 -19.968 -7.981 1.00 0.02 H HETATM 1363 H18 FK A 5 6.599 -20.955 -7.239 1.00 0.03 H HETATM 1364 H16 FK A 5 5.251 -18.334 -6.559 1.00 0.03 H HETATM 1365 H17 FK A 5 5.429 -19.740 -5.456 1.00 0.03 H HETATM 1366 O8 FK A 5 8.287 -19.654 -5.839 1.00 -0.38 O HETATM 1367 C44 FK A 5 9.584 -19.211 -6.300 1.00 0.04 C HETATM 1368 H61 FK A 5 10.293 -20.051 -6.263 1.00 0.05 H HETATM 1369 H62 FK A 5 9.945 -18.398 -5.653 1.00 0.05 H HETATM 1370 H63 FK A 5 9.501 -18.847 -7.335 1.00 0.05 H HETATM 1371 H15 FK A 5 7.559 -17.868 -6.530 1.00 0.06 H HETATM 1372 O5 FK A 5 6.202 -18.868 -3.605 1.00 -0.34 O HETATM 1373 H14 FK A 5 6.377 -17.116 -4.663 1.00 0.06 H HETATM 1374 O7 FK A 5 8.795 -16.422 -4.667 1.00 -0.38 O HETATM 1375 C43 FK A 5 10.189 -16.133 -4.459 1.00 0.04 C HETATM 1376 H58 FK A 5 10.501 -15.324 -5.136 1.00 0.05 H HETATM 1377 H59 FK A 5 10.785 -17.034 -4.666 1.00 0.05 H HETATM 1378 H60 FK A 5 10.347 -15.820 -3.416 1.00 0.05 H HETATM 1379 H13 FK A 5 9.020 -18.292 -3.775 1.00 0.06 H HETATM 1380 H11 FK A 5 8.985 -16.858 -1.885 1.00 0.03 H HETATM 1381 H12 FK A 5 7.495 -16.026 -2.444 1.00 0.03 H HETATM 1382 C35 FK A 5 6.969 -17.429 -0.191 1.00 -0.06 C HETATM 1383 H38 FK A 5 6.357 -18.133 0.393 1.00 0.02 H HETATM 1384 H39 FK A 5 6.457 -16.457 -0.246 1.00 0.02 H HETATM 1385 H40 FK A 5 7.947 -17.302 0.296 1.00 0.02 H HETATM 1386 H10 FK A 5 7.741 -18.910 -1.498 1.00 0.03 H HETATM 1387 O6 FK A 5 5.056 -17.146 -2.455 1.00 -0.36 O HETATM 1388 H67 FK A 5 4.259 -17.354 -2.928 1.00 0.21 H HETATM 1389 O4 FK A 5 3.808 -19.092 -1.299 1.00 -0.29 O HETATM 1390 O3 FK A 5 6.308 -20.673 -0.192 1.00 -0.36 O HETATM 1391 H8 FK A 5 3.963 -20.837 -3.319 1.00 0.05 H HETATM 1392 H9 FK A 5 5.033 -22.123 -3.974 1.00 0.05 H HETATM 1393 H6 FK A 5 2.608 -22.497 -2.135 1.00 0.03 H HETATM 1394 H7 FK A 5 2.734 -22.969 -3.863 1.00 0.03 H HETATM 1395 H4 FK A 5 3.016 -24.934 -2.360 1.00 0.03 H HETATM 1396 H5 FK A 5 4.517 -24.605 -3.290 1.00 0.03 H HETATM 1397 H2 FK A 5 3.929 -23.744 -0.412 1.00 0.03 H HETATM 1398 H3 FK A 5 5.051 -25.050 -0.927 1.00 0.03 H HETATM 1399 H1 FK A 5 6.124 -22.838 -0.316 1.00 0.08 H HETATM 1400 O2 FK A 5 7.588 -24.546 -1.562 1.00 -0.37 O CONECT 1 2 7 8 9 CONECT 8 1 CONECT 9 1 CONECT 1275 1276 1330 1400 CONECT 1276 1275 1277 1281 1399 CONECT 1277 1276 1278 1397 1398 CONECT 1278 1277 1279 1395 1396 CONECT 1279 1278 1280 1393 1394 CONECT 1280 1279 1281 1391 1392 CONECT 1281 1276 1280 1282 CONECT 1282 1281 1283 1390 CONECT 1283 1282 1284 1389 CONECT 1284 1283 1285 1372 1387 CONECT 1285 1284 1286 1382 1386 CONECT 1286 1285 1287 1380 1381 CONECT 1287 1286 1288 1374 1379 CONECT 1288 1287 1289 1372 1373 CONECT 1289 1288 1290 1366 1371 CONECT 1290 1289 1291 1364 1365 CONECT 1291 1290 1292 1359 1363 CONECT 1292 1291 1293 1357 1358 CONECT 1293 1292 1294 1353 CONECT 1294 1293 1295 1352 CONECT 1295 1294 1296 1343 1351 CONECT 1296 1295 1297 1342 CONECT 1297 1296 1298 1340 1341 CONECT 1298 1297 1299 1337 1339 CONECT 1299 1298 1300 1332 1336 CONECT 1300 1299 1301 1330 1331 CONECT 1301 1300 1302 1326 CONECT 1302 1301 1303 1325 CONECT 1303 1302 1304 1308 1324 CONECT 1304 1303 1305 1322 1323 CONECT 1305 1304 1306 1316 1321 CONECT 1306 1305 1307 1313 1315 CONECT 1307 1306 1308 1311 1312 CONECT 1308 1303 1307 1309 1310 CONECT 1309 1308 CONECT 1310 1308 CONECT 1311 1307 CONECT 1312 1307 CONECT 1313 1306 1314 CONECT 1314 1313 CONECT 1315 1306 CONECT 1316 1305 1317 CONECT 1317 1316 1318 1319 1320 CONECT 1318 1317 CONECT 1319 1317 CONECT 1320 1317 CONECT 1321 1305 CONECT 1322 1304 CONECT 1323 1304 CONECT 1324 1303 CONECT 1325 1302 CONECT 1326 1301 1327 1328 1329 CONECT 1327 1326 CONECT 1328 1326 CONECT 1329 1326 CONECT 1330 1275 1300 CONECT 1331 1300 CONECT 1332 1299 1333 1334 1335 CONECT 1333 1332 CONECT 1334 1332 CONECT 1335 1332 CONECT 1336 1299 CONECT 1337 1298 1338 CONECT 1338 1337 CONECT 1339 1298 CONECT 1340 1297 CONECT 1341 1297 CONECT 1342 1296 CONECT 1343 1295 1344 1349 1350 CONECT 1344 1343 1345 1348 CONECT 1345 1344 1346 1347 CONECT 1346 1345 CONECT 1347 1345 CONECT 1348 1344 CONECT 1349 1343 CONECT 1350 1343 CONECT 1351 1295 CONECT 1352 1294 CONECT 1353 1293 1354 1355 1356 CONECT 1354 1353 CONECT 1355 1353 CONECT 1356 1353 CONECT 1357 1292 CONECT 1358 1292 CONECT 1359 1291 1360 1361 1362 CONECT 1360 1359 CONECT 1361 1359 CONECT 1362 1359 CONECT 1363 1291 CONECT 1364 1290 CONECT 1365 1290 CONECT 1366 1289 1367 CONECT 1367 1366 1368 1369 1370 CONECT 1368 1367 CONECT 1369 1367 CONECT 1370 1367 CONECT 1371 1289 CONECT 1372 1284 1288 CONECT 1373 1288 CONECT 1374 1287 1375 CONECT 1375 1374 1376 1377 1378 CONECT 1376 1375 CONECT 1377 1375 CONECT 1378 1375 CONECT 1379 1287 CONECT 1380 1286 CONECT 1381 1286 CONECT 1382 1285 1383 1384 1385 CONECT 1383 1382 CONECT 1384 1382 CONECT 1385 1382 CONECT 1386 1285 CONECT 1387 1284 1388 CONECT 1388 1387 CONECT 1389 1283 CONECT 1390 1282 CONECT 1391 1280 CONECT 1392 1280 CONECT 1393 1279 CONECT 1394 1279 CONECT 1395 1278 CONECT 1396 1278 CONECT 1397 1277 CONECT 1398 1277 CONECT 1399 1276 CONECT 1400 1275 MASTER 0 0 0 0 0 0 0 0 1399 1 129 10 END
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Structure:
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Related entries of code: 5d75
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1pbk
RCSB PDB
PDBbind
116aa, >1PBK_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1fkf
RCSB PDB
PDBbind
FK5
3ihz
RCSB PDB
PDBbind
FK5
4nnr
RCSB PDB
PDBbind
FK5
Entry Information
PDB ID
5d75
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Human FKBD25
Ligand Name
FK5
EC.Number
E.C.5.2.1.8
Resolution
1.83(Å)
Affinity (Kd/Ki/IC50)
Ki=200nM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Protein Sci. Vol. 25: pp. 905-910
Ligand Properties
Formula
C
4
4
H
6
9
NO
1
2
Molecular Weight
804.018
Exact Mass
803.482
No. of atoms
126
No. of bonds
129
Polar Surface Area
178.36
LOGP Value
4.68 (
Computed with XLOGP3
)
4.58 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 13
No. of Rings: 4
Canonical SMILES
C=CC[C@@H]1/C=C(\C)/C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)([C@@H](C[C@@H]2OC)C)C(=O)C(=O)N2[C@H](C(=O)O[C@@H]([C@@H]([C@H](CC1=O)O)C)/C(=C/[C@@H]1CC[C@H]([C@@H](C1)OC)O)/C)CCCC2
InChI String
InChI=1S/C44H69NO12/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3/b25-19+,27-21+/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+,44+/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):
Q00688
Entrez Gene ID
NCBI Entrez Gene ID:
2287
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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