Browse entries in the PDBbind-CN Database
HEADER 4QT2_COMPLEX COMPND 4QT2_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 122 PHE GLU LYS VAL GLU LEU THR ALA ASP GLY GLY VAL ILE SEQRES 2 A 122 LYS THR ILE LEU LYS LYS GLY ASP GLU GLY GLU GLU ASN SEQRES 3 A 122 ILE PRO LYS LYS GLY ASN GLU VAL THR VAL HIS TYR VAL SEQRES 4 A 122 GLY LYS LEU GLU SER THR GLY LYS VAL PHE ASP SER SER SEQRES 5 A 122 PHE ASP ARG ASN VAL PRO PHE LYS PHE HIS LEU GLU GLN SEQRES 6 A 122 GLY GLU VAL ILE LYS GLY TRP ASP ILE CYS VAL SER SER SEQRES 7 A 122 MET ARG LYS ASN GLU LYS CYS LEU VAL ARG ILE GLU SER SEQRES 8 A 122 MET TYR GLY TYR GLY ASP GLU GLY CYS GLY GLU SER ILE SEQRES 9 A 122 PRO GLY ASN SER VAL LEU LEU PHE GLU ILE GLU LEU LEU SEQRES 10 A 122 SER PHE ARG GLU LEU HET RAP A 222 148 ATOM 1 N PHE A 7 7.479 -7.840 5.273 1.00 38.15 N ATOM 2 CA PHE A 7 7.138 -6.384 5.298 1.00 35.55 C ATOM 3 C PHE A 7 8.332 -5.507 4.933 1.00 38.58 C ATOM 4 O PHE A 7 9.368 -5.534 5.604 1.00 51.59 O ATOM 5 CB PHE A 7 6.604 -5.966 6.670 1.00 38.29 C ATOM 6 CG PHE A 7 5.242 -6.515 6.979 1.00 35.44 C ATOM 7 CD1 PHE A 7 4.099 -5.880 6.507 1.00 33.84 C ATOM 8 CD2 PHE A 7 5.101 -7.669 7.735 1.00 34.71 C ATOM 9 CE1 PHE A 7 2.843 -6.388 6.782 1.00 33.17 C ATOM 10 CE2 PHE A 7 3.850 -8.179 8.015 1.00 32.41 C ATOM 11 CZ PHE A 7 2.720 -7.541 7.538 1.00 32.17 C ATOM 12 HN3 PHE A 7 8.240 -8.028 5.956 1.00 0.00 H ATOM 13 HN2 PHE A 7 7.795 -8.104 4.318 1.00 0.00 H ATOM 14 HN1 PHE A 7 6.638 -8.396 5.527 1.00 0.00 H ATOM 15 N GLU A 8 8.162 -4.734 3.865 1.00 34.13 N ATOM 16 CA GLU A 8 9.135 -3.737 3.428 1.00 33.55 C ATOM 17 C GLU A 8 9.566 -2.923 4.659 1.00 31.85 C ATOM 18 O GLU A 8 8.767 -2.173 5.204 1.00 33.13 O ATOM 19 CB GLU A 8 8.474 -2.845 2.356 1.00 34.12 C ATOM 20 CG GLU A 8 9.398 -1.940 1.554 1.00 32.46 C ATOM 21 CD GLU A 8 8.647 -1.004 0.606 1.00 33.53 C ATOM 22 OE1 GLU A 8 7.611 -1.409 0.020 1.00 32.34 O ATOM 23 OE2 GLU A 8 9.098 0.155 0.440 1.00 39.45 O ATOM 24 H GLU A 8 7.289 -4.845 3.311 1.00 0.00 H ATOM 25 N LYS A 9 10.806 -3.125 5.117 1.00 21.56 N ATOM 26 CA LYS A 9 11.327 -2.439 6.314 1.00 26.30 C ATOM 27 C LYS A 9 12.705 -1.800 6.075 1.00 25.42 C ATOM 28 O LYS A 9 13.655 -2.498 5.702 1.00 28.36 O ATOM 29 CB LYS A 9 11.442 -3.424 7.463 1.00 29.39 C ATOM 30 CG LYS A 9 12.080 -2.841 8.712 1.00 31.06 C ATOM 31 CD LYS A 9 11.655 -3.629 9.939 1.00 32.88 C ATOM 32 CE LYS A 9 12.420 -3.185 11.165 1.00 36.07 C ATOM 33 NZ LYS A 9 11.884 -3.826 12.394 1.00 38.05 N ATOM 34 HZ1 LYS A 9 10.885 -3.564 12.513 1.00 0.00 H ATOM 35 HZ2 LYS A 9 11.965 -4.859 12.308 1.00 0.00 H ATOM 36 HZ3 LYS A 9 12.429 -3.502 13.218 1.00 0.00 H ATOM 37 H LYS A 9 11.425 -3.790 4.611 1.00 0.00 H ATOM 38 N VAL A 10 12.817 -0.494 6.333 1.00 22.14 N ATOM 39 CA VAL A 10 14.015 0.288 5.950 1.00 19.42 C ATOM 40 C VAL A 10 14.469 1.334 6.982 1.00 17.59 C ATOM 41 O VAL A 10 13.662 1.861 7.764 1.00 19.56 O ATOM 42 CB VAL A 10 13.818 1.017 4.596 1.00 23.52 C ATOM 43 CG1 VAL A 10 13.490 0.032 3.479 1.00 23.27 C ATOM 44 CG2 VAL A 10 12.733 2.080 4.693 1.00 24.25 C ATOM 45 H VAL A 10 12.036 -0.010 6.820 1.00 0.00 H ATOM 46 N GLU A 11 15.773 1.617 6.971 1.00 16.12 N ATOM 47 CA GLU A 11 16.369 2.651 7.809 1.00 17.04 C ATOM 48 C GLU A 11 16.408 3.944 7.033 1.00 14.22 C ATOM 49 O GLU A 11 16.995 3.999 5.937 1.00 14.95 O ATOM 50 CB GLU A 11 17.794 2.284 8.221 1.00 21.63 C ATOM 51 CG GLU A 11 17.898 1.062 9.116 1.00 25.71 C ATOM 52 CD GLU A 11 19.213 0.998 9.875 1.00 32.40 C ATOM 53 OE1 GLU A 11 20.100 1.855 9.646 1.00 33.94 O ATOM 54 OE2 GLU A 11 19.358 0.079 10.708 1.00 40.81 O ATOM 55 H GLU A 11 16.393 1.075 6.336 1.00 0.00 H ATOM 56 N LEU A 12 15.785 4.982 7.576 1.00 12.67 N ATOM 57 CA LEU A 12 15.776 6.282 6.909 1.00 11.52 C ATOM 58 C LEU A 12 16.866 7.242 7.387 1.00 12.49 C ATOM 59 O LEU A 12 17.082 8.292 6.774 1.00 13.72 O ATOM 60 CB LEU A 12 14.397 6.923 7.040 1.00 11.43 C ATOM 61 CG LEU A 12 13.249 6.135 6.395 1.00 11.66 C ATOM 62 CD1 LEU A 12 11.906 6.834 6.587 1.00 11.55 C ATOM 63 CD2 LEU A 12 13.489 5.864 4.918 1.00 11.97 C ATOM 64 H LEU A 12 15.297 4.869 8.487 1.00 0.00 H ATOM 65 N THR A 13 17.513 6.907 8.497 1.00 12.96 N ATOM 66 CA THR A 13 18.731 7.576 8.939 1.00 13.09 C ATOM 67 C THR A 13 19.800 6.527 9.194 1.00 13.82 C ATOM 68 O THR A 13 19.488 5.393 9.560 1.00 15.52 O ATOM 69 CB THR A 13 18.533 8.436 10.202 1.00 13.57 C ATOM 70 OG1 THR A 13 18.039 7.636 11.273 1.00 12.65 O ATOM 71 CG2 THR A 13 17.539 9.522 9.944 1.00 13.50 C ATOM 72 HG1 THR A 13 18.688 6.915 11.471 1.00 0.00 H ATOM 73 H THR A 13 17.134 6.132 9.078 1.00 0.00 H ATOM 74 N ALA A 14 21.052 6.903 8.987 1.00 14.60 N ATOM 75 CA ALA A 14 22.153 5.942 8.996 1.00 15.06 C ATOM 76 C ALA A 14 22.458 5.341 10.377 1.00 16.63 C ATOM 77 O ALA A 14 23.119 4.312 10.462 1.00 20.38 O ATOM 78 CB ALA A 14 23.405 6.590 8.433 1.00 17.70 C ATOM 79 H ALA A 14 21.257 7.908 8.814 1.00 0.00 H ATOM 80 N ASP A 15 21.980 5.993 11.438 1.00 15.33 N ATOM 81 CA ASP A 15 22.142 5.513 12.809 1.00 16.57 C ATOM 82 C ASP A 15 21.006 4.608 13.297 1.00 15.60 C ATOM 83 O ASP A 15 21.036 4.137 14.443 1.00 18.78 O ATOM 84 CB ASP A 15 22.290 6.706 13.754 1.00 16.60 C ATOM 85 CG ASP A 15 21.083 7.653 13.726 1.00 18.17 C ATOM 86 OD1 ASP A 15 20.147 7.431 12.944 1.00 16.67 O ATOM 87 OD2 ASP A 15 21.085 8.639 14.495 1.00 20.74 O ATOM 88 H ASP A 15 21.468 6.885 11.282 1.00 0.00 H ATOM 89 N GLY A 16 19.995 4.381 12.457 1.00 15.75 N ATOM 90 CA GLY A 16 18.847 3.579 12.851 1.00 16.58 C ATOM 91 C GLY A 16 17.866 4.338 13.733 1.00 15.63 C ATOM 92 O GLY A 16 16.972 3.742 14.332 1.00 15.69 O ATOM 93 H GLY A 16 20.028 4.786 11.500 1.00 0.00 H ATOM 94 N GLY A 17 18.025 5.657 13.796 1.00 13.77 N ATOM 95 CA GLY A 17 17.176 6.521 14.613 1.00 13.89 C ATOM 96 C GLY A 17 15.772 6.687 14.071 1.00 12.81 C ATOM 97 O GLY A 17 14.846 7.005 14.820 1.00 15.18 O ATOM 98 H GLY A 17 18.788 6.093 13.239 1.00 0.00 H ATOM 99 N VAL A 18 15.621 6.483 12.765 1.00 11.57 N ATOM 100 CA VAL A 18 14.311 6.471 12.133 1.00 11.33 C ATOM 101 C VAL A 18 14.204 5.232 11.255 1.00 12.09 C ATOM 102 O VAL A 18 14.917 5.103 10.247 1.00 11.94 O ATOM 103 CB VAL A 18 14.057 7.739 11.285 1.00 11.62 C ATOM 104 CG1 VAL A 18 12.655 7.713 10.706 1.00 11.44 C ATOM 105 CG2 VAL A 18 14.281 9.003 12.106 1.00 11.92 C ATOM 106 H VAL A 18 16.465 6.327 12.178 1.00 0.00 H ATOM 107 N ILE A 19 13.323 4.321 11.669 1.00 11.38 N ATOM 108 CA ILE A 19 13.115 3.057 10.974 1.00 12.52 C ATOM 109 C ILE A 19 11.645 2.917 10.610 1.00 10.89 C ATOM 110 O ILE A 19 10.772 3.057 11.474 1.00 13.44 O ATOM 111 CB ILE A 19 13.557 1.869 11.843 1.00 14.82 C ATOM 112 CG1 ILE A 19 15.073 1.923 12.062 1.00 16.29 C ATOM 113 CG2 ILE A 19 13.151 0.549 11.202 1.00 15.97 C ATOM 114 CD1 ILE A 19 15.586 1.046 13.183 1.00 17.76 C ATOM 115 H ILE A 19 12.762 4.520 12.522 1.00 0.00 H ATOM 116 N LYS A 20 11.382 2.633 9.332 1.00 11.63 N ATOM 117 CA LYS A 20 10.025 2.543 8.800 1.00 12.24 C ATOM 118 C LYS A 20 9.710 1.131 8.298 1.00 12.94 C ATOM 119 O LYS A 20 10.480 0.560 7.526 1.00 14.17 O ATOM 120 CB LYS A 20 9.821 3.549 7.657 1.00 12.94 C ATOM 121 CG LYS A 20 8.409 3.588 7.091 1.00 12.90 C ATOM 122 CD LYS A 20 8.278 4.536 5.908 1.00 12.12 C ATOM 123 CE LYS A 20 8.981 4.019 4.663 1.00 11.13 C ATOM 124 NZ LYS A 20 8.551 4.719 3.427 1.00 10.12 N ATOM 125 HZ1 LYS A 20 7.528 4.587 3.293 1.00 0.00 H ATOM 126 HZ2 LYS A 20 8.762 5.734 3.513 1.00 0.00 H ATOM 127 HZ3 LYS A 20 9.062 4.326 2.611 1.00 0.00 H ATOM 128 H LYS A 20 12.180 2.468 8.686 1.00 0.00 H ATOM 129 N THR A 21 8.575 0.597 8.749 1.00 12.03 N ATOM 130 CA THR A 21 8.013 -0.660 8.263 1.00 13.20 C ATOM 131 C THR A 21 6.763 -0.340 7.443 1.00 12.73 C ATOM 132 O THR A 21 5.859 0.346 7.925 1.00 14.23 O ATOM 133 CB THR A 21 7.610 -1.561 9.445 1.00 15.19 C ATOM 134 OG1 THR A 21 8.730 -1.728 10.328 1.00 17.47 O ATOM 135 CG2 THR A 21 7.141 -2.921 8.966 1.00 14.78 C ATOM 136 HG1 THR A 21 9.014 -0.843 10.670 1.00 0.00 H ATOM 137 H THR A 21 8.058 1.107 9.493 1.00 0.00 H ATOM 138 N ILE A 22 6.692 -0.818 6.206 1.00 15.37 N ATOM 139 CA ILE A 22 5.507 -0.553 5.398 1.00 17.21 C ATOM 140 C ILE A 22 4.437 -1.588 5.716 1.00 17.50 C ATOM 141 O ILE A 22 4.668 -2.799 5.598 1.00 22.00 O ATOM 142 CB ILE A 22 5.852 -0.422 3.903 1.00 19.94 C ATOM 143 CG1 ILE A 22 6.493 0.951 3.690 1.00 23.53 C ATOM 144 CG2 ILE A 22 4.607 -0.496 3.027 1.00 21.25 C ATOM 145 CD1 ILE A 22 7.423 1.019 2.519 1.00 27.65 C ATOM 146 H ILE A 22 7.477 -1.378 5.816 1.00 0.00 H ATOM 147 N LEU A 23 3.293 -1.104 6.186 1.00 16.67 N ATOM 148 CA LEU A 23 2.143 -1.947 6.525 1.00 16.50 C ATOM 149 C LEU A 23 1.308 -2.209 5.268 1.00 16.57 C ATOM 150 O LEU A 23 0.842 -3.324 5.043 1.00 20.36 O ATOM 151 CB LEU A 23 1.286 -1.268 7.598 1.00 19.21 C ATOM 152 CG LEU A 23 2.057 -0.763 8.828 1.00 19.76 C ATOM 153 CD1 LEU A 23 1.125 -0.140 9.851 1.00 20.87 C ATOM 154 CD2 LEU A 23 2.829 -1.909 9.442 1.00 18.93 C ATOM 155 H LEU A 23 3.209 -0.076 6.320 1.00 0.00 H ATOM 156 N LYS A 24 1.102 -1.159 4.481 1.00 16.71 N ATOM 157 CA LYS A 24 0.389 -1.233 3.210 1.00 15.29 C ATOM 158 C LYS A 24 1.116 -0.367 2.183 1.00 14.34 C ATOM 159 O LYS A 24 1.319 0.830 2.403 1.00 14.78 O ATOM 160 CB LYS A 24 -1.055 -0.758 3.364 1.00 17.23 C ATOM 161 CG LYS A 24 -1.908 -1.006 2.127 1.00 19.49 C ATOM 162 CD LYS A 24 -3.323 -0.488 2.302 1.00 24.85 C ATOM 163 CE LYS A 24 -4.123 -0.638 1.014 1.00 29.39 C ATOM 164 NZ LYS A 24 -5.554 -0.946 1.274 1.00 33.27 N ATOM 165 HZ1 LYS A 24 -5.625 -1.838 1.804 1.00 0.00 H ATOM 166 HZ2 LYS A 24 -5.978 -0.176 1.830 1.00 0.00 H ATOM 167 HZ3 LYS A 24 -6.057 -1.039 0.369 1.00 0.00 H ATOM 168 H LYS A 24 1.468 -0.235 4.787 1.00 0.00 H ATOM 169 N LYS A 25 1.515 -0.980 1.074 1.00 14.31 N ATOM 170 CA LYS A 25 2.223 -0.268 0.014 1.00 13.41 C ATOM 171 C LYS A 25 1.281 0.729 -0.652 1.00 12.89 C ATOM 172 O LYS A 25 0.108 0.438 -0.879 1.00 13.30 O ATOM 173 CB LYS A 25 2.775 -1.250 -1.039 1.00 13.81 C ATOM 174 CG LYS A 25 3.771 -2.271 -0.504 1.00 15.95 C ATOM 175 CD LYS A 25 4.059 -3.339 -1.550 1.00 18.19 C ATOM 176 CE LYS A 25 4.727 -4.557 -0.933 1.00 21.02 C ATOM 177 NZ LYS A 25 4.915 -5.631 -1.946 1.00 23.41 N ATOM 178 HZ1 LYS A 25 3.989 -5.914 -2.326 1.00 0.00 H ATOM 179 HZ2 LYS A 25 5.514 -5.276 -2.719 1.00 0.00 H ATOM 180 HZ3 LYS A 25 5.373 -6.451 -1.499 1.00 0.00 H ATOM 181 H LYS A 25 1.318 -1.994 0.958 1.00 0.00 H ATOM 182 N GLY A 26 1.810 1.912 -0.945 1.00 11.48 N ATOM 183 CA GLY A 26 1.103 2.894 -1.751 1.00 12.39 C ATOM 184 C GLY A 26 1.497 2.780 -3.211 1.00 13.44 C ATOM 185 O GLY A 26 1.811 1.677 -3.722 1.00 12.54 O ATOM 186 H GLY A 26 2.759 2.143 -0.587 1.00 0.00 H ATOM 187 N ASP A 27 1.491 3.933 -3.874 1.00 16.56 N ATOM 188 CA ASP A 27 1.782 4.030 -5.301 1.00 17.13 C ATOM 189 C ASP A 27 3.274 3.873 -5.592 1.00 17.06 C ATOM 190 O ASP A 27 3.967 4.851 -5.875 1.00 18.11 O ATOM 191 CB ASP A 27 1.300 5.379 -5.833 1.00 19.74 C ATOM 192 CG ASP A 27 -0.137 5.661 -5.484 1.00 22.45 C ATOM 193 OD1 ASP A 27 -0.863 4.729 -5.091 1.00 23.16 O ATOM 194 OD2 ASP A 27 -0.543 6.826 -5.605 1.00 22.48 O ATOM 195 H ASP A 27 1.269 4.805 -3.352 1.00 0.00 H ATOM 196 N GLU A 28 3.767 2.643 -5.520 1.00 17.92 N ATOM 197 CA GLU A 28 5.187 2.366 -5.747 1.00 15.48 C ATOM 198 C GLU A 28 5.510 2.266 -7.232 1.00 17.14 C ATOM 199 O GLU A 28 6.656 2.495 -7.640 1.00 18.48 O ATOM 200 CB GLU A 28 5.610 1.096 -5.007 1.00 13.80 C ATOM 201 CG GLU A 28 5.439 1.238 -3.498 1.00 13.70 C ATOM 202 CD GLU A 28 6.051 0.106 -2.695 1.00 15.93 C ATOM 203 OE1 GLU A 28 6.364 -0.951 -3.263 1.00 16.91 O ATOM 204 OE2 GLU A 28 6.194 0.274 -1.463 1.00 15.91 O ATOM 205 H GLU A 28 3.127 1.854 -5.296 1.00 0.00 H ATOM 206 N GLY A 29 4.494 1.945 -8.036 1.00 15.49 N ATOM 207 CA GLY A 29 4.666 1.837 -9.482 1.00 17.84 C ATOM 208 C GLY A 29 5.156 3.133 -10.104 1.00 21.37 C ATOM 209 O GLY A 29 6.037 3.129 -10.961 1.00 24.45 O ATOM 210 H GLY A 29 3.557 1.767 -7.622 1.00 0.00 H ATOM 211 N GLU A 30 4.572 4.241 -9.661 1.00 23.37 N ATOM 212 CA GLU A 30 4.942 5.560 -10.154 1.00 24.39 C ATOM 213 C GLU A 30 5.559 6.457 -9.084 1.00 22.74 C ATOM 214 O GLU A 30 5.784 7.640 -9.327 1.00 28.90 O ATOM 215 CB GLU A 30 3.728 6.217 -10.789 1.00 31.03 C ATOM 216 CG GLU A 30 3.083 5.307 -11.820 1.00 33.17 C ATOM 217 CD GLU A 30 2.265 6.052 -12.846 1.00 39.58 C ATOM 218 OE1 GLU A 30 1.709 7.118 -12.501 1.00 42.61 O ATOM 219 OE2 GLU A 30 2.170 5.557 -13.988 1.00 43.16 O ATOM 220 H GLU A 30 3.827 4.164 -8.939 1.00 0.00 H ATOM 221 N GLU A 31 5.865 5.887 -7.924 1.00 24.97 N ATOM 222 CA GLU A 31 6.601 6.588 -6.878 1.00 24.42 C ATOM 223 C GLU A 31 6.012 7.974 -6.621 1.00 25.37 C ATOM 224 O GLU A 31 6.749 8.969 -6.636 1.00 28.09 O ATOM 225 CB GLU A 31 8.088 6.712 -7.258 1.00 28.08 C ATOM 226 CG GLU A 31 8.810 5.387 -7.478 1.00 31.94 C ATOM 227 CD GLU A 31 8.921 4.541 -6.215 1.00 34.93 C ATOM 228 OE1 GLU A 31 9.140 3.307 -6.349 1.00 31.38 O ATOM 229 OE2 GLU A 31 8.800 5.102 -5.095 1.00 28.38 O ATOM 230 H GLU A 31 5.569 4.904 -7.755 1.00 0.00 H ATOM 231 N ASN A 32 4.697 8.042 -6.385 1.00 21.49 N ATOM 232 CA ASN A 32 4.006 9.318 -6.169 1.00 19.58 C ATOM 233 C ASN A 32 4.266 9.848 -4.756 1.00 16.51 C ATOM 234 O ASN A 32 3.523 9.573 -3.817 1.00 14.88 O ATOM 235 CB ASN A 32 2.507 9.204 -6.444 1.00 23.10 C ATOM 236 CG ASN A 32 1.829 10.565 -6.613 1.00 25.00 C ATOM 237 OD1 ASN A 32 2.487 11.603 -6.731 1.00 32.32 O ATOM 238 ND2 ASN A 32 0.500 10.559 -6.644 1.00 26.39 N ATOM 239 HD22 ASN A 32 -0.019 9.663 -6.541 1.00 0.00 H ATOM 240 HD21 ASN A 32 -0.021 11.450 -6.771 1.00 0.00 H ATOM 241 H ASN A 32 4.146 7.161 -6.354 1.00 0.00 H ATOM 242 N ILE A 33 5.337 10.626 -4.645 1.00 17.35 N ATOM 243 CA ILE A 33 5.920 10.995 -3.367 1.00 16.27 C ATOM 244 C ILE A 33 5.786 12.517 -3.205 1.00 15.56 C ATOM 245 O ILE A 33 6.002 13.259 -4.157 1.00 18.15 O ATOM 246 CB ILE A 33 7.405 10.548 -3.300 1.00 21.37 C ATOM 247 CG1 ILE A 33 7.521 9.019 -3.389 1.00 23.31 C ATOM 248 CG2 ILE A 33 8.060 10.977 -2.000 1.00 21.98 C ATOM 249 CD1 ILE A 33 8.905 8.525 -3.761 1.00 26.62 C ATOM 250 H ILE A 33 5.779 10.988 -5.514 1.00 0.00 H ATOM 251 N PRO A 34 5.411 12.989 -2.001 1.00 12.26 N ATOM 252 CA PRO A 34 5.370 14.450 -1.786 1.00 12.36 C ATOM 253 C PRO A 34 6.758 15.066 -1.768 1.00 13.81 C ATOM 254 O PRO A 34 7.749 14.354 -1.620 1.00 15.62 O ATOM 255 CB PRO A 34 4.731 14.576 -0.408 1.00 13.00 C ATOM 256 CG PRO A 34 5.144 13.322 0.286 1.00 12.71 C ATOM 257 CD PRO A 34 5.126 12.245 -0.763 1.00 12.95 C ATOM 258 N LYS A 35 6.802 16.388 -1.920 1.00 15.54 N ATOM 259 CA LYS A 35 8.057 17.140 -1.966 1.00 16.44 C ATOM 260 C LYS A 35 8.061 18.217 -0.894 1.00 12.36 C ATOM 261 O LYS A 35 6.996 18.626 -0.406 1.00 12.80 O ATOM 262 CB LYS A 35 8.256 17.790 -3.347 1.00 20.54 C ATOM 263 CG LYS A 35 8.087 16.830 -4.512 1.00 23.13 C ATOM 264 CD LYS A 35 9.089 17.098 -5.626 1.00 24.70 C ATOM 265 CE LYS A 35 9.063 18.536 -6.102 1.00 26.49 C ATOM 266 NZ LYS A 35 9.846 18.695 -7.357 1.00 30.68 N ATOM 267 HZ1 LYS A 35 10.833 18.417 -7.186 1.00 0.00 H ATOM 268 HZ2 LYS A 35 9.438 18.090 -8.098 1.00 0.00 H ATOM 269 HZ3 LYS A 35 9.812 19.689 -7.662 1.00 0.00 H ATOM 270 H LYS A 35 5.906 16.909 -2.010 1.00 0.00 H ATOM 271 N LYS A 36 9.260 18.686 -0.549 1.00 12.37 N ATOM 272 CA LYS A 36 9.404 19.760 0.413 1.00 12.83 C ATOM 273 C LYS A 36 8.515 20.965 0.080 1.00 13.21 C ATOM 274 O LYS A 36 8.450 21.434 -1.077 1.00 15.39 O ATOM 275 CB LYS A 36 10.865 20.178 0.497 1.00 12.93 C ATOM 276 CG LYS A 36 11.134 21.403 1.333 1.00 13.78 C ATOM 277 CD LYS A 36 12.619 21.549 1.593 1.00 15.19 C ATOM 278 CE LYS A 36 12.915 22.847 2.307 1.00 18.42 C ATOM 279 NZ LYS A 36 14.326 22.950 2.764 1.00 23.28 N ATOM 280 HZ1 LYS A 36 14.534 22.172 3.422 1.00 0.00 H ATOM 281 HZ2 LYS A 36 14.961 22.889 1.942 1.00 0.00 H ATOM 282 HZ3 LYS A 36 14.467 23.861 3.246 1.00 0.00 H ATOM 283 H LYS A 36 10.111 18.272 -0.980 1.00 0.00 H ATOM 284 N GLY A 37 7.812 21.438 1.103 1.00 12.23 N ATOM 285 CA GLY A 37 6.923 22.577 0.993 1.00 13.76 C ATOM 286 C GLY A 37 5.479 22.190 0.734 1.00 12.74 C ATOM 287 O GLY A 37 4.572 22.971 1.014 1.00 14.77 O ATOM 288 H GLY A 37 7.904 20.969 2.027 1.00 0.00 H ATOM 289 N ASN A 38 5.257 20.992 0.181 1.00 12.39 N ATOM 290 CA ASN A 38 3.905 20.525 -0.067 1.00 12.95 C ATOM 291 C ASN A 38 3.172 20.439 1.249 1.00 11.80 C ATOM 292 O ASN A 38 3.764 20.047 2.261 1.00 12.84 O ATOM 293 CB ASN A 38 3.877 19.106 -0.639 1.00 13.61 C ATOM 294 CG ASN A 38 4.341 18.989 -2.082 1.00 15.19 C ATOM 295 OD1 ASN A 38 4.409 17.875 -2.582 1.00 16.76 O ATOM 296 ND2 ASN A 38 4.649 20.092 -2.753 1.00 16.08 N ATOM 297 HD22 ASN A 38 4.577 21.020 -2.289 1.00 0.00 H ATOM 298 HD21 ASN A 38 4.962 20.028 -3.743 1.00 0.00 H ATOM 299 H ASN A 38 6.064 20.387 -0.075 1.00 0.00 H ATOM 300 N GLU A 39 1.896 20.798 1.246 1.00 13.55 N ATOM 301 CA GLU A 39 1.047 20.451 2.363 1.00 13.34 C ATOM 302 C GLU A 39 0.609 19.015 2.183 1.00 11.86 C ATOM 303 O GLU A 39 0.068 18.649 1.159 1.00 16.34 O ATOM 304 CB GLU A 39 -0.163 21.359 2.479 1.00 14.09 C ATOM 305 CG GLU A 39 -0.880 21.174 3.803 1.00 17.08 C ATOM 306 CD GLU A 39 -2.327 21.552 3.724 1.00 19.33 C ATOM 307 OE1 GLU A 39 -3.052 20.903 2.929 1.00 24.52 O ATOM 308 OE2 GLU A 39 -2.733 22.480 4.451 1.00 23.74 O ATOM 309 H GLU A 39 1.506 21.329 0.441 1.00 0.00 H ATOM 310 N VAL A 40 0.826 18.213 3.214 1.00 9.45 N ATOM 311 CA VAL A 40 0.491 16.811 3.209 1.00 9.73 C ATOM 312 C VAL A 40 -0.693 16.578 4.158 1.00 9.46 C ATOM 313 O VAL A 40 -0.795 17.250 5.184 1.00 10.29 O ATOM 314 CB VAL A 40 1.720 16.012 3.668 1.00 11.80 C ATOM 315 CG1 VAL A 40 1.404 14.548 3.760 1.00 13.21 C ATOM 316 CG2 VAL A 40 2.883 16.215 2.715 1.00 12.19 C ATOM 317 H VAL A 40 1.260 18.614 4.070 1.00 0.00 H ATOM 318 N THR A 41 -1.557 15.623 3.823 1.00 9.45 N ATOM 319 CA THR A 41 -2.678 15.239 4.664 1.00 9.19 C ATOM 320 C THR A 41 -2.471 13.787 5.053 1.00 9.32 C ATOM 321 O THR A 41 -2.326 12.906 4.187 1.00 9.84 O ATOM 322 CB THR A 41 -4.021 15.388 3.918 1.00 10.06 C ATOM 323 OG1 THR A 41 -4.165 16.742 3.515 1.00 10.86 O ATOM 324 CG2 THR A 41 -5.192 15.053 4.791 1.00 11.55 C ATOM 325 HG1 THR A 41 -3.416 16.988 2.916 1.00 0.00 H ATOM 326 H THR A 41 -1.424 15.129 2.918 1.00 0.00 H ATOM 327 N VAL A 42 -2.466 13.517 6.351 1.00 10.32 N ATOM 328 CA VAL A 42 -2.260 12.159 6.842 1.00 9.36 C ATOM 329 C VAL A 42 -3.224 11.808 7.944 1.00 9.31 C ATOM 330 O VAL A 42 -3.853 12.672 8.499 1.00 9.43 O ATOM 331 CB VAL A 42 -0.836 11.944 7.411 1.00 9.45 C ATOM 332 CG1 VAL A 42 0.213 12.345 6.386 1.00 9.67 C ATOM 333 CG2 VAL A 42 -0.634 12.715 8.704 1.00 9.71 C ATOM 334 H VAL A 42 -2.612 14.289 7.033 1.00 0.00 H ATOM 335 N HIS A 43 -3.325 10.517 8.240 1.00 8.82 N ATOM 336 CA HIS A 43 -3.836 10.083 9.538 1.00 9.00 C ATOM 337 C HIS A 43 -2.665 9.480 10.290 1.00 9.38 C ATOM 338 O HIS A 43 -1.739 8.938 9.677 1.00 10.17 O ATOM 339 CB HIS A 43 -4.923 9.020 9.409 1.00 9.70 C ATOM 340 CG HIS A 43 -6.311 9.569 9.393 1.00 10.80 C ATOM 341 ND1 HIS A 43 -6.804 10.363 10.406 1.00 11.42 N ATOM 342 CD2 HIS A 43 -7.333 9.397 8.521 1.00 11.80 C ATOM 343 CE1 HIS A 43 -8.057 10.681 10.145 1.00 13.49 C ATOM 344 NE2 HIS A 43 -8.405 10.099 9.011 1.00 11.88 N ATOM 345 H HIS A 43 -3.036 9.806 7.538 1.00 0.00 H ATOM 346 N TYR A 44 -2.736 9.526 11.616 1.00 9.30 N ATOM 347 CA TYR A 44 -1.674 8.960 12.440 1.00 9.06 C ATOM 348 C TYR A 44 -2.190 8.498 13.795 1.00 8.53 C ATOM 349 O TYR A 44 -3.246 8.926 14.257 1.00 10.36 O ATOM 350 CB TYR A 44 -0.539 9.982 12.649 1.00 8.54 C ATOM 351 CG TYR A 44 -0.913 11.138 13.551 1.00 9.10 C ATOM 352 CD1 TYR A 44 -1.499 12.286 13.041 1.00 9.54 C ATOM 353 CD2 TYR A 44 -0.642 11.086 14.907 1.00 10.16 C ATOM 354 CE1 TYR A 44 -1.840 13.331 13.860 1.00 10.08 C ATOM 355 CE2 TYR A 44 -0.978 12.130 15.739 1.00 10.72 C ATOM 356 CZ TYR A 44 -1.573 13.257 15.202 1.00 10.96 C ATOM 357 OH TYR A 44 -1.903 14.316 15.996 1.00 12.87 O ATOM 358 HH TYR A 44 -2.546 14.020 16.688 1.00 0.00 H ATOM 359 H TYR A 44 -3.558 9.971 12.072 1.00 0.00 H ATOM 360 N VAL A 45 -1.429 7.590 14.396 1.00 8.67 N ATOM 361 CA VAL A 45 -1.548 7.247 15.810 1.00 9.85 C ATOM 362 C VAL A 45 -0.135 7.239 16.331 1.00 10.91 C ATOM 363 O VAL A 45 0.775 6.707 15.664 1.00 11.95 O ATOM 364 CB VAL A 45 -2.099 5.825 16.051 1.00 12.93 C ATOM 365 CG1 VAL A 45 -2.225 5.562 17.539 1.00 11.58 C ATOM 366 CG2 VAL A 45 -3.408 5.597 15.350 1.00 15.74 C ATOM 367 H VAL A 45 -0.710 7.097 13.829 1.00 0.00 H ATOM 368 N GLY A 46 0.052 7.813 17.520 1.00 11.29 N ATOM 369 CA GLY A 46 1.354 7.792 18.182 1.00 11.12 C ATOM 370 C GLY A 46 1.316 7.152 19.545 1.00 11.53 C ATOM 371 O GLY A 46 0.393 7.394 20.324 1.00 12.23 O ATOM 372 H GLY A 46 -0.748 8.287 17.987 1.00 0.00 H ATOM 373 N LYS A 47 2.327 6.341 19.823 1.00 11.46 N ATOM 374 CA LYS A 47 2.464 5.706 21.138 1.00 10.46 C ATOM 375 C LYS A 47 3.917 5.682 21.594 1.00 11.41 C ATOM 376 O LYS A 47 4.855 5.753 20.784 1.00 11.08 O ATOM 377 CB LYS A 47 1.876 4.293 21.149 1.00 14.83 C ATOM 378 CG LYS A 47 2.743 3.233 20.521 1.00 16.99 C ATOM 379 CD LYS A 47 2.148 1.859 20.746 1.00 19.35 C ATOM 380 CE LYS A 47 3.126 0.774 20.365 1.00 20.56 C ATOM 381 NZ LYS A 47 2.597 -0.570 20.726 1.00 24.76 N ATOM 382 HZ1 LYS A 47 2.433 -0.613 21.752 1.00 0.00 H ATOM 383 HZ2 LYS A 47 1.702 -0.735 20.224 1.00 0.00 H ATOM 384 HZ3 LYS A 47 3.288 -1.298 20.454 1.00 0.00 H ATOM 385 H LYS A 47 3.041 6.150 19.091 1.00 0.00 H ATOM 386 N LEU A 48 4.081 5.599 22.909 1.00 12.75 N ATOM 387 CA LEU A 48 5.397 5.485 23.533 1.00 12.05 C ATOM 388 C LEU A 48 5.875 4.049 23.484 1.00 12.39 C ATOM 389 O LEU A 48 5.159 3.156 23.912 1.00 12.73 O ATOM 390 CB LEU A 48 5.352 5.940 24.997 1.00 12.94 C ATOM 391 CG LEU A 48 4.976 7.396 25.252 1.00 14.53 C ATOM 392 CD1 LEU A 48 4.926 7.682 26.746 1.00 15.74 C ATOM 393 CD2 LEU A 48 5.965 8.304 24.542 1.00 16.07 C ATOM 394 H LEU A 48 3.239 5.616 23.519 1.00 0.00 H ATOM 395 N GLU A 49 7.087 3.817 22.978 1.00 12.58 N ATOM 396 CA GLU A 49 7.635 2.467 22.965 1.00 12.44 C ATOM 397 C GLU A 49 7.785 1.913 24.390 1.00 12.87 C ATOM 398 O GLU A 49 7.511 0.741 24.619 1.00 14.88 O ATOM 399 CB GLU A 49 8.977 2.432 22.238 1.00 13.06 C ATOM 400 CG GLU A 49 9.637 1.077 22.192 1.00 13.72 C ATOM 401 CD GLU A 49 10.861 1.057 21.304 1.00 14.51 C ATOM 402 OE1 GLU A 49 11.958 1.426 21.781 1.00 14.75 O ATOM 403 OE2 GLU A 49 10.724 0.676 20.117 1.00 14.96 O ATOM 404 H GLU A 49 7.644 4.605 22.590 1.00 0.00 H ATOM 405 N SER A 50 8.226 2.760 25.321 1.00 14.66 N ATOM 406 CA SER A 50 8.540 2.355 26.693 1.00 16.92 C ATOM 407 C SER A 50 7.329 1.727 27.388 1.00 17.64 C ATOM 408 O SER A 50 7.367 0.560 27.772 1.00 18.37 O ATOM 409 CB SER A 50 9.085 3.565 27.493 1.00 19.86 C ATOM 410 OG SER A 50 8.159 4.655 27.562 1.00 25.42 O ATOM 411 HG SER A 50 8.561 5.395 28.083 1.00 0.00 H ATOM 412 H SER A 50 8.353 3.759 25.060 1.00 0.00 H ATOM 413 N THR A 51 6.265 2.509 27.538 1.00 15.60 N ATOM 414 CA THR A 51 5.093 2.083 28.294 1.00 15.16 C ATOM 415 C THR A 51 3.978 1.561 27.399 1.00 14.90 C ATOM 416 O THR A 51 3.020 0.960 27.891 1.00 15.52 O ATOM 417 CB THR A 51 4.503 3.231 29.115 1.00 18.45 C ATOM 418 OG1 THR A 51 4.139 4.306 28.244 1.00 19.38 O ATOM 419 CG2 THR A 51 5.492 3.727 30.153 1.00 19.16 C ATOM 420 HG1 THR A 51 3.758 5.047 28.778 1.00 0.00 H ATOM 421 H THR A 51 6.268 3.454 27.103 1.00 0.00 H ATOM 422 N GLY A 52 4.086 1.797 26.094 1.00 15.08 N ATOM 423 CA GLY A 52 3.035 1.400 25.166 1.00 14.31 C ATOM 424 C GLY A 52 1.845 2.343 25.127 1.00 12.95 C ATOM 425 O GLY A 52 0.894 2.113 24.366 1.00 14.85 O ATOM 426 H GLY A 52 4.936 2.273 25.730 1.00 0.00 H ATOM 427 N LYS A 53 1.912 3.435 25.889 1.00 13.61 N ATOM 428 CA LYS A 53 0.817 4.392 25.969 1.00 14.49 C ATOM 429 C LYS A 53 0.573 5.114 24.643 1.00 13.85 C ATOM 430 O LYS A 53 1.469 5.779 24.112 1.00 13.63 O ATOM 431 CB LYS A 53 1.104 5.438 27.047 1.00 14.48 C ATOM 432 CG LYS A 53 -0.035 6.444 27.277 1.00 16.82 C ATOM 433 CD LYS A 53 0.349 7.564 28.246 1.00 19.04 C ATOM 434 CE LYS A 53 1.237 8.616 27.590 1.00 24.38 C ATOM 435 NZ LYS A 53 2.052 9.361 28.587 1.00 28.43 N ATOM 436 HZ1 LYS A 53 1.421 9.842 29.259 1.00 0.00 H ATOM 437 HZ2 LYS A 53 2.663 8.695 29.101 1.00 0.00 H ATOM 438 HZ3 LYS A 53 2.640 10.065 28.096 1.00 0.00 H ATOM 439 H LYS A 53 2.774 3.609 26.444 1.00 0.00 H ATOM 440 N VAL A 54 -0.651 4.993 24.133 1.00 13.78 N ATOM 441 CA VAL A 54 -1.086 5.806 22.988 1.00 13.90 C ATOM 442 C VAL A 54 -1.375 7.210 23.482 1.00 14.38 C ATOM 443 O VAL A 54 -2.270 7.410 24.320 1.00 16.74 O ATOM 444 CB VAL A 54 -2.343 5.239 22.328 1.00 14.09 C ATOM 445 CG1 VAL A 54 -2.830 6.155 21.210 1.00 14.12 C ATOM 446 CG2 VAL A 54 -2.043 3.860 21.805 1.00 13.95 C ATOM 447 H VAL A 54 -1.313 4.309 24.553 1.00 0.00 H ATOM 448 N PHE A 55 -0.628 8.177 22.954 1.00 11.98 N ATOM 449 CA PHE A 55 -0.786 9.575 23.342 1.00 13.31 C ATOM 450 C PHE A 55 -1.660 10.405 22.406 1.00 13.69 C ATOM 451 O PHE A 55 -2.086 11.502 22.779 1.00 14.15 O ATOM 452 CB PHE A 55 0.569 10.259 23.584 1.00 13.64 C ATOM 453 CG PHE A 55 1.564 10.134 22.453 1.00 13.93 C ATOM 454 CD1 PHE A 55 1.528 11.000 21.377 1.00 13.24 C ATOM 455 CD2 PHE A 55 2.562 9.159 22.486 1.00 13.08 C ATOM 456 CE1 PHE A 55 2.456 10.892 20.361 1.00 13.32 C ATOM 457 CE2 PHE A 55 3.494 9.058 21.469 1.00 13.52 C ATOM 458 CZ PHE A 55 3.441 9.934 20.408 1.00 13.31 C ATOM 459 H PHE A 55 0.090 7.929 22.244 1.00 0.00 H ATOM 460 N ASP A 56 -1.890 9.924 21.187 1.00 12.64 N ATOM 461 CA ASP A 56 -2.718 10.654 20.238 1.00 13.31 C ATOM 462 C ASP A 56 -3.107 9.751 19.077 1.00 12.89 C ATOM 463 O ASP A 56 -2.354 8.851 18.715 1.00 12.89 O ATOM 464 CB ASP A 56 -1.971 11.905 19.743 1.00 14.83 C ATOM 465 CG ASP A 56 -2.878 12.928 19.082 1.00 14.38 C ATOM 466 OD1 ASP A 56 -4.110 12.740 19.026 1.00 19.59 O ATOM 467 OD2 ASP A 56 -2.340 13.969 18.646 1.00 14.57 O ATOM 468 H ASP A 56 -1.472 9.013 20.908 1.00 0.00 H ATOM 469 N SER A 57 -4.280 10.014 18.503 1.00 14.80 N ATOM 470 CA SER A 57 -4.749 9.302 17.327 1.00 14.21 C ATOM 471 C SER A 57 -5.706 10.176 16.530 1.00 14.85 C ATOM 472 O SER A 57 -6.829 10.428 16.981 1.00 16.21 O ATOM 473 CB SER A 57 -5.497 8.037 17.739 1.00 14.57 C ATOM 474 OG SER A 57 -6.095 7.415 16.610 1.00 17.14 O ATOM 475 HG SER A 57 -6.735 8.042 16.189 1.00 0.00 H ATOM 476 H SER A 57 -4.882 10.757 18.912 1.00 0.00 H ATOM 477 N SER A 58 -5.281 10.617 15.349 1.00 13.02 N ATOM 478 CA SER A 58 -6.174 11.328 14.435 1.00 13.38 C ATOM 479 C SER A 58 -7.245 10.381 13.878 1.00 12.76 C ATOM 480 O SER A 58 -8.350 10.820 13.546 1.00 14.92 O ATOM 481 CB SER A 58 -5.389 11.972 13.291 1.00 11.94 C ATOM 482 OG SER A 58 -5.015 11.000 12.337 1.00 11.35 O ATOM 483 HG SER A 58 -5.828 10.572 11.968 1.00 0.00 H ATOM 484 H SER A 58 -4.293 10.453 15.070 1.00 0.00 H ATOM 485 N PHE A 59 -6.935 9.084 13.801 1.00 13.14 N ATOM 486 CA PHE A 59 -7.929 8.082 13.377 1.00 15.44 C ATOM 487 C PHE A 59 -9.150 8.078 14.316 1.00 18.27 C ATOM 488 O PHE A 59 -10.301 8.049 13.853 1.00 19.02 O ATOM 489 CB PHE A 59 -7.354 6.655 13.359 1.00 16.30 C ATOM 490 CG PHE A 59 -6.304 6.380 12.304 1.00 16.53 C ATOM 491 CD1 PHE A 59 -6.652 5.929 11.042 1.00 19.10 C ATOM 492 CD2 PHE A 59 -4.967 6.468 12.619 1.00 15.73 C ATOM 493 CE1 PHE A 59 -5.673 5.621 10.094 1.00 16.39 C ATOM 494 CE2 PHE A 59 -3.980 6.170 11.691 1.00 14.76 C ATOM 495 CZ PHE A 59 -4.331 5.736 10.429 1.00 15.12 C ATOM 496 H PHE A 59 -5.972 8.775 14.045 1.00 0.00 H ATOM 497 N ASP A 60 -8.897 8.099 15.626 1.00 20.85 N ATOM 498 CA ASP A 60 -9.960 8.108 16.655 1.00 20.85 C ATOM 499 C ASP A 60 -10.741 9.442 16.718 1.00 22.37 C ATOM 500 O ASP A 60 -11.939 9.454 17.010 1.00 23.91 O ATOM 501 CB ASP A 60 -9.370 7.813 18.041 1.00 20.23 C ATOM 502 CG ASP A 60 -8.869 6.393 18.190 1.00 24.67 C ATOM 503 OD1 ASP A 60 -9.176 5.533 17.340 1.00 30.61 O ATOM 504 OD2 ASP A 60 -8.164 6.137 19.189 1.00 28.25 O ATOM 505 H ASP A 60 -7.905 8.110 15.939 1.00 0.00 H ATOM 506 N ARG A 61 -10.021 10.545 16.489 1.00 22.05 N ATOM 507 CA ARG A 61 -10.590 11.887 16.279 1.00 23.13 C ATOM 508 C ARG A 61 -11.431 11.941 14.997 1.00 20.90 C ATOM 509 O ARG A 61 -12.344 12.757 14.870 1.00 22.07 O ATOM 510 CB ARG A 61 -9.452 12.919 16.117 1.00 27.47 C ATOM 511 CG ARG A 61 -9.110 13.793 17.321 1.00 31.50 C ATOM 512 CD ARG A 61 -7.851 13.345 18.063 1.00 33.74 C ATOM 513 NE ARG A 61 -6.567 13.698 17.431 1.00 32.13 N ATOM 514 CZ ARG A 61 -6.420 14.472 16.357 1.00 31.00 C ATOM 515 NH1 ARG A 61 -5.203 14.721 15.879 1.00 34.35 N ATOM 516 NH2 ARG A 61 -7.477 14.994 15.755 1.00 30.35 N ATOM 517 HE ARG A 61 -5.703 13.310 17.860 1.00 0.00 H ATOM 518 HH12 ARG A 61 -5.087 15.325 15.040 1.00 0.00 H ATOM 519 HH11 ARG A 61 -4.368 14.311 16.344 1.00 0.00 H ATOM 520 HH22 ARG A 61 -7.353 15.597 14.917 1.00 0.00 H ATOM 521 HH21 ARG A 61 -8.431 14.801 16.120 1.00 0.00 H ATOM 522 H ARG A 61 -8.986 10.448 16.457 1.00 0.00 H ATOM 523 N ASN A 62 -11.094 11.065 14.053 1.00 19.70 N ATOM 524 CA ASN A 62 -11.542 11.131 12.659 1.00 18.77 C ATOM 525 C ASN A 62 -11.316 12.491 11.991 1.00 16.85 C ATOM 526 O ASN A 62 -12.144 12.941 11.202 1.00 22.41 O ATOM 527 CB ASN A 62 -12.996 10.712 12.479 1.00 19.21 C ATOM 528 CG ASN A 62 -13.295 10.307 11.048 1.00 19.81 C ATOM 529 OD1 ASN A 62 -12.506 9.580 10.427 1.00 24.07 O ATOM 530 ND2 ASN A 62 -14.395 10.804 10.497 1.00 21.20 N ATOM 531 HD22 ASN A 62 -15.029 11.410 11.056 1.00 0.00 H ATOM 532 HD21 ASN A 62 -14.624 10.588 9.506 1.00 0.00 H ATOM 533 H ASN A 62 -10.469 10.279 14.324 1.00 0.00 H ATOM 534 N VAL A 63 -10.186 13.121 12.299 1.00 17.23 N ATOM 535 CA VAL A 63 -9.825 14.396 11.699 1.00 15.25 C ATOM 536 C VAL A 63 -8.410 14.286 11.118 1.00 13.42 C ATOM 537 O VAL A 63 -7.420 14.256 11.852 1.00 14.78 O ATOM 538 CB VAL A 63 -9.922 15.560 12.699 1.00 17.47 C ATOM 539 CG1 VAL A 63 -9.575 16.870 12.004 1.00 18.53 C ATOM 540 CG2 VAL A 63 -11.319 15.648 13.296 1.00 20.92 C ATOM 541 H VAL A 63 -9.540 12.689 12.990 1.00 0.00 H ATOM 542 N PRO A 64 -8.309 14.211 9.790 1.00 12.02 N ATOM 543 CA PRO A 64 -6.992 14.131 9.162 1.00 11.94 C ATOM 544 C PRO A 64 -6.096 15.322 9.527 1.00 11.46 C ATOM 545 O PRO A 64 -6.584 16.435 9.745 1.00 13.89 O ATOM 546 CB PRO A 64 -7.316 14.128 7.662 1.00 13.46 C ATOM 547 CG PRO A 64 -8.706 13.605 7.579 1.00 15.37 C ATOM 548 CD PRO A 64 -9.409 14.034 8.829 1.00 14.16 C ATOM 549 N PHE A 65 -4.794 15.073 9.556 1.00 10.52 N ATOM 550 CA PHE A 65 -3.797 16.028 10.019 1.00 9.74 C ATOM 551 C PHE A 65 -3.025 16.584 8.829 1.00 9.69 C ATOM 552 O PHE A 65 -2.610 15.830 7.956 1.00 10.97 O ATOM 553 CB PHE A 65 -2.870 15.304 11.018 1.00 10.39 C ATOM 554 CG PHE A 65 -1.699 16.111 11.476 1.00 11.77 C ATOM 555 CD1 PHE A 65 -1.832 17.039 12.484 1.00 12.82 C ATOM 556 CD2 PHE A 65 -0.452 15.934 10.902 1.00 10.50 C ATOM 557 CE1 PHE A 65 -0.744 17.786 12.906 1.00 13.26 C ATOM 558 CE2 PHE A 65 0.634 16.667 11.323 1.00 11.11 C ATOM 559 CZ PHE A 65 0.483 17.606 12.311 1.00 12.68 C ATOM 560 H PHE A 65 -4.466 14.142 9.229 1.00 0.00 H ATOM 561 N LYS A 66 -2.849 17.904 8.791 1.00 11.52 N ATOM 562 CA LYS A 66 -2.151 18.577 7.686 1.00 12.17 C ATOM 563 C LYS A 66 -0.907 19.279 8.207 1.00 10.91 C ATOM 564 O LYS A 66 -0.929 19.879 9.285 1.00 14.47 O ATOM 565 CB LYS A 66 -3.060 19.604 6.987 1.00 13.66 C ATOM 566 CG LYS A 66 -4.285 19.002 6.310 1.00 17.30 C ATOM 567 CD LYS A 66 -5.290 20.032 5.805 1.00 22.81 C ATOM 568 CE LYS A 66 -5.491 19.980 4.296 1.00 28.63 C ATOM 569 NZ LYS A 66 -6.196 18.773 3.794 1.00 32.23 N ATOM 570 HZ1 LYS A 66 -5.653 17.924 4.051 1.00 0.00 H ATOM 571 HZ2 LYS A 66 -7.143 18.723 4.222 1.00 0.00 H ATOM 572 HZ3 LYS A 66 -6.284 18.830 2.759 1.00 0.00 H ATOM 573 H LYS A 66 -3.220 18.481 9.573 1.00 0.00 H ATOM 574 N PHE A 67 0.171 19.215 7.434 1.00 10.22 N ATOM 575 CA PHE A 67 1.375 19.999 7.723 1.00 9.62 C ATOM 576 C PHE A 67 2.171 20.164 6.446 1.00 9.01 C ATOM 577 O PHE A 67 1.941 19.439 5.477 1.00 9.31 O ATOM 578 CB PHE A 67 2.238 19.359 8.816 1.00 10.12 C ATOM 579 CG PHE A 67 2.999 18.124 8.367 1.00 10.23 C ATOM 580 CD1 PHE A 67 2.378 16.878 8.289 1.00 10.92 C ATOM 581 CD2 PHE A 67 4.356 18.199 8.080 1.00 9.96 C ATOM 582 CE1 PHE A 67 3.094 15.754 7.912 1.00 12.21 C ATOM 583 CE2 PHE A 67 5.065 17.076 7.686 1.00 9.99 C ATOM 584 CZ PHE A 67 4.431 15.848 7.611 1.00 11.75 C ATOM 585 H PHE A 67 0.161 18.592 6.601 1.00 0.00 H ATOM 586 N HIS A 68 3.079 21.138 6.432 1.00 8.47 N ATOM 587 CA HIS A 68 3.978 21.323 5.296 1.00 8.79 C ATOM 588 C HIS A 68 5.244 20.511 5.463 1.00 9.54 C ATOM 589 O HIS A 68 5.956 20.648 6.451 1.00 9.87 O ATOM 590 CB HIS A 68 4.340 22.787 5.130 1.00 9.28 C ATOM 591 CG HIS A 68 3.160 23.660 4.891 1.00 11.61 C ATOM 592 ND1 HIS A 68 2.650 24.512 5.849 1.00 11.50 N ATOM 593 CD2 HIS A 68 2.367 23.787 3.808 1.00 11.43 C ATOM 594 CE1 HIS A 68 1.590 25.124 5.361 1.00 11.63 C ATOM 595 NE2 HIS A 68 1.404 24.711 4.117 1.00 11.50 N ATOM 596 H HIS A 68 3.149 21.780 7.247 1.00 0.00 H ATOM 597 N LEU A 69 5.545 19.697 4.462 1.00 9.31 N ATOM 598 CA LEU A 69 6.655 18.755 4.525 1.00 8.49 C ATOM 599 C LEU A 69 8.006 19.450 4.497 1.00 9.00 C ATOM 600 O LEU A 69 8.241 20.342 3.670 1.00 9.23 O ATOM 601 CB LEU A 69 6.569 17.800 3.343 1.00 9.29 C ATOM 602 CG LEU A 69 7.592 16.693 3.252 1.00 8.53 C ATOM 603 CD1 LEU A 69 7.512 15.766 4.443 1.00 8.84 C ATOM 604 CD2 LEU A 69 7.363 15.868 2.010 1.00 10.87 C ATOM 605 H LEU A 69 4.967 19.732 3.598 1.00 0.00 H ATOM 606 N GLU A 70 8.898 19.011 5.384 1.00 11.19 N ATOM 607 CA GLU A 70 10.279 19.447 5.403 1.00 10.57 C ATOM 608 C GLU A 70 10.441 20.967 5.619 1.00 11.82 C ATOM 609 O GLU A 70 11.336 21.618 5.050 1.00 14.47 O ATOM 610 CB GLU A 70 11.003 18.941 4.145 1.00 11.83 C ATOM 611 CG GLU A 70 11.438 17.490 4.275 1.00 13.74 C ATOM 612 CD GLU A 70 12.610 17.284 5.233 1.00 14.97 C ATOM 613 OE1 GLU A 70 13.124 18.267 5.823 1.00 21.45 O ATOM 614 OE2 GLU A 70 13.049 16.119 5.366 1.00 22.33 O ATOM 615 H GLU A 70 8.587 18.321 6.098 1.00 0.00 H ATOM 616 N GLN A 71 9.585 21.509 6.486 1.00 13.00 N ATOM 617 CA GLN A 71 9.680 22.913 6.893 1.00 13.56 C ATOM 618 C GLN A 71 9.919 23.036 8.414 1.00 13.56 C ATOM 619 O GLN A 71 9.885 24.127 8.946 1.00 19.69 O ATOM 620 CB GLN A 71 8.422 23.691 6.485 1.00 16.17 C ATOM 621 CG GLN A 71 8.100 23.666 4.997 1.00 18.60 C ATOM 622 CD GLN A 71 8.879 24.682 4.180 1.00 25.98 C ATOM 623 OE1 GLN A 71 10.090 24.835 4.342 1.00 32.74 O ATOM 624 NE2 GLN A 71 8.183 25.378 3.277 1.00 33.43 N ATOM 625 HE22 GLN A 71 7.161 25.218 3.172 1.00 0.00 H ATOM 626 HE21 GLN A 71 8.663 26.080 2.679 1.00 0.00 H ATOM 627 H GLN A 71 8.828 20.918 6.885 1.00 0.00 H ATOM 628 N GLY A 72 10.182 21.926 9.093 1.00 15.32 N ATOM 629 CA GLY A 72 10.373 21.941 10.542 1.00 15.93 C ATOM 630 C GLY A 72 9.113 22.252 11.336 1.00 14.76 C ATOM 631 O GLY A 72 9.196 22.681 12.491 1.00 17.71 O ATOM 632 H GLY A 72 10.254 21.023 8.581 1.00 0.00 H ATOM 633 N GLU A 73 7.943 22.044 10.731 1.00 11.04 N ATOM 634 CA GLU A 73 6.674 22.173 11.448 1.00 9.86 C ATOM 635 C GLU A 73 6.469 21.026 12.420 1.00 9.39 C ATOM 636 O GLU A 73 5.806 21.188 13.449 1.00 11.16 O ATOM 637 CB GLU A 73 5.498 22.226 10.482 1.00 10.43 C ATOM 638 CG GLU A 73 5.403 23.551 9.744 1.00 9.63 C ATOM 639 CD GLU A 73 4.224 23.648 8.794 1.00 11.11 C ATOM 640 OE1 GLU A 73 4.116 24.670 8.083 1.00 12.23 O ATOM 641 OE2 GLU A 73 3.388 22.735 8.750 1.00 11.30 O ATOM 642 H GLU A 73 7.932 21.784 9.724 1.00 0.00 H ATOM 643 N VAL A 74 7.048 19.875 12.096 1.00 10.06 N ATOM 644 CA VAL A 74 6.900 18.671 12.883 1.00 9.72 C ATOM 645 C VAL A 74 8.258 18.161 13.303 1.00 9.52 C ATOM 646 O VAL A 74 9.277 18.598 12.791 1.00 10.11 O ATOM 647 CB VAL A 74 6.186 17.567 12.077 1.00 8.60 C ATOM 648 CG1 VAL A 74 4.775 18.007 11.715 1.00 9.25 C ATOM 649 CG2 VAL A 74 6.998 17.194 10.832 1.00 10.05 C ATOM 650 H VAL A 74 7.634 19.838 11.238 1.00 0.00 H ATOM 651 N ILE A 75 8.263 17.170 14.195 1.00 9.01 N ATOM 652 CA ILE A 75 9.514 16.552 14.641 1.00 9.81 C ATOM 653 C ILE A 75 10.293 15.964 13.455 1.00 9.15 C ATOM 654 O ILE A 75 9.704 15.561 12.453 1.00 9.34 O ATOM 655 CB ILE A 75 9.283 15.483 15.748 1.00 9.41 C ATOM 656 CG1 ILE A 75 8.303 14.398 15.283 1.00 8.94 C ATOM 657 CG2 ILE A 75 8.800 16.139 17.040 1.00 10.65 C ATOM 658 CD1 ILE A 75 8.170 13.238 16.246 1.00 9.95 C ATOM 659 H ILE A 75 7.360 16.829 14.582 1.00 0.00 H ATOM 660 N LYS A 76 11.613 15.935 13.556 1.00 9.95 N ATOM 661 CA LYS A 76 12.449 15.627 12.394 1.00 10.74 C ATOM 662 C LYS A 76 12.146 14.247 11.837 1.00 9.19 C ATOM 663 O LYS A 76 12.124 14.056 10.634 1.00 11.14 O ATOM 664 CB LYS A 76 13.946 15.765 12.722 1.00 13.36 C ATOM 665 CG LYS A 76 14.821 15.857 11.474 1.00 17.55 C ATOM 666 CD LYS A 76 16.232 16.352 11.758 1.00 22.01 C ATOM 667 CE LYS A 76 17.019 16.472 10.455 1.00 26.34 C ATOM 668 NZ LYS A 76 17.893 17.677 10.423 1.00 29.26 N ATOM 669 HZ1 LYS A 76 17.308 18.531 10.523 1.00 0.00 H ATOM 670 HZ2 LYS A 76 18.576 17.629 11.206 1.00 0.00 H ATOM 671 HZ3 LYS A 76 18.404 17.709 9.518 1.00 0.00 H ATOM 672 H LYS A 76 12.062 16.134 14.473 1.00 0.00 H ATOM 673 N GLY A 77 11.894 13.281 12.710 1.00 8.64 N ATOM 674 CA GLY A 77 11.621 11.919 12.264 1.00 9.63 C ATOM 675 C GLY A 77 10.388 11.825 11.390 1.00 8.84 C ATOM 676 O GLY A 77 10.300 10.955 10.536 1.00 9.82 O ATOM 677 H GLY A 77 11.891 13.497 13.727 1.00 0.00 H ATOM 678 N TRP A 78 9.405 12.687 11.629 1.00 9.67 N ATOM 679 CA TRP A 78 8.240 12.804 10.735 1.00 8.19 C ATOM 680 C TRP A 78 8.574 13.376 9.362 1.00 8.67 C ATOM 681 O TRP A 78 8.089 12.872 8.351 1.00 9.26 O ATOM 682 CB TRP A 78 7.127 13.646 11.358 1.00 8.16 C ATOM 683 CG TRP A 78 6.032 12.857 12.025 1.00 7.93 C ATOM 684 CD1 TRP A 78 6.144 12.000 13.089 1.00 8.61 C ATOM 685 CD2 TRP A 78 4.653 12.858 11.655 1.00 8.11 C ATOM 686 NE1 TRP A 78 4.905 11.489 13.416 1.00 8.96 N ATOM 687 CE2 TRP A 78 3.971 11.998 12.554 1.00 8.17 C ATOM 688 CE3 TRP A 78 3.914 13.531 10.666 1.00 8.96 C ATOM 689 CZ2 TRP A 78 2.588 11.793 12.485 1.00 8.23 C ATOM 690 CZ3 TRP A 78 2.563 13.340 10.603 1.00 9.05 C ATOM 691 CH2 TRP A 78 1.906 12.459 11.490 1.00 9.96 C ATOM 692 HE1 TRP A 78 4.712 10.824 14.192 1.00 0.00 H ATOM 693 H TRP A 78 9.460 13.296 12.470 1.00 0.00 H ATOM 694 N ASP A 79 9.350 14.457 9.322 1.00 8.63 N ATOM 695 CA ASP A 79 9.762 15.028 8.029 1.00 9.31 C ATOM 696 C ASP A 79 10.509 13.964 7.229 1.00 9.00 C ATOM 697 O ASP A 79 10.226 13.764 6.047 1.00 9.20 O ATOM 698 CB ASP A 79 10.605 16.291 8.219 1.00 10.02 C ATOM 699 CG ASP A 79 9.767 17.562 8.308 1.00 10.13 C ATOM 700 OD1 ASP A 79 8.638 17.568 7.798 1.00 12.38 O ATOM 701 OD2 ASP A 79 10.273 18.558 8.872 1.00 11.80 O ATOM 702 H ASP A 79 9.667 14.900 10.208 1.00 0.00 H ATOM 703 N ILE A 80 11.409 13.242 7.890 1.00 8.61 N ATOM 704 CA ILE A 80 12.176 12.192 7.243 1.00 8.79 C ATOM 705 C ILE A 80 11.256 11.068 6.779 1.00 8.28 C ATOM 706 O ILE A 80 11.344 10.583 5.661 1.00 9.90 O ATOM 707 CB ILE A 80 13.269 11.696 8.200 1.00 9.92 C ATOM 708 CG1 ILE A 80 14.338 12.774 8.362 1.00 10.63 C ATOM 709 CG2 ILE A 80 13.921 10.421 7.690 1.00 9.36 C ATOM 710 CD1 ILE A 80 15.334 12.497 9.464 1.00 11.60 C ATOM 711 H ILE A 80 11.568 13.435 8.899 1.00 0.00 H ATOM 712 N CYS A 81 10.351 10.651 7.653 1.00 9.55 N ATOM 713 CA CYS A 81 9.455 9.555 7.318 1.00 8.91 C ATOM 714 C CYS A 81 8.547 9.906 6.145 1.00 8.67 C ATOM 715 O CYS A 81 8.473 9.178 5.142 1.00 8.37 O ATOM 716 CB CYS A 81 8.599 9.129 8.509 1.00 8.30 C ATOM 717 SG CYS A 81 7.655 7.621 8.179 1.00 9.91 S ATOM 718 H CYS A 81 10.281 11.110 8.584 1.00 0.00 H ATOM 719 N VAL A 82 7.849 11.024 6.249 1.00 8.15 N ATOM 720 CA VAL A 82 6.827 11.320 5.262 1.00 7.70 C ATOM 721 C VAL A 82 7.455 11.580 3.887 1.00 8.04 C ATOM 722 O VAL A 82 6.848 11.265 2.849 1.00 10.38 O ATOM 723 CB VAL A 82 5.894 12.454 5.726 1.00 9.27 C ATOM 724 CG1 VAL A 82 4.934 12.887 4.607 1.00 10.53 C ATOM 725 CG2 VAL A 82 5.148 11.995 6.977 1.00 8.44 C ATOM 726 H VAL A 82 8.031 11.685 7.031 1.00 0.00 H ATOM 727 N SER A 83 8.658 12.149 3.872 1.00 8.06 N ATOM 728 CA SER A 83 9.319 12.390 2.594 1.00 8.32 C ATOM 729 C SER A 83 9.711 11.089 1.861 1.00 9.32 C ATOM 730 O SER A 83 10.048 11.135 0.680 1.00 11.09 O ATOM 731 CB SER A 83 10.512 13.339 2.767 1.00 8.29 C ATOM 732 OG SER A 83 11.402 12.918 3.786 1.00 8.31 O ATOM 733 HG SER A 83 10.918 12.877 4.649 1.00 0.00 H ATOM 734 H SER A 83 9.122 12.419 4.763 1.00 0.00 H ATOM 735 N SER A 84 9.635 9.951 2.540 1.00 9.64 N ATOM 736 CA SER A 84 9.905 8.645 1.942 1.00 10.83 C ATOM 737 C SER A 84 8.633 7.909 1.538 1.00 9.69 C ATOM 738 O SER A 84 8.719 6.830 0.939 1.00 13.96 O ATOM 739 CB SER A 84 10.673 7.757 2.919 1.00 9.95 C ATOM 740 OG SER A 84 9.817 7.278 3.941 1.00 9.70 O ATOM 741 HG SER A 84 9.436 8.045 4.437 1.00 0.00 H ATOM 742 H SER A 84 9.371 9.991 3.545 1.00 0.00 H ATOM 743 N MET A 85 7.463 8.434 1.898 1.00 9.56 N ATOM 744 CA MET A 85 6.214 7.707 1.688 1.00 10.22 C ATOM 745 C MET A 85 5.625 7.972 0.319 1.00 12.14 C ATOM 746 O MET A 85 5.709 9.096 -0.203 1.00 13.59 O ATOM 747 CB MET A 85 5.177 8.086 2.745 1.00 10.61 C ATOM 748 CG MET A 85 5.586 7.754 4.165 1.00 11.83 C ATOM 749 SD MET A 85 4.377 8.238 5.401 1.00 10.66 S ATOM 750 CE MET A 85 3.121 7.010 5.094 1.00 11.02 C ATOM 751 H MET A 85 7.439 9.377 2.336 1.00 0.00 H ATOM 752 N ARG A 86 5.009 6.940 -0.244 1.00 11.39 N ATOM 753 CA ARG A 86 4.240 7.056 -1.482 1.00 11.57 C ATOM 754 C ARG A 86 2.777 7.313 -1.147 1.00 11.59 C ATOM 755 O ARG A 86 2.298 6.906 -0.089 1.00 11.06 O ATOM 756 CB ARG A 86 4.366 5.784 -2.337 1.00 12.80 C ATOM 757 CG ARG A 86 5.743 5.561 -2.941 1.00 15.99 C ATOM 758 CD ARG A 86 6.742 5.178 -1.857 1.00 21.00 C ATOM 759 NE ARG A 86 7.565 4.024 -2.197 1.00 25.32 N ATOM 760 CZ ARG A 86 8.068 3.186 -1.295 1.00 28.16 C ATOM 761 NH1 ARG A 86 8.789 2.152 -1.695 1.00 29.16 N ATOM 762 NH2 ARG A 86 7.851 3.371 0.009 1.00 29.19 N ATOM 763 HE ARG A 86 7.770 3.846 -3.201 1.00 0.00 H ATOM 764 HH12 ARG A 86 9.185 1.493 -0.995 1.00 0.00 H ATOM 765 HH11 ARG A 86 8.960 1.998 -2.709 1.00 0.00 H ATOM 766 HH22 ARG A 86 8.251 2.707 0.702 1.00 0.00 H ATOM 767 HH21 ARG A 86 7.282 4.179 0.332 1.00 0.00 H ATOM 768 H ARG A 86 5.076 6.009 0.215 1.00 0.00 H ATOM 769 N LYS A 87 2.060 8.018 -2.021 1.00 10.94 N ATOM 770 CA LYS A 87 0.655 8.289 -1.768 1.00 11.55 C ATOM 771 C LYS A 87 -0.063 6.971 -1.439 1.00 10.88 C ATOM 772 O LYS A 87 0.144 5.967 -2.123 1.00 10.78 O ATOM 773 CB LYS A 87 -0.007 8.990 -2.958 1.00 14.03 C ATOM 774 CG LYS A 87 -1.297 9.699 -2.592 1.00 17.44 C ATOM 775 CD LYS A 87 -2.020 10.223 -3.821 1.00 18.80 C ATOM 776 CE LYS A 87 -3.436 10.651 -3.472 1.00 20.21 C ATOM 777 NZ LYS A 87 -4.300 9.509 -3.083 1.00 21.15 N ATOM 778 HZ1 LYS A 87 -4.356 8.834 -3.872 1.00 0.00 H ATOM 779 HZ2 LYS A 87 -3.895 9.037 -2.249 1.00 0.00 H ATOM 780 HZ3 LYS A 87 -5.253 9.858 -2.856 1.00 0.00 H ATOM 781 H LYS A 87 2.508 8.376 -2.889 1.00 0.00 H ATOM 782 N ASN A 88 -0.884 6.996 -0.385 1.00 11.45 N ATOM 783 CA ASN A 88 -1.671 5.845 0.089 1.00 13.09 C ATOM 784 C ASN A 88 -0.914 4.789 0.908 1.00 14.50 C ATOM 785 O ASN A 88 -1.486 3.817 1.352 1.00 20.83 O ATOM 786 CB ASN A 88 -2.476 5.225 -1.057 1.00 13.99 C ATOM 787 CG ASN A 88 -3.212 6.267 -1.871 1.00 14.80 C ATOM 788 OD1 ASN A 88 -4.025 7.030 -1.351 1.00 18.82 O ATOM 789 ND2 ASN A 88 -2.916 6.310 -3.152 1.00 15.03 N ATOM 790 HD22 ASN A 88 -2.222 5.644 -3.548 1.00 0.00 H ATOM 791 HD21 ASN A 88 -3.376 7.010 -3.769 1.00 0.00 H ATOM 792 H ASN A 88 -0.973 7.891 0.137 1.00 0.00 H ATOM 793 N GLU A 89 0.376 5.006 1.112 1.00 9.54 N ATOM 794 CA GLU A 89 1.172 4.154 1.974 1.00 9.45 C ATOM 795 C GLU A 89 0.726 4.276 3.432 1.00 11.15 C ATOM 796 O GLU A 89 0.398 5.369 3.905 1.00 10.65 O ATOM 797 CB GLU A 89 2.641 4.536 1.847 1.00 10.18 C ATOM 798 CG GLU A 89 3.603 3.755 2.721 1.00 9.84 C ATOM 799 CD GLU A 89 5.037 4.169 2.499 1.00 9.43 C ATOM 800 OE1 GLU A 89 5.446 4.307 1.318 1.00 11.06 O ATOM 801 OE2 GLU A 89 5.788 4.344 3.490 1.00 12.13 O ATOM 802 H GLU A 89 0.832 5.812 0.640 1.00 0.00 H ATOM 803 N LYS A 90 0.658 3.135 4.102 1.00 12.45 N ATOM 804 CA LYS A 90 0.513 3.085 5.557 1.00 12.64 C ATOM 805 C LYS A 90 1.811 2.517 6.094 1.00 12.59 C ATOM 806 O LYS A 90 2.255 1.473 5.632 1.00 12.35 O ATOM 807 CB LYS A 90 -0.622 2.150 5.978 1.00 14.79 C ATOM 808 CG LYS A 90 -2.029 2.660 5.750 1.00 17.28 C ATOM 809 CD LYS A 90 -3.007 1.903 6.640 1.00 21.26 C ATOM 810 CE LYS A 90 -4.455 2.212 6.304 1.00 25.03 C ATOM 811 NZ LYS A 90 -4.875 1.621 4.998 1.00 26.53 N ATOM 812 HZ1 LYS A 90 -4.279 2.005 4.237 1.00 0.00 H ATOM 813 HZ2 LYS A 90 -4.767 0.587 5.036 1.00 0.00 H ATOM 814 HZ3 LYS A 90 -5.870 1.860 4.815 1.00 0.00 H ATOM 815 H LYS A 90 0.710 2.241 3.573 1.00 0.00 H ATOM 816 N CYS A 91 2.417 3.191 7.069 1.00 11.33 N ATOM 817 CA CYS A 91 3.649 2.704 7.654 1.00 11.46 C ATOM 818 C CYS A 91 3.623 2.760 9.168 1.00 11.73 C ATOM 819 O CYS A 91 2.793 3.439 9.768 1.00 11.58 O ATOM 820 CB CYS A 91 4.848 3.498 7.129 1.00 10.01 C ATOM 821 SG CYS A 91 4.977 5.178 7.744 1.00 11.92 S ATOM 822 H CYS A 91 2.000 4.079 7.415 1.00 0.00 H ATOM 823 N LEU A 92 4.505 1.968 9.758 1.00 10.25 N ATOM 824 CA LEU A 92 4.861 2.089 11.153 1.00 9.79 C ATOM 825 C LEU A 92 6.271 2.688 11.181 1.00 11.50 C ATOM 826 O LEU A 92 7.171 2.190 10.504 1.00 14.59 O ATOM 827 CB LEU A 92 4.848 0.718 11.801 1.00 11.27 C ATOM 828 CG LEU A 92 5.390 0.651 13.226 1.00 11.99 C ATOM 829 CD1 LEU A 92 4.519 1.389 14.227 1.00 13.91 C ATOM 830 CD2 LEU A 92 5.515 -0.819 13.620 1.00 13.58 C ATOM 831 H LEU A 92 4.962 1.225 9.192 1.00 0.00 H ATOM 832 N VAL A 93 6.460 3.780 11.910 1.00 10.21 N ATOM 833 CA VAL A 93 7.793 4.374 12.024 1.00 9.69 C ATOM 834 C VAL A 93 8.219 4.458 13.501 1.00 10.08 C ATOM 835 O VAL A 93 7.436 4.877 14.366 1.00 10.71 O ATOM 836 CB VAL A 93 7.892 5.744 11.284 1.00 10.00 C ATOM 837 CG1 VAL A 93 6.928 6.788 11.855 1.00 9.20 C ATOM 838 CG2 VAL A 93 9.333 6.266 11.266 1.00 8.94 C ATOM 839 H VAL A 93 5.656 4.217 12.404 1.00 0.00 H ATOM 840 N ARG A 94 9.463 4.058 13.751 1.00 9.45 N ATOM 841 CA ARG A 94 10.075 4.121 15.066 1.00 9.40 C ATOM 842 C ARG A 94 11.082 5.271 15.039 1.00 9.58 C ATOM 843 O ARG A 94 12.019 5.261 14.254 1.00 11.12 O ATOM 844 CB ARG A 94 10.763 2.798 15.382 1.00 10.46 C ATOM 845 CG ARG A 94 11.414 2.757 16.752 1.00 10.62 C ATOM 846 CD ARG A 94 12.147 1.454 16.981 1.00 11.24 C ATOM 847 NE ARG A 94 12.652 1.377 18.353 1.00 10.87 N ATOM 848 CZ ARG A 94 13.851 1.805 18.757 1.00 12.29 C ATOM 849 NH1 ARG A 94 14.720 2.364 17.908 1.00 14.35 N ATOM 850 NH2 ARG A 94 14.179 1.696 20.036 1.00 12.59 N ATOM 851 HE ARG A 94 12.028 0.956 19.070 1.00 0.00 H ATOM 852 HH12 ARG A 94 15.647 2.688 18.251 1.00 0.00 H ATOM 853 HH11 ARG A 94 14.469 2.475 16.905 1.00 0.00 H ATOM 854 HH22 ARG A 94 15.109 2.025 20.364 1.00 0.00 H ATOM 855 HH21 ARG A 94 13.506 1.281 20.712 1.00 0.00 H ATOM 856 H ARG A 94 10.027 3.680 12.963 1.00 0.00 H ATOM 857 N ILE A 95 10.869 6.243 15.927 1.00 9.74 N ATOM 858 CA ILE A 95 11.611 7.495 15.988 1.00 10.72 C ATOM 859 C ILE A 95 12.307 7.598 17.345 1.00 9.80 C ATOM 860 O ILE A 95 11.642 7.742 18.389 1.00 11.00 O ATOM 861 CB ILE A 95 10.654 8.691 15.791 1.00 10.80 C ATOM 862 CG1 ILE A 95 9.925 8.564 14.448 1.00 11.70 C ATOM 863 CG2 ILE A 95 11.386 10.026 15.868 1.00 11.03 C ATOM 864 CD1 ILE A 95 8.899 9.635 14.156 1.00 11.21 C ATOM 865 H ILE A 95 10.116 6.096 16.629 1.00 0.00 H ATOM 866 N GLU A 96 13.630 7.504 17.338 1.00 11.57 N ATOM 867 CA GLU A 96 14.403 7.649 18.566 1.00 11.26 C ATOM 868 C GLU A 96 14.344 9.093 19.035 1.00 12.17 C ATOM 869 O GLU A 96 14.023 9.995 18.266 1.00 12.41 O ATOM 870 CB GLU A 96 15.825 7.142 18.373 1.00 12.19 C ATOM 871 CG GLU A 96 15.795 5.640 18.117 1.00 13.19 C ATOM 872 CD GLU A 96 17.148 4.962 18.063 1.00 15.99 C ATOM 873 OE1 GLU A 96 18.149 5.636 17.816 1.00 20.01 O ATOM 874 OE2 GLU A 96 17.206 3.730 18.257 1.00 18.48 O ATOM 875 H GLU A 96 14.125 7.324 16.441 1.00 0.00 H ATOM 876 N SER A 97 14.677 9.302 20.308 1.00 14.12 N ATOM 877 CA SER A 97 14.434 10.602 20.928 1.00 14.51 C ATOM 878 C SER A 97 15.136 11.751 20.204 1.00 14.63 C ATOM 879 O SER A 97 14.572 12.825 20.106 1.00 13.71 O ATOM 880 CB SER A 97 14.766 10.590 22.427 1.00 15.77 C ATOM 881 OG SER A 97 16.115 10.256 22.668 1.00 15.84 O ATOM 882 HG SER A 97 16.301 9.355 22.303 1.00 0.00 H ATOM 883 H SER A 97 15.112 8.537 20.862 1.00 0.00 H ATOM 884 N MET A 98 16.322 11.512 19.652 1.00 14.68 N ATOM 885 CA MET A 98 17.067 12.552 18.915 1.00 16.05 C ATOM 886 C MET A 98 16.274 13.124 17.721 1.00 14.23 C ATOM 887 O MET A 98 16.473 14.285 17.328 1.00 16.44 O ATOM 888 CB MET A 98 18.404 11.953 18.449 1.00 20.29 C ATOM 889 CG MET A 98 19.390 12.911 17.820 1.00 26.80 C ATOM 890 SD MET A 98 21.011 12.120 17.672 1.00 37.90 S ATOM 891 CE MET A 98 20.788 11.026 16.277 1.00 31.18 C ATOM 892 H MET A 98 16.738 10.563 19.742 1.00 0.00 H ATOM 893 N TYR A 99 15.364 12.322 17.169 1.00 12.12 N ATOM 894 CA TYR A 99 14.538 12.723 16.010 1.00 11.14 C ATOM 895 C TYR A 99 13.092 13.002 16.407 1.00 9.96 C ATOM 896 O TYR A 99 12.233 13.247 15.555 1.00 9.43 O ATOM 897 CB TYR A 99 14.574 11.616 14.946 1.00 11.41 C ATOM 898 CG TYR A 99 15.958 11.360 14.437 1.00 13.71 C ATOM 899 CD1 TYR A 99 16.502 12.134 13.436 1.00 15.80 C ATOM 900 CD2 TYR A 99 16.738 10.359 14.989 1.00 16.89 C ATOM 901 CE1 TYR A 99 17.797 11.899 12.983 1.00 18.05 C ATOM 902 CE2 TYR A 99 18.016 10.129 14.561 1.00 16.73 C ATOM 903 CZ TYR A 99 18.543 10.889 13.552 1.00 17.91 C ATOM 904 OH TYR A 99 19.829 10.608 13.146 1.00 22.58 O ATOM 905 HH TYR A 99 19.875 9.674 12.821 1.00 0.00 H ATOM 906 H TYR A 99 15.229 11.372 17.571 1.00 0.00 H ATOM 907 N GLY A 100 12.846 12.995 17.717 1.00 11.33 N ATOM 908 CA GLY A 100 11.560 13.297 18.316 1.00 11.68 C ATOM 909 C GLY A 100 11.673 14.537 19.167 1.00 11.99 C ATOM 910 O GLY A 100 12.040 15.607 18.670 1.00 13.05 O ATOM 911 H GLY A 100 13.632 12.756 18.355 1.00 0.00 H ATOM 912 N TYR A 101 11.387 14.387 20.463 1.00 12.40 N ATOM 913 CA TYR A 101 11.382 15.513 21.400 1.00 12.22 C ATOM 914 C TYR A 101 12.601 15.574 22.313 1.00 13.10 C ATOM 915 O TYR A 101 12.661 16.393 23.246 1.00 16.57 O ATOM 916 CB TYR A 101 10.110 15.476 22.239 1.00 10.80 C ATOM 917 CG TYR A 101 8.882 15.672 21.373 1.00 10.52 C ATOM 918 CD1 TYR A 101 8.530 16.935 20.906 1.00 11.59 C ATOM 919 CD2 TYR A 101 8.107 14.588 20.985 1.00 11.79 C ATOM 920 CE1 TYR A 101 7.409 17.120 20.117 1.00 11.58 C ATOM 921 CE2 TYR A 101 6.977 14.756 20.195 1.00 10.63 C ATOM 922 CZ TYR A 101 6.634 16.025 19.759 1.00 11.65 C ATOM 923 OH TYR A 101 5.533 16.206 18.955 1.00 11.24 O ATOM 924 HH TYR A 101 4.724 15.890 19.430 1.00 0.00 H ATOM 925 H TYR A 101 11.160 13.437 20.820 1.00 0.00 H ATOM 926 N GLY A 102 13.567 14.707 22.066 1.00 15.61 N ATOM 927 CA GLY A 102 14.839 14.796 22.773 1.00 16.72 C ATOM 928 C GLY A 102 14.724 14.711 24.280 1.00 17.54 C ATOM 929 O GLY A 102 13.861 13.993 24.817 1.00 17.64 O ATOM 930 H GLY A 102 13.419 13.956 21.362 1.00 0.00 H ATOM 931 N ASP A 103 15.611 15.435 24.958 1.00 19.39 N ATOM 932 CA ASP A 103 15.665 15.426 26.418 1.00 21.48 C ATOM 933 C ASP A 103 14.483 16.177 27.052 1.00 23.29 C ATOM 934 O ASP A 103 14.089 15.876 28.182 1.00 25.72 O ATOM 935 CB ASP A 103 16.984 16.052 26.903 1.00 24.85 C ATOM 936 CG ASP A 103 18.208 15.232 26.531 1.00 28.00 C ATOM 937 OD1 ASP A 103 18.061 14.047 26.179 1.00 34.02 O ATOM 938 OD2 ASP A 103 19.331 15.776 26.611 1.00 36.01 O ATOM 939 H ASP A 103 16.287 16.026 24.432 1.00 0.00 H ATOM 940 N GLU A 104 13.938 17.164 26.343 1.00 24.38 N ATOM 941 CA GLU A 104 12.838 17.986 26.870 1.00 25.42 C ATOM 942 C GLU A 104 11.521 17.209 26.935 1.00 23.23 C ATOM 943 O GLU A 104 10.716 17.405 27.842 1.00 26.72 O ATOM 944 CB GLU A 104 12.664 19.245 26.004 1.00 31.38 C ATOM 945 CG GLU A 104 11.587 20.218 26.471 1.00 36.31 C ATOM 946 CD GLU A 104 11.444 21.419 25.549 1.00 40.97 C ATOM 947 OE1 GLU A 104 12.454 22.114 25.308 1.00 43.98 O ATOM 948 OE2 GLU A 104 10.319 21.672 25.066 1.00 42.94 O ATOM 949 H GLU A 104 14.301 17.359 25.388 1.00 0.00 H ATOM 950 N GLY A 105 11.285 16.337 25.963 1.00 19.30 N ATOM 951 CA GLY A 105 9.988 15.681 25.846 1.00 17.95 C ATOM 952 C GLY A 105 8.948 16.674 25.349 1.00 18.79 C ATOM 953 O GLY A 105 9.295 17.738 24.808 1.00 19.75 O ATOM 954 H GLY A 105 12.035 16.119 25.276 1.00 0.00 H ATOM 955 N CYS A 106 7.677 16.327 25.516 1.00 16.77 N ATOM 956 CA CYS A 106 6.577 17.189 25.086 1.00 18.64 C ATOM 957 C CYS A 106 5.438 17.147 26.094 1.00 21.65 C ATOM 958 O CYS A 106 4.649 16.198 26.132 1.00 22.32 O ATOM 959 CB CYS A 106 6.083 16.769 23.702 1.00 17.99 C ATOM 960 SG CYS A 106 4.906 17.919 22.969 1.00 22.47 S ATOM 961 H CYS A 106 7.458 15.415 25.966 1.00 0.00 H ATOM 962 N GLY A 107 5.383 18.181 26.928 1.00 25.73 N ATOM 963 CA GLY A 107 4.341 18.320 27.934 1.00 29.33 C ATOM 964 C GLY A 107 4.202 17.115 28.844 1.00 32.77 C ATOM 965 O GLY A 107 5.187 16.435 29.161 1.00 31.27 O ATOM 966 H GLY A 107 6.113 18.919 26.859 1.00 0.00 H ATOM 967 N GLU A 108 2.958 16.846 29.234 1.00 35.08 N ATOM 968 CA GLU A 108 2.635 15.806 30.204 1.00 35.24 C ATOM 969 C GLU A 108 2.561 14.413 29.578 1.00 34.66 C ATOM 970 O GLU A 108 2.565 13.413 30.297 1.00 41.36 O ATOM 971 CB GLU A 108 1.294 16.123 30.881 1.00 36.98 C ATOM 972 CG GLU A 108 1.219 17.486 31.556 1.00 36.29 C ATOM 973 CD GLU A 108 1.914 17.515 32.903 1.00 30.21 C ATOM 974 OE1 GLU A 108 2.518 16.492 33.286 1.00 34.88 O ATOM 975 OE2 GLU A 108 1.856 18.562 33.581 1.00 36.87 O ATOM 976 H GLU A 108 2.180 17.404 28.828 1.00 0.00 H ATOM 977 N SER A 109 2.493 14.345 28.249 1.00 32.14 N ATOM 978 CA SER A 109 2.263 13.074 27.551 1.00 29.53 C ATOM 979 C SER A 109 3.541 12.349 27.123 1.00 23.41 C ATOM 980 O SER A 109 3.558 11.123 27.064 1.00 26.38 O ATOM 981 CB SER A 109 1.379 13.308 26.326 1.00 32.55 C ATOM 982 OG SER A 109 1.865 14.395 25.551 1.00 37.26 O ATOM 983 HG SER A 109 1.278 14.527 24.765 1.00 0.00 H ATOM 984 H SER A 109 2.606 15.216 27.691 1.00 0.00 H ATOM 985 N ILE A 110 4.597 13.097 26.819 1.00 19.19 N ATOM 986 CA ILE A 110 5.828 12.508 26.304 1.00 15.37 C ATOM 987 C ILE A 110 7.017 12.886 27.169 1.00 14.21 C ATOM 988 O ILE A 110 7.433 14.052 27.194 1.00 17.07 O ATOM 989 CB ILE A 110 6.068 12.922 24.847 1.00 16.47 C ATOM 990 CG1 ILE A 110 4.881 12.441 23.998 1.00 19.31 C ATOM 991 CG2 ILE A 110 7.384 12.350 24.331 1.00 14.17 C ATOM 992 CD1 ILE A 110 4.940 12.840 22.550 1.00 21.39 C ATOM 993 H ILE A 110 4.544 14.127 26.952 1.00 0.00 H ATOM 994 N PRO A 111 7.562 11.906 27.909 1.00 14.97 N ATOM 995 CA PRO A 111 8.734 12.223 28.713 1.00 17.13 C ATOM 996 C PRO A 111 9.995 12.440 27.886 1.00 15.08 C ATOM 997 O PRO A 111 10.042 12.110 26.681 1.00 15.28 O ATOM 998 CB PRO A 111 8.923 10.977 29.588 1.00 21.65 C ATOM 999 CG PRO A 111 7.681 10.180 29.446 1.00 21.57 C ATOM 1000 CD PRO A 111 7.107 10.521 28.115 1.00 17.51 C ATOM 1001 N GLY A 112 11.035 12.944 28.534 1.00 15.35 N ATOM 1002 CA GLY A 112 12.342 13.035 27.911 1.00 14.71 C ATOM 1003 C GLY A 112 12.847 11.649 27.532 1.00 15.29 C ATOM 1004 O GLY A 112 12.448 10.652 28.133 1.00 17.62 O ATOM 1005 H GLY A 112 10.912 13.282 29.510 1.00 0.00 H ATOM 1006 N ASN A 113 13.723 11.612 26.529 1.00 15.04 N ATOM 1007 CA ASN A 113 14.368 10.394 26.072 1.00 17.16 C ATOM 1008 C ASN A 113 13.390 9.315 25.655 1.00 16.63 C ATOM 1009 O ASN A 113 13.620 8.136 25.923 1.00 18.07 O ATOM 1010 CB ASN A 113 15.321 9.867 27.151 1.00 19.13 C ATOM 1011 CG ASN A 113 16.354 10.893 27.560 1.00 23.52 C ATOM 1012 OD1 ASN A 113 16.490 11.215 28.742 1.00 37.46 O ATOM 1013 ND2 ASN A 113 17.093 11.413 26.589 1.00 23.54 N ATOM 1014 HD22 ASN A 113 16.944 11.112 25.605 1.00 0.00 H ATOM 1015 HD21 ASN A 113 17.821 12.121 26.812 1.00 0.00 H ATOM 1016 H ASN A 113 13.958 12.503 26.047 1.00 0.00 H ATOM 1017 N SER A 114 12.304 9.721 24.993 1.00 14.86 N ATOM 1018 CA SER A 114 11.275 8.788 24.545 1.00 13.92 C ATOM 1019 C SER A 114 11.456 8.363 23.097 1.00 13.84 C ATOM 1020 O SER A 114 11.537 9.197 22.208 1.00 15.02 O ATOM 1021 CB SER A 114 9.886 9.428 24.668 1.00 15.04 C ATOM 1022 OG SER A 114 9.508 9.592 26.015 1.00 17.21 O ATOM 1023 HG SER A 114 10.164 10.177 26.472 1.00 0.00 H ATOM 1024 H SER A 114 12.188 10.734 24.790 1.00 0.00 H ATOM 1025 N VAL A 115 11.468 7.057 22.870 1.00 12.51 N ATOM 1026 CA VAL A 115 11.284 6.480 21.537 1.00 11.41 C ATOM 1027 C VAL A 115 9.786 6.496 21.253 1.00 11.04 C ATOM 1028 O VAL A 115 8.973 6.123 22.107 1.00 13.08 O ATOM 1029 CB VAL A 115 11.802 5.019 21.440 1.00 12.05 C ATOM 1030 CG1 VAL A 115 11.475 4.412 20.078 1.00 11.73 C ATOM 1031 CG2 VAL A 115 13.299 4.961 21.710 1.00 12.04 C ATOM 1032 H VAL A 115 11.615 6.414 23.674 1.00 0.00 H ATOM 1033 N LEU A 116 9.435 6.962 20.058 1.00 10.80 N ATOM 1034 CA LEU A 116 8.056 7.090 19.644 1.00 10.78 C ATOM 1035 C LEU A 116 7.775 6.109 18.522 1.00 9.92 C ATOM 1036 O LEU A 116 8.613 5.887 17.640 1.00 10.35 O ATOM 1037 CB LEU A 116 7.779 8.519 19.148 1.00 10.11 C ATOM 1038 CG LEU A 116 8.256 9.685 20.038 1.00 10.82 C ATOM 1039 CD1 LEU A 116 8.041 11.034 19.357 1.00 12.74 C ATOM 1040 CD2 LEU A 116 7.589 9.650 21.403 1.00 12.75 C ATOM 1041 H LEU A 116 10.183 7.246 19.394 1.00 0.00 H ATOM 1042 N LEU A 117 6.580 5.545 18.555 1.00 9.05 N ATOM 1043 CA LEU A 117 6.094 4.703 17.475 1.00 9.29 C ATOM 1044 C LEU A 117 4.848 5.352 16.892 1.00 8.97 C ATOM 1045 O LEU A 117 3.888 5.593 17.608 1.00 11.03 O ATOM 1046 CB LEU A 117 5.786 3.302 18.005 1.00 11.47 C ATOM 1047 CG LEU A 117 7.014 2.518 18.482 1.00 14.10 C ATOM 1048 CD1 LEU A 117 6.639 1.385 19.417 1.00 15.47 C ATOM 1049 CD2 LEU A 117 7.776 1.997 17.279 1.00 15.43 C ATOM 1050 H LEU A 117 5.968 5.709 19.380 1.00 0.00 H ATOM 1051 N PHE A 118 4.868 5.657 15.595 1.00 9.10 N ATOM 1052 CA PHE A 118 3.675 6.167 14.925 1.00 9.64 C ATOM 1053 C PHE A 118 3.260 5.281 13.761 1.00 10.09 C ATOM 1054 O PHE A 118 4.109 4.806 13.011 1.00 11.00 O ATOM 1055 CB PHE A 118 3.923 7.532 14.292 1.00 9.84 C ATOM 1056 CG PHE A 118 4.057 8.694 15.267 1.00 9.16 C ATOM 1057 CD1 PHE A 118 5.276 9.003 15.828 1.00 9.83 C ATOM 1058 CD2 PHE A 118 2.958 9.495 15.569 1.00 9.48 C ATOM 1059 CE1 PHE A 118 5.425 10.095 16.670 1.00 9.72 C ATOM 1060 CE2 PHE A 118 3.095 10.583 16.413 1.00 8.89 C ATOM 1061 CZ PHE A 118 4.333 10.873 16.968 1.00 9.83 C ATOM 1062 H PHE A 118 5.746 5.530 15.052 1.00 0.00 H ATOM 1063 N GLU A 119 1.952 5.119 13.583 1.00 8.38 N ATOM 1064 CA GLU A 119 1.423 4.689 12.295 1.00 10.45 C ATOM 1065 C GLU A 119 1.085 5.959 11.555 1.00 10.08 C ATOM 1066 O GLU A 119 0.482 6.874 12.142 1.00 9.91 O ATOM 1067 CB GLU A 119 0.168 3.840 12.426 1.00 11.90 C ATOM 1068 CG GLU A 119 -0.425 3.510 11.063 1.00 12.05 C ATOM 1069 CD GLU A 119 -1.693 2.707 11.146 1.00 15.33 C ATOM 1070 OE1 GLU A 119 -2.143 2.445 12.266 1.00 15.92 O ATOM 1071 OE2 GLU A 119 -2.236 2.345 10.088 1.00 20.10 O ATOM 1072 H GLU A 119 1.299 5.301 14.372 1.00 0.00 H ATOM 1073 N ILE A 120 1.490 6.046 10.289 1.00 9.86 N ATOM 1074 CA ILE A 120 1.124 7.177 9.447 1.00 10.32 C ATOM 1075 C ILE A 120 0.533 6.670 8.139 1.00 10.46 C ATOM 1076 O ILE A 120 1.084 5.741 7.533 1.00 9.94 O ATOM 1077 CB ILE A 120 2.344 8.069 9.131 1.00 9.69 C ATOM 1078 CG1 ILE A 120 3.074 8.506 10.416 1.00 9.97 C ATOM 1079 CG2 ILE A 120 1.915 9.262 8.304 1.00 9.69 C ATOM 1080 CD1 ILE A 120 4.353 9.282 10.165 1.00 10.58 C ATOM 1081 H ILE A 120 2.082 5.288 9.892 1.00 0.00 H ATOM 1082 N GLU A 121 -0.580 7.269 7.721 1.00 9.30 N ATOM 1083 CA GLU A 121 -1.218 6.945 6.436 1.00 10.81 C ATOM 1084 C GLU A 121 -1.219 8.216 5.616 1.00 9.67 C ATOM 1085 O GLU A 121 -1.797 9.204 6.017 1.00 9.21 O ATOM 1086 CB GLU A 121 -2.655 6.423 6.610 1.00 12.15 C ATOM 1087 CG GLU A 121 -3.370 6.141 5.289 1.00 13.69 C ATOM 1088 CD GLU A 121 -4.808 5.711 5.482 1.00 19.02 C ATOM 1089 OE1 GLU A 121 -5.272 5.772 6.638 1.00 23.01 O ATOM 1090 OE2 GLU A 121 -5.473 5.320 4.486 1.00 23.49 O ATOM 1091 H GLU A 121 -1.015 7.994 8.326 1.00 0.00 H ATOM 1092 N LEU A 122 -0.541 8.194 4.465 1.00 10.14 N ATOM 1093 CA LEU A 122 -0.470 9.358 3.581 1.00 10.40 C ATOM 1094 C LEU A 122 -1.663 9.374 2.617 1.00 9.82 C ATOM 1095 O LEU A 122 -1.762 8.555 1.715 1.00 10.52 O ATOM 1096 CB LEU A 122 0.849 9.384 2.805 1.00 10.17 C ATOM 1097 CG LEU A 122 1.029 10.502 1.782 1.00 11.65 C ATOM 1098 CD1 LEU A 122 0.900 11.829 2.466 1.00 12.68 C ATOM 1099 CD2 LEU A 122 2.381 10.391 1.102 1.00 12.30 C ATOM 1100 H LEU A 122 -0.048 7.321 4.188 1.00 0.00 H ATOM 1101 N LEU A 123 -2.580 10.304 2.841 1.00 8.89 N ATOM 1102 CA LEU A 123 -3.814 10.387 2.085 1.00 9.62 C ATOM 1103 C LEU A 123 -3.697 11.221 0.819 1.00 10.05 C ATOM 1104 O LEU A 123 -4.181 10.814 -0.237 1.00 10.78 O ATOM 1105 CB LEU A 123 -4.930 10.947 2.963 1.00 11.60 C ATOM 1106 CG LEU A 123 -5.185 10.211 4.278 1.00 14.58 C ATOM 1107 CD1 LEU A 123 -6.183 10.969 5.131 1.00 19.13 C ATOM 1108 CD2 LEU A 123 -5.666 8.797 4.035 1.00 16.58 C ATOM 1109 H LEU A 123 -2.407 11.004 3.591 1.00 0.00 H ATOM 1110 N SER A 124 -3.067 12.383 0.922 1.00 10.00 N ATOM 1111 CA SER A 124 -3.092 13.370 -0.161 1.00 10.67 C ATOM 1112 C SER A 124 -1.997 14.398 0.092 1.00 10.84 C ATOM 1113 O SER A 124 -1.498 14.522 1.221 1.00 11.02 O ATOM 1114 CB SER A 124 -4.472 14.061 -0.208 1.00 11.07 C ATOM 1115 OG SER A 124 -4.616 14.935 -1.321 1.00 13.31 O ATOM 1116 HG SER A 124 -4.507 14.420 -2.160 1.00 0.00 H ATOM 1117 H SER A 124 -2.542 12.600 1.793 1.00 0.00 H ATOM 1118 N PHE A 125 -1.591 15.097 -0.964 1.00 10.16 N ATOM 1119 CA PHE A 125 -0.690 16.243 -0.834 1.00 10.76 C ATOM 1120 C PHE A 125 -0.946 17.274 -1.920 1.00 11.57 C ATOM 1121 O PHE A 125 -1.512 16.978 -2.964 1.00 11.54 O ATOM 1122 CB PHE A 125 0.782 15.819 -0.757 1.00 11.85 C ATOM 1123 CG PHE A 125 1.238 14.888 -1.844 1.00 11.35 C ATOM 1124 CD1 PHE A 125 1.743 15.383 -3.038 1.00 13.86 C ATOM 1125 CD2 PHE A 125 1.221 13.515 -1.649 1.00 13.01 C ATOM 1126 CE1 PHE A 125 2.196 14.519 -4.025 1.00 14.88 C ATOM 1127 CE2 PHE A 125 1.686 12.651 -2.629 1.00 16.35 C ATOM 1128 CZ PHE A 125 2.165 13.157 -3.814 1.00 16.95 C ATOM 1129 H PHE A 125 -1.924 14.821 -1.910 1.00 0.00 H ATOM 1130 N ARG A 126 -0.608 18.517 -1.631 1.00 12.03 N ATOM 1131 CA ARG A 126 -0.887 19.604 -2.568 1.00 12.80 C ATOM 1132 C ARG A 126 0.143 20.700 -2.446 1.00 15.66 C ATOM 1133 O ARG A 126 0.883 20.764 -1.466 1.00 16.50 O ATOM 1134 CB ARG A 126 -2.277 20.178 -2.304 1.00 12.80 C ATOM 1135 CG ARG A 126 -2.452 20.825 -0.932 1.00 13.36 C ATOM 1136 CD ARG A 126 -3.879 21.321 -0.766 1.00 14.00 C ATOM 1137 NE ARG A 126 -4.154 21.774 0.591 1.00 15.12 N ATOM 1138 CZ ARG A 126 -5.182 22.541 0.947 1.00 18.56 C ATOM 1139 NH1 ARG A 126 -6.071 22.965 0.050 1.00 20.94 N ATOM 1140 NH2 ARG A 126 -5.323 22.888 2.223 1.00 19.43 N ATOM 1141 HE ARG A 126 -3.496 21.475 1.339 1.00 0.00 H ATOM 1142 HH12 ARG A 126 -6.867 23.564 0.350 1.00 0.00 H ATOM 1143 HH11 ARG A 126 -5.969 22.697 -0.950 1.00 0.00 H ATOM 1144 HH22 ARG A 126 -6.122 23.487 2.514 1.00 0.00 H ATOM 1145 HH21 ARG A 126 -4.634 22.560 2.930 1.00 0.00 H ATOM 1146 H ARG A 126 -0.138 18.725 -0.727 1.00 0.00 H ATOM 1147 N GLU A 127 0.162 21.557 -3.453 1.00 15.11 N ATOM 1148 CA GLU A 127 0.996 22.750 -3.470 1.00 18.20 C ATOM 1149 C GLU A 127 0.200 23.945 -3.998 1.00 19.27 C ATOM 1150 O GLU A 127 -0.691 23.788 -4.837 1.00 22.74 O ATOM 1151 CB GLU A 127 2.222 22.511 -4.353 1.00 21.64 C ATOM 1152 CG GLU A 127 3.254 23.627 -4.286 1.00 24.55 C ATOM 1153 CD GLU A 127 3.655 23.947 -2.860 1.00 29.82 C ATOM 1154 OE1 GLU A 127 3.103 24.929 -2.291 1.00 33.10 O ATOM 1155 OE2 GLU A 127 4.492 23.196 -2.305 1.00 28.35 O ATOM 1156 H GLU A 127 -0.449 21.369 -4.273 1.00 0.00 H ATOM 1157 N LEU A 128 0.543 25.138 -3.518 1.00 21.72 N ATOM 1158 CA LEU A 128 -0.117 26.388 -3.948 1.00 23.84 C ATOM 1159 C LEU A 128 0.062 26.653 -5.444 1.00 25.55 C ATOM 1160 O LEU A 128 0.971 26.111 -6.074 1.00 34.02 O ATOM 1161 CB LEU A 128 0.437 27.583 -3.162 1.00 28.86 C ATOM 1162 CG LEU A 128 -0.309 28.108 -1.928 1.00 32.50 C ATOM 1163 CD1 LEU A 128 -0.858 27.009 -1.029 1.00 34.01 C ATOM 1164 CD2 LEU A 128 0.613 29.040 -1.148 1.00 32.02 C ATOM 1165 H LEU A 128 1.305 25.193 -2.813 1.00 0.00 H TER 1166 LEU A 128 HETATM 1167 O HOH 1 7.670 20.193 8.486 1.00 11.10 O HETATM 1168 O HOH 2 12.461 2.476 24.163 1.00 16.58 O HETATM 1169 O HOH 3 4.545 2.360 -0.457 1.00 12.22 O HETATM 1170 O HOH 4 14.319 3.725 15.247 1.00 15.19 O HETATM 1171 O HOH 5 -4.295 17.663 -0.552 1.00 15.81 O HETATM 1172 O HOH 6 -2.053 14.621 -4.300 1.00 19.61 O HETATM 1173 O HOH 7 -0.217 25.090 2.003 1.00 16.15 O HETATM 1174 O HOH 8 9.075 5.473 24.813 1.00 16.24 O HETATM 1175 O HOH 9 -2.734 18.031 1.684 1.00 16.12 O HETATM 1176 O HOH 10 11.887 5.062 25.054 1.00 16.92 O HETATM 1177 O HOH 11 12.724 16.635 16.148 1.00 18.11 O HETATM 1178 O HOH 12 10.157 13.654 -0.665 1.00 14.39 O HETATM 1179 O HOH 13 10.710 11.955 21.730 1.00 14.47 O HETATM 1180 O HOH 14 -4.588 13.786 -3.743 1.00 14.02 O HETATM 1181 O HOH 15 18.097 9.302 20.212 1.00 24.86 O HETATM 1182 O HOH 16 4.369 9.902 -9.609 1.00 22.43 O HETATM 1183 O HOH 17 15.981 7.213 22.041 1.00 24.53 O HETATM 1184 O HOH 18 10.636 3.681 1.746 1.00 27.05 O HETATM 1185 O HOH 19 -2.213 1.620 -0.090 1.00 19.02 O HETATM 1186 O HOH 20 11.455 12.682 24.322 1.00 16.08 O HETATM 1187 O HOH 21 9.247 0.364 11.998 1.00 19.45 O HETATM 1188 O HOH 22 -1.950 2.799 -4.174 1.00 26.23 O HETATM 1189 O HOH 23 0.906 -3.743 0.651 1.00 24.23 O HETATM 1190 O HOH 24 -4.737 0.861 10.143 1.00 23.82 O HETATM 1191 O HOH 25 -6.168 8.709 -0.030 1.00 24.06 O HETATM 1192 O HOH 26 5.859 26.692 8.159 1.00 32.12 O HETATM 1193 O HOH 27 21.829 7.926 17.096 1.00 28.36 O HETATM 1194 O HOH 28 8.839 -7.200 -2.315 1.00 29.57 O HETATM 1195 O HOH 29 9.733 -0.799 14.510 1.00 27.25 O HETATM 1196 O HOH 30 7.848 -1.728 16.727 1.00 25.82 O HETATM 1197 O HOH 31 9.452 -1.372 19.185 1.00 21.91 O HETATM 1198 O HOH 32 21.064 9.826 7.733 1.00 20.90 O HETATM 1199 O HOH 33 17.480 11.110 6.238 1.00 27.71 O HETATM 1200 O HOH 34 23.077 9.158 6.017 1.00 21.97 O HETATM 1201 O HOH 35 21.999 6.882 5.231 1.00 26.27 O HETATM 1202 O HOH 36 23.720 12.608 7.443 1.00 29.28 O HETATM 1203 O HOH 37 24.736 10.212 8.152 1.00 20.78 O HETATM 1204 O HOH 38 25.280 7.709 10.988 1.00 24.67 O HETATM 1205 O HOH 39 18.986 8.188 17.668 1.00 27.51 O HETATM 1206 O HOH 40 2.737 -3.056 -5.240 1.00 30.98 O HETATM 1207 O HOH 41 2.355 0.420 -6.783 1.00 35.57 O HETATM 1208 O HOH 42 -0.833 8.291 -6.900 1.00 29.88 O HETATM 1209 O HOH 43 9.359 1.587 -3.912 1.00 34.02 O HETATM 1210 O HOH 44 -1.133 23.713 6.246 1.00 29.46 O HETATM 1211 O HOH 45 0.713 23.606 8.426 1.00 17.76 O HETATM 1212 O HOH 46 -0.900 22.555 10.387 1.00 24.85 O HETATM 1213 O HOH 47 3.473 6.527 29.741 1.00 28.66 O HETATM 1214 O HOH 48 -1.921 2.657 27.907 1.00 27.58 O HETATM 1215 O HOH 49 -2.834 3.617 25.666 1.00 19.67 O HETATM 1216 O HOH 50 -3.876 6.296 26.182 1.00 28.95 O HETATM 1217 O HOH 51 -5.261 2.405 24.489 1.00 39.65 O HETATM 1218 O HOH 52 -5.803 16.092 13.277 1.00 20.80 O HETATM 1219 O HOH 53 16.352 2.740 21.459 1.00 33.90 O HETATM 1220 O HOH 54 15.227 6.294 24.714 1.00 31.17 O HETATM 1221 O HOH 55 18.267 18.096 18.088 1.00 42.67 O HETATM 1222 O HOH 56 16.168 16.578 19.609 1.00 45.00 O HETATM 1223 O HOH 57 4.953 -4.253 2.948 1.00 34.32 O HETATM 1224 O HOH 58 19.876 3.699 16.850 1.00 35.59 O HETATM 1225 O HOH 59 10.806 5.686 -0.542 1.00 31.50 O HETATM 1226 O HOH 60 -10.471 4.192 14.555 1.00 38.75 O HETATM 1227 O HOH 61 11.958 25.649 6.754 1.00 39.83 O HETATM 1228 O HOH 62 12.764 25.520 9.211 1.00 40.59 O HETATM 1229 O HOH 63 13.563 26.414 11.140 1.00 43.23 O HETATM 1230 O HOH 64 12.734 23.908 12.673 1.00 31.86 O HETATM 1231 O HOH 65 11.156 16.697 30.974 1.00 42.72 O HETATM 1232 O HOH 66 6.173 20.755 26.376 1.00 38.66 O HETATM 1233 O HOH 67 3.888 -1.554 18.624 1.00 39.97 O HETATM 1234 O HOH 68 8.714 6.281 29.773 1.00 46.75 O HETATM 1235 O HOH 69 18.985 15.060 15.052 1.00 47.85 O HETATM 1236 O HOH 70 6.701 -8.579 3.069 1.00 40.50 O HETATM 1237 O HOH 71 8.561 -10.102 4.648 1.00 39.11 O HETATM 1238 O HOH 72 6.128 -10.745 5.198 1.00 37.12 O HETATM 1239 O HOH 73 22.609 1.543 12.188 1.00 37.58 O HETATM 1240 O HOH 74 10.447 20.808 -3.325 1.00 35.15 O HETATM 1241 O HOH 75 11.593 17.799 -1.849 1.00 40.96 O HETATM 1242 O HOH 76 13.956 25.535 4.143 1.00 40.23 O HETATM 1243 O HOH 77 -0.682 14.184 22.969 1.00 32.50 O HETATM 1244 O HOH 78 8.511 20.279 23.118 1.00 37.45 O HETATM 1245 O HOH 79 -0.927 27.396 -7.986 1.00 49.07 O HETATM 1246 O HOH 80 17.810 1.563 16.045 1.00 36.74 O HETATM 1247 O HOH 81 11.171 25.702 11.631 1.00 36.99 O HETATM 1248 O HOH 82 5.718 -12.477 3.309 1.00 36.79 O HETATM 1249 O HOH 83 -2.656 -3.348 6.382 1.00 37.85 O HETATM 1250 O HOH 84 10.490 2.026 -8.582 1.00 35.55 O HETATM 1251 O HOH 85 15.444 18.041 6.848 1.00 33.10 O HETATM 1252 O HOH 86 15.786 18.376 24.094 1.00 30.36 O HETATM 1253 O HOH 87 17.692 16.982 23.477 1.00 35.48 O HETATM 1254 O HOH 88 -4.072 3.618 1.952 1.00 29.81 O HETATM 1255 O HOH 89 5.447 20.000 -5.687 1.00 32.69 O HETATM 1256 O HOH 90 5.435 25.602 2.159 1.00 38.45 O HETATM 1257 O HOH 91 4.280 -0.804 22.998 1.00 36.07 O HETATM 1258 O HOH 92 -4.274 15.924 18.292 1.00 34.28 O HETATM 1259 O HOH 93 -6.537 19.205 10.063 1.00 35.41 O HETATM 1260 O HOH 94 -4.068 19.425 10.869 1.00 31.06 O HETATM 1261 O HOH 95 -2.232 20.726 11.521 1.00 30.20 O HETATM 1262 O HOH 96 7.500 25.722 12.718 1.00 25.73 O HETATM 1263 O HOH 97 18.295 15.421 21.449 1.00 40.09 O HETATM 1264 O HOH 98 8.264 16.379 29.368 1.00 33.86 O HETATM 1265 O HOH 99 11.858 7.833 28.562 1.00 30.30 O HETATM 1266 C1 RAP A 100 4.607 16.748 15.978 1.00 0.26 C HETATM 1267 O1 RAP A 100 3.783 17.657 16.610 1.00 -0.27 O HETATM 1268 C34 RAP A 100 4.195 19.024 16.627 1.00 0.11 C HETATM 1269 C33 RAP A 100 2.948 19.902 16.430 1.00 0.05 C HETATM 1270 C32 RAP A 100 2.515 19.975 14.996 1.00 0.11 C HETATM 1271 C31 RAP A 100 1.987 21.184 14.426 1.00 0.03 C HETATM 1272 C30 RAP A 100 2.922 22.351 14.317 1.00 -0.03 C HETATM 1273 C29 RAP A 100 3.037 23.535 15.176 1.00 -0.01 C HETATM 1274 C28 RAP A 100 4.319 24.277 14.920 1.00 0.10 C HETATM 1275 C27 RAP A 100 4.034 25.644 14.464 1.00 0.16 C HETATM 1276 C26 RAP A 100 3.401 25.847 13.152 1.00 0.14 C HETATM 1277 C25 RAP A 100 2.074 25.442 12.670 1.00 0.03 C HETATM 1278 C24 RAP A 100 0.985 26.476 12.889 1.00 -0.02 C HETATM 1279 C23 RAP A 100 -0.465 25.982 12.930 1.00 -0.02 C HETATM 1280 C22 RAP A 100 -0.650 25.166 14.156 1.00 -0.08 C HETATM 1281 C21 RAP A 100 -1.294 23.964 14.066 1.00 -0.09 C HETATM 1282 C20 RAP A 100 -1.387 23.118 15.293 1.00 -0.09 C HETATM 1283 C19 RAP A 100 -1.918 21.871 15.280 1.00 -0.09 C HETATM 1284 C18 RAP A 100 -1.632 21.085 16.508 1.00 -0.02 C HETATM 1285 C17 RAP A 100 -2.499 19.915 16.769 1.00 -0.01 C HETATM 1286 C16 RAP A 100 -2.059 19.092 17.944 1.00 0.07 C HETATM 1287 C15 RAP A 100 -0.969 18.064 17.630 1.00 0.00 C HETATM 1288 C14 RAP A 100 -0.508 17.326 18.876 1.00 0.06 C HETATM 1289 O5 RAP A 100 0.147 16.138 18.370 1.00 -0.34 O HETATM 1290 C10 RAP A 100 0.856 15.329 19.277 1.00 0.25 C HETATM 1291 C9 RAP A 100 1.580 14.350 18.579 1.00 0.29 C HETATM 1292 C8 RAP A 100 2.858 14.560 17.885 1.00 0.28 C HETATM 1293 N7 RAP A 100 2.893 15.118 16.591 1.00 -0.24 N HETATM 1294 C2 RAP A 100 4.215 15.313 16.003 1.00 0.15 C HETATM 1295 C3 RAP A 100 4.215 14.774 14.594 1.00 -0.01 C HETATM 1296 C4 RAP A 100 3.048 15.282 13.781 1.00 -0.05 C HETATM 1297 C5 RAP A 100 1.773 14.944 14.423 1.00 -0.03 C HETATM 1298 C6 RAP A 100 1.707 15.530 15.812 1.00 0.04 C HETATM 1299 H8 RAP A 100 0.797 15.171 16.316 1.00 0.05 H HETATM 1300 H9 RAP A 100 1.679 16.628 15.743 1.00 0.05 H HETATM 1301 H6 RAP A 100 1.679 13.850 14.487 1.00 0.03 H HETATM 1302 H7 RAP A 100 0.946 15.348 13.820 1.00 0.03 H HETATM 1303 H4 RAP A 100 3.080 14.824 12.781 1.00 0.03 H HETATM 1304 H5 RAP A 100 3.124 16.375 13.686 1.00 0.03 H HETATM 1305 H2 RAP A 100 4.164 13.676 14.636 1.00 0.03 H HETATM 1306 H3 RAP A 100 5.149 15.079 14.099 1.00 0.03 H HETATM 1307 H1 RAP A 100 4.952 14.758 16.602 1.00 0.08 H HETATM 1308 O3 RAP A 100 3.865 14.267 18.447 1.00 -0.36 O HETATM 1309 O4 RAP A 100 1.042 13.382 18.373 1.00 -0.29 O HETATM 1310 O6 RAP A 100 -0.161 14.652 20.064 1.00 -0.36 O HETATM 1311 H10 RAP A 100 -0.711 14.132 19.489 1.00 0.21 H HETATM 1312 C11 RAP A 100 1.546 16.013 20.371 1.00 0.02 C HETATM 1313 C12 RAP A 100 1.087 17.336 20.797 1.00 -0.04 C HETATM 1314 C13 RAP A 100 0.423 18.132 19.731 1.00 -0.03 C HETATM 1315 H14 RAP A 100 1.200 18.567 19.085 1.00 0.03 H HETATM 1316 H15 RAP A 100 -0.152 18.940 20.207 1.00 0.03 H HETATM 1317 H12 RAP A 100 1.959 17.903 21.156 1.00 0.03 H HETATM 1318 H13 RAP A 100 0.371 17.202 21.622 1.00 0.03 H HETATM 1319 C43 RAP A 100 2.345 15.083 21.318 1.00 -0.06 C HETATM 1320 H54 RAP A 100 2.585 14.146 20.795 1.00 0.02 H HETATM 1321 H55 RAP A 100 1.740 14.860 22.209 1.00 0.02 H HETATM 1322 H56 RAP A 100 3.277 15.582 21.622 1.00 0.02 H HETATM 1323 H11 RAP A 100 2.406 16.374 19.788 1.00 0.03 H HETATM 1324 H16 RAP A 100 -1.381 17.046 19.484 1.00 0.06 H HETATM 1325 H17 RAP A 100 -1.367 17.333 16.911 1.00 0.03 H HETATM 1326 H18 RAP A 100 -0.107 18.584 17.186 1.00 0.03 H HETATM 1327 O7 RAP A 100 -3.200 18.455 18.451 1.00 -0.38 O HETATM 1328 C50 RAP A 100 -4.113 19.351 19.084 1.00 0.04 C HETATM 1329 H75 RAP A 100 -4.981 18.787 19.457 1.00 0.05 H HETATM 1330 H76 RAP A 100 -4.450 20.105 18.357 1.00 0.05 H HETATM 1331 H77 RAP A 100 -3.612 19.851 19.926 1.00 0.05 H HETATM 1332 H19 RAP A 100 -1.660 19.774 18.709 1.00 0.06 H HETATM 1333 C44 RAP A 100 -3.017 19.188 15.589 1.00 -0.06 C HETATM 1334 H57 RAP A 100 -3.643 18.347 15.922 1.00 0.02 H HETATM 1335 H58 RAP A 100 -2.174 18.805 14.995 1.00 0.02 H HETATM 1336 H59 RAP A 100 -3.619 19.871 14.973 1.00 0.02 H HETATM 1337 H20 RAP A 100 -3.415 20.389 17.151 1.00 0.03 H HETATM 1338 H21 RAP A 100 -0.596 20.722 16.437 1.00 0.04 H HETATM 1339 H22 RAP A 100 -1.724 21.765 17.367 1.00 0.04 H HETATM 1340 H23 RAP A 100 -2.501 21.481 14.447 1.00 0.06 H HETATM 1341 H24 RAP A 100 -1.014 23.518 16.235 1.00 0.04 H HETATM 1342 H25 RAP A 100 -1.728 23.632 13.124 1.00 0.04 H HETATM 1343 H26 RAP A 100 -0.277 25.521 15.116 1.00 0.06 H HETATM 1344 C45 RAP A 100 -1.382 27.200 12.891 1.00 -0.05 C HETATM 1345 H60 RAP A 100 -2.431 26.870 12.919 1.00 0.03 H HETATM 1346 H61 RAP A 100 -1.201 27.766 11.965 1.00 0.03 H HETATM 1347 H62 RAP A 100 -1.176 27.842 13.760 1.00 0.03 H HETATM 1348 H27 RAP A 100 -0.669 25.354 12.051 1.00 0.05 H HETATM 1349 H28 RAP A 100 1.191 26.972 13.849 1.00 0.03 H HETATM 1350 H29 RAP A 100 1.060 27.210 12.073 1.00 0.03 H HETATM 1351 C46 RAP A 100 1.982 24.583 11.473 1.00 -0.05 C HETATM 1352 H63 RAP A 100 2.836 23.890 11.453 1.00 0.03 H HETATM 1353 H64 RAP A 100 1.997 25.210 10.569 1.00 0.03 H HETATM 1354 H65 RAP A 100 1.044 24.009 11.505 1.00 0.03 H HETATM 1355 H30 RAP A 100 1.804 24.706 13.442 1.00 0.05 H HETATM 1356 O8 RAP A 100 4.072 26.434 12.337 1.00 -0.39 O HETATM 1357 O9 RAP A 100 5.008 26.554 14.733 1.00 -0.36 O HETATM 1358 C51 RAP A 100 5.208 27.055 16.053 1.00 0.04 C HETATM 1359 H78 RAP A 100 6.040 27.774 16.050 1.00 0.05 H HETATM 1360 H79 RAP A 100 5.447 26.221 16.729 1.00 0.05 H HETATM 1361 H80 RAP A 100 4.291 27.556 16.398 1.00 0.05 H HETATM 1362 H31 RAP A 100 3.229 25.941 15.152 1.00 0.09 H HETATM 1363 O10 RAP A 100 5.096 23.814 13.841 1.00 -0.39 O HETATM 1364 H33 RAP A 100 5.359 22.916 14.004 1.00 0.21 H HETATM 1365 H32 RAP A 100 4.912 24.275 15.847 1.00 0.06 H HETATM 1366 C47 RAP A 100 2.514 23.535 16.570 1.00 -0.06 C HETATM 1367 H66 RAP A 100 2.703 24.515 17.032 1.00 0.02 H HETATM 1368 H67 RAP A 100 3.021 22.752 17.152 1.00 0.02 H HETATM 1369 H68 RAP A 100 1.432 23.338 16.556 1.00 0.02 H HETATM 1370 H34 RAP A 100 2.300 24.202 14.704 1.00 0.03 H HETATM 1371 H35 RAP A 100 3.925 21.899 14.342 1.00 0.03 H HETATM 1372 H36 RAP A 100 2.729 22.761 13.314 1.00 0.03 H HETATM 1373 C48 RAP A 100 0.988 21.125 13.344 1.00 -0.05 C HETATM 1374 H69 RAP A 100 0.341 20.247 13.490 1.00 0.03 H HETATM 1375 H70 RAP A 100 1.502 21.045 12.375 1.00 0.03 H HETATM 1376 H71 RAP A 100 0.376 22.039 13.360 1.00 0.03 H HETATM 1377 H37 RAP A 100 1.348 21.511 15.259 1.00 0.05 H HETATM 1378 O11 RAP A 100 2.642 19.038 14.269 1.00 -0.39 O HETATM 1379 H38 RAP A 100 2.124 19.483 17.026 1.00 0.05 H HETATM 1380 H39 RAP A 100 3.174 20.919 16.782 1.00 0.05 H HETATM 1381 C35 RAP A 100 4.944 19.350 17.943 1.00 -0.01 C HETATM 1382 C36 RAP A 100 5.597 20.753 17.991 1.00 -0.04 C HETATM 1383 C37 RAP A 100 6.640 21.077 16.890 1.00 -0.04 C HETATM 1384 C38 RAP A 100 7.246 22.429 17.200 1.00 -0.02 C HETATM 1385 C39 RAP A 100 8.287 22.796 16.152 1.00 0.08 C HETATM 1386 O12 RAP A 100 8.918 24.004 16.535 1.00 -0.38 O HETATM 1387 C52 RAP A 100 8.482 25.089 15.771 1.00 0.04 C HETATM 1388 H81 RAP A 100 8.998 26.002 16.103 1.00 0.05 H HETATM 1389 H82 RAP A 100 7.396 25.214 15.898 1.00 0.05 H HETATM 1390 H83 RAP A 100 8.709 24.905 14.710 1.00 0.05 H HETATM 1391 C40 RAP A 100 9.388 21.801 16.066 1.00 0.08 C HETATM 1392 O13 RAP A 100 10.274 22.221 15.032 1.00 -0.39 O HETATM 1393 H49 RAP A 100 9.801 22.263 14.209 1.00 0.21 H HETATM 1394 C41 RAP A 100 8.768 20.460 15.730 1.00 -0.02 C HETATM 1395 C42 RAP A 100 7.732 20.041 16.786 1.00 -0.05 C HETATM 1396 H52 RAP A 100 7.290 19.076 16.497 1.00 0.03 H HETATM 1397 H53 RAP A 100 8.230 19.939 17.762 1.00 0.03 H HETATM 1398 H50 RAP A 100 9.562 19.700 15.686 1.00 0.03 H HETATM 1399 H51 RAP A 100 8.272 20.530 14.751 1.00 0.03 H HETATM 1400 H48 RAP A 100 9.929 21.737 17.022 1.00 0.06 H HETATM 1401 H47 RAP A 100 7.796 22.903 15.173 1.00 0.06 H HETATM 1402 H45 RAP A 100 7.725 22.393 18.190 1.00 0.03 H HETATM 1403 H46 RAP A 100 6.452 23.190 17.204 1.00 0.03 H HETATM 1404 H44 RAP A 100 6.121 21.127 15.921 1.00 0.03 H HETATM 1405 H42 RAP A 100 6.099 20.853 18.965 1.00 0.03 H HETATM 1406 H43 RAP A 100 4.791 21.498 17.915 1.00 0.03 H HETATM 1407 C49 RAP A 100 4.022 19.199 19.148 1.00 -0.06 C HETATM 1408 H72 RAP A 100 3.551 18.205 19.127 1.00 0.02 H HETATM 1409 H73 RAP A 100 3.243 19.975 19.113 1.00 0.02 H HETATM 1410 H74 RAP A 100 4.607 19.308 20.073 1.00 0.02 H HETATM 1411 H41 RAP A 100 5.753 18.611 18.039 1.00 0.03 H HETATM 1412 H40 RAP A 100 4.884 19.200 15.788 1.00 0.07 H HETATM 1413 O2 RAP A 100 5.619 17.137 15.447 1.00 -0.37 O CONECT 1 2 12 13 14 CONECT 12 1 CONECT 13 1 CONECT 14 1 CONECT 1266 1267 1294 1413 CONECT 1267 1266 1268 CONECT 1268 1267 1269 1381 1412 CONECT 1269 1268 1270 1379 1380 CONECT 1270 1269 1271 1378 CONECT 1271 1270 1272 1373 1377 CONECT 1272 1271 1273 1371 1372 CONECT 1273 1272 1274 1366 1370 CONECT 1274 1273 1275 1363 1365 CONECT 1275 1274 1276 1357 1362 CONECT 1276 1275 1277 1356 CONECT 1277 1276 1278 1351 1355 CONECT 1278 1277 1279 1349 1350 CONECT 1279 1278 1280 1344 1348 CONECT 1280 1279 1281 1343 CONECT 1281 1280 1282 1342 CONECT 1282 1281 1283 1341 CONECT 1283 1282 1284 1340 CONECT 1284 1283 1285 1338 1339 CONECT 1285 1284 1286 1333 1337 CONECT 1286 1285 1287 1327 1332 CONECT 1287 1286 1288 1325 1326 CONECT 1288 1287 1289 1314 1324 CONECT 1289 1288 1290 CONECT 1290 1289 1291 1310 1312 CONECT 1291 1290 1292 1309 CONECT 1292 1291 1293 1308 CONECT 1293 1292 1294 1298 CONECT 1294 1266 1293 1295 1307 CONECT 1295 1294 1296 1305 1306 CONECT 1296 1295 1297 1303 1304 CONECT 1297 1296 1298 1301 1302 CONECT 1298 1293 1297 1299 1300 CONECT 1299 1298 CONECT 1300 1298 CONECT 1301 1297 CONECT 1302 1297 CONECT 1303 1296 CONECT 1304 1296 CONECT 1305 1295 CONECT 1306 1295 CONECT 1307 1294 CONECT 1308 1292 CONECT 1309 1291 CONECT 1310 1290 1311 CONECT 1311 1310 CONECT 1312 1290 1313 1319 1323 CONECT 1313 1312 1314 1317 1318 CONECT 1314 1288 1313 1315 1316 CONECT 1315 1314 CONECT 1316 1314 CONECT 1317 1313 CONECT 1318 1313 CONECT 1319 1312 1320 1321 1322 CONECT 1320 1319 CONECT 1321 1319 CONECT 1322 1319 CONECT 1323 1312 CONECT 1324 1288 CONECT 1325 1287 CONECT 1326 1287 CONECT 1327 1286 1328 CONECT 1328 1327 1329 1330 1331 CONECT 1329 1328 CONECT 1330 1328 CONECT 1331 1328 CONECT 1332 1286 CONECT 1333 1285 1334 1335 1336 CONECT 1334 1333 CONECT 1335 1333 CONECT 1336 1333 CONECT 1337 1285 CONECT 1338 1284 CONECT 1339 1284 CONECT 1340 1283 CONECT 1341 1282 CONECT 1342 1281 CONECT 1343 1280 CONECT 1344 1279 1345 1346 1347 CONECT 1345 1344 CONECT 1346 1344 CONECT 1347 1344 CONECT 1348 1279 CONECT 1349 1278 CONECT 1350 1278 CONECT 1351 1277 1352 1353 1354 CONECT 1352 1351 CONECT 1353 1351 CONECT 1354 1351 CONECT 1355 1277 CONECT 1356 1276 CONECT 1357 1275 1358 CONECT 1358 1357 1359 1360 1361 CONECT 1359 1358 CONECT 1360 1358 CONECT 1361 1358 CONECT 1362 1275 CONECT 1363 1274 1364 CONECT 1364 1363 CONECT 1365 1274 CONECT 1366 1273 1367 1368 1369 CONECT 1367 1366 CONECT 1368 1366 CONECT 1369 1366 CONECT 1370 1273 CONECT 1371 1272 CONECT 1372 1272 CONECT 1373 1271 1374 1375 1376 CONECT 1374 1373 CONECT 1375 1373 CONECT 1376 1373 CONECT 1377 1271 CONECT 1378 1270 CONECT 1379 1269 CONECT 1380 1269 CONECT 1381 1268 1382 1407 1411 CONECT 1382 1381 1383 1405 1406 CONECT 1383 1382 1384 1395 1404 CONECT 1384 1383 1385 1402 1403 CONECT 1385 1384 1386 1391 1401 CONECT 1386 1385 1387 CONECT 1387 1386 1388 1389 1390 CONECT 1388 1387 CONECT 1389 1387 CONECT 1390 1387 CONECT 1391 1385 1392 1394 1400 CONECT 1392 1391 1393 CONECT 1393 1392 CONECT 1394 1391 1395 1398 1399 CONECT 1395 1383 1394 1396 1397 CONECT 1396 1395 CONECT 1397 1395 CONECT 1398 1394 CONECT 1399 1394 CONECT 1400 1391 CONECT 1401 1385 CONECT 1402 1384 CONECT 1403 1384 CONECT 1404 1383 CONECT 1405 1382 CONECT 1406 1382 CONECT 1407 1381 1408 1409 1410 CONECT 1408 1407 CONECT 1409 1407 CONECT 1410 1407 CONECT 1411 1381 CONECT 1412 1268 CONECT 1413 1266 MASTER 0 0 0 0 0 0 0 0 1412 1 152 10 END
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Structure:
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Related entries of code: 4qt2
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4j4n
RCSB PDB
PDBbind
129aa, >4J4N_1|Chains... at 95%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1fkb
RCSB PDB
PDBbind
RAP
1pbk
RCSB PDB
PDBbind
RAP
Entry Information
PDB ID
4qt2
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
FK506-Binding Domain of Plasmodium Falciparum FKBP35
Ligand Name
RAP
EC.Number
E.C.5.2.1.8
Resolution
1.44(Å)
Affinity (Kd/Ki/IC50)
IC50=0.48uM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) Acta Crystallogr.,Sect.D Vol. 71: pp. 1319-1327
Ligand Properties
Formula
C
5
1
H
8
3
NO
1
3
Molecular Weight
918.204
Exact Mass
917.586
No. of atoms
148
No. of bonds
151
Polar Surface Area
195.43
LOGP Value
7.25 (
Computed with XLOGP3
)
6.28 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 14
No. of Rings: 4
Canonical SMILES
CO[C@H]1C[C@@H]2CC[C@H]([C@](O2)(O)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H](CC(=O)[C@@H](C[C@H]([C@H]([C@H](C(=O)[C@@H](C[C@@H](/C=C/C=C/C[C@H]1C)C)C)OC)O)C)C)[C@@H](C[C@@H]1CC[C@H]([C@@H](C1)OC)O)C)C
InChI String
InChI=1S/C51H83NO13/c1-30-16-12-11-13-17-31(2)42(61-8)28-38-21-19-36(7)51(60,65-38)48(57)49(58)52-23-15-14-18-39(52)50(59)64-43(33(4)26-37-20-22-40(53)44(27-37)62-9)29-41(54)32(3)25-35(6)46(56)47(63-10)45(55)34(5)24-30/h11-13,16,30-40,42-44,46-47,53,56,60H,14-15,17-29H2,1-10H3/b13-11+,16-12+/t30-,31-,32-,33-,34-,35-,36-,37+,38+,39+,40-,42+,43+,44-,46-,47+,51-/m1/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):
Q8I4V8
Entrez Gene ID
NCBI Entrez Gene ID:
811507
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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