Browse entries in the PDBbind-CN Database
HEADER 5DIV_COMPLEX COMPND 5DIV_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 127 GLY ALA PRO ALA THR VAL THR GLU GLN GLY GLU ASP ILE SEQRES 2 A 127 THR SER LYS LYS ASP ARG GLY VAL LEU LYS ILE VAL LYS SEQRES 3 A 127 ARG VAL GLY ASN GLY GLU GLU THR PRO MET ILE GLY ASP SEQRES 4 A 127 LYS VAL TYR VAL HIS TYR LYS GLY LYS LEU SER ASN GLY SEQRES 5 A 127 LYS LYS PHE ASP SER SER HIS ASP ARG ASN GLU PRO PHE SEQRES 6 A 127 VAL PHE SER LEU GLY LYS GLY GLN VAL ILE LYS ALA TRP SEQRES 7 A 127 ASP ILE GLY VAL ALA THR MET LYS LYS GLY GLU ILE CYS SEQRES 8 A 127 HIS LEU LEU CYS LYS PRO GLU TYR ALA TYR GLY SER ALA SEQRES 9 A 127 GLY SER LEU PRO LYS ILE PRO SER ASN ALA THR LEU PHE SEQRES 10 A 127 PHE GLU ILE GLU LEU LEU ASP PHE LYS GLY HET UNN A 191 81 ATOM 1 N GLY A 13 11.493 -21.712 -12.590 1.00 59.00 N ATOM 2 CA GLY A 13 12.490 -22.827 -12.565 1.00 57.34 C ATOM 3 C GLY A 13 12.358 -23.724 -11.349 1.00 54.55 C ATOM 4 O GLY A 13 11.365 -23.661 -10.620 1.00 54.45 O ATOM 5 HN3 GLY A 13 11.619 -21.117 -11.746 1.00 0.00 H ATOM 6 HN2 GLY A 13 10.532 -22.108 -12.596 1.00 0.00 H ATOM 7 HN1 GLY A 13 11.638 -21.138 -13.445 1.00 0.00 H ATOM 8 N ALA A 14 13.361 -24.573 -11.137 1.00 53.92 N ATOM 9 CA ALA A 14 13.421 -25.409 -9.936 1.00 50.74 C ATOM 10 C ALA A 14 13.624 -24.569 -8.660 1.00 49.83 C ATOM 11 O ALA A 14 13.002 -24.860 -7.634 1.00 51.68 O ATOM 12 CB ALA A 14 14.498 -26.483 -10.074 1.00 49.55 C ATOM 13 H ALA A 14 14.122 -24.645 -11.842 1.00 0.00 H ATOM 14 N PRO A 15 14.492 -23.528 -8.712 1.00 48.47 N ATOM 15 CA PRO A 15 14.636 -22.598 -7.572 1.00 46.67 C ATOM 16 C PRO A 15 13.328 -21.931 -7.129 1.00 45.60 C ATOM 17 O PRO A 15 13.036 -21.890 -5.935 1.00 44.37 O ATOM 18 CB PRO A 15 15.606 -21.543 -8.100 1.00 47.28 C ATOM 19 CG PRO A 15 16.424 -22.259 -9.116 1.00 46.74 C ATOM 20 CD PRO A 15 15.518 -23.277 -9.745 1.00 48.77 C ATOM 21 N ALA A 16 12.559 -21.413 -8.086 1.00 44.22 N ATOM 22 CA ALA A 16 11.270 -20.784 -7.791 1.00 44.15 C ATOM 23 C ALA A 16 10.240 -21.771 -7.242 1.00 41.57 C ATOM 24 O ALA A 16 9.419 -21.398 -6.407 1.00 42.58 O ATOM 25 CB ALA A 16 10.721 -20.093 -9.033 1.00 44.87 C ATOM 26 H ALA A 16 12.884 -21.457 -9.073 1.00 0.00 H ATOM 27 N THR A 17 10.271 -23.011 -7.735 1.00 40.78 N ATOM 28 CA THR A 17 9.379 -24.085 -7.272 1.00 39.58 C ATOM 29 C THR A 17 9.630 -24.405 -5.792 1.00 38.26 C ATOM 30 O THR A 17 8.689 -24.640 -5.014 1.00 36.10 O ATOM 31 CB THR A 17 9.603 -25.383 -8.091 1.00 41.92 C ATOM 32 OG1 THR A 17 9.666 -25.068 -9.491 1.00 41.10 O ATOM 33 CG2 THR A 17 8.488 -26.415 -7.840 1.00 41.89 C ATOM 34 HG1 THR A 17 10.416 -24.443 -9.654 1.00 0.00 H ATOM 35 H THR A 17 10.960 -23.228 -8.483 1.00 0.00 H ATOM 36 N VAL A 18 10.910 -24.439 -5.427 1.00 37.24 N ATOM 37 CA VAL A 18 11.320 -24.701 -4.045 1.00 38.14 C ATOM 38 C VAL A 18 10.898 -23.547 -3.131 1.00 40.42 C ATOM 39 O VAL A 18 10.474 -23.783 -1.998 1.00 39.14 O ATOM 40 CB VAL A 18 12.848 -24.966 -3.937 1.00 37.71 C ATOM 41 CG1 VAL A 18 13.310 -25.016 -2.489 1.00 37.61 C ATOM 42 CG2 VAL A 18 13.204 -26.282 -4.627 1.00 37.95 C ATOM 43 H VAL A 18 11.643 -24.274 -6.146 1.00 0.00 H ATOM 44 N THR A 19 11.011 -22.310 -3.614 1.00 43.16 N ATOM 45 CA THR A 19 10.541 -21.161 -2.839 1.00 43.00 C ATOM 46 C THR A 19 9.052 -21.306 -2.526 1.00 41.70 C ATOM 47 O THR A 19 8.645 -21.122 -1.388 1.00 39.54 O ATOM 48 CB THR A 19 10.787 -19.819 -3.559 1.00 44.52 C ATOM 49 OG1 THR A 19 12.133 -19.755 -4.044 1.00 43.23 O ATOM 50 CG2 THR A 19 10.538 -18.638 -2.610 1.00 44.21 C ATOM 51 HG1 THR A 19 12.289 -20.497 -4.680 1.00 0.00 H ATOM 52 H THR A 19 11.437 -22.160 -4.551 1.00 0.00 H ATOM 53 N GLU A 20 8.256 -21.651 -3.535 1.00 44.78 N ATOM 54 CA GLU A 20 6.801 -21.760 -3.395 1.00 46.73 C ATOM 55 C GLU A 20 6.383 -22.959 -2.544 1.00 44.93 C ATOM 56 O GLU A 20 5.605 -22.814 -1.605 1.00 48.83 O ATOM 57 CB GLU A 20 6.134 -21.921 -4.769 1.00 49.90 C ATOM 58 CG GLU A 20 6.312 -20.762 -5.736 1.00 52.70 C ATOM 59 CD GLU A 20 6.067 -21.184 -7.180 1.00 56.55 C ATOM 60 OE1 GLU A 20 4.975 -21.739 -7.459 1.00 59.11 O ATOM 61 OE2 GLU A 20 6.965 -20.977 -8.034 1.00 51.21 O ATOM 62 H GLU A 20 8.684 -21.852 -4.461 1.00 0.00 H ATOM 63 N GLN A 21 6.899 -24.136 -2.895 1.00 39.12 N ATOM 64 CA GLN A 21 6.440 -25.409 -2.333 1.00 40.62 C ATOM 65 C GLN A 21 7.405 -26.079 -1.340 1.00 36.60 C ATOM 66 O GLN A 21 7.070 -27.111 -0.753 1.00 37.39 O ATOM 67 CB GLN A 21 6.164 -26.383 -3.479 1.00 42.31 C ATOM 68 CG GLN A 21 5.305 -25.799 -4.592 1.00 45.80 C ATOM 69 CD GLN A 21 4.957 -26.822 -5.655 1.00 48.36 C ATOM 70 OE1 GLN A 21 4.629 -27.969 -5.346 1.00 49.39 O ATOM 71 NE2 GLN A 21 5.018 -26.410 -6.920 1.00 51.26 N ATOM 72 HE22 GLN A 21 5.300 -25.432 -7.135 1.00 0.00 H ATOM 73 HE21 GLN A 21 4.784 -27.066 -7.692 1.00 0.00 H ATOM 74 H GLN A 21 7.663 -24.152 -3.601 1.00 0.00 H ATOM 75 N GLY A 22 8.587 -25.500 -1.141 1.00 37.06 N ATOM 76 CA GLY A 22 9.597 -26.130 -0.304 1.00 34.97 C ATOM 77 C GLY A 22 9.233 -26.127 1.168 1.00 34.61 C ATOM 78 O GLY A 22 8.620 -25.175 1.659 1.00 34.28 O ATOM 79 H GLY A 22 8.792 -24.585 -1.590 1.00 0.00 H ATOM 80 N GLU A 23 9.620 -27.192 1.865 1.00 32.43 N ATOM 81 CA GLU A 23 9.515 -27.248 3.324 1.00 33.25 C ATOM 82 C GLU A 23 10.681 -26.538 4.006 1.00 32.46 C ATOM 83 O GLU A 23 11.834 -26.799 3.681 1.00 27.33 O ATOM 84 CB GLU A 23 9.486 -28.701 3.792 1.00 36.29 C ATOM 85 CG GLU A 23 8.187 -29.416 3.459 1.00 42.29 C ATOM 86 CD GLU A 23 8.062 -30.755 4.171 1.00 45.59 C ATOM 87 OE1 GLU A 23 6.968 -31.358 4.097 1.00 48.45 O ATOM 88 OE2 GLU A 23 9.054 -31.199 4.804 1.00 46.71 O ATOM 89 H GLU A 23 10.010 -28.011 1.357 1.00 0.00 H ATOM 90 N ASP A 24 10.386 -25.684 4.984 1.00 30.29 N ATOM 91 CA ASP A 24 11.425 -25.035 5.786 1.00 30.49 C ATOM 92 C ASP A 24 11.952 -26.064 6.784 1.00 29.72 C ATOM 93 O ASP A 24 11.200 -26.528 7.669 1.00 28.76 O ATOM 94 CB ASP A 24 10.842 -23.816 6.531 1.00 31.69 C ATOM 95 CG ASP A 24 11.904 -22.923 7.156 1.00 34.32 C ATOM 96 OD1 ASP A 24 13.078 -23.328 7.299 1.00 30.66 O ATOM 97 OD2 ASP A 24 11.554 -21.763 7.511 1.00 34.14 O ATOM 98 H ASP A 24 9.388 -25.472 5.184 1.00 0.00 H ATOM 99 N ILE A 25 13.225 -26.444 6.629 1.00 26.07 N ATOM 100 CA ILE A 25 13.824 -27.438 7.525 1.00 25.08 C ATOM 101 C ILE A 25 14.806 -26.871 8.560 1.00 24.29 C ATOM 102 O ILE A 25 15.508 -27.628 9.223 1.00 26.05 O ATOM 103 CB ILE A 25 14.477 -28.587 6.723 1.00 24.64 C ATOM 104 CG1 ILE A 25 15.575 -28.055 5.778 1.00 23.43 C ATOM 105 CG2 ILE A 25 13.397 -29.335 5.965 1.00 25.96 C ATOM 106 CD1 ILE A 25 16.431 -29.171 5.200 1.00 22.88 C ATOM 107 H ILE A 25 13.796 -26.030 5.865 1.00 0.00 H ATOM 108 N THR A 26 14.845 -25.546 8.707 1.00 26.59 N ATOM 109 CA THR A 26 15.715 -24.895 9.708 1.00 27.18 C ATOM 110 C THR A 26 15.089 -24.973 11.101 1.00 29.76 C ATOM 111 O THR A 26 13.859 -24.962 11.216 1.00 33.06 O ATOM 112 CB THR A 26 15.889 -23.396 9.406 1.00 27.63 C ATOM 113 OG1 THR A 26 14.604 -22.762 9.451 1.00 26.10 O ATOM 114 CG2 THR A 26 16.516 -23.185 8.044 1.00 28.07 C ATOM 115 HG1 THR A 26 14.010 -23.174 8.774 1.00 0.00 H ATOM 116 H THR A 26 14.245 -24.953 8.099 1.00 0.00 H ATOM 117 N SER A 27 15.927 -25.018 12.139 1.00 32.39 N ATOM 118 CA SER A 27 15.457 -24.954 13.539 1.00 35.30 C ATOM 119 C SER A 27 14.760 -23.624 13.787 1.00 36.08 C ATOM 120 O SER A 27 13.685 -23.578 14.384 1.00 35.08 O ATOM 121 CB SER A 27 16.625 -25.053 14.527 1.00 35.75 C ATOM 122 OG SER A 27 17.397 -26.223 14.345 1.00 39.75 O ATOM 123 HG SER A 27 17.773 -26.230 13.429 1.00 0.00 H ATOM 124 H SER A 27 16.947 -25.101 11.956 1.00 0.00 H ATOM 125 N LYS A 28 15.389 -22.539 13.336 1.00 34.70 N ATOM 126 CA LYS A 28 14.842 -21.198 13.544 1.00 38.34 C ATOM 127 C LYS A 28 13.618 -20.861 12.677 1.00 36.45 C ATOM 128 O LYS A 28 12.946 -19.879 12.953 1.00 33.56 O ATOM 129 CB LYS A 28 15.913 -20.132 13.330 1.00 41.27 C ATOM 130 CG LYS A 28 16.955 -20.067 14.433 1.00 44.48 C ATOM 131 CD LYS A 28 17.808 -18.809 14.315 1.00 47.05 C ATOM 132 CE LYS A 28 18.846 -18.915 13.209 1.00 49.91 C ATOM 133 NZ LYS A 28 19.155 -17.585 12.610 1.00 51.05 N ATOM 134 HZ1 LYS A 28 18.287 -17.178 12.206 1.00 0.00 H ATOM 135 HZ2 LYS A 28 19.526 -16.952 13.347 1.00 0.00 H ATOM 136 HZ3 LYS A 28 19.867 -17.701 11.860 1.00 0.00 H ATOM 137 H LYS A 28 16.288 -22.648 12.825 1.00 0.00 H ATOM 138 N LYS A 29 13.320 -21.661 11.653 1.00 36.02 N ATOM 139 CA LYS A 29 12.164 -21.402 10.772 1.00 35.60 C ATOM 140 C LYS A 29 12.240 -20.027 10.063 1.00 35.28 C ATOM 141 O LYS A 29 11.245 -19.297 9.939 1.00 34.78 O ATOM 142 CB LYS A 29 10.846 -21.560 11.556 1.00 37.89 C ATOM 143 CG LYS A 29 10.557 -22.980 12.012 1.00 40.78 C ATOM 144 CD LYS A 29 10.253 -23.875 10.819 1.00 42.58 C ATOM 145 CE LYS A 29 9.842 -25.280 11.224 1.00 43.56 C ATOM 146 NZ LYS A 29 11.014 -26.136 11.536 1.00 45.38 N ATOM 147 HZ1 LYS A 29 11.624 -26.205 10.697 1.00 0.00 H ATOM 148 HZ2 LYS A 29 11.550 -25.715 12.322 1.00 0.00 H ATOM 149 HZ3 LYS A 29 10.686 -27.085 11.807 1.00 0.00 H ATOM 150 H LYS A 29 13.919 -22.491 11.470 1.00 0.00 H ATOM 151 N ASP A 30 13.430 -19.698 9.572 1.00 32.96 N ATOM 152 CA ASP A 30 13.680 -18.445 8.855 1.00 32.41 C ATOM 153 C ASP A 30 13.718 -18.613 7.318 1.00 31.62 C ATOM 154 O ASP A 30 14.142 -17.705 6.592 1.00 33.68 O ATOM 155 CB ASP A 30 14.989 -17.814 9.362 1.00 31.38 C ATOM 156 CG ASP A 30 16.199 -18.740 9.216 1.00 31.42 C ATOM 157 OD1 ASP A 30 17.245 -18.460 9.842 1.00 30.43 O ATOM 158 OD2 ASP A 30 16.112 -19.748 8.479 1.00 31.43 O ATOM 159 H ASP A 30 14.221 -20.361 9.703 1.00 0.00 H ATOM 160 N ARG A 31 13.264 -19.765 6.838 1.00 32.19 N ATOM 161 CA ARG A 31 13.272 -20.119 5.412 1.00 31.54 C ATOM 162 C ARG A 31 14.663 -20.148 4.789 1.00 29.58 C ATOM 163 O ARG A 31 14.791 -20.092 3.573 1.00 29.16 O ATOM 164 CB ARG A 31 12.321 -19.222 4.619 1.00 31.88 C ATOM 165 CG ARG A 31 10.866 -19.496 4.972 1.00 32.97 C ATOM 166 CD ARG A 31 9.936 -18.471 4.340 1.00 34.81 C ATOM 167 NE ARG A 31 9.972 -18.479 2.879 1.00 36.06 N ATOM 168 CZ ARG A 31 9.433 -19.413 2.089 1.00 36.33 C ATOM 169 NH1 ARG A 31 8.823 -20.484 2.597 1.00 36.27 N ATOM 170 NH2 ARG A 31 9.529 -19.287 0.760 1.00 35.75 N ATOM 171 HE ARG A 31 10.460 -17.688 2.413 1.00 0.00 H ATOM 172 HH12 ARG A 31 8.411 -21.198 1.962 1.00 0.00 H ATOM 173 HH11 ARG A 31 8.759 -20.606 3.628 1.00 0.00 H ATOM 174 HH22 ARG A 31 9.113 -20.009 0.138 1.00 0.00 H ATOM 175 HH21 ARG A 31 10.020 -18.467 0.350 1.00 0.00 H ATOM 176 H ARG A 31 12.880 -20.458 7.512 1.00 0.00 H ATOM 177 N GLY A 32 15.687 -20.289 5.622 1.00 28.23 N ATOM 178 CA GLY A 32 17.073 -20.291 5.158 1.00 27.75 C ATOM 179 C GLY A 32 17.469 -21.512 4.351 1.00 27.46 C ATOM 180 O GLY A 32 18.380 -21.445 3.534 1.00 26.41 O ATOM 181 H GLY A 32 15.497 -20.402 6.638 1.00 0.00 H ATOM 182 N VAL A 33 16.776 -22.617 4.607 1.00 23.78 N ATOM 183 CA VAL A 33 16.972 -23.876 3.920 1.00 23.05 C ATOM 184 C VAL A 33 15.595 -24.459 3.624 1.00 22.11 C ATOM 185 O VAL A 33 14.857 -24.815 4.542 1.00 21.95 O ATOM 186 CB VAL A 33 17.779 -24.879 4.756 1.00 22.63 C ATOM 187 CG1 VAL A 33 18.159 -26.079 3.893 1.00 23.06 C ATOM 188 CG2 VAL A 33 19.026 -24.215 5.326 1.00 23.02 C ATOM 189 H VAL A 33 16.047 -22.574 5.348 1.00 0.00 H ATOM 190 N LEU A 34 15.265 -24.535 2.337 1.00 20.72 N ATOM 191 CA LEU A 34 13.992 -25.073 1.847 1.00 22.90 C ATOM 192 C LEU A 34 14.194 -26.327 1.003 1.00 23.55 C ATOM 193 O LEU A 34 15.064 -26.368 0.119 1.00 22.08 O ATOM 194 CB LEU A 34 13.263 -24.009 1.004 1.00 24.03 C ATOM 195 CG LEU A 34 12.778 -22.737 1.698 1.00 26.33 C ATOM 196 CD1 LEU A 34 12.379 -21.674 0.671 1.00 26.30 C ATOM 197 CD2 LEU A 34 11.604 -23.084 2.602 1.00 27.17 C ATOM 198 H LEU A 34 15.952 -24.192 1.636 1.00 0.00 H ATOM 199 N LYS A 35 13.361 -27.339 1.241 1.00 21.34 N ATOM 200 CA LYS A 35 13.542 -28.652 0.643 1.00 21.34 C ATOM 201 C LYS A 35 12.285 -29.100 -0.075 1.00 23.52 C ATOM 202 O LYS A 35 11.172 -28.835 0.390 1.00 25.58 O ATOM 203 CB LYS A 35 13.910 -29.666 1.730 1.00 21.10 C ATOM 204 CG LYS A 35 14.090 -31.088 1.254 1.00 21.08 C ATOM 205 CD LYS A 35 14.285 -32.066 2.407 1.00 20.74 C ATOM 206 CE LYS A 35 14.451 -33.466 1.873 1.00 21.79 C ATOM 207 NZ LYS A 35 14.427 -34.528 2.909 1.00 22.61 N ATOM 208 HZ1 LYS A 35 15.201 -34.368 3.585 1.00 0.00 H ATOM 209 HZ2 LYS A 35 13.516 -34.501 3.410 1.00 0.00 H ATOM 210 HZ3 LYS A 35 14.547 -35.456 2.455 1.00 0.00 H ATOM 211 H LYS A 35 12.553 -27.185 1.877 1.00 0.00 H ATOM 212 N ILE A 36 12.462 -29.710 -1.240 1.00 22.98 N ATOM 213 CA ILE A 36 11.429 -30.504 -1.866 1.00 23.21 C ATOM 214 C ILE A 36 12.004 -31.865 -2.187 1.00 22.38 C ATOM 215 O ILE A 36 13.063 -31.936 -2.831 1.00 20.76 O ATOM 216 CB ILE A 36 10.970 -29.930 -3.214 1.00 23.90 C ATOM 217 CG1 ILE A 36 10.358 -28.535 -3.010 1.00 26.74 C ATOM 218 CG2 ILE A 36 9.991 -30.926 -3.844 1.00 23.46 C ATOM 219 CD1 ILE A 36 9.565 -28.022 -4.188 1.00 28.96 C ATOM 220 H ILE A 36 13.379 -29.613 -1.721 1.00 0.00 H ATOM 221 N VAL A 37 11.306 -32.927 -1.775 1.00 21.60 N ATOM 222 CA VAL A 37 11.692 -34.284 -2.135 1.00 21.29 C ATOM 223 C VAL A 37 11.261 -34.510 -3.590 1.00 22.92 C ATOM 224 O VAL A 37 10.091 -34.335 -3.918 1.00 22.83 O ATOM 225 CB VAL A 37 11.067 -35.351 -1.215 1.00 21.27 C ATOM 226 CG1 VAL A 37 11.342 -36.726 -1.753 1.00 20.57 C ATOM 227 CG2 VAL A 37 11.627 -35.258 0.208 1.00 20.58 C ATOM 228 H VAL A 37 10.465 -32.781 -1.181 1.00 0.00 H ATOM 229 N LYS A 38 12.212 -34.875 -4.459 1.00 22.86 N ATOM 230 CA LYS A 38 11.932 -35.156 -5.886 1.00 22.06 C ATOM 231 C LYS A 38 11.815 -36.658 -6.166 1.00 21.90 C ATOM 232 O LYS A 38 11.121 -37.090 -7.114 1.00 23.80 O ATOM 233 CB LYS A 38 13.039 -34.571 -6.770 1.00 21.80 C ATOM 234 CG LYS A 38 13.344 -33.083 -6.599 1.00 23.10 C ATOM 235 CD LYS A 38 12.145 -32.174 -6.799 1.00 25.03 C ATOM 236 CE LYS A 38 11.602 -32.300 -8.200 1.00 25.89 C ATOM 237 NZ LYS A 38 10.383 -31.474 -8.374 1.00 28.46 N ATOM 238 HZ1 LYS A 38 9.653 -31.789 -7.703 1.00 0.00 H ATOM 239 HZ2 LYS A 38 10.613 -30.476 -8.194 1.00 0.00 H ATOM 240 HZ3 LYS A 38 10.030 -31.579 -9.347 1.00 0.00 H ATOM 241 H LYS A 38 13.190 -34.965 -4.117 1.00 0.00 H ATOM 242 N ARG A 39 12.510 -37.461 -5.369 1.00 21.18 N ATOM 243 CA ARG A 39 12.403 -38.895 -5.418 1.00 20.50 C ATOM 244 C ARG A 39 12.444 -39.408 -3.994 1.00 21.52 C ATOM 245 O ARG A 39 13.337 -39.088 -3.241 1.00 19.33 O ATOM 246 CB ARG A 39 13.507 -39.536 -6.258 1.00 22.12 C ATOM 247 CG ARG A 39 13.395 -41.051 -6.402 1.00 23.04 C ATOM 248 CD ARG A 39 14.525 -41.581 -7.276 1.00 24.78 C ATOM 249 NE ARG A 39 14.438 -41.091 -8.649 1.00 24.75 N ATOM 250 CZ ARG A 39 15.380 -41.257 -9.579 1.00 25.98 C ATOM 251 NH1 ARG A 39 16.538 -41.870 -9.293 1.00 27.43 N ATOM 252 NH2 ARG A 39 15.179 -40.779 -10.797 1.00 25.58 N ATOM 253 HE ARG A 39 13.578 -40.574 -8.922 1.00 0.00 H ATOM 254 HH12 ARG A 39 17.260 -41.989 -10.032 1.00 0.00 H ATOM 255 HH11 ARG A 39 16.714 -42.226 -8.332 1.00 0.00 H ATOM 256 HH22 ARG A 39 15.906 -40.902 -11.530 1.00 0.00 H ATOM 257 HH21 ARG A 39 14.294 -40.280 -11.020 1.00 0.00 H ATOM 258 H ARG A 39 13.161 -37.035 -4.679 1.00 0.00 H ATOM 259 N VAL A 40 11.463 -40.222 -3.642 1.00 22.20 N ATOM 260 CA VAL A 40 11.381 -40.798 -2.316 1.00 24.18 C ATOM 261 C VAL A 40 12.385 -41.936 -2.162 1.00 23.24 C ATOM 262 O VAL A 40 12.588 -42.759 -3.081 1.00 22.47 O ATOM 263 CB VAL A 40 9.924 -41.274 -2.021 1.00 24.98 C ATOM 264 CG1 VAL A 40 9.853 -42.070 -0.738 1.00 26.43 C ATOM 265 CG2 VAL A 40 8.995 -40.078 -1.961 1.00 25.35 C ATOM 266 H VAL A 40 10.728 -40.456 -4.339 1.00 0.00 H ATOM 267 N GLY A 41 13.069 -41.950 -1.010 1.00 23.47 N ATOM 268 CA GLY A 41 14.071 -42.952 -0.721 1.00 23.89 C ATOM 269 C GLY A 41 13.472 -44.194 -0.098 1.00 27.48 C ATOM 270 O GLY A 41 12.258 -44.337 -0.076 1.00 29.65 O ATOM 271 H GLY A 41 12.873 -41.216 -0.300 1.00 0.00 H ATOM 272 N ASN A 42 14.334 -45.084 0.380 1.00 31.28 N ATOM 273 CA ASN A 42 13.927 -46.388 0.925 1.00 33.01 C ATOM 274 C ASN A 42 13.836 -46.378 2.444 1.00 34.83 C ATOM 275 O ASN A 42 14.598 -45.685 3.127 1.00 31.31 O ATOM 276 CB ASN A 42 14.934 -47.457 0.525 1.00 37.29 C ATOM 277 CG ASN A 42 15.092 -47.564 -0.976 1.00 40.60 C ATOM 278 OD1 ASN A 42 14.101 -47.698 -1.706 1.00 44.51 O ATOM 279 ND2 ASN A 42 16.336 -47.496 -1.450 1.00 42.82 N ATOM 280 HD22 ASN A 42 17.136 -47.383 -0.796 1.00 0.00 H ATOM 281 HD21 ASN A 42 16.506 -47.556 -2.474 1.00 0.00 H ATOM 282 H ASN A 42 15.347 -44.847 0.368 1.00 0.00 H ATOM 283 N GLY A 43 12.885 -47.148 2.971 1.00 33.39 N ATOM 284 CA GLY A 43 12.704 -47.278 4.412 1.00 33.43 C ATOM 285 C GLY A 43 12.505 -45.973 5.156 1.00 32.25 C ATOM 286 O GLY A 43 11.890 -45.020 4.651 1.00 30.80 O ATOM 287 H GLY A 43 12.252 -47.673 2.335 1.00 0.00 H ATOM 288 N GLU A 44 13.044 -45.925 6.370 1.00 29.68 N ATOM 289 CA GLU A 44 12.806 -44.785 7.261 1.00 28.62 C ATOM 290 C GLU A 44 14.102 -44.128 7.752 1.00 24.98 C ATOM 291 O GLU A 44 14.092 -42.957 8.131 1.00 21.61 O ATOM 292 CB GLU A 44 11.934 -45.233 8.448 1.00 30.89 C ATOM 293 CG GLU A 44 10.599 -45.853 8.004 1.00 34.21 C ATOM 294 CD GLU A 44 9.585 -46.073 9.122 1.00 38.15 C ATOM 295 OE1 GLU A 44 9.888 -45.776 10.302 1.00 39.01 O ATOM 296 OE2 GLU A 44 8.466 -46.564 8.809 1.00 42.65 O ATOM 297 H GLU A 44 13.645 -46.710 6.694 1.00 0.00 H ATOM 298 N GLU A 45 15.209 -44.859 7.720 1.00 22.79 N ATOM 299 CA GLU A 45 16.421 -44.373 8.375 1.00 24.23 C ATOM 300 C GLU A 45 17.084 -43.186 7.674 1.00 22.04 C ATOM 301 O GLU A 45 17.101 -43.086 6.459 1.00 20.73 O ATOM 302 CB GLU A 45 17.413 -45.501 8.630 1.00 27.18 C ATOM 303 CG GLU A 45 17.944 -46.205 7.391 1.00 32.97 C ATOM 304 CD GLU A 45 18.945 -47.291 7.743 1.00 36.71 C ATOM 305 OE1 GLU A 45 19.192 -47.487 8.959 1.00 41.69 O ATOM 306 OE2 GLU A 45 19.476 -47.935 6.808 1.00 38.84 O ATOM 307 H GLU A 45 15.214 -45.776 7.230 1.00 0.00 H ATOM 308 N THR A 46 17.600 -42.267 8.484 1.00 19.97 N ATOM 309 CA THR A 46 18.329 -41.086 8.023 1.00 18.80 C ATOM 310 C THR A 46 19.663 -41.057 8.766 1.00 20.09 C ATOM 311 O THR A 46 19.806 -41.694 9.826 1.00 18.58 O ATOM 312 CB THR A 46 17.508 -39.807 8.255 1.00 19.06 C ATOM 313 OG1 THR A 46 17.175 -39.639 9.647 1.00 16.88 O ATOM 314 CG2 THR A 46 16.271 -39.877 7.457 1.00 18.22 C ATOM 315 HG1 THR A 46 16.648 -38.809 9.761 1.00 0.00 H ATOM 316 H THR A 46 17.478 -42.396 9.509 1.00 0.00 H ATOM 317 N PRO A 47 20.663 -40.365 8.191 1.00 19.37 N ATOM 318 CA PRO A 47 22.012 -40.459 8.730 1.00 20.06 C ATOM 319 C PRO A 47 22.221 -39.742 10.079 1.00 21.14 C ATOM 320 O PRO A 47 21.556 -38.742 10.354 1.00 19.76 O ATOM 321 CB PRO A 47 22.883 -39.816 7.643 1.00 20.75 C ATOM 322 CG PRO A 47 21.988 -39.081 6.713 1.00 21.76 C ATOM 323 CD PRO A 47 20.616 -39.714 6.859 1.00 19.72 C ATOM 324 N MET A 48 23.147 -40.267 10.890 1.00 22.05 N ATOM 325 CA MET A 48 23.488 -39.712 12.190 1.00 22.96 C ATOM 326 C MET A 48 24.687 -38.793 12.042 1.00 21.16 C ATOM 327 O MET A 48 25.476 -38.941 11.109 1.00 20.23 O ATOM 328 CB MET A 48 23.912 -40.834 13.151 1.00 25.75 C ATOM 329 CG MET A 48 22.973 -42.025 13.219 1.00 29.47 C ATOM 330 SD MET A 48 21.540 -41.375 14.051 1.00 34.67 S ATOM 331 CE MET A 48 20.550 -42.845 14.386 1.00 34.74 C ATOM 332 H MET A 48 23.651 -41.120 10.573 1.00 0.00 H ATOM 333 N ILE A 49 24.865 -37.902 13.007 1.00 21.77 N ATOM 334 CA ILE A 49 26.078 -37.090 13.081 1.00 21.93 C ATOM 335 C ILE A 49 27.325 -37.974 13.106 1.00 22.43 C ATOM 336 O ILE A 49 27.389 -38.992 13.807 1.00 20.07 O ATOM 337 CB ILE A 49 26.031 -36.119 14.278 1.00 23.62 C ATOM 338 CG1 ILE A 49 24.972 -35.040 14.009 1.00 27.05 C ATOM 339 CG2 ILE A 49 27.387 -35.458 14.506 1.00 23.23 C ATOM 340 CD1 ILE A 49 24.590 -34.257 15.221 1.00 29.22 C ATOM 341 H ILE A 49 24.125 -37.778 13.727 1.00 0.00 H ATOM 342 N GLY A 50 28.318 -37.579 12.319 1.00 19.79 N ATOM 343 CA GLY A 50 29.500 -38.371 12.110 1.00 21.14 C ATOM 344 C GLY A 50 29.462 -39.482 11.075 1.00 22.00 C ATOM 345 O GLY A 50 30.519 -40.047 10.730 1.00 23.51 O ATOM 346 H GLY A 50 28.238 -36.662 11.835 1.00 0.00 H ATOM 347 N ASP A 51 28.279 -39.800 10.543 1.00 22.77 N ATOM 348 CA ASP A 51 28.157 -40.819 9.510 1.00 22.63 C ATOM 349 C ASP A 51 28.880 -40.297 8.280 1.00 21.71 C ATOM 350 O ASP A 51 28.822 -39.123 7.983 1.00 20.77 O ATOM 351 CB ASP A 51 26.692 -41.085 9.104 1.00 23.24 C ATOM 352 CG ASP A 51 25.931 -41.961 10.095 1.00 26.58 C ATOM 353 OD1 ASP A 51 26.448 -42.283 11.197 1.00 25.38 O ATOM 354 OD2 ASP A 51 24.781 -42.339 9.742 1.00 26.04 O ATOM 355 H ASP A 51 27.425 -39.308 10.874 1.00 0.00 H ATOM 356 N LYS A 52 29.552 -41.208 7.608 1.00 23.59 N ATOM 357 CA LYS A 52 30.146 -40.997 6.310 1.00 25.01 C ATOM 358 C LYS A 52 28.999 -41.063 5.306 1.00 23.03 C ATOM 359 O LYS A 52 28.374 -42.100 5.155 1.00 21.37 O ATOM 360 CB LYS A 52 31.132 -42.139 6.048 1.00 28.91 C ATOM 361 CG LYS A 52 32.201 -41.847 5.015 1.00 33.18 C ATOM 362 CD LYS A 52 33.487 -42.611 5.346 1.00 35.74 C ATOM 363 CE LYS A 52 34.097 -42.126 6.662 1.00 38.98 C ATOM 364 NZ LYS A 52 35.410 -42.732 7.031 1.00 43.12 N ATOM 365 HZ1 LYS A 52 35.301 -43.762 7.122 1.00 0.00 H ATOM 366 HZ2 LYS A 52 36.109 -42.520 6.290 1.00 0.00 H ATOM 367 HZ3 LYS A 52 35.732 -42.334 7.937 1.00 0.00 H ATOM 368 H LYS A 52 29.663 -42.146 8.043 1.00 0.00 H ATOM 369 N VAL A 53 28.693 -39.942 4.657 1.00 21.84 N ATOM 370 CA VAL A 53 27.623 -39.935 3.647 1.00 21.36 C ATOM 371 C VAL A 53 28.168 -39.819 2.233 1.00 20.94 C ATOM 372 O VAL A 53 29.089 -39.070 2.000 1.00 21.52 O ATOM 373 CB VAL A 53 26.570 -38.849 3.914 1.00 21.89 C ATOM 374 CG1 VAL A 53 26.091 -38.974 5.342 1.00 20.37 C ATOM 375 CG2 VAL A 53 27.116 -37.449 3.696 1.00 22.57 C ATOM 376 H VAL A 53 29.213 -39.066 4.865 1.00 0.00 H ATOM 377 N TYR A 54 27.559 -40.569 1.321 1.00 19.24 N ATOM 378 CA TYR A 54 27.930 -40.607 -0.084 1.00 18.47 C ATOM 379 C TYR A 54 26.800 -40.034 -0.887 1.00 18.27 C ATOM 380 O TYR A 54 25.660 -40.530 -0.782 1.00 17.50 O ATOM 381 CB TYR A 54 28.082 -42.043 -0.525 1.00 20.79 C ATOM 382 CG TYR A 54 29.145 -42.815 0.186 1.00 23.89 C ATOM 383 CD1 TYR A 54 30.366 -43.072 -0.436 1.00 26.44 C ATOM 384 CD2 TYR A 54 28.932 -43.306 1.478 1.00 26.47 C ATOM 385 CE1 TYR A 54 31.351 -43.800 0.209 1.00 28.59 C ATOM 386 CE2 TYR A 54 29.908 -44.046 2.122 1.00 29.16 C ATOM 387 CZ TYR A 54 31.105 -44.284 1.473 1.00 29.16 C ATOM 388 OH TYR A 54 32.056 -45.010 2.100 1.00 31.81 O ATOM 389 HH TYR A 54 32.848 -45.093 1.512 1.00 0.00 H ATOM 390 H TYR A 54 26.767 -41.167 1.632 1.00 0.00 H ATOM 391 N VAL A 55 27.085 -38.982 -1.662 1.00 16.38 N ATOM 392 CA VAL A 55 26.073 -38.363 -2.488 1.00 16.79 C ATOM 393 C VAL A 55 26.538 -38.135 -3.920 1.00 17.13 C ATOM 394 O VAL A 55 27.735 -38.093 -4.206 1.00 18.32 O ATOM 395 CB VAL A 55 25.531 -37.025 -1.908 1.00 16.87 C ATOM 396 CG1 VAL A 55 25.202 -37.147 -0.412 1.00 18.03 C ATOM 397 CG2 VAL A 55 26.511 -35.891 -2.151 1.00 16.90 C ATOM 398 H VAL A 55 28.053 -38.602 -1.671 1.00 0.00 H ATOM 399 N HIS A 56 25.576 -38.031 -4.820 1.00 17.97 N ATOM 400 CA HIS A 56 25.777 -37.275 -6.048 1.00 16.85 C ATOM 401 C HIS A 56 24.958 -36.004 -5.936 1.00 17.21 C ATOM 402 O HIS A 56 23.865 -36.013 -5.368 1.00 16.39 O ATOM 403 CB HIS A 56 25.336 -38.090 -7.278 1.00 18.43 C ATOM 404 CG HIS A 56 26.432 -38.908 -7.879 1.00 20.53 C ATOM 405 ND1 HIS A 56 26.286 -40.244 -8.202 1.00 23.75 N ATOM 406 CD2 HIS A 56 27.696 -38.572 -8.237 1.00 21.23 C ATOM 407 CE1 HIS A 56 27.414 -40.691 -8.728 1.00 22.20 C ATOM 408 NE2 HIS A 56 28.281 -39.697 -8.765 1.00 23.75 N ATOM 409 H HIS A 56 24.662 -38.496 -4.649 1.00 0.00 H ATOM 410 N TYR A 57 25.442 -34.928 -6.534 1.00 15.19 N ATOM 411 CA TYR A 57 24.745 -33.660 -6.477 1.00 16.09 C ATOM 412 C TYR A 57 25.003 -32.820 -7.727 1.00 16.31 C ATOM 413 O TYR A 57 25.974 -33.029 -8.489 1.00 17.50 O ATOM 414 CB TYR A 57 25.166 -32.866 -5.231 1.00 15.63 C ATOM 415 CG TYR A 57 26.535 -32.238 -5.366 1.00 16.27 C ATOM 416 CD1 TYR A 57 26.695 -30.945 -5.830 1.00 17.49 C ATOM 417 CD2 TYR A 57 27.658 -32.944 -5.017 1.00 16.58 C ATOM 418 CE1 TYR A 57 27.950 -30.385 -5.983 1.00 18.59 C ATOM 419 CE2 TYR A 57 28.924 -32.401 -5.159 1.00 17.46 C ATOM 420 CZ TYR A 57 29.068 -31.135 -5.646 1.00 18.19 C ATOM 421 OH TYR A 57 30.317 -30.581 -5.767 1.00 20.78 O ATOM 422 HH TYR A 57 30.236 -29.665 -6.134 1.00 0.00 H ATOM 423 H TYR A 57 26.340 -34.994 -7.055 1.00 0.00 H ATOM 424 N LYS A 58 24.125 -31.862 -7.920 1.00 15.60 N ATOM 425 CA LYS A 58 24.343 -30.773 -8.854 1.00 16.95 C ATOM 426 C LYS A 58 24.029 -29.489 -8.086 1.00 18.68 C ATOM 427 O LYS A 58 23.068 -29.431 -7.310 1.00 18.80 O ATOM 428 CB LYS A 58 23.416 -30.903 -10.049 1.00 17.47 C ATOM 429 CG LYS A 58 23.689 -32.098 -10.949 1.00 18.04 C ATOM 430 CD LYS A 58 22.674 -32.180 -12.106 1.00 18.59 C ATOM 431 CE LYS A 58 22.949 -33.435 -12.921 1.00 19.52 C ATOM 432 NZ LYS A 58 22.262 -33.374 -14.235 1.00 20.20 N ATOM 433 HZ1 LYS A 58 21.236 -33.290 -14.085 1.00 0.00 H ATOM 434 HZ2 LYS A 58 22.605 -32.548 -14.766 1.00 0.00 H ATOM 435 HZ3 LYS A 58 22.465 -34.241 -14.772 1.00 0.00 H ATOM 436 H LYS A 58 23.236 -31.885 -7.381 1.00 0.00 H ATOM 437 N GLY A 59 24.829 -28.463 -8.311 1.00 18.00 N ATOM 438 CA GLY A 59 24.673 -27.210 -7.594 1.00 18.72 C ATOM 439 C GLY A 59 24.883 -26.024 -8.505 1.00 19.20 C ATOM 440 O GLY A 59 25.619 -26.091 -9.510 1.00 17.91 O ATOM 441 H GLY A 59 25.587 -28.554 -9.017 1.00 0.00 H ATOM 442 N LYS A 60 24.211 -24.928 -8.174 1.00 19.52 N ATOM 443 CA LYS A 60 24.377 -23.702 -8.926 1.00 21.38 C ATOM 444 C LYS A 60 24.013 -22.471 -8.114 1.00 22.41 C ATOM 445 O LYS A 60 23.232 -22.542 -7.163 1.00 21.59 O ATOM 446 CB LYS A 60 23.518 -23.748 -10.184 1.00 21.29 C ATOM 447 CG LYS A 60 22.036 -23.887 -9.914 1.00 23.31 C ATOM 448 CD LYS A 60 21.259 -23.821 -11.208 1.00 26.00 C ATOM 449 CE LYS A 60 19.767 -23.670 -10.937 1.00 28.76 C ATOM 450 NZ LYS A 60 19.037 -23.644 -12.239 1.00 29.55 N ATOM 451 HZ1 LYS A 60 19.374 -22.841 -12.808 1.00 0.00 H ATOM 452 HZ2 LYS A 60 19.213 -24.532 -12.751 1.00 0.00 H ATOM 453 HZ3 LYS A 60 18.017 -23.541 -12.061 1.00 0.00 H ATOM 454 H LYS A 60 23.558 -24.950 -7.365 1.00 0.00 H ATOM 455 N LEU A 61 24.586 -21.327 -8.487 1.00 23.49 N ATOM 456 CA LEU A 61 24.127 -20.076 -7.922 1.00 27.91 C ATOM 457 C LEU A 61 22.699 -19.930 -8.412 1.00 30.16 C ATOM 458 O LEU A 61 22.392 -20.339 -9.533 1.00 28.81 O ATOM 459 CB LEU A 61 24.995 -18.899 -8.384 1.00 26.79 C ATOM 460 CG LEU A 61 26.493 -19.064 -8.107 1.00 26.41 C ATOM 461 CD1 LEU A 61 27.274 -17.886 -8.668 1.00 27.58 C ATOM 462 CD2 LEU A 61 26.730 -19.228 -6.613 1.00 25.78 C ATOM 463 H LEU A 61 25.360 -21.333 -9.181 1.00 0.00 H ATOM 464 N SER A 62 21.830 -19.351 -7.593 1.00 33.90 N ATOM 465 CA SER A 62 20.407 -19.293 -7.937 1.00 40.11 C ATOM 466 C SER A 62 20.193 -18.573 -9.268 1.00 45.14 C ATOM 467 O SER A 62 19.454 -19.052 -10.134 1.00 47.74 O ATOM 468 CB SER A 62 19.583 -18.633 -6.819 1.00 41.39 C ATOM 469 OG SER A 62 20.098 -17.354 -6.496 1.00 43.09 O ATOM 470 HG SER A 62 21.035 -17.445 -6.189 1.00 0.00 H ATOM 471 H SER A 62 22.162 -18.935 -6.699 1.00 0.00 H ATOM 472 N ASN A 63 20.864 -17.440 -9.437 1.00 49.33 N ATOM 473 CA ASN A 63 20.780 -16.688 -10.690 1.00 52.21 C ATOM 474 C ASN A 63 21.383 -17.435 -11.892 1.00 52.89 C ATOM 475 O ASN A 63 20.991 -17.180 -13.031 1.00 55.01 O ATOM 476 CB ASN A 63 21.423 -15.308 -10.535 1.00 51.76 C ATOM 477 CG ASN A 63 22.917 -15.381 -10.279 1.00 52.75 C ATOM 478 OD1 ASN A 63 23.577 -16.361 -10.627 1.00 53.30 O ATOM 479 ND2 ASN A 63 23.460 -14.335 -9.664 1.00 54.85 N ATOM 480 HD22 ASN A 63 22.865 -13.528 -9.387 1.00 0.00 H ATOM 481 HD21 ASN A 63 24.480 -14.324 -9.459 1.00 0.00 H ATOM 482 H ASN A 63 21.460 -17.080 -8.665 1.00 0.00 H ATOM 483 N GLY A 64 22.341 -18.332 -11.633 1.00 53.18 N ATOM 484 CA GLY A 64 22.847 -19.268 -12.651 1.00 50.66 C ATOM 485 C GLY A 64 24.314 -19.152 -13.043 1.00 49.19 C ATOM 486 O GLY A 64 24.812 -19.964 -13.835 1.00 47.65 O ATOM 487 H GLY A 64 22.744 -18.370 -10.675 1.00 0.00 H ATOM 488 N LYS A 65 25.022 -18.173 -12.483 1.00 46.39 N ATOM 489 CA LYS A 65 26.394 -17.847 -12.924 1.00 43.13 C ATOM 490 C LYS A 65 27.428 -18.997 -12.890 1.00 40.20 C ATOM 491 O LYS A 65 28.403 -18.977 -13.651 1.00 40.05 O ATOM 492 CB LYS A 65 26.935 -16.663 -12.112 1.00 45.97 C ATOM 493 H LYS A 65 24.596 -17.621 -11.711 1.00 0.00 H ATOM 494 N LYS A 66 27.225 -19.977 -12.010 1.00 32.92 N ATOM 495 CA LYS A 66 28.175 -21.066 -11.810 1.00 30.23 C ATOM 496 C LYS A 66 27.378 -22.342 -11.607 1.00 26.72 C ATOM 497 O LYS A 66 26.269 -22.297 -11.083 1.00 27.62 O ATOM 498 CB LYS A 66 29.033 -20.838 -10.569 1.00 32.33 C ATOM 499 CG LYS A 66 29.588 -19.431 -10.395 1.00 37.31 C ATOM 500 CD LYS A 66 30.954 -19.223 -11.022 1.00 40.73 C ATOM 501 CE LYS A 66 31.601 -17.930 -10.515 1.00 43.76 C ATOM 502 NZ LYS A 66 30.660 -16.783 -10.320 1.00 45.42 N ATOM 503 HZ1 LYS A 66 30.204 -16.552 -11.226 1.00 0.00 H ATOM 504 HZ2 LYS A 66 29.935 -17.046 -9.623 1.00 0.00 H ATOM 505 HZ3 LYS A 66 31.189 -15.956 -9.976 1.00 0.00 H ATOM 506 H LYS A 66 26.354 -19.965 -11.443 1.00 0.00 H ATOM 507 N PHE A 67 27.960 -23.452 -12.031 1.00 22.94 N ATOM 508 CA PHE A 67 27.349 -24.779 -11.941 1.00 21.85 C ATOM 509 C PHE A 67 28.421 -25.780 -11.528 1.00 21.51 C ATOM 510 O PHE A 67 29.580 -25.685 -11.971 1.00 22.62 O ATOM 511 CB PHE A 67 26.785 -25.147 -13.314 1.00 20.35 C ATOM 512 CG PHE A 67 26.048 -26.442 -13.336 1.00 21.82 C ATOM 513 CD1 PHE A 67 26.702 -27.609 -13.652 1.00 21.07 C ATOM 514 CD2 PHE A 67 24.696 -26.480 -13.032 1.00 21.97 C ATOM 515 CE1 PHE A 67 26.045 -28.823 -13.658 1.00 23.26 C ATOM 516 CE2 PHE A 67 24.011 -27.688 -13.029 1.00 22.99 C ATOM 517 CZ PHE A 67 24.690 -28.864 -13.343 1.00 22.78 C ATOM 518 H PHE A 67 28.908 -23.377 -12.453 1.00 0.00 H ATOM 519 N ASP A 68 28.055 -26.771 -10.722 1.00 19.57 N ATOM 520 CA ASP A 68 28.980 -27.758 -10.244 1.00 20.48 C ATOM 521 C ASP A 68 28.229 -29.083 -10.148 1.00 20.82 C ATOM 522 O ASP A 68 27.046 -29.096 -9.757 1.00 19.87 O ATOM 523 CB ASP A 68 29.460 -27.317 -8.853 1.00 21.53 C ATOM 524 CG ASP A 68 30.340 -28.329 -8.174 1.00 22.29 C ATOM 525 OD1 ASP A 68 31.120 -29.042 -8.840 1.00 22.44 O ATOM 526 OD2 ASP A 68 30.264 -28.398 -6.929 1.00 21.41 O ATOM 527 H ASP A 68 27.060 -26.834 -10.426 1.00 0.00 H ATOM 528 N SER A 69 28.913 -30.176 -10.498 1.00 19.86 N ATOM 529 CA SER A 69 28.286 -31.503 -10.563 1.00 22.00 C ATOM 530 C SER A 69 29.295 -32.621 -10.283 1.00 21.26 C ATOM 531 O SER A 69 30.341 -32.732 -10.947 1.00 22.21 O ATOM 532 CB SER A 69 27.646 -31.705 -11.947 1.00 21.32 C ATOM 533 OG SER A 69 27.312 -33.071 -12.188 1.00 24.07 O ATOM 534 HG SER A 69 26.904 -33.156 -13.086 1.00 0.00 H ATOM 535 H SER A 69 29.922 -30.084 -10.732 1.00 0.00 H ATOM 536 N SER A 70 28.975 -33.463 -9.294 1.00 19.93 N ATOM 537 CA SER A 70 29.812 -34.594 -8.962 1.00 19.32 C ATOM 538 C SER A 70 29.813 -35.630 -10.131 1.00 21.29 C ATOM 539 O SER A 70 30.792 -36.343 -10.363 1.00 19.08 O ATOM 540 CB SER A 70 29.312 -35.209 -7.664 1.00 18.84 C ATOM 541 OG SER A 70 27.951 -35.665 -7.781 1.00 17.45 O ATOM 542 HG SER A 70 27.366 -34.900 -8.010 1.00 0.00 H ATOM 543 H SER A 70 28.103 -33.300 -8.751 1.00 0.00 H ATOM 544 N HIS A 71 28.694 -35.694 -10.850 1.00 23.24 N ATOM 545 CA HIS A 71 28.538 -36.602 -11.996 1.00 24.44 C ATOM 546 C HIS A 71 29.569 -36.275 -13.066 1.00 25.18 C ATOM 547 O HIS A 71 30.173 -37.180 -13.657 1.00 24.46 O ATOM 548 CB HIS A 71 27.151 -36.479 -12.652 1.00 24.75 C ATOM 549 CG HIS A 71 25.990 -36.598 -11.713 1.00 27.48 C ATOM 550 ND1 HIS A 71 25.377 -37.801 -11.434 1.00 29.38 N ATOM 551 CD2 HIS A 71 25.300 -35.657 -11.024 1.00 30.89 C ATOM 552 CE1 HIS A 71 24.369 -37.601 -10.603 1.00 31.03 C ATOM 553 NE2 HIS A 71 24.299 -36.309 -10.337 1.00 31.66 N ATOM 554 H HIS A 71 27.898 -35.077 -10.590 1.00 0.00 H ATOM 555 N ASP A 72 29.809 -34.982 -13.292 1.00 25.60 N ATOM 556 CA ASP A 72 30.801 -34.571 -14.295 1.00 25.35 C ATOM 557 C ASP A 72 32.204 -35.027 -13.913 1.00 27.89 C ATOM 558 O ASP A 72 33.044 -35.201 -14.792 1.00 32.25 O ATOM 559 CB ASP A 72 30.778 -33.067 -14.497 1.00 24.52 C ATOM 560 H ASP A 72 29.290 -34.259 -12.754 1.00 0.00 H ATOM 561 N ARG A 73 32.459 -35.221 -12.614 1.00 27.97 N ATOM 562 CA ARG A 73 33.745 -35.773 -12.145 1.00 27.34 C ATOM 563 C ARG A 73 33.784 -37.312 -12.083 1.00 29.01 C ATOM 564 O ARG A 73 34.843 -37.909 -11.785 1.00 26.37 O ATOM 565 CB ARG A 73 34.067 -35.237 -10.756 1.00 27.02 C ATOM 566 CG ARG A 73 34.466 -33.774 -10.727 1.00 26.84 C ATOM 567 CD ARG A 73 34.878 -33.364 -9.328 1.00 26.37 C ATOM 568 NE ARG A 73 33.786 -33.415 -8.352 1.00 24.29 N ATOM 569 CZ ARG A 73 32.914 -32.433 -8.099 1.00 24.05 C ATOM 570 NH1 ARG A 73 32.947 -31.271 -8.754 1.00 23.41 N ATOM 571 NH2 ARG A 73 31.973 -32.631 -7.172 1.00 23.78 N ATOM 572 HE ARG A 73 33.680 -34.294 -7.807 1.00 0.00 H ATOM 573 HH12 ARG A 73 32.253 -30.529 -8.532 1.00 0.00 H ATOM 574 HH11 ARG A 73 33.667 -31.107 -9.487 1.00 0.00 H ATOM 575 HH22 ARG A 73 31.285 -31.880 -6.960 1.00 0.00 H ATOM 576 HH21 ARG A 73 31.928 -33.536 -6.662 1.00 0.00 H ATOM 577 H ARG A 73 31.730 -34.976 -11.914 1.00 0.00 H ATOM 578 N ASN A 74 32.637 -37.953 -12.328 1.00 27.48 N ATOM 579 CA ASN A 74 32.508 -39.392 -12.198 1.00 28.26 C ATOM 580 C ASN A 74 32.901 -39.875 -10.798 1.00 28.72 C ATOM 581 O ASN A 74 33.440 -40.954 -10.657 1.00 26.18 O ATOM 582 CB ASN A 74 33.340 -40.112 -13.276 1.00 29.58 C ATOM 583 H ASN A 74 31.807 -37.400 -12.623 1.00 0.00 H ATOM 584 N GLU A 75 32.638 -39.066 -9.767 1.00 27.13 N ATOM 585 CA GLU A 75 33.055 -39.425 -8.396 1.00 26.46 C ATOM 586 C GLU A 75 31.978 -38.976 -7.422 1.00 25.02 C ATOM 587 O GLU A 75 31.627 -37.805 -7.430 1.00 23.46 O ATOM 588 CB GLU A 75 34.386 -38.768 -8.029 1.00 27.91 C ATOM 589 CG GLU A 75 35.640 -39.497 -8.530 1.00 29.65 C ATOM 590 CD GLU A 75 36.035 -40.741 -7.723 1.00 32.07 C ATOM 591 OE1 GLU A 75 35.409 -41.085 -6.688 1.00 34.79 O ATOM 592 OE2 GLU A 75 37.038 -41.385 -8.116 1.00 37.14 O ATOM 593 H GLU A 75 32.133 -38.172 -9.932 1.00 0.00 H ATOM 594 N PRO A 76 31.439 -39.908 -6.611 1.00 24.46 N ATOM 595 CA PRO A 76 30.514 -39.473 -5.550 1.00 23.45 C ATOM 596 C PRO A 76 31.222 -38.557 -4.594 1.00 23.94 C ATOM 597 O PRO A 76 32.438 -38.731 -4.349 1.00 24.43 O ATOM 598 CB PRO A 76 30.143 -40.785 -4.829 1.00 24.31 C ATOM 599 CG PRO A 76 30.409 -41.858 -5.832 1.00 25.18 C ATOM 600 CD PRO A 76 31.621 -41.371 -6.592 1.00 26.61 C ATOM 601 N PHE A 77 30.482 -37.583 -4.078 1.00 21.71 N ATOM 602 CA PHE A 77 30.978 -36.673 -3.076 1.00 19.88 C ATOM 603 C PHE A 77 30.742 -37.283 -1.682 1.00 22.20 C ATOM 604 O PHE A 77 29.631 -37.710 -1.362 1.00 22.30 O ATOM 605 CB PHE A 77 30.335 -35.289 -3.231 1.00 20.28 C ATOM 606 CG PHE A 77 30.725 -34.328 -2.145 1.00 20.38 C ATOM 607 CD1 PHE A 77 32.052 -33.932 -1.990 1.00 24.33 C ATOM 608 CD2 PHE A 77 29.787 -33.852 -1.254 1.00 21.38 C ATOM 609 CE1 PHE A 77 32.424 -33.063 -0.978 1.00 24.77 C ATOM 610 CE2 PHE A 77 30.143 -32.965 -0.243 1.00 22.97 C ATOM 611 CZ PHE A 77 31.464 -32.576 -0.094 1.00 23.47 C ATOM 612 H PHE A 77 29.503 -37.472 -4.411 1.00 0.00 H ATOM 613 N VAL A 78 31.804 -37.367 -0.880 1.00 21.05 N ATOM 614 CA VAL A 78 31.728 -37.973 0.450 1.00 22.12 C ATOM 615 C VAL A 78 32.028 -36.935 1.535 1.00 20.10 C ATOM 616 O VAL A 78 32.885 -36.053 1.378 1.00 19.16 O ATOM 617 CB VAL A 78 32.699 -39.170 0.553 1.00 21.32 C ATOM 618 CG1 VAL A 78 32.631 -39.825 1.914 1.00 22.00 C ATOM 619 CG2 VAL A 78 32.421 -40.174 -0.572 1.00 21.39 C ATOM 620 H VAL A 78 32.715 -36.990 -1.210 1.00 0.00 H ATOM 621 N PHE A 79 31.287 -36.994 2.631 1.00 20.91 N ATOM 622 CA PHE A 79 31.613 -36.173 3.791 1.00 20.81 C ATOM 623 C PHE A 79 31.071 -36.771 5.081 1.00 20.52 C ATOM 624 O PHE A 79 30.284 -37.713 5.037 1.00 21.06 O ATOM 625 CB PHE A 79 31.138 -34.730 3.632 1.00 20.81 C ATOM 626 CG PHE A 79 29.631 -34.538 3.696 1.00 21.26 C ATOM 627 CD1 PHE A 79 29.040 -33.988 4.823 1.00 20.53 C ATOM 628 CD2 PHE A 79 28.821 -34.865 2.611 1.00 20.58 C ATOM 629 CE1 PHE A 79 27.669 -33.779 4.884 1.00 21.10 C ATOM 630 CE2 PHE A 79 27.448 -34.634 2.651 1.00 19.89 C ATOM 631 CZ PHE A 79 26.870 -34.121 3.795 1.00 20.08 C ATOM 632 H PHE A 79 30.466 -37.631 2.665 1.00 0.00 H ATOM 633 N SER A 80 31.544 -36.236 6.208 1.00 21.46 N ATOM 634 CA SER A 80 31.046 -36.627 7.533 1.00 22.08 C ATOM 635 C SER A 80 29.975 -35.661 8.007 1.00 20.39 C ATOM 636 O SER A 80 30.214 -34.441 8.141 1.00 19.17 O ATOM 637 CB SER A 80 32.168 -36.710 8.573 1.00 23.56 C ATOM 638 OG SER A 80 33.164 -37.661 8.194 1.00 27.06 O ATOM 639 HG SER A 80 32.749 -38.556 8.108 1.00 0.00 H ATOM 640 H SER A 80 32.292 -35.516 6.146 1.00 0.00 H ATOM 641 N LEU A 81 28.802 -36.216 8.309 1.00 19.46 N ATOM 642 CA LEU A 81 27.647 -35.401 8.596 1.00 19.28 C ATOM 643 C LEU A 81 27.744 -34.645 9.903 1.00 20.66 C ATOM 644 O LEU A 81 28.127 -35.217 10.914 1.00 20.46 O ATOM 645 CB LEU A 81 26.426 -36.302 8.649 1.00 18.22 C ATOM 646 CG LEU A 81 25.097 -35.575 8.732 1.00 18.30 C ATOM 647 CD1 LEU A 81 24.770 -34.971 7.397 1.00 18.37 C ATOM 648 CD2 LEU A 81 23.989 -36.496 9.166 1.00 19.36 C ATOM 649 H LEU A 81 28.718 -37.252 8.338 1.00 0.00 H ATOM 650 N GLY A 82 27.375 -33.373 9.872 1.00 21.80 N ATOM 651 CA GLY A 82 27.128 -32.626 11.095 1.00 23.71 C ATOM 652 C GLY A 82 28.415 -32.168 11.748 1.00 25.40 C ATOM 653 O GLY A 82 28.448 -31.922 12.970 1.00 27.62 O ATOM 654 H GLY A 82 27.260 -32.899 8.954 1.00 0.00 H ATOM 655 N LYS A 83 29.471 -32.071 10.947 1.00 25.12 N ATOM 656 CA LYS A 83 30.790 -31.691 11.459 1.00 27.48 C ATOM 657 C LYS A 83 31.293 -30.369 10.894 1.00 27.52 C ATOM 658 O LYS A 83 32.402 -29.978 11.204 1.00 26.38 O ATOM 659 CB LYS A 83 31.820 -32.781 11.154 1.00 27.38 C ATOM 660 CG LYS A 83 31.552 -34.135 11.812 1.00 29.93 C ATOM 661 CD LYS A 83 31.504 -34.052 13.343 1.00 33.32 C ATOM 662 CE LYS A 83 31.732 -35.414 13.991 1.00 35.41 C ATOM 663 NZ LYS A 83 31.428 -35.445 15.458 1.00 37.28 N ATOM 664 HZ1 LYS A 83 32.037 -34.762 15.952 1.00 0.00 H ATOM 665 HZ2 LYS A 83 30.430 -35.194 15.609 1.00 0.00 H ATOM 666 HZ3 LYS A 83 31.606 -36.401 15.828 1.00 0.00 H ATOM 667 H LYS A 83 29.358 -32.270 9.932 1.00 0.00 H ATOM 668 N GLY A 84 30.494 -29.687 10.074 1.00 25.61 N ATOM 669 CA GLY A 84 30.933 -28.436 9.452 1.00 26.83 C ATOM 670 C GLY A 84 31.938 -28.620 8.316 1.00 28.67 C ATOM 671 O GLY A 84 32.605 -27.644 7.918 1.00 29.18 O ATOM 672 H GLY A 84 29.541 -30.050 9.872 1.00 0.00 H ATOM 673 N GLN A 85 32.034 -29.846 7.791 1.00 27.83 N ATOM 674 CA GLN A 85 32.836 -30.168 6.602 1.00 28.20 C ATOM 675 C GLN A 85 32.177 -29.639 5.325 1.00 25.95 C ATOM 676 O GLN A 85 32.804 -29.631 4.257 1.00 26.86 O ATOM 677 CB GLN A 85 33.012 -31.683 6.434 1.00 31.59 C ATOM 678 CG GLN A 85 33.749 -32.390 7.561 1.00 33.60 C ATOM 679 CD GLN A 85 34.096 -33.838 7.239 1.00 35.29 C ATOM 680 OE1 GLN A 85 33.732 -34.385 6.184 1.00 31.59 O ATOM 681 NE2 GLN A 85 34.840 -34.471 8.152 1.00 38.05 N ATOM 682 HE22 GLN A 85 35.125 -33.979 9.023 1.00 0.00 H ATOM 683 HE21 GLN A 85 35.134 -35.456 7.991 1.00 0.00 H ATOM 684 H GLN A 85 31.510 -30.618 8.251 1.00 0.00 H ATOM 685 N VAL A 86 30.908 -29.246 5.436 1.00 22.81 N ATOM 686 CA VAL A 86 30.110 -28.685 4.327 1.00 21.30 C ATOM 687 C VAL A 86 29.314 -27.488 4.821 1.00 20.14 C ATOM 688 O VAL A 86 29.170 -27.292 6.041 1.00 20.56 O ATOM 689 CB VAL A 86 29.130 -29.735 3.754 1.00 19.89 C ATOM 690 CG1 VAL A 86 29.901 -30.794 3.019 1.00 20.40 C ATOM 691 CG2 VAL A 86 28.302 -30.377 4.860 1.00 19.89 C ATOM 692 H VAL A 86 30.450 -29.341 6.365 1.00 0.00 H ATOM 693 N ILE A 87 28.724 -26.729 3.901 1.00 18.91 N ATOM 694 CA ILE A 87 27.919 -25.567 4.262 1.00 19.30 C ATOM 695 C ILE A 87 26.781 -26.026 5.171 1.00 19.32 C ATOM 696 O ILE A 87 26.350 -27.172 5.062 1.00 17.10 O ATOM 697 CB ILE A 87 27.406 -24.761 3.053 1.00 19.18 C ATOM 698 CG1 ILE A 87 26.607 -25.639 2.076 1.00 18.18 C ATOM 699 CG2 ILE A 87 28.558 -24.088 2.315 1.00 20.20 C ATOM 700 CD1 ILE A 87 25.804 -24.861 1.076 1.00 17.79 C ATOM 701 H ILE A 87 28.840 -26.971 2.896 1.00 0.00 H ATOM 702 N LYS A 88 26.345 -25.160 6.079 1.00 20.05 N ATOM 703 CA LYS A 88 25.298 -25.515 7.064 1.00 20.87 C ATOM 704 C LYS A 88 24.041 -26.135 6.412 1.00 19.32 C ATOM 705 O LYS A 88 23.489 -27.115 6.899 1.00 19.93 O ATOM 706 CB LYS A 88 24.927 -24.303 7.926 1.00 23.60 C ATOM 707 CG LYS A 88 26.045 -23.849 8.859 1.00 27.21 C ATOM 708 CD LYS A 88 25.580 -22.760 9.824 1.00 30.65 C ATOM 709 CE LYS A 88 26.775 -22.161 10.567 1.00 33.04 C ATOM 710 NZ LYS A 88 26.566 -20.778 11.092 1.00 35.78 N ATOM 711 HZ1 LYS A 88 26.355 -20.136 10.301 1.00 0.00 H ATOM 712 HZ2 LYS A 88 25.770 -20.779 11.761 1.00 0.00 H ATOM 713 HZ3 LYS A 88 27.428 -20.459 11.578 1.00 0.00 H ATOM 714 H LYS A 88 26.752 -24.203 6.099 1.00 0.00 H ATOM 715 N ALA A 89 23.607 -25.571 5.296 1.00 18.06 N ATOM 716 CA ALA A 89 22.435 -26.057 4.569 1.00 18.03 C ATOM 717 C ALA A 89 22.494 -27.557 4.237 1.00 17.81 C ATOM 718 O ALA A 89 21.461 -28.243 4.239 1.00 17.23 O ATOM 719 CB ALA A 89 22.238 -25.248 3.307 1.00 17.87 C ATOM 720 H ALA A 89 24.121 -24.748 4.921 1.00 0.00 H ATOM 721 N TRP A 90 23.703 -28.064 3.985 1.00 17.09 N ATOM 722 CA TRP A 90 23.915 -29.481 3.678 1.00 16.79 C ATOM 723 C TRP A 90 23.874 -30.317 4.951 1.00 17.52 C ATOM 724 O TRP A 90 23.273 -31.415 4.991 1.00 17.50 O ATOM 725 CB TRP A 90 25.256 -29.674 2.946 1.00 16.32 C ATOM 726 CG TRP A 90 25.147 -29.632 1.474 1.00 15.18 C ATOM 727 CD1 TRP A 90 24.625 -28.629 0.731 1.00 15.43 C ATOM 728 CD2 TRP A 90 25.586 -30.636 0.543 1.00 14.04 C ATOM 729 NE1 TRP A 90 24.695 -28.933 -0.602 1.00 15.71 N ATOM 730 CE2 TRP A 90 25.278 -30.160 -0.754 1.00 14.13 C ATOM 731 CE3 TRP A 90 26.164 -31.891 0.677 1.00 13.40 C ATOM 732 CZ2 TRP A 90 25.527 -30.895 -1.899 1.00 13.35 C ATOM 733 CZ3 TRP A 90 26.453 -32.605 -0.447 1.00 14.16 C ATOM 734 CH2 TRP A 90 26.121 -32.121 -1.735 1.00 13.21 C ATOM 735 HE1 TRP A 90 24.358 -28.326 -1.377 1.00 0.00 H ATOM 736 H TRP A 90 24.526 -27.429 4.007 1.00 0.00 H ATOM 737 N ASP A 91 24.560 -29.850 5.989 1.00 16.85 N ATOM 738 CA ASP A 91 24.507 -30.558 7.270 1.00 17.86 C ATOM 739 C ASP A 91 23.064 -30.696 7.733 1.00 18.16 C ATOM 740 O ASP A 91 22.656 -31.769 8.200 1.00 19.95 O ATOM 741 CB ASP A 91 25.336 -29.845 8.335 1.00 18.98 C ATOM 742 CG ASP A 91 26.775 -30.278 8.367 1.00 18.69 C ATOM 743 OD1 ASP A 91 27.142 -31.341 7.798 1.00 20.50 O ATOM 744 OD2 ASP A 91 27.547 -29.554 9.017 1.00 22.16 O ATOM 745 H ASP A 91 25.131 -28.986 5.892 1.00 0.00 H ATOM 746 N ILE A 92 22.279 -29.632 7.589 1.00 17.65 N ATOM 747 CA ILE A 92 20.862 -29.665 7.943 1.00 18.91 C ATOM 748 C ILE A 92 20.101 -30.565 6.969 1.00 17.59 C ATOM 749 O ILE A 92 19.356 -31.441 7.376 1.00 18.52 O ATOM 750 CB ILE A 92 20.234 -28.258 7.921 1.00 20.15 C ATOM 751 CG1 ILE A 92 20.742 -27.410 9.099 1.00 23.01 C ATOM 752 CG2 ILE A 92 18.707 -28.335 7.972 1.00 21.72 C ATOM 753 CD1 ILE A 92 20.494 -25.938 8.870 1.00 23.34 C ATOM 754 H ILE A 92 22.686 -28.751 7.214 1.00 0.00 H ATOM 755 N GLY A 93 20.264 -30.326 5.678 1.00 17.49 N ATOM 756 CA GLY A 93 19.481 -30.992 4.666 1.00 16.51 C ATOM 757 C GLY A 93 19.735 -32.473 4.450 1.00 15.32 C ATOM 758 O GLY A 93 18.773 -33.261 4.357 1.00 15.80 O ATOM 759 H GLY A 93 20.982 -29.634 5.382 1.00 0.00 H ATOM 760 N VAL A 94 21.008 -32.857 4.378 1.00 15.19 N ATOM 761 CA VAL A 94 21.363 -34.245 4.163 1.00 15.42 C ATOM 762 C VAL A 94 20.898 -35.097 5.356 1.00 16.12 C ATOM 763 O VAL A 94 20.519 -36.253 5.162 1.00 14.98 O ATOM 764 CB VAL A 94 22.867 -34.444 3.868 1.00 15.57 C ATOM 765 CG1 VAL A 94 23.199 -35.932 3.764 1.00 17.11 C ATOM 766 CG2 VAL A 94 23.221 -33.753 2.556 1.00 15.45 C ATOM 767 H VAL A 94 21.762 -32.147 4.478 1.00 0.00 H ATOM 768 N ALA A 95 20.902 -34.521 6.568 1.00 16.88 N ATOM 769 CA ALA A 95 20.424 -35.258 7.759 1.00 16.77 C ATOM 770 C ALA A 95 18.979 -35.751 7.626 1.00 16.79 C ATOM 771 O ALA A 95 18.580 -36.622 8.396 1.00 17.85 O ATOM 772 CB ALA A 95 20.560 -34.429 9.015 1.00 16.59 C ATOM 773 H ALA A 95 21.245 -33.545 6.672 1.00 0.00 H ATOM 774 N THR A 96 18.207 -35.123 6.737 1.00 16.68 N ATOM 775 CA THR A 96 16.781 -35.387 6.586 1.00 17.57 C ATOM 776 C THR A 96 16.530 -36.411 5.511 1.00 17.96 C ATOM 777 O THR A 96 15.386 -36.833 5.317 1.00 18.44 O ATOM 778 CB THR A 96 15.955 -34.113 6.234 1.00 17.15 C ATOM 779 OG1 THR A 96 16.196 -33.720 4.864 1.00 16.29 O ATOM 780 CG2 THR A 96 16.205 -32.928 7.154 1.00 17.35 C ATOM 781 HG1 THR A 96 17.159 -33.525 4.742 1.00 0.00 H ATOM 782 H THR A 96 18.645 -34.409 6.120 1.00 0.00 H ATOM 783 N MET A 97 17.584 -36.838 4.796 1.00 17.11 N ATOM 784 CA MET A 97 17.382 -37.728 3.645 1.00 17.02 C ATOM 785 C MET A 97 17.463 -39.213 3.976 1.00 17.76 C ATOM 786 O MET A 97 18.155 -39.645 4.883 1.00 16.66 O ATOM 787 CB MET A 97 18.403 -37.378 2.559 1.00 15.23 C ATOM 788 CG MET A 97 18.223 -35.975 2.027 1.00 15.83 C ATOM 789 SD MET A 97 19.486 -35.612 0.798 1.00 16.12 S ATOM 790 CE MET A 97 18.707 -36.449 -0.583 1.00 15.21 C ATOM 791 H MET A 97 18.545 -36.538 5.058 1.00 0.00 H ATOM 792 N LYS A 98 16.685 -39.991 3.223 1.00 19.55 N ATOM 793 CA LYS A 98 16.702 -41.439 3.288 1.00 21.50 C ATOM 794 C LYS A 98 17.572 -41.909 2.139 1.00 21.39 C ATOM 795 O LYS A 98 17.780 -41.164 1.169 1.00 19.75 O ATOM 796 CB LYS A 98 15.286 -42.000 3.141 1.00 23.10 C ATOM 797 CG LYS A 98 14.414 -41.676 4.341 1.00 25.67 C ATOM 798 CD LYS A 98 12.939 -41.979 4.111 1.00 29.26 C ATOM 799 CE LYS A 98 12.093 -41.452 5.264 1.00 30.02 C ATOM 800 NZ LYS A 98 11.858 -39.980 5.169 1.00 31.28 N ATOM 801 HZ1 LYS A 98 12.771 -39.483 5.186 1.00 0.00 H ATOM 802 HZ2 LYS A 98 11.361 -39.766 4.281 1.00 0.00 H ATOM 803 HZ3 LYS A 98 11.278 -39.670 5.975 1.00 0.00 H ATOM 804 H LYS A 98 16.032 -39.535 2.554 1.00 0.00 H ATOM 805 N LYS A 99 18.063 -43.142 2.250 1.00 21.99 N ATOM 806 CA LYS A 99 18.909 -43.735 1.220 1.00 23.01 C ATOM 807 C LYS A 99 18.114 -43.856 -0.071 1.00 20.60 C ATOM 808 O LYS A 99 16.980 -44.369 -0.081 1.00 19.74 O ATOM 809 CB LYS A 99 19.414 -45.130 1.633 1.00 25.13 C ATOM 810 CG LYS A 99 20.257 -45.187 2.893 1.00 28.29 C ATOM 811 CD LYS A 99 21.135 -46.439 2.931 1.00 31.64 C ATOM 812 CE LYS A 99 21.837 -46.614 4.271 1.00 32.44 C ATOM 813 NZ LYS A 99 22.548 -47.920 4.327 1.00 35.49 N ATOM 814 HZ1 LYS A 99 21.862 -48.692 4.203 1.00 0.00 H ATOM 815 HZ2 LYS A 99 23.258 -47.960 3.568 1.00 0.00 H ATOM 816 HZ3 LYS A 99 23.019 -48.018 5.249 1.00 0.00 H ATOM 817 H LYS A 99 17.836 -43.700 3.098 1.00 0.00 H ATOM 818 N GLY A 100 18.694 -43.354 -1.162 1.00 20.52 N ATOM 819 CA GLY A 100 18.049 -43.331 -2.471 1.00 19.26 C ATOM 820 C GLY A 100 17.181 -42.122 -2.753 1.00 18.18 C ATOM 821 O GLY A 100 16.689 -41.933 -3.879 1.00 20.99 O ATOM 822 H GLY A 100 19.653 -42.960 -1.076 1.00 0.00 H ATOM 823 N GLU A 101 16.971 -41.271 -1.744 1.00 18.12 N ATOM 824 CA GLU A 101 16.201 -40.077 -1.942 1.00 16.79 C ATOM 825 C GLU A 101 16.942 -39.090 -2.803 1.00 17.44 C ATOM 826 O GLU A 101 18.180 -39.006 -2.762 1.00 18.24 O ATOM 827 CB GLU A 101 15.896 -39.442 -0.593 1.00 15.74 C ATOM 828 CG GLU A 101 15.078 -38.179 -0.631 1.00 16.15 C ATOM 829 CD GLU A 101 14.896 -37.608 0.748 1.00 16.57 C ATOM 830 OE1 GLU A 101 14.621 -38.417 1.633 1.00 19.46 O ATOM 831 OE2 GLU A 101 15.015 -36.370 0.932 1.00 18.39 O ATOM 832 H GLU A 101 17.370 -41.477 -0.806 1.00 0.00 H ATOM 833 N ILE A 102 16.179 -38.361 -3.600 1.00 17.81 N ATOM 834 CA ILE A 102 16.690 -37.182 -4.268 1.00 17.54 C ATOM 835 C ILE A 102 15.870 -36.009 -3.821 1.00 18.26 C ATOM 836 O ILE A 102 14.635 -36.088 -3.843 1.00 19.55 O ATOM 837 CB ILE A 102 16.649 -37.277 -5.810 1.00 17.73 C ATOM 838 CG1 ILE A 102 17.454 -38.496 -6.269 1.00 18.04 C ATOM 839 CG2 ILE A 102 17.200 -35.979 -6.394 1.00 18.19 C ATOM 840 CD1 ILE A 102 17.464 -38.758 -7.757 1.00 19.24 C ATOM 841 H ILE A 102 15.189 -38.641 -3.751 1.00 0.00 H ATOM 842 N CYS A 103 16.529 -34.927 -3.412 1.00 17.35 N ATOM 843 CA CYS A 103 15.808 -33.719 -3.009 1.00 16.96 C ATOM 844 C CYS A 103 16.399 -32.531 -3.730 1.00 17.23 C ATOM 845 O CYS A 103 17.523 -32.614 -4.289 1.00 15.61 O ATOM 846 CB CYS A 103 15.831 -33.520 -1.489 1.00 17.74 C ATOM 847 SG CYS A 103 17.377 -32.855 -0.807 1.00 19.54 S ATOM 848 H CYS A 103 17.568 -34.940 -3.378 1.00 0.00 H ATOM 849 N HIS A 104 15.635 -31.446 -3.729 1.00 16.81 N ATOM 850 CA HIS A 104 16.119 -30.120 -4.116 1.00 17.48 C ATOM 851 C HIS A 104 16.162 -29.251 -2.876 1.00 18.43 C ATOM 852 O HIS A 104 15.209 -29.271 -2.056 1.00 19.39 O ATOM 853 CB HIS A 104 15.209 -29.491 -5.164 1.00 18.10 C ATOM 854 CG HIS A 104 15.376 -30.083 -6.523 1.00 18.66 C ATOM 855 ND1 HIS A 104 14.550 -29.784 -7.585 1.00 19.88 N ATOM 856 CD2 HIS A 104 16.284 -30.972 -6.990 1.00 18.85 C ATOM 857 CE1 HIS A 104 14.958 -30.436 -8.651 1.00 18.69 C ATOM 858 NE2 HIS A 104 16.000 -31.174 -8.317 1.00 20.30 N ATOM 859 H HIS A 104 14.641 -31.543 -3.438 1.00 0.00 H ATOM 860 N LEU A 105 17.252 -28.488 -2.739 1.00 18.32 N ATOM 861 CA LEU A 105 17.480 -27.593 -1.609 1.00 19.22 C ATOM 862 C LEU A 105 17.783 -26.177 -2.089 1.00 20.22 C ATOM 863 O LEU A 105 18.686 -25.991 -2.904 1.00 20.53 O ATOM 864 CB LEU A 105 18.697 -28.083 -0.835 1.00 20.94 C ATOM 865 CG LEU A 105 18.632 -28.369 0.648 1.00 23.35 C ATOM 866 CD1 LEU A 105 17.471 -29.286 1.031 1.00 21.93 C ATOM 867 CD2 LEU A 105 19.948 -29.015 1.050 1.00 23.08 C ATOM 868 H LEU A 105 17.979 -28.535 -3.481 1.00 0.00 H ATOM 869 N LEU A 106 17.046 -25.188 -1.576 1.00 22.20 N ATOM 870 CA LEU A 106 17.367 -23.768 -1.780 1.00 23.48 C ATOM 871 C LEU A 106 17.988 -23.237 -0.503 1.00 25.06 C ATOM 872 O LEU A 106 17.415 -23.414 0.576 1.00 28.30 O ATOM 873 CB LEU A 106 16.105 -22.982 -2.116 1.00 26.60 C ATOM 874 CG LEU A 106 16.231 -21.577 -2.703 1.00 28.80 C ATOM 875 CD1 LEU A 106 17.299 -21.498 -3.781 1.00 29.29 C ATOM 876 CD2 LEU A 106 14.864 -21.165 -3.251 1.00 28.56 C ATOM 877 H LEU A 106 16.210 -25.433 -1.008 1.00 0.00 H ATOM 878 N CYS A 107 19.136 -22.578 -0.626 1.00 23.36 N ATOM 879 CA CYS A 107 19.992 -22.255 0.523 1.00 23.54 C ATOM 880 C CYS A 107 20.306 -20.767 0.587 1.00 25.39 C ATOM 881 O CYS A 107 21.080 -20.252 -0.223 1.00 23.71 O ATOM 882 CB CYS A 107 21.308 -23.039 0.448 1.00 22.75 C ATOM 883 SG CYS A 107 21.051 -24.815 0.143 1.00 23.13 S ATOM 884 H CYS A 107 19.440 -22.279 -1.574 1.00 0.00 H ATOM 885 N LYS A 108 19.707 -20.082 1.557 1.00 25.84 N ATOM 886 CA LYS A 108 20.013 -18.665 1.784 1.00 25.45 C ATOM 887 C LYS A 108 21.484 -18.480 2.168 1.00 24.95 C ATOM 888 O LYS A 108 22.102 -19.379 2.721 1.00 22.96 O ATOM 889 CB LYS A 108 19.115 -18.097 2.888 1.00 26.68 C ATOM 890 CG LYS A 108 17.665 -17.888 2.487 1.00 31.84 C ATOM 891 CD LYS A 108 16.919 -17.027 3.511 1.00 34.43 C ATOM 892 CE LYS A 108 15.435 -16.891 3.197 1.00 36.34 C ATOM 893 NZ LYS A 108 15.196 -16.247 1.879 1.00 37.58 N ATOM 894 HZ1 LYS A 108 15.615 -15.295 1.878 1.00 0.00 H ATOM 895 HZ2 LYS A 108 15.634 -16.820 1.130 1.00 0.00 H ATOM 896 HZ3 LYS A 108 14.172 -16.176 1.710 1.00 0.00 H ATOM 897 H LYS A 108 19.010 -20.559 2.165 1.00 0.00 H ATOM 898 N PRO A 109 22.048 -17.283 1.910 1.00 24.47 N ATOM 899 CA PRO A 109 23.448 -17.030 2.246 1.00 24.10 C ATOM 900 C PRO A 109 23.889 -17.348 3.698 1.00 22.92 C ATOM 901 O PRO A 109 25.024 -17.771 3.931 1.00 24.19 O ATOM 902 CB PRO A 109 23.629 -15.530 1.909 1.00 24.16 C ATOM 903 CG PRO A 109 22.269 -14.986 1.656 1.00 26.14 C ATOM 904 CD PRO A 109 21.432 -16.148 1.206 1.00 27.04 C ATOM 905 N GLU A 110 22.985 -17.172 4.653 1.00 25.75 N ATOM 906 CA GLU A 110 23.272 -17.394 6.072 1.00 27.04 C ATOM 907 C GLU A 110 23.488 -18.893 6.403 1.00 24.38 C ATOM 908 O GLU A 110 24.118 -19.256 7.414 1.00 25.56 O ATOM 909 CB GLU A 110 22.126 -16.804 6.919 1.00 29.37 C ATOM 910 CG GLU A 110 22.005 -15.277 6.833 1.00 31.53 C ATOM 911 CD GLU A 110 21.251 -14.749 5.600 1.00 34.96 C ATOM 912 OE1 GLU A 110 20.473 -15.498 4.940 1.00 33.17 O ATOM 913 OE2 GLU A 110 21.408 -13.539 5.296 1.00 38.64 O ATOM 914 H GLU A 110 22.030 -16.863 4.382 1.00 0.00 H ATOM 915 N TYR A 111 23.001 -19.757 5.522 1.00 23.47 N ATOM 916 CA TYR A 111 23.234 -21.200 5.632 1.00 22.23 C ATOM 917 C TYR A 111 24.229 -21.690 4.597 1.00 22.40 C ATOM 918 O TYR A 111 24.392 -22.902 4.399 1.00 21.43 O ATOM 919 CB TYR A 111 21.907 -21.946 5.529 1.00 22.17 C ATOM 920 CG TYR A 111 21.016 -21.593 6.699 1.00 23.04 C ATOM 921 CD1 TYR A 111 21.092 -22.291 7.891 1.00 23.74 C ATOM 922 CD2 TYR A 111 20.190 -20.497 6.634 1.00 24.84 C ATOM 923 CE1 TYR A 111 20.308 -21.934 8.982 1.00 24.47 C ATOM 924 CE2 TYR A 111 19.393 -20.135 7.709 1.00 26.24 C ATOM 925 CZ TYR A 111 19.454 -20.849 8.876 1.00 25.70 C ATOM 926 OH TYR A 111 18.659 -20.445 9.936 1.00 28.79 O ATOM 927 HH TYR A 111 17.707 -20.480 9.665 1.00 0.00 H ATOM 928 H TYR A 111 22.435 -19.399 4.727 1.00 0.00 H ATOM 929 N ALA A 112 24.919 -20.749 3.962 1.00 21.88 N ATOM 930 CA ALA A 112 25.905 -21.076 2.955 1.00 21.55 C ATOM 931 C ALA A 112 27.196 -20.286 3.198 1.00 21.63 C ATOM 932 O ALA A 112 27.912 -20.568 4.165 1.00 23.95 O ATOM 933 CB ALA A 112 25.326 -20.859 1.578 1.00 22.15 C ATOM 934 H ALA A 112 24.746 -19.750 4.195 1.00 0.00 H ATOM 935 N TYR A 113 27.487 -19.295 2.370 1.00 21.10 N ATOM 936 CA TYR A 113 28.779 -18.584 2.452 1.00 22.42 C ATOM 937 C TYR A 113 28.650 -17.126 2.959 1.00 24.88 C ATOM 938 O TYR A 113 29.657 -16.421 3.025 1.00 27.57 O ATOM 939 CB TYR A 113 29.479 -18.625 1.101 1.00 21.62 C ATOM 940 CG TYR A 113 29.824 -20.034 0.660 1.00 20.32 C ATOM 941 CD1 TYR A 113 31.005 -20.645 1.055 1.00 20.64 C ATOM 942 CD2 TYR A 113 28.944 -20.761 -0.133 1.00 20.67 C ATOM 943 CE1 TYR A 113 31.309 -21.945 0.670 1.00 20.13 C ATOM 944 CE2 TYR A 113 29.253 -22.051 -0.529 1.00 20.02 C ATOM 945 CZ TYR A 113 30.418 -22.639 -0.118 1.00 20.58 C ATOM 946 OH TYR A 113 30.716 -23.938 -0.517 1.00 20.54 O ATOM 947 HH TYR A 113 30.762 -23.976 -1.505 1.00 0.00 H ATOM 948 H TYR A 113 26.793 -19.012 1.649 1.00 0.00 H ATOM 949 N GLY A 114 27.421 -16.722 3.300 1.00 27.20 N ATOM 950 CA GLY A 114 27.106 -15.438 3.935 1.00 26.90 C ATOM 951 C GLY A 114 27.634 -14.230 3.175 1.00 28.61 C ATOM 952 O GLY A 114 27.713 -14.234 1.946 1.00 28.49 O ATOM 953 H GLY A 114 26.630 -17.367 3.100 1.00 0.00 H ATOM 954 N SER A 115 28.044 -13.205 3.911 1.00 30.06 N ATOM 955 CA SER A 115 28.587 -11.998 3.276 1.00 31.15 C ATOM 956 C SER A 115 29.947 -12.185 2.610 1.00 30.35 C ATOM 957 O SER A 115 30.181 -11.660 1.525 1.00 32.95 O ATOM 958 CB SER A 115 28.671 -10.846 4.287 1.00 30.75 C ATOM 959 OG SER A 115 29.346 -11.244 5.473 1.00 31.64 O ATOM 960 HG SER A 115 28.858 -11.996 5.893 1.00 0.00 H ATOM 961 H SER A 115 27.980 -13.257 4.948 1.00 0.00 H ATOM 962 N ALA A 116 30.842 -12.931 3.242 1.00 31.38 N ATOM 963 CA ALA A 116 32.187 -13.101 2.715 1.00 31.89 C ATOM 964 C ALA A 116 32.182 -13.761 1.334 1.00 32.66 C ATOM 965 O ALA A 116 32.966 -13.381 0.458 1.00 31.88 O ATOM 966 CB ALA A 116 33.049 -13.895 3.686 1.00 33.22 C ATOM 967 H ALA A 116 30.578 -13.403 4.130 1.00 0.00 H ATOM 968 N GLY A 117 31.281 -14.724 1.133 1.00 29.32 N ATOM 969 CA GLY A 117 31.331 -15.575 -0.049 1.00 28.20 C ATOM 970 C GLY A 117 32.539 -16.477 -0.021 1.00 28.54 C ATOM 971 O GLY A 117 33.053 -16.842 1.035 1.00 30.57 O ATOM 972 H GLY A 117 30.527 -14.871 1.834 1.00 0.00 H ATOM 973 N SER A 118 33.027 -16.837 -1.195 1.00 28.96 N ATOM 974 CA SER A 118 34.232 -17.611 -1.259 1.00 28.50 C ATOM 975 C SER A 118 34.814 -17.350 -2.632 1.00 29.52 C ATOM 976 O SER A 118 34.137 -17.524 -3.623 1.00 30.55 O ATOM 977 CB SER A 118 33.910 -19.096 -1.056 1.00 27.05 C ATOM 978 OG SER A 118 35.064 -19.900 -1.207 1.00 27.30 O ATOM 979 HG SER A 118 34.823 -20.850 -1.070 1.00 0.00 H ATOM 980 H SER A 118 32.538 -16.560 -2.070 1.00 0.00 H ATOM 981 N LEU A 119 36.059 -16.898 -2.683 1.00 29.68 N ATOM 982 CA LEU A 119 36.677 -16.595 -3.970 1.00 30.17 C ATOM 983 C LEU A 119 37.164 -17.928 -4.559 1.00 30.05 C ATOM 984 O LEU A 119 37.656 -18.780 -3.823 1.00 30.62 O ATOM 985 CB LEU A 119 37.824 -15.591 -3.769 1.00 31.63 C ATOM 986 CG LEU A 119 37.910 -14.308 -4.598 1.00 32.36 C ATOM 987 CD1 LEU A 119 36.591 -13.554 -4.741 1.00 33.45 C ATOM 988 CD2 LEU A 119 38.963 -13.427 -3.953 1.00 32.08 C ATOM 989 H LEU A 119 36.597 -16.759 -1.804 1.00 0.00 H ATOM 990 N PRO A 120 36.992 -18.143 -5.872 1.00 32.45 N ATOM 991 CA PRO A 120 36.376 -17.256 -6.846 1.00 33.64 C ATOM 992 C PRO A 120 34.938 -17.666 -7.226 1.00 33.22 C ATOM 993 O PRO A 120 34.321 -16.968 -8.014 1.00 34.24 O ATOM 994 CB PRO A 120 37.301 -17.422 -8.048 1.00 33.64 C ATOM 995 CG PRO A 120 37.661 -18.876 -7.993 1.00 35.01 C ATOM 996 CD PRO A 120 37.530 -19.334 -6.550 1.00 34.28 C ATOM 997 N LYS A 121 34.405 -18.757 -6.654 1.00 31.99 N ATOM 998 CA LYS A 121 33.120 -19.326 -7.124 1.00 29.36 C ATOM 999 C LYS A 121 31.881 -18.637 -6.575 1.00 29.44 C ATOM 1000 O LYS A 121 30.861 -18.524 -7.272 1.00 28.92 O ATOM 1001 CB LYS A 121 33.017 -20.833 -6.810 1.00 29.40 C ATOM 1002 CG LYS A 121 33.623 -21.758 -7.853 1.00 30.95 C ATOM 1003 CD LYS A 121 34.125 -23.055 -7.234 1.00 31.92 C ATOM 1004 CE LYS A 121 34.140 -24.226 -8.208 1.00 34.88 C ATOM 1005 NZ LYS A 121 34.549 -23.909 -9.603 1.00 32.33 N ATOM 1006 HZ1 LYS A 121 33.894 -23.207 -10.004 1.00 0.00 H ATOM 1007 HZ2 LYS A 121 35.514 -23.522 -9.601 1.00 0.00 H ATOM 1008 HZ3 LYS A 121 34.523 -24.776 -10.176 1.00 0.00 H ATOM 1009 H LYS A 121 34.905 -19.213 -5.864 1.00 0.00 H ATOM 1010 N ILE A 122 31.936 -18.218 -5.317 1.00 26.33 N ATOM 1011 CA ILE A 122 30.726 -17.755 -4.655 1.00 25.21 C ATOM 1012 C ILE A 122 30.779 -16.264 -4.346 1.00 25.59 C ATOM 1013 O ILE A 122 31.569 -15.824 -3.499 1.00 27.25 O ATOM 1014 CB ILE A 122 30.436 -18.520 -3.355 1.00 23.63 C ATOM 1015 CG1 ILE A 122 30.719 -20.004 -3.508 1.00 24.91 C ATOM 1016 CG2 ILE A 122 28.994 -18.288 -2.929 1.00 23.16 C ATOM 1017 CD1 ILE A 122 29.845 -20.705 -4.514 1.00 26.12 C ATOM 1018 H ILE A 122 32.842 -18.221 -4.806 1.00 0.00 H ATOM 1019 N PRO A 123 29.934 -15.482 -5.022 1.00 28.34 N ATOM 1020 CA PRO A 123 29.900 -14.067 -4.664 1.00 29.87 C ATOM 1021 C PRO A 123 29.394 -13.847 -3.244 1.00 30.79 C ATOM 1022 O PRO A 123 28.890 -14.776 -2.600 1.00 27.74 O ATOM 1023 CB PRO A 123 28.901 -13.471 -5.658 1.00 29.76 C ATOM 1024 CG PRO A 123 28.088 -14.615 -6.155 1.00 30.19 C ATOM 1025 CD PRO A 123 28.987 -15.808 -6.107 1.00 28.19 C ATOM 1026 N SER A 124 29.553 -12.621 -2.761 1.00 28.07 N ATOM 1027 CA SER A 124 28.872 -12.204 -1.550 1.00 30.43 C ATOM 1028 C SER A 124 27.352 -12.333 -1.700 1.00 27.86 C ATOM 1029 O SER A 124 26.804 -12.128 -2.769 1.00 29.02 O ATOM 1030 CB SER A 124 29.229 -10.750 -1.206 1.00 29.99 C ATOM 1031 OG SER A 124 28.496 -10.311 -0.064 1.00 32.59 O ATOM 1032 HG SER A 124 28.716 -10.888 0.710 1.00 0.00 H ATOM 1033 H SER A 124 30.174 -11.950 -3.257 1.00 0.00 H ATOM 1034 N ASN A 125 26.690 -12.692 -0.600 1.00 30.36 N ATOM 1035 CA ASN A 125 25.212 -12.747 -0.497 1.00 29.44 C ATOM 1036 C ASN A 125 24.506 -13.643 -1.535 1.00 28.40 C ATOM 1037 O ASN A 125 23.426 -13.325 -2.034 1.00 29.58 O ATOM 1038 CB ASN A 125 24.603 -11.325 -0.460 1.00 31.67 C ATOM 1039 CG ASN A 125 23.897 -11.009 0.868 1.00 34.21 C ATOM 1040 OD1 ASN A 125 23.493 -11.906 1.615 1.00 34.13 O ATOM 1041 ND2 ASN A 125 23.731 -9.707 1.157 1.00 37.99 N ATOM 1042 HD22 ASN A 125 24.085 -8.980 0.503 1.00 0.00 H ATOM 1043 HD21 ASN A 125 23.249 -9.427 2.035 1.00 0.00 H ATOM 1044 H ASN A 125 27.246 -12.950 0.240 1.00 0.00 H ATOM 1045 N ALA A 126 25.114 -14.789 -1.821 1.00 27.55 N ATOM 1046 CA ALA A 126 24.587 -15.683 -2.834 1.00 27.47 C ATOM 1047 C ALA A 126 23.656 -16.727 -2.235 1.00 28.02 C ATOM 1048 O ALA A 126 23.986 -17.354 -1.236 1.00 28.66 O ATOM 1049 CB ALA A 126 25.727 -16.367 -3.552 1.00 27.35 C ATOM 1050 H ALA A 126 25.982 -15.049 -1.310 1.00 0.00 H ATOM 1051 N THR A 127 22.494 -16.900 -2.859 1.00 26.43 N ATOM 1052 CA THR A 127 21.596 -18.017 -2.548 1.00 26.88 C ATOM 1053 C THR A 127 21.970 -19.150 -3.508 1.00 25.30 C ATOM 1054 O THR A 127 22.155 -18.908 -4.690 1.00 26.00 O ATOM 1055 CB THR A 127 20.119 -17.608 -2.716 1.00 29.02 C ATOM 1056 OG1 THR A 127 19.773 -16.650 -1.707 1.00 30.83 O ATOM 1057 CG2 THR A 127 19.185 -18.778 -2.582 1.00 27.52 C ATOM 1058 HG1 THR A 127 20.351 -15.851 -1.800 1.00 0.00 H ATOM 1059 H THR A 127 22.212 -16.219 -3.593 1.00 0.00 H ATOM 1060 N LEU A 128 22.095 -20.368 -2.977 1.00 22.55 N ATOM 1061 CA LEU A 128 22.535 -21.534 -3.740 1.00 21.72 C ATOM 1062 C LEU A 128 21.408 -22.552 -3.889 1.00 20.07 C ATOM 1063 O LEU A 128 20.586 -22.750 -2.966 1.00 21.86 O ATOM 1064 CB LEU A 128 23.711 -22.231 -3.051 1.00 22.10 C ATOM 1065 CG LEU A 128 24.924 -21.447 -2.519 1.00 23.98 C ATOM 1066 CD1 LEU A 128 26.067 -22.419 -2.306 1.00 24.95 C ATOM 1067 CD2 LEU A 128 25.349 -20.337 -3.452 1.00 24.53 C ATOM 1068 H LEU A 128 21.868 -20.494 -1.970 1.00 0.00 H ATOM 1069 N PHE A 129 21.374 -23.215 -5.049 1.00 18.47 N ATOM 1070 CA PHE A 129 20.411 -24.276 -5.295 1.00 17.85 C ATOM 1071 C PHE A 129 21.145 -25.605 -5.529 1.00 17.83 C ATOM 1072 O PHE A 129 22.125 -25.672 -6.258 1.00 19.38 O ATOM 1073 CB PHE A 129 19.519 -23.970 -6.498 1.00 19.64 C ATOM 1074 CG PHE A 129 18.595 -25.092 -6.864 1.00 21.03 C ATOM 1075 CD1 PHE A 129 17.309 -25.154 -6.335 1.00 23.48 C ATOM 1076 CD2 PHE A 129 19.007 -26.091 -7.739 1.00 23.56 C ATOM 1077 CE1 PHE A 129 16.450 -26.194 -6.671 1.00 24.27 C ATOM 1078 CE2 PHE A 129 18.154 -27.130 -8.087 1.00 23.74 C ATOM 1079 CZ PHE A 129 16.873 -27.175 -7.551 1.00 23.94 C ATOM 1080 H PHE A 129 22.054 -22.965 -5.795 1.00 0.00 H ATOM 1081 N PHE A 130 20.640 -26.662 -4.919 1.00 16.61 N ATOM 1082 CA PHE A 130 21.216 -28.003 -5.094 1.00 15.25 C ATOM 1083 C PHE A 130 20.187 -29.091 -5.355 1.00 16.05 C ATOM 1084 O PHE A 130 19.092 -29.091 -4.751 1.00 15.41 O ATOM 1085 CB PHE A 130 21.941 -28.451 -3.835 1.00 15.84 C ATOM 1086 CG PHE A 130 23.147 -27.630 -3.483 1.00 15.57 C ATOM 1087 CD1 PHE A 130 24.369 -27.950 -4.015 1.00 14.97 C ATOM 1088 CD2 PHE A 130 23.058 -26.602 -2.550 1.00 15.35 C ATOM 1089 CE1 PHE A 130 25.496 -27.239 -3.658 1.00 15.87 C ATOM 1090 CE2 PHE A 130 24.178 -25.870 -2.214 1.00 15.99 C ATOM 1091 CZ PHE A 130 25.406 -26.199 -2.779 1.00 15.81 C ATOM 1092 H PHE A 130 19.814 -26.542 -4.299 1.00 0.00 H ATOM 1093 N GLU A 131 20.571 -30.021 -6.228 1.00 14.39 N ATOM 1094 CA GLU A 131 19.949 -31.314 -6.335 1.00 14.65 C ATOM 1095 C GLU A 131 20.866 -32.351 -5.693 1.00 14.66 C ATOM 1096 O GLU A 131 22.050 -32.387 -5.988 1.00 16.38 O ATOM 1097 CB GLU A 131 19.703 -31.670 -7.825 1.00 14.77 C ATOM 1098 CG GLU A 131 19.234 -33.090 -8.024 1.00 17.21 C ATOM 1099 CD GLU A 131 18.825 -33.300 -9.454 1.00 18.88 C ATOM 1100 OE1 GLU A 131 17.750 -32.790 -9.829 1.00 20.12 O ATOM 1101 OE2 GLU A 131 19.619 -33.935 -10.187 1.00 20.61 O ATOM 1102 H GLU A 131 21.362 -29.801 -6.866 1.00 0.00 H ATOM 1103 N ILE A 132 20.363 -33.142 -4.725 1.00 14.31 N ATOM 1104 CA ILE A 132 21.204 -34.080 -3.998 1.00 14.50 C ATOM 1105 C ILE A 132 20.560 -35.467 -4.001 1.00 15.11 C ATOM 1106 O ILE A 132 19.395 -35.607 -3.678 1.00 17.09 O ATOM 1107 CB ILE A 132 21.408 -33.683 -2.512 1.00 14.37 C ATOM 1108 CG1 ILE A 132 21.960 -32.260 -2.414 1.00 14.94 C ATOM 1109 CG2 ILE A 132 22.338 -34.657 -1.805 1.00 14.19 C ATOM 1110 CD1 ILE A 132 22.117 -31.737 -0.999 1.00 15.23 C ATOM 1111 H ILE A 132 19.351 -33.080 -4.493 1.00 0.00 H ATOM 1112 N GLU A 133 21.358 -36.475 -4.329 1.00 15.89 N ATOM 1113 CA GLU A 133 20.926 -37.843 -4.286 1.00 17.26 C ATOM 1114 C GLU A 133 21.757 -38.512 -3.203 1.00 17.60 C ATOM 1115 O GLU A 133 22.977 -38.530 -3.300 1.00 18.59 O ATOM 1116 CB GLU A 133 21.161 -38.537 -5.643 1.00 19.47 C ATOM 1117 CG GLU A 133 20.780 -39.999 -5.593 1.00 19.77 C ATOM 1118 CD GLU A 133 21.093 -40.731 -6.888 1.00 23.25 C ATOM 1119 OE1 GLU A 133 21.726 -40.137 -7.783 1.00 27.62 O ATOM 1120 OE2 GLU A 133 20.698 -41.905 -6.982 1.00 26.48 O ATOM 1121 H GLU A 133 22.332 -36.266 -4.628 1.00 0.00 H ATOM 1122 N LEU A 134 21.105 -39.050 -2.178 1.00 17.54 N ATOM 1123 CA LEU A 134 21.798 -39.779 -1.109 1.00 17.87 C ATOM 1124 C LEU A 134 21.996 -41.236 -1.493 1.00 19.23 C ATOM 1125 O LEU A 134 21.024 -42.015 -1.575 1.00 20.48 O ATOM 1126 CB LEU A 134 21.034 -39.665 0.236 1.00 17.87 C ATOM 1127 CG LEU A 134 21.690 -40.304 1.477 1.00 17.37 C ATOM 1128 CD1 LEU A 134 23.109 -39.795 1.634 1.00 18.30 C ATOM 1129 CD2 LEU A 134 20.845 -40.064 2.741 1.00 18.50 C ATOM 1130 H LEU A 134 20.071 -38.951 -2.132 1.00 0.00 H ATOM 1131 N LEU A 135 23.238 -41.598 -1.794 1.00 19.88 N ATOM 1132 CA LEU A 135 23.536 -42.937 -2.323 1.00 20.80 C ATOM 1133 C LEU A 135 23.617 -43.963 -1.209 1.00 22.11 C ATOM 1134 O LEU A 135 23.062 -45.069 -1.335 1.00 24.13 O ATOM 1135 CB LEU A 135 24.836 -42.943 -3.116 1.00 22.01 C ATOM 1136 CG LEU A 135 24.972 -41.850 -4.169 1.00 22.30 C ATOM 1137 CD1 LEU A 135 26.414 -41.826 -4.643 1.00 23.47 C ATOM 1138 CD2 LEU A 135 23.995 -42.067 -5.320 1.00 23.49 C ATOM 1139 H LEU A 135 24.015 -40.921 -1.653 1.00 0.00 H ATOM 1140 N ASP A 136 24.279 -43.588 -0.123 1.00 22.77 N ATOM 1141 CA ASP A 136 24.513 -44.464 1.029 1.00 23.28 C ATOM 1142 C ASP A 136 25.086 -43.666 2.202 1.00 23.84 C ATOM 1143 O ASP A 136 25.516 -42.536 2.047 1.00 20.08 O ATOM 1144 CB ASP A 136 25.485 -45.599 0.668 1.00 26.04 C ATOM 1145 CG ASP A 136 25.383 -46.800 1.617 1.00 28.51 C ATOM 1146 OD1 ASP A 136 24.426 -46.898 2.417 1.00 30.31 O ATOM 1147 OD2 ASP A 136 26.274 -47.669 1.550 1.00 33.78 O ATOM 1148 H ASP A 136 24.653 -42.618 -0.086 1.00 0.00 H ATOM 1149 N PHE A 137 25.036 -44.258 3.391 1.00 22.97 N ATOM 1150 CA PHE A 137 25.689 -43.705 4.562 1.00 22.75 C ATOM 1151 C PHE A 137 26.032 -44.809 5.524 1.00 25.05 C ATOM 1152 O PHE A 137 25.404 -45.884 5.503 1.00 23.31 O ATOM 1153 CB PHE A 137 24.833 -42.620 5.246 1.00 22.80 C ATOM 1154 CG PHE A 137 23.456 -43.085 5.688 1.00 22.11 C ATOM 1155 CD1 PHE A 137 23.267 -43.642 6.951 1.00 23.95 C ATOM 1156 CD2 PHE A 137 22.350 -42.902 4.879 1.00 21.49 C ATOM 1157 CE1 PHE A 137 22.016 -44.037 7.377 1.00 23.94 C ATOM 1158 CE2 PHE A 137 21.085 -43.309 5.296 1.00 22.54 C ATOM 1159 CZ PHE A 137 20.921 -43.879 6.550 1.00 23.90 C ATOM 1160 H PHE A 137 24.510 -45.150 3.485 1.00 0.00 H ATOM 1161 N LYS A 138 27.026 -44.543 6.359 1.00 28.70 N ATOM 1162 CA LYS A 138 27.430 -45.498 7.374 1.00 33.14 C ATOM 1163 C LYS A 138 28.133 -44.818 8.530 1.00 34.96 C ATOM 1164 O LYS A 138 28.830 -43.833 8.342 1.00 31.62 O ATOM 1165 CB LYS A 138 28.285 -46.606 6.768 1.00 36.58 C ATOM 1166 CG LYS A 138 29.402 -46.146 5.846 1.00 40.48 C ATOM 1167 CD LYS A 138 29.709 -47.260 4.848 1.00 43.51 C ATOM 1168 CE LYS A 138 31.109 -47.164 4.287 1.00 46.70 C ATOM 1169 NZ LYS A 138 31.249 -47.967 3.036 1.00 49.59 N ATOM 1170 HZ1 LYS A 138 31.042 -48.965 3.241 1.00 0.00 H ATOM 1171 HZ2 LYS A 138 30.581 -47.613 2.322 1.00 0.00 H ATOM 1172 HZ3 LYS A 138 32.221 -47.880 2.677 1.00 0.00 H ATOM 1173 H LYS A 138 27.525 -43.634 6.286 1.00 0.00 H ATOM 1174 N GLY A 139 27.911 -45.341 9.735 1.00 38.27 N ATOM 1175 CA GLY A 139 28.487 -44.765 10.946 1.00 39.45 C ATOM 1176 C GLY A 139 29.958 -45.104 11.070 1.00 39.33 C ATOM 1177 O GLY A 139 30.500 -45.809 10.232 1.00 40.41 O ATOM 1178 H GLY A 139 27.309 -46.185 9.815 1.00 0.00 H TER 1179 GLY A 139 HETATM 1180 O HOH 1 35.032 -40.152 -4.381 1.00 35.25 O HETATM 1181 O HOH 2 21.025 -14.100 -1.784 1.00 35.06 O HETATM 1182 O HOH 3 11.311 -48.632 1.643 1.00 36.71 O HETATM 1183 O HOH 4 28.097 -26.935 8.317 1.00 23.93 O HETATM 1184 O HOH 5 18.409 -25.029 11.457 1.00 31.28 O HETATM 1185 O HOH 6 20.681 -43.793 11.062 1.00 27.02 O HETATM 1186 O HOH 7 13.426 -37.839 3.954 1.00 25.67 O HETATM 1187 O HOH 8 29.870 -31.855 7.995 1.00 20.59 O HETATM 1188 O HOH 9 19.551 -34.567 -12.722 1.00 18.44 O HETATM 1189 O HOH 10 21.486 -37.816 -9.046 1.00 39.19 O HETATM 1190 O HOH 11 10.874 -43.859 2.461 1.00 37.10 O HETATM 1191 O HOH 12 29.323 -31.910 15.504 1.00 34.48 O HETATM 1192 O HOH 13 12.643 -40.187 0.980 1.00 20.69 O HETATM 1193 O HOH 14 18.085 -22.152 11.941 1.00 34.80 O HETATM 1194 O HOH 15 32.670 -27.766 -10.642 1.00 33.32 O HETATM 1195 O HOH 16 26.208 -32.760 -14.633 1.00 25.08 O HETATM 1196 O HOH 17 33.086 -11.467 -1.465 1.00 26.38 O HETATM 1197 O HOH 18 27.868 -15.841 -0.318 1.00 26.46 O HETATM 1198 O HOH 19 14.795 -47.795 7.355 1.00 33.20 O HETATM 1199 O HOH 20 17.005 -44.836 4.339 1.00 20.01 O HETATM 1200 O HOH 21 30.024 -14.028 5.644 1.00 34.40 O HETATM 1201 O HOH 22 14.777 -43.782 -4.627 1.00 31.33 O HETATM 1202 O HOH 23 17.052 -28.056 11.509 1.00 38.10 O HETATM 1203 O HOH 24 18.002 -31.523 9.822 1.00 23.02 O HETATM 1204 O HOH 25 27.610 -22.620 6.045 1.00 22.74 O HETATM 1205 O HOH 26 26.321 -18.220 0.062 1.00 28.11 O HETATM 1206 O HOH 27 32.538 -40.369 8.550 1.00 32.05 O HETATM 1207 O HOH 28 11.760 -34.496 3.786 1.00 25.63 O HETATM 1208 O HOH 29 15.850 -20.742 1.036 1.00 28.08 O HETATM 1209 O HOH 30 17.807 -42.483 -6.415 1.00 26.50 O HETATM 1210 O HOH 31 23.768 -32.618 10.658 1.00 28.75 O HETATM 1211 O HOH 32 22.271 -34.973 -8.858 1.00 34.21 O HETATM 1212 O HOH 33 32.578 -35.316 -6.395 1.00 21.74 O HETATM 1213 O HOH 34 31.489 -30.400 -12.151 1.00 32.54 O HETATM 1214 O HOH 35 34.720 -20.658 -4.527 1.00 26.64 O HETATM 1215 O HOH 36 10.639 -43.309 -5.177 1.00 39.37 O HETATM 1216 O HOH 37 27.993 -13.497 6.818 1.00 36.83 O HETATM 1217 O HOH 38 11.917 -28.508 -7.612 1.00 37.07 O HETATM 1218 O HOH 39 22.615 -48.412 0.661 1.00 43.16 O HETATM 1219 O HOH 40 3.349 -21.023 -1.003 1.00 51.61 O HETATM 1220 O HOH 41 10.566 -31.945 2.389 1.00 36.21 O HETATM 1221 O HOH 42 30.812 -21.096 4.728 1.00 35.72 O HETATM 1222 O HOH 43 8.738 -31.540 -10.897 1.00 42.16 O HETATM 1223 O HOH 44 19.941 -26.452 12.736 1.00 49.44 O HETATM 1224 O HOH 45 17.078 -40.882 -13.144 1.00 26.27 O HETATM 1225 O HOH 46 8.480 -32.450 -0.774 1.00 31.67 O HETATM 1226 O HOH 47 9.396 -40.869 -5.820 1.00 28.38 O HETATM 1227 O HOH 48 23.677 -11.401 -8.777 1.00 33.91 O HETATM 1228 O HOH 49 20.658 -44.232 -4.934 1.00 45.35 O HETATM 1229 O HOH 50 13.308 -16.776 12.752 1.00 46.85 O HETATM 1230 O HOH 51 4.376 -24.763 0.519 1.00 41.04 O HETATM 1231 O HOH 52 8.429 -33.227 -6.370 1.00 41.09 O HETATM 1232 O HOH 53 11.540 -15.815 2.183 1.00 40.14 O HETATM 1233 O HOH 54 17.456 -34.759 10.793 1.00 25.62 O HETATM 1234 O HOH 55 23.075 -16.005 -6.754 1.00 39.93 O HETATM 1235 O HOH 56 28.974 -39.916 -12.259 1.00 35.01 O HETATM 1236 O HOH 57 21.174 -14.623 -4.982 1.00 39.99 O HETATM 1237 O HOH 58 27.765 -18.143 6.455 1.00 37.50 O HETATM 1238 O HOH 59 34.906 -20.980 -11.165 1.00 37.86 O HETATM 1239 O HOH 60 32.189 -18.568 3.943 1.00 42.12 O HETATM 1240 O HOH 61 9.797 -41.662 7.464 1.00 43.83 O HETATM 1241 O HOH 62 34.822 -36.161 -5.103 1.00 26.81 O HETATM 1242 O HOH 63 31.391 -24.318 5.638 1.00 45.50 O HETATM 1243 CAU UNN A 64 32.937 -28.575 0.893 1.00 -0.02 C HETATM 1244 CAO UNN A 64 33.441 -29.265 -0.325 1.00 -0.05 C HETATM 1245 CAP UNN A 64 33.950 -28.156 -1.273 1.00 -0.05 C HETATM 1246 CAV UNN A 64 33.932 -26.852 -0.462 1.00 -0.02 C HETATM 1247 CBL UNN A 64 32.738 -27.080 0.443 1.00 0.13 C HETATM 1248 CBA UNN A 64 32.793 -26.171 1.667 1.00 0.22 C HETATM 1249 OAE UNN A 64 33.329 -26.577 2.687 1.00 -0.34 O HETATM 1250 NAD UNN A 64 32.123 -25.050 1.624 1.00 -0.30 N HETATM 1251 H9 UNN A 64 32.136 -24.429 2.408 1.00 0.18 H HETATM 1252 H10 UNN A 64 31.597 -24.813 0.807 1.00 0.18 H HETATM 1253 NAW UNN A 64 31.504 -26.926 -0.361 1.00 -0.27 N HETATM 1254 C UNN A 64 30.262 -27.233 0.115 1.00 0.20 C HETATM 1255 O UNN A 64 30.101 -27.430 1.335 1.00 -0.39 O HETATM 1256 CA UNN A 64 29.153 -27.159 -0.827 1.00 0.13 C HETATM 1257 CB UNN A 64 28.211 -28.387 -0.651 1.00 -0.01 C HETATM 1258 CAM UNN A 64 28.874 -29.611 -1.035 1.00 -0.05 C HETATM 1259 CAN UNN A 64 29.131 -29.509 -2.530 1.00 -0.03 C HETATM 1260 CAT UNN A 64 30.094 -28.372 -2.829 1.00 0.04 C HETATM 1261 N UNN A 64 29.558 -27.121 -2.264 1.00 -0.25 N HETATM 1262 CBC UNN A 64 29.458 -25.975 -2.969 1.00 0.19 C HETATM 1263 OAG UNN A 64 28.967 -24.945 -2.533 1.00 -0.39 O HETATM 1264 CBJ UNN A 64 29.982 -25.967 -4.423 1.00 0.08 C HETATM 1265 CBH UNN A 64 29.385 -24.757 -5.212 1.00 -0.01 C HETATM 1266 CAQ UNN A 64 30.084 -24.547 -6.561 1.00 -0.05 C HETATM 1267 CAK UNN A 64 29.516 -23.370 -7.289 1.00 -0.05 C HETATM 1268 CAJ UNN A 64 28.054 -23.740 -7.597 1.00 -0.05 C HETATM 1269 CAL UNN A 64 27.311 -23.879 -6.278 1.00 -0.05 C HETATM 1270 CAR UNN A 64 27.867 -25.017 -5.503 1.00 -0.05 C HETATM 1271 H31 UNN A 64 27.323 -25.114 -4.552 1.00 0.03 H HETATM 1272 H32 UNN A 64 27.758 -25.945 -6.084 1.00 0.03 H HETATM 1273 H29 UNN A 64 26.244 -24.060 -6.477 1.00 0.03 H HETATM 1274 H30 UNN A 64 27.423 -22.952 -5.697 1.00 0.03 H HETATM 1275 H27 UNN A 64 28.019 -24.692 -8.146 1.00 0.03 H HETATM 1276 H28 UNN A 64 27.590 -22.949 -8.204 1.00 0.03 H HETATM 1277 H25 UNN A 64 30.071 -23.191 -8.222 1.00 0.03 H HETATM 1278 H26 UNN A 64 29.559 -22.470 -6.657 1.00 0.03 H HETATM 1279 H23 UNN A 64 29.951 -25.448 -7.178 1.00 0.03 H HETATM 1280 H24 UNN A 64 31.157 -24.377 -6.386 1.00 0.03 H HETATM 1281 H22 UNN A 64 29.495 -23.848 -4.603 1.00 0.03 H HETATM 1282 CBD UNN A 64 31.415 -25.852 -4.402 1.00 -0.05 C HETATM 1283 CAI UNN A 64 32.063 -24.896 -3.608 1.00 -0.05 C HETATM 1284 CBF UNN A 64 33.462 -24.758 -3.660 1.00 0.11 C HETATM 1285 CBG UNN A 64 34.190 -25.596 -4.486 1.00 0.14 C HETATM 1286 CBE UNN A 64 33.580 -26.546 -5.283 1.00 0.11 C HETATM 1287 CAH UNN A 64 32.183 -26.662 -5.252 1.00 -0.05 C HETATM 1288 H34 UNN A 64 31.691 -27.386 -5.892 1.00 0.04 H HETATM 1289 OAX UNN A 64 34.423 -27.275 -6.076 1.00 -0.33 O HETATM 1290 CAA UNN A 64 33.883 -28.153 -7.099 1.00 0.06 C HETATM 1291 H35 UNN A 64 34.709 -28.650 -7.629 1.00 0.06 H HETATM 1292 H36 UNN A 64 33.291 -27.562 -7.814 1.00 0.06 H HETATM 1293 H37 UNN A 64 33.240 -28.912 -6.629 1.00 0.06 H HETATM 1294 OAZ UNN A 64 35.573 -25.468 -4.515 1.00 -0.33 O HETATM 1295 CAC UNN A 64 36.283 -26.388 -3.688 1.00 0.05 C HETATM 1296 H38 UNN A 64 37.364 -26.206 -3.781 1.00 0.06 H HETATM 1297 H39 UNN A 64 36.056 -27.417 -4.005 1.00 0.06 H HETATM 1298 H40 UNN A 64 35.977 -26.251 -2.640 1.00 0.06 H HETATM 1299 OAY UNN A 64 34.205 -23.875 -2.883 1.00 -0.33 O HETATM 1300 CAB UNN A 64 33.466 -22.840 -2.226 1.00 0.06 C HETATM 1301 H41 UNN A 64 34.155 -22.209 -1.646 1.00 0.06 H HETATM 1302 H42 UNN A 64 32.725 -23.291 -1.550 1.00 0.06 H HETATM 1303 H43 UNN A 64 32.950 -22.224 -2.977 1.00 0.06 H HETATM 1304 H33 UNN A 64 31.483 -24.259 -2.950 1.00 0.04 H HETATM 1305 H21 UNN A 64 29.693 -26.905 -4.920 1.00 0.07 H HETATM 1306 H19 UNN A 64 30.209 -28.264 -3.918 1.00 0.05 H HETATM 1307 H20 UNN A 64 31.073 -28.590 -2.377 1.00 0.05 H HETATM 1308 H17 UNN A 64 28.179 -29.323 -3.049 1.00 0.03 H HETATM 1309 H18 UNN A 64 29.565 -30.454 -2.888 1.00 0.03 H HETATM 1310 H15 UNN A 64 28.231 -30.477 -0.818 1.00 0.03 H HETATM 1311 H16 UNN A 64 29.825 -29.715 -0.492 1.00 0.03 H HETATM 1312 H13 UNN A 64 27.320 -28.249 -1.280 1.00 0.03 H HETATM 1313 H14 UNN A 64 27.908 -28.459 0.404 1.00 0.03 H HETATM 1314 H12 UNN A 64 28.590 -26.240 -0.605 1.00 0.08 H HETATM 1315 H11 UNN A 64 31.584 -26.581 -1.296 1.00 0.18 H HETATM 1316 H7 UNN A 64 33.784 -25.976 -1.111 1.00 0.03 H HETATM 1317 H8 UNN A 64 34.858 -26.726 0.118 1.00 0.03 H HETATM 1318 H5 UNN A 64 33.288 -28.070 -2.147 1.00 0.03 H HETATM 1319 H6 UNN A 64 34.973 -28.382 -1.608 1.00 0.03 H HETATM 1320 H3 UNN A 64 32.630 -29.833 -0.804 1.00 0.03 H HETATM 1321 H4 UNN A 64 34.262 -29.948 -0.063 1.00 0.03 H HETATM 1322 H1 UNN A 64 33.671 -28.641 1.710 1.00 0.03 H HETATM 1323 H2 UNN A 64 31.983 -29.013 1.221 1.00 0.03 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 1243 1244 1247 1322 1323 CONECT 1244 1243 1245 1320 1321 CONECT 1245 1244 1246 1318 1319 CONECT 1246 1245 1247 1316 1317 CONECT 1247 1243 1246 1248 1253 CONECT 1248 1247 1249 1250 CONECT 1249 1248 CONECT 1250 1248 1251 1252 CONECT 1251 1250 CONECT 1252 1250 CONECT 1253 1247 1254 1315 CONECT 1254 1253 1255 1256 CONECT 1255 1254 CONECT 1256 1254 1257 1261 1314 CONECT 1257 1256 1258 1312 1313 CONECT 1258 1257 1259 1310 1311 CONECT 1259 1258 1260 1308 1309 CONECT 1260 1259 1261 1306 1307 CONECT 1261 1256 1260 1262 CONECT 1262 1261 1263 1264 CONECT 1263 1262 CONECT 1264 1262 1265 1282 1305 CONECT 1265 1264 1266 1270 1281 CONECT 1266 1265 1267 1279 1280 CONECT 1267 1266 1268 1277 1278 CONECT 1268 1267 1269 1275 1276 CONECT 1269 1268 1270 1273 1274 CONECT 1270 1265 1269 1271 1272 CONECT 1271 1270 CONECT 1272 1270 CONECT 1273 1269 CONECT 1274 1269 CONECT 1275 1268 CONECT 1276 1268 CONECT 1277 1267 CONECT 1278 1267 CONECT 1279 1266 CONECT 1280 1266 CONECT 1281 1265 CONECT 1282 1264 1283 1287 CONECT 1283 1282 1284 1304 CONECT 1284 1283 1285 1299 CONECT 1285 1284 1286 1294 CONECT 1286 1285 1287 1289 CONECT 1287 1282 1286 1288 CONECT 1288 1287 CONECT 1289 1286 1290 CONECT 1290 1289 1291 1292 1293 CONECT 1291 1290 CONECT 1292 1290 CONECT 1293 1290 CONECT 1294 1285 1295 CONECT 1295 1294 1296 1297 1298 CONECT 1296 1295 CONECT 1297 1295 CONECT 1298 1295 CONECT 1299 1284 1300 CONECT 1300 1299 1301 1302 1303 CONECT 1301 1300 CONECT 1302 1300 CONECT 1303 1300 CONECT 1304 1283 CONECT 1305 1264 CONECT 1306 1260 CONECT 1307 1260 CONECT 1308 1259 CONECT 1309 1259 CONECT 1310 1258 CONECT 1311 1258 CONECT 1312 1257 CONECT 1313 1257 CONECT 1314 1256 CONECT 1315 1253 CONECT 1316 1246 CONECT 1317 1246 CONECT 1318 1245 CONECT 1319 1245 CONECT 1320 1244 CONECT 1321 1244 CONECT 1322 1243 CONECT 1323 1243 MASTER 0 0 0 0 0 0 0 0 1322 1 85 10 END
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Related entries of code: 5div
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4drk
RCSB PDB
PDBbind
128aa, >4DRK_1|Chains... at 96%
4drm
RCSB PDB
PDBbind
128aa, >4DRM_1|Chain... at 96%
4drn
RCSB PDB
PDBbind
128aa, >4DRN_1|Chain... at 96%
4dro
RCSB PDB
PDBbind
128aa, >4DRO_1|Chain... at 96%
4drp
RCSB PDB
PDBbind
128aa, >4DRP_1|Chain... at 96%
4jfi
RCSB PDB
PDBbind
127aa, >4JFI_1|Chain... at 96%
4jfj
RCSB PDB
PDBbind
128aa, >4JFJ_1|Chain... at 96%
4jfk
RCSB PDB
PDBbind
128aa, >4JFK_1|Chain... at 96%
4jfl
RCSB PDB
PDBbind
128aa, >4JFL_1|Chain... at 96%
4jfm
RCSB PDB
PDBbind
128aa, >4JFM_1|Chain... at 96%
4tw6
RCSB PDB
PDBbind
128aa, >4TW6_1|Chain... at 96%
4tw7
RCSB PDB
PDBbind
128aa, >4TW7_1|Chain... at 96%
4w9o
RCSB PDB
PDBbind
128aa, >4W9O_1|Chains... at 96%
4w9p
RCSB PDB
PDBbind
128aa, >4W9P_1|Chains... at 96%
4w9q
RCSB PDB
PDBbind
128aa, >4W9Q_1|Chain... at 96%
5dit
RCSB PDB
PDBbind
128aa, >5DIT_1|Chain... at 96%
5diu
RCSB PDB
PDBbind
128aa, >5DIU_1|Chain... at 96%
6saf
RCSB PDB
PDBbind
128aa, >6SAF_1|Chain... at 96%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5div
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Fk1 domain of FKBP51
Ligand Name
5BH
EC.Number
E.C.5.2.1.8
Resolution
1.65(Å)
Affinity (Kd/Ki/IC50)
Ki=0.14uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) J.Med.Chem. Vol. 59: pp. 2410-2422
Ligand Properties
Formula
C
2
9
H
4
3
N
3
O
6
Molecular Weight
529.668
Exact Mass
529.315
No. of atoms
81
No. of bonds
84
Polar Surface Area
120.19
LOGP Value
4.23 (
Computed with XLOGP3
)
4.70 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 11
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 4
Canonical SMILES
COc1c(OC)cc(cc1OC)[C@@H](C(=O)N1CCCC[C@H]1C(=O)NC1(CCCC1)C(=O)N)C1CCCCC1
InChI String
InChI=1S/C29H43N3O6/c1-36-22-17-20(18-23(37-2)25(22)38-3)24(19-11-5-4-6-12-19)27(34)32-16-10-7-13-21(32)26(33)31-29(28(30)35)14-8-9-15-29/h17-19,21,24H,4-16H2,1-3H3,(H2,30,35)(H,31,33)/t21-,24-/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):
Q13451
Entrez Gene ID
NCBI Entrez Gene ID:
2289
ASD
Information of known allosteric effects of PDB entries
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