Browse entries in the PDBbind-CN Database
HEADER 5TZD_COMPLEX COMPND 5TZD_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 J 75 LYS LEU VAL LEU ASP LEU GLU ARG MET ALA HIS VAL PRO SEQRES 2 J 75 GLN GLU LYS ALA GLY PRO LEU GLN ARG TYR ALA ALA THR SEQRES 3 J 75 ILE GLN SER GLN ARG GLY ASP TYR ASN GLY LYS VAL LEU SEQRES 4 J 75 SER ILE ARG GLN ASP ASP LEU ARG THR LEU ALA VAL ILE SEQRES 5 J 75 TYR ASP GLN SER PRO SER VAL LEU THR GLU GLN LEU ILE SEQRES 6 J 75 SER TRP GLY VAL LEU ASP ALA ASP ALA ARG HET C A 2E 68 ATOM 1 N LYS J 84 -31.861 11.649 -10.858 1.00 42.24 N ATOM 2 CA LYS J 84 -31.753 10.488 -9.979 1.00 34.80 C ATOM 3 C LYS J 84 -30.302 10.025 -9.793 1.00 27.62 C ATOM 4 O LYS J 84 -29.585 9.781 -10.764 1.00 31.74 O ATOM 5 CB LYS J 84 -32.591 9.340 -10.518 1.00 32.73 C ATOM 6 CG LYS J 84 -33.196 8.471 -9.431 1.00 38.34 C ATOM 7 CD LYS J 84 -34.028 9.301 -8.466 1.00 44.23 C ATOM 8 CE LYS J 84 -35.216 8.525 -7.914 1.00 44.14 C ATOM 9 NZ LYS J 84 -34.806 7.279 -7.222 1.00 47.14 N ATOM 10 HZ1 LYS J 84 -34.302 6.662 -7.891 1.00 0.00 H ATOM 11 HZ2 LYS J 84 -34.179 7.516 -6.427 1.00 0.00 H ATOM 12 HZ3 LYS J 84 -35.651 6.788 -6.865 1.00 0.00 H ATOM 13 HN3 LYS J 84 -31.478 11.410 -11.795 1.00 0.00 H ATOM 14 HN2 LYS J 84 -31.321 12.440 -10.453 1.00 0.00 H ATOM 15 HN1 LYS J 84 -32.861 11.921 -10.950 1.00 0.00 H ATOM 16 N LEU J 85 -29.890 9.922 -8.532 1.00 17.96 N ATOM 17 CA LEU J 85 -28.556 9.474 -8.154 1.00 18.46 C ATOM 18 C LEU J 85 -28.720 8.046 -7.684 1.00 16.78 C ATOM 19 O LEU J 85 -29.234 7.824 -6.594 1.00 18.74 O ATOM 20 CB LEU J 85 -28.054 10.309 -6.968 1.00 17.16 C ATOM 21 CG LEU J 85 -27.869 11.776 -7.309 1.00 20.32 C ATOM 22 CD1 LEU J 85 -27.559 12.559 -6.043 1.00 15.50 C ATOM 23 CD2 LEU J 85 -26.766 11.939 -8.361 1.00 25.11 C ATOM 24 H LEU J 85 -30.557 10.175 -7.775 1.00 0.00 H ATOM 25 N VAL J 86 -28.306 7.085 -8.502 1.00 13.10 N ATOM 26 CA VAL J 86 -28.482 5.679 -8.172 1.00 15.46 C ATOM 27 C VAL J 86 -27.125 4.984 -8.133 1.00 16.29 C ATOM 28 O VAL J 86 -26.346 5.050 -9.105 1.00 15.85 O ATOM 29 CB VAL J 86 -29.402 4.993 -9.198 1.00 17.49 C ATOM 30 CG1 VAL J 86 -29.599 3.521 -8.842 1.00 18.27 C ATOM 31 CG2 VAL J 86 -30.740 5.711 -9.228 1.00 12.84 C ATOM 32 H VAL J 86 -27.846 7.343 -9.398 1.00 0.00 H ATOM 33 N LEU J 87 -26.829 4.363 -6.983 1.00 13.24 N ATOM 34 CA LEU J 87 -25.544 3.730 -6.750 1.00 9.28 C ATOM 35 C LEU J 87 -25.695 2.268 -7.098 1.00 14.35 C ATOM 36 O LEU J 87 -26.640 1.624 -6.643 1.00 10.93 O ATOM 37 CB LEU J 87 -25.142 3.819 -5.274 1.00 8.50 C ATOM 38 CG LEU J 87 -25.042 5.225 -4.693 1.00 10.36 C ATOM 39 CD1 LEU J 87 -24.788 5.139 -3.176 1.00 20.08 C ATOM 40 CD2 LEU J 87 -23.973 6.033 -5.385 1.00 9.96 C ATOM 41 H LEU J 87 -27.546 4.334 -6.230 1.00 0.00 H ATOM 42 N ASP J 88 -24.726 1.758 -7.847 1.00 18.10 N ATOM 43 CA ASP J 88 -24.640 0.347 -8.202 1.00 10.73 C ATOM 44 C ASP J 88 -23.783 -0.307 -7.133 1.00 13.52 C ATOM 45 O ASP J 88 -22.575 -0.128 -7.131 1.00 14.52 O ATOM 46 CB ASP J 88 -23.971 0.236 -9.581 1.00 16.20 C ATOM 47 CG ASP J 88 -23.894 -1.199 -10.095 1.00 20.94 C ATOM 48 OD1 ASP J 88 -23.713 -2.136 -9.281 1.00 17.90 O ATOM 49 OD2 ASP J 88 -23.997 -1.384 -11.329 1.00 25.65 O ATOM 50 H ASP J 88 -23.988 2.400 -8.200 1.00 0.00 H ATOM 51 N LEU J 89 -24.383 -1.055 -6.205 1.00 14.05 N ATOM 52 CA LEU J 89 -23.624 -1.588 -5.077 1.00 16.19 C ATOM 53 C LEU J 89 -22.556 -2.611 -5.492 1.00 14.81 C ATOM 54 O LEU J 89 -21.504 -2.684 -4.852 1.00 16.68 O ATOM 55 CB LEU J 89 -24.574 -2.190 -4.006 1.00 14.25 C ATOM 56 CG LEU J 89 -25.617 -1.167 -3.551 1.00 17.16 C ATOM 57 CD1 LEU J 89 -26.645 -1.717 -2.543 1.00 13.29 C ATOM 58 CD2 LEU J 89 -24.954 0.093 -2.966 1.00 15.11 C ATOM 59 H LEU J 89 -25.399 -1.260 -6.286 1.00 0.00 H ATOM 60 N GLU J 90 -22.803 -3.394 -6.546 1.00 19.65 N ATOM 61 CA GLU J 90 -21.818 -4.392 -6.968 1.00 20.99 C ATOM 62 C GLU J 90 -20.520 -3.676 -7.384 1.00 20.95 C ATOM 63 O GLU J 90 -19.428 -4.059 -6.982 1.00 20.22 O ATOM 64 CB GLU J 90 -22.310 -5.263 -8.123 1.00 30.14 C ATOM 65 CG GLU J 90 -21.227 -6.264 -8.516 1.00 37.21 C ATOM 66 CD GLU J 90 -21.634 -7.243 -9.612 1.00 40.25 C ATOM 67 OE1 GLU J 90 -22.645 -7.964 -9.428 1.00 41.48 O ATOM 68 OE2 GLU J 90 -20.927 -7.290 -10.643 1.00 35.73 O ATOM 69 H GLU J 90 -23.697 -3.294 -7.068 1.00 0.00 H ATOM 70 N ARG J 91 -20.667 -2.590 -8.139 1.00 17.40 N ATOM 71 CA ARG J 91 -19.511 -1.837 -8.607 1.00 14.88 C ATOM 72 C ARG J 91 -18.859 -1.142 -7.408 1.00 15.62 C ATOM 73 O ARG J 91 -17.650 -0.923 -7.378 1.00 16.99 O ATOM 74 CB ARG J 91 -19.929 -0.808 -9.658 1.00 13.32 C ATOM 75 CG ARG J 91 -20.412 -1.402 -10.986 1.00 17.46 C ATOM 76 CD ARG J 91 -19.249 -1.850 -11.883 1.00 20.89 C ATOM 77 NE ARG J 91 -18.818 -3.203 -11.563 1.00 28.71 N ATOM 78 CZ ARG J 91 -17.561 -3.628 -11.508 1.00 38.42 C ATOM 79 NH1 ARG J 91 -16.543 -2.799 -11.747 1.00 39.97 N ATOM 80 NH2 ARG J 91 -17.334 -4.901 -11.200 1.00 37.30 N ATOM 81 HE ARG J 91 -19.562 -3.900 -11.359 1.00 0.00 H ATOM 82 HH12 ARG J 91 -15.565 -3.149 -11.699 1.00 0.00 H ATOM 83 HH11 ARG J 91 -16.728 -1.803 -11.981 1.00 0.00 H ATOM 84 HH22 ARG J 91 -16.358 -5.258 -11.151 1.00 0.00 H ATOM 85 HH21 ARG J 91 -18.132 -5.540 -11.008 1.00 0.00 H ATOM 86 H ARG J 91 -21.623 -2.274 -8.399 1.00 0.00 H ATOM 87 N MET J 92 -19.661 -0.826 -6.412 1.00 10.50 N ATOM 88 CA MET J 92 -19.117 -0.141 -5.252 1.00 11.67 C ATOM 89 C MET J 92 -18.067 -1.013 -4.563 1.00 16.87 C ATOM 90 O MET J 92 -17.123 -0.507 -3.964 1.00 15.26 O ATOM 91 CB MET J 92 -20.244 0.248 -4.299 1.00 15.69 C ATOM 92 CG MET J 92 -19.779 1.068 -3.131 1.00 19.19 C ATOM 93 SD MET J 92 -21.226 1.692 -2.232 1.00 20.75 S ATOM 94 CE MET J 92 -21.803 0.236 -1.392 1.00 34.52 C ATOM 95 H MET J 92 -20.672 -1.064 -6.456 1.00 0.00 H ATOM 96 N ALA J 93 -18.182 -2.335 -4.701 1.00 16.64 N ATOM 97 CA ALA J 93 -17.191 -3.227 -4.092 1.00 18.31 C ATOM 98 C ALA J 93 -15.819 -3.120 -4.756 1.00 20.22 C ATOM 99 O ALA J 93 -14.827 -3.533 -4.159 1.00 23.94 O ATOM 100 CB ALA J 93 -17.675 -4.675 -4.101 1.00 17.73 C ATOM 101 H ALA J 93 -18.976 -2.733 -5.242 1.00 0.00 H ATOM 102 N HIS J 94 -15.780 -2.573 -5.983 1.00 18.15 N ATOM 103 CA HIS J 94 -14.554 -2.410 -6.777 1.00 19.72 C ATOM 104 C HIS J 94 -13.976 -0.992 -6.825 1.00 23.16 C ATOM 105 O HIS J 94 -13.047 -0.730 -7.564 1.00 23.85 O ATOM 106 CB HIS J 94 -14.815 -2.889 -8.219 1.00 15.38 C ATOM 107 CG HIS J 94 -15.164 -4.336 -8.279 1.00 19.29 C ATOM 108 ND1 HIS J 94 -14.204 -5.316 -8.397 1.00 23.66 N ATOM 109 CD2 HIS J 94 -16.348 -4.969 -8.157 1.00 24.72 C ATOM 110 CE1 HIS J 94 -14.795 -6.500 -8.394 1.00 25.01 C ATOM 111 NE2 HIS J 94 -16.095 -6.316 -8.248 1.00 22.61 N ATOM 112 H HIS J 94 -16.675 -2.244 -6.397 1.00 0.00 H ATOM 113 N VAL J 95 -14.516 -0.075 -6.042 1.00 22.87 N ATOM 114 CA VAL J 95 -13.869 1.215 -5.917 1.00 24.33 C ATOM 115 C VAL J 95 -12.482 0.961 -5.322 1.00 22.36 C ATOM 116 O VAL J 95 -12.346 0.129 -4.426 1.00 20.62 O ATOM 117 CB VAL J 95 -14.693 2.128 -5.010 1.00 24.56 C ATOM 118 CG1 VAL J 95 -13.930 3.411 -4.666 1.00 27.13 C ATOM 119 CG2 VAL J 95 -16.042 2.418 -5.672 1.00 17.28 C ATOM 120 H VAL J 95 -15.394 -0.277 -5.522 1.00 0.00 H ATOM 121 N PRO J 96 -11.448 1.666 -5.815 1.00 23.29 N ATOM 122 CA PRO J 96 -10.105 1.490 -5.241 1.00 27.19 C ATOM 123 C PRO J 96 -10.142 1.506 -3.709 1.00 25.70 C ATOM 124 O PRO J 96 -10.748 2.407 -3.118 1.00 19.70 O ATOM 125 CB PRO J 96 -9.334 2.699 -5.777 1.00 30.26 C ATOM 126 CG PRO J 96 -10.035 3.083 -7.022 1.00 33.92 C ATOM 127 CD PRO J 96 -11.493 2.768 -6.791 1.00 30.75 C ATOM 128 N GLN J 97 -9.493 0.538 -3.071 1.00 39.23 N ATOM 129 CA GLN J 97 -9.609 0.365 -1.615 1.00 50.94 C ATOM 130 C GLN J 97 -9.315 1.628 -0.786 1.00 46.90 C ATOM 131 O GLN J 97 -9.898 1.811 0.284 1.00 49.17 O ATOM 132 CB GLN J 97 -8.712 -0.783 -1.135 1.00 64.58 C ATOM 133 CG GLN J 97 -9.022 -1.248 0.285 1.00 73.37 C ATOM 134 CD GLN J 97 -7.777 -1.674 1.054 1.00 79.76 C ATOM 135 OE1 GLN J 97 -7.452 -1.106 2.103 1.00 84.47 O ATOM 136 NE2 GLN J 97 -7.080 -2.684 0.540 1.00 77.03 N ATOM 137 HE22 GLN J 97 -7.390 -3.133 -0.345 1.00 0.00 H ATOM 138 HE21 GLN J 97 -6.225 -3.025 1.024 1.00 0.00 H ATOM 139 H GLN J 97 -8.889 -0.112 -3.613 1.00 0.00 H ATOM 140 N GLU J 98 -8.419 2.491 -1.270 1.00 46.13 N ATOM 141 CA GLU J 98 -8.116 3.766 -0.594 1.00 49.11 C ATOM 142 C GLU J 98 -9.295 4.753 -0.533 1.00 47.42 C ATOM 143 O GLU J 98 -9.290 5.701 0.251 1.00 50.34 O ATOM 144 CB GLU J 98 -6.935 4.459 -1.279 1.00 56.64 C ATOM 145 CG GLU J 98 -5.594 3.801 -1.004 1.00 72.57 C ATOM 146 CD GLU J 98 -5.183 3.887 0.458 1.00 88.22 C ATOM 147 OE1 GLU J 98 -5.686 4.782 1.171 1.00 94.47 O ATOM 148 OE2 GLU J 98 -4.359 3.055 0.895 1.00 92.87 O ATOM 149 H GLU J 98 -7.919 2.257 -2.151 1.00 0.00 H ATOM 150 N LYS J 99 -10.295 4.551 -1.375 1.00 35.00 N ATOM 151 CA LYS J 99 -11.445 5.455 -1.405 1.00 30.90 C ATOM 152 C LYS J 99 -12.732 4.738 -1.027 1.00 27.17 C ATOM 153 O LYS J 99 -13.809 5.329 -1.048 1.00 25.78 O ATOM 154 CB LYS J 99 -11.585 6.098 -2.786 1.00 39.03 C ATOM 155 CG LYS J 99 -10.379 6.918 -3.214 1.00 42.10 C ATOM 156 CD LYS J 99 -10.675 7.722 -4.470 1.00 44.14 C ATOM 157 CE LYS J 99 -9.469 8.542 -4.898 1.00 46.26 C ATOM 158 NZ LYS J 99 -9.745 9.335 -6.128 1.00 42.69 N ATOM 159 HZ1 LYS J 99 -9.994 8.691 -6.906 1.00 0.00 H ATOM 160 HZ2 LYS J 99 -10.536 9.986 -5.949 1.00 0.00 H ATOM 161 HZ3 LYS J 99 -8.897 9.879 -6.386 1.00 0.00 H ATOM 162 H LYS J 99 -10.263 3.739 -2.024 1.00 0.00 H ATOM 163 N ALA J 100 -12.645 3.458 -0.714 1.00 14.21 N ATOM 164 CA ALA J 100 -13.876 2.666 -0.666 1.00 15.60 C ATOM 165 C ALA J 100 -14.665 2.874 0.646 1.00 15.94 C ATOM 166 O ALA J 100 -15.905 2.880 0.641 1.00 12.18 O ATOM 167 CB ALA J 100 -13.560 1.180 -0.885 1.00 16.19 C ATOM 168 H ALA J 100 -11.724 3.022 -0.506 1.00 0.00 H ATOM 169 N GLY J 101 -13.964 2.993 1.769 1.00 14.34 N ATOM 170 CA GLY J 101 -14.609 2.877 3.081 1.00 11.89 C ATOM 171 C GLY J 101 -15.830 3.759 3.378 1.00 10.18 C ATOM 172 O GLY J 101 -16.950 3.279 3.657 1.00 9.55 O ATOM 173 H GLY J 101 -12.941 3.171 1.716 1.00 0.00 H ATOM 174 N PRO J 102 -15.636 5.075 3.342 1.00 10.92 N ATOM 175 CA PRO J 102 -16.706 6.025 3.662 1.00 8.58 C ATOM 176 C PRO J 102 -17.960 5.876 2.800 1.00 8.61 C ATOM 177 O PRO J 102 -19.082 5.894 3.329 1.00 7.42 O ATOM 178 CB PRO J 102 -16.028 7.394 3.498 1.00 10.35 C ATOM 179 CG PRO J 102 -14.586 7.108 3.769 1.00 17.08 C ATOM 180 CD PRO J 102 -14.333 5.735 3.161 1.00 14.04 C ATOM 181 N LEU J 103 -17.783 5.669 1.497 1.00 8.82 N ATOM 182 CA LEU J 103 -18.905 5.550 0.599 1.00 8.08 C ATOM 183 C LEU J 103 -19.658 4.271 0.920 1.00 11.16 C ATOM 184 O LEU J 103 -20.866 4.229 0.972 1.00 11.90 O ATOM 185 CB LEU J 103 -18.381 5.489 -0.825 1.00 8.98 C ATOM 186 CG LEU J 103 -19.425 5.106 -1.856 1.00 10.82 C ATOM 187 CD1 LEU J 103 -20.498 6.197 -2.031 1.00 12.83 C ATOM 188 CD2 LEU J 103 -18.700 4.796 -3.201 1.00 19.62 C ATOM 189 H LEU J 103 -16.817 5.592 1.119 1.00 0.00 H ATOM 190 N GLN J 104 -18.901 3.217 1.166 1.00 10.52 N ATOM 191 CA GLN J 104 -19.495 1.926 1.451 1.00 11.20 C ATOM 192 C GLN J 104 -20.296 1.950 2.761 1.00 6.44 C ATOM 193 O GLN J 104 -21.335 1.307 2.841 1.00 6.95 O ATOM 194 CB GLN J 104 -18.424 0.834 1.473 1.00 11.25 C ATOM 195 CG GLN J 104 -17.942 0.397 0.059 1.00 10.35 C ATOM 196 CD GLN J 104 -16.715 -0.505 0.080 1.00 13.54 C ATOM 197 OE1 GLN J 104 -16.146 -0.798 1.132 1.00 11.96 O ATOM 198 NE2 GLN J 104 -16.296 -0.930 -1.092 1.00 10.46 N ATOM 199 HE22 GLN J 104 -16.807 -0.659 -1.956 1.00 0.00 H ATOM 200 HE21 GLN J 104 -15.454 -1.537 -1.154 1.00 0.00 H ATOM 201 H GLN J 104 -17.866 3.315 1.155 1.00 0.00 H ATOM 202 N ARG J 105 -19.802 2.640 3.787 1.00 8.94 N ATOM 203 CA ARG J 105 -20.547 2.749 5.035 1.00 8.96 C ATOM 204 C ARG J 105 -21.759 3.623 4.898 1.00 7.93 C ATOM 205 O ARG J 105 -22.805 3.356 5.483 1.00 9.34 O ATOM 206 CB ARG J 105 -19.646 3.258 6.176 1.00 6.46 C ATOM 207 CG ARG J 105 -18.583 2.216 6.506 1.00 6.76 C ATOM 208 CD ARG J 105 -17.695 2.703 7.689 1.00 11.37 C ATOM 209 NE ARG J 105 -16.901 1.612 8.260 1.00 14.35 N ATOM 210 CZ ARG J 105 -15.961 1.764 9.196 1.00 15.43 C ATOM 211 NH1 ARG J 105 -15.627 2.968 9.657 1.00 12.31 N ATOM 212 NH2 ARG J 105 -15.323 0.698 9.653 1.00 16.89 N ATOM 213 HE ARG J 105 -17.083 0.649 7.911 1.00 0.00 H ATOM 214 HH12 ARG J 105 -14.891 3.060 10.386 1.00 0.00 H ATOM 215 HH11 ARG J 105 -16.102 3.816 9.288 1.00 0.00 H ATOM 216 HH22 ARG J 105 -14.589 0.804 10.382 1.00 0.00 H ATOM 217 HH21 ARG J 105 -15.556 -0.246 9.283 1.00 0.00 H ATOM 218 H ARG J 105 -18.876 3.105 3.697 1.00 0.00 H ATOM 219 N TYR J 106 -21.606 4.712 4.155 1.00 8.99 N ATOM 220 CA TYR J 106 -22.695 5.620 3.918 1.00 10.03 C ATOM 221 C TYR J 106 -23.829 4.881 3.174 1.00 13.58 C ATOM 222 O TYR J 106 -24.996 4.963 3.570 1.00 13.15 O ATOM 223 CB TYR J 106 -22.156 6.803 3.115 1.00 10.96 C ATOM 224 CG TYR J 106 -22.944 8.050 3.276 1.00 13.20 C ATOM 225 CD1 TYR J 106 -22.476 9.102 4.052 1.00 15.49 C ATOM 226 CD2 TYR J 106 -24.118 8.212 2.583 1.00 12.02 C ATOM 227 CE1 TYR J 106 -23.201 10.266 4.170 1.00 15.87 C ATOM 228 CE2 TYR J 106 -24.849 9.374 2.686 1.00 17.01 C ATOM 229 CZ TYR J 106 -24.374 10.410 3.489 1.00 19.55 C ATOM 230 OH TYR J 106 -25.090 11.593 3.591 1.00 23.88 O ATOM 231 HH TYR J 106 -24.614 12.215 4.197 1.00 0.00 H ATOM 232 H TYR J 106 -20.676 4.913 3.734 1.00 0.00 H ATOM 233 N ALA J 107 -23.494 4.095 2.149 1.00 12.01 N ATOM 234 CA ALA J 107 -24.527 3.307 1.457 1.00 8.12 C ATOM 235 C ALA J 107 -25.120 2.252 2.382 1.00 7.60 C ATOM 236 O ALA J 107 -26.334 2.026 2.367 1.00 10.46 O ATOM 237 CB ALA J 107 -23.951 2.615 0.195 1.00 15.65 C ATOM 238 H ALA J 107 -22.503 4.039 1.839 1.00 0.00 H ATOM 239 N ALA J 108 -24.273 1.573 3.158 1.00 11.10 N ATOM 240 CA ALA J 108 -24.741 0.489 4.011 1.00 9.44 C ATOM 241 C ALA J 108 -25.775 1.059 4.957 1.00 12.33 C ATOM 242 O ALA J 108 -26.775 0.427 5.261 1.00 16.21 O ATOM 243 CB ALA J 108 -23.594 -0.157 4.828 1.00 8.58 C ATOM 244 H ALA J 108 -23.263 1.822 3.154 1.00 0.00 H ATOM 245 N THR J 109 -25.473 2.229 5.501 1.00 10.83 N ATOM 246 CA THR J 109 -26.319 2.826 6.549 1.00 11.07 C ATOM 247 C THR J 109 -27.677 3.249 5.986 1.00 11.27 C ATOM 248 O THR J 109 -28.723 2.968 6.577 1.00 12.90 O ATOM 249 CB THR J 109 -25.606 4.021 7.192 1.00 9.60 C ATOM 250 OG1 THR J 109 -24.425 3.537 7.848 1.00 8.97 O ATOM 251 CG2 THR J 109 -26.513 4.682 8.207 1.00 8.67 C ATOM 252 HG1 THR J 109 -23.833 3.104 7.183 1.00 0.00 H ATOM 253 H THR J 109 -24.623 2.735 5.182 1.00 0.00 H ATOM 254 N ILE J 110 -27.673 3.870 4.808 1.00 9.72 N ATOM 255 CA ILE J 110 -28.927 4.227 4.182 1.00 10.39 C ATOM 256 C ILE J 110 -29.702 2.979 3.852 1.00 11.08 C ATOM 257 O ILE J 110 -30.879 2.901 4.143 1.00 11.47 O ATOM 258 CB ILE J 110 -28.723 5.028 2.902 1.00 11.89 C ATOM 259 CG1 ILE J 110 -28.129 6.394 3.266 1.00 8.21 C ATOM 260 CG2 ILE J 110 -30.074 5.125 2.099 1.00 11.36 C ATOM 261 CD1 ILE J 110 -27.756 7.207 2.056 1.00 9.70 C ATOM 262 H ILE J 110 -26.772 4.097 4.340 1.00 0.00 H ATOM 263 N GLN J 111 -29.041 1.964 3.309 1.00 12.27 N ATOM 264 CA GLN J 111 -29.788 0.772 2.934 1.00 13.96 C ATOM 265 C GLN J 111 -30.406 0.155 4.181 1.00 15.03 C ATOM 266 O GLN J 111 -31.568 -0.245 4.188 1.00 18.19 O ATOM 267 CB GLN J 111 -28.884 -0.233 2.245 1.00 11.08 C ATOM 268 CG GLN J 111 -29.640 -1.380 1.603 1.00 14.34 C ATOM 269 CD GLN J 111 -28.690 -2.393 0.972 1.00 16.89 C ATOM 270 OE1 GLN J 111 -27.852 -2.997 1.658 1.00 12.54 O ATOM 271 NE2 GLN J 111 -28.823 -2.587 -0.336 1.00 21.14 N ATOM 272 HE22 GLN J 111 -29.541 -2.057 -0.870 1.00 0.00 H ATOM 273 HE21 GLN J 111 -28.209 -3.269 -0.826 1.00 0.00 H ATOM 274 H GLN J 111 -28.014 2.019 3.155 1.00 0.00 H ATOM 275 N SER J 112 -29.625 0.109 5.253 1.00 12.07 N ATOM 276 CA SER J 112 -30.098 -0.495 6.475 1.00 13.47 C ATOM 277 C SER J 112 -31.276 0.272 7.083 1.00 19.67 C ATOM 278 O SER J 112 -32.272 -0.333 7.471 1.00 18.70 O ATOM 279 CB SER J 112 -28.941 -0.624 7.453 1.00 13.01 C ATOM 280 OG SER J 112 -28.163 -1.745 7.056 1.00 20.07 O ATOM 281 HG SER J 112 -27.400 -1.853 7.678 1.00 0.00 H ATOM 282 H SER J 112 -28.667 0.511 5.212 1.00 0.00 H ATOM 283 N GLN J 113 -31.157 1.593 7.138 1.00 18.54 N ATOM 284 CA GLN J 113 -32.195 2.464 7.689 1.00 16.64 C ATOM 285 C GLN J 113 -33.514 2.340 6.946 1.00 19.01 C ATOM 286 O GLN J 113 -34.580 2.466 7.548 1.00 21.46 O ATOM 287 CB GLN J 113 -31.740 3.910 7.638 1.00 14.28 C ATOM 288 CG GLN J 113 -30.608 4.232 8.615 1.00 19.24 C ATOM 289 CD GLN J 113 -30.061 5.625 8.366 1.00 24.35 C ATOM 290 OE1 GLN J 113 -29.885 6.034 7.221 1.00 28.06 O ATOM 291 NE2 GLN J 113 -29.771 6.343 9.423 1.00 29.64 N ATOM 292 HE22 GLN J 113 -29.936 5.958 10.375 1.00 0.00 H ATOM 293 HE21 GLN J 113 -29.376 7.298 9.310 1.00 0.00 H ATOM 294 H GLN J 113 -30.286 2.028 6.773 1.00 0.00 H ATOM 295 N ARG J 114 -33.435 2.112 5.638 1.00 14.90 N ATOM 296 CA ARG J 114 -34.632 1.850 4.838 1.00 18.07 C ATOM 297 C ARG J 114 -35.164 0.441 4.953 1.00 21.82 C ATOM 298 O ARG J 114 -36.276 0.172 4.484 1.00 19.99 O ATOM 299 CB ARG J 114 -34.371 2.105 3.360 1.00 14.84 C ATOM 300 CG ARG J 114 -33.907 3.511 3.058 1.00 12.08 C ATOM 301 CD ARG J 114 -33.711 3.677 1.556 1.00 9.89 C ATOM 302 NE ARG J 114 -33.285 5.013 1.170 1.00 12.99 N ATOM 303 CZ ARG J 114 -33.003 5.350 -0.081 1.00 11.23 C ATOM 304 NH1 ARG J 114 -33.116 4.446 -1.046 1.00 11.13 N ATOM 305 NH2 ARG J 114 -32.605 6.568 -0.374 1.00 10.93 N ATOM 306 HE ARG J 114 -33.197 5.738 1.910 1.00 0.00 H ATOM 307 HH12 ARG J 114 -32.896 4.705 -2.029 1.00 0.00 H ATOM 308 HH11 ARG J 114 -33.424 3.479 -0.819 1.00 0.00 H ATOM 309 HH22 ARG J 114 -32.387 6.821 -1.359 1.00 0.00 H ATOM 310 HH21 ARG J 114 -32.508 7.279 0.379 1.00 0.00 H ATOM 311 H ARG J 114 -32.504 2.120 5.175 1.00 0.00 H ATOM 312 N GLY J 115 -34.378 -0.462 5.531 1.00 16.24 N ATOM 313 CA GLY J 115 -34.761 -1.864 5.574 1.00 16.19 C ATOM 314 C GLY J 115 -34.658 -2.576 4.219 1.00 20.04 C ATOM 315 O GLY J 115 -35.342 -3.576 3.998 1.00 23.27 O ATOM 316 H GLY J 115 -33.478 -0.162 5.958 1.00 0.00 H ATOM 317 N ASP J 116 -33.846 -2.055 3.298 1.00 21.57 N ATOM 318 CA ASP J 116 -33.684 -2.653 1.963 1.00 21.30 C ATOM 319 C ASP J 116 -32.467 -3.600 1.889 1.00 18.34 C ATOM 320 O ASP J 116 -31.633 -3.509 0.973 1.00 16.64 O ATOM 321 CB ASP J 116 -33.569 -1.529 0.920 1.00 23.03 C ATOM 322 CG ASP J 116 -33.780 -2.005 -0.509 1.00 27.00 C ATOM 323 OD1 ASP J 116 -34.358 -3.095 -0.743 1.00 25.01 O ATOM 324 OD2 ASP J 116 -33.393 -1.242 -1.417 1.00 24.48 O ATOM 325 H ASP J 116 -33.308 -1.196 3.531 1.00 0.00 H ATOM 326 N TYR J 117 -32.404 -4.551 2.821 1.00 15.30 N ATOM 327 CA TYR J 117 -31.180 -5.328 3.051 1.00 18.83 C ATOM 328 C TYR J 117 -30.749 -6.095 1.805 1.00 23.38 C ATOM 329 O TYR J 117 -29.562 -6.331 1.608 1.00 26.89 O ATOM 330 CB TYR J 117 -31.357 -6.271 4.255 1.00 23.95 C ATOM 331 CG TYR J 117 -31.994 -5.582 5.443 1.00 29.60 C ATOM 332 CD1 TYR J 117 -31.233 -4.812 6.327 1.00 33.98 C ATOM 333 CD2 TYR J 117 -33.360 -5.673 5.662 1.00 35.54 C ATOM 334 CE1 TYR J 117 -31.826 -4.171 7.411 1.00 27.27 C ATOM 335 CE2 TYR J 117 -33.960 -5.037 6.732 1.00 36.50 C ATOM 336 CZ TYR J 117 -33.194 -4.284 7.597 1.00 32.39 C ATOM 337 OH TYR J 117 -33.820 -3.643 8.640 1.00 31.52 O ATOM 338 HH TYR J 117 -34.492 -3.011 8.282 1.00 0.00 H ATOM 339 H TYR J 117 -33.245 -4.748 3.401 1.00 0.00 H ATOM 340 N ASN J 118 -31.701 -6.458 0.947 1.00 21.67 N ATOM 341 CA ASN J 118 -31.373 -7.288 -0.217 1.00 23.53 C ATOM 342 C ASN J 118 -31.173 -6.513 -1.519 1.00 21.54 C ATOM 343 O ASN J 118 -30.991 -7.120 -2.575 1.00 24.37 O ATOM 344 CB ASN J 118 -32.470 -8.336 -0.437 1.00 25.25 C ATOM 345 CG ASN J 118 -32.524 -9.369 0.670 1.00 35.75 C ATOM 346 OD1 ASN J 118 -31.571 -9.536 1.438 1.00 40.43 O ATOM 347 ND2 ASN J 118 -33.643 -10.082 0.750 1.00 39.51 N ATOM 348 HD22 ASN J 118 -34.420 -9.907 0.082 1.00 0.00 H ATOM 349 HD21 ASN J 118 -33.741 -10.815 1.481 1.00 0.00 H ATOM 350 H ASN J 118 -32.682 -6.151 1.103 1.00 0.00 H ATOM 351 N GLY J 119 -31.204 -5.184 -1.454 1.00 16.67 N ATOM 352 CA GLY J 119 -31.093 -4.361 -2.646 1.00 15.37 C ATOM 353 C GLY J 119 -29.739 -4.475 -3.345 1.00 16.02 C ATOM 354 O GLY J 119 -28.714 -4.696 -2.698 1.00 18.11 O ATOM 355 H GLY J 119 -31.310 -4.724 -0.528 1.00 0.00 H ATOM 356 N LYS J 120 -29.741 -4.341 -4.673 1.00 18.91 N ATOM 357 CA LYS J 120 -28.519 -4.320 -5.478 1.00 17.65 C ATOM 358 C LYS J 120 -28.148 -2.898 -5.954 1.00 16.40 C ATOM 359 O LYS J 120 -27.022 -2.646 -6.425 1.00 15.19 O ATOM 360 CB LYS J 120 -28.699 -5.204 -6.717 1.00 26.80 C ATOM 361 CG LYS J 120 -28.400 -6.684 -6.517 1.00 38.62 C ATOM 362 CD LYS J 120 -29.307 -7.346 -5.515 1.00 46.61 C ATOM 363 CE LYS J 120 -28.935 -8.814 -5.350 1.00 50.60 C ATOM 364 NZ LYS J 120 -29.800 -9.514 -4.363 1.00 55.07 N ATOM 365 HZ1 LYS J 120 -29.708 -9.054 -3.435 1.00 0.00 H ATOM 366 HZ2 LYS J 120 -30.790 -9.468 -4.677 1.00 0.00 H ATOM 367 HZ3 LYS J 120 -29.505 -10.508 -4.289 1.00 0.00 H ATOM 368 H LYS J 120 -30.655 -4.247 -5.159 1.00 0.00 H ATOM 369 N VAL J 121 -29.112 -1.981 -5.869 1.00 11.43 N ATOM 370 CA VAL J 121 -28.857 -0.595 -6.221 1.00 14.68 C ATOM 371 C VAL J 121 -29.484 0.274 -5.159 1.00 16.82 C ATOM 372 O VAL J 121 -30.365 -0.167 -4.432 1.00 15.23 O ATOM 373 CB VAL J 121 -29.419 -0.223 -7.601 1.00 18.71 C ATOM 374 CG1 VAL J 121 -28.662 -0.999 -8.722 1.00 15.55 C ATOM 375 CG2 VAL J 121 -30.922 -0.466 -7.643 1.00 21.39 C ATOM 376 H VAL J 121 -30.060 -2.262 -5.546 1.00 0.00 H ATOM 377 N LEU J 122 -29.045 1.519 -5.060 1.00 17.55 N ATOM 378 CA LEU J 122 -29.521 2.369 -3.954 1.00 13.60 C ATOM 379 C LEU J 122 -29.576 3.810 -4.415 1.00 15.26 C ATOM 380 O LEU J 122 -28.536 4.382 -4.748 1.00 15.52 O ATOM 381 CB LEU J 122 -28.543 2.275 -2.783 1.00 15.12 C ATOM 382 CG LEU J 122 -28.953 3.052 -1.528 1.00 15.29 C ATOM 383 CD1 LEU J 122 -30.154 2.402 -0.858 1.00 13.39 C ATOM 384 CD2 LEU J 122 -27.759 3.162 -0.547 1.00 16.12 C ATOM 385 H LEU J 122 -28.370 1.894 -5.757 1.00 0.00 H ATOM 386 N SER J 123 -30.783 4.357 -4.511 1.00 12.86 N ATOM 387 CA SER J 123 -30.976 5.798 -4.783 1.00 13.53 C ATOM 388 C SER J 123 -30.535 6.559 -3.536 1.00 17.85 C ATOM 389 O SER J 123 -30.702 6.060 -2.440 1.00 16.87 O ATOM 390 CB SER J 123 -32.451 6.082 -5.071 1.00 18.65 C ATOM 391 OG SER J 123 -33.284 5.606 -4.012 1.00 21.84 O ATOM 392 HG SER J 123 -34.231 5.803 -4.225 1.00 0.00 H ATOM 393 H SER J 123 -31.620 3.752 -4.391 1.00 0.00 H ATOM 394 N ILE J 124 -29.952 7.746 -3.694 1.00 15.34 N ATOM 395 CA ILE J 124 -29.571 8.577 -2.533 1.00 10.58 C ATOM 396 C ILE J 124 -30.062 10.004 -2.731 1.00 9.11 C ATOM 397 O ILE J 124 -30.427 10.408 -3.845 1.00 10.40 O ATOM 398 CB ILE J 124 -28.034 8.576 -2.299 1.00 11.76 C ATOM 399 CG1 ILE J 124 -27.302 9.143 -3.514 1.00 12.89 C ATOM 400 CG2 ILE J 124 -27.570 7.164 -1.999 1.00 8.47 C ATOM 401 CD1 ILE J 124 -25.796 9.252 -3.317 1.00 14.67 C ATOM 402 H ILE J 124 -29.761 8.095 -4.655 1.00 0.00 H ATOM 403 N ARG J 125 -30.096 10.781 -1.649 1.00 9.85 N ATOM 404 CA ARG J 125 -30.492 12.187 -1.735 1.00 13.64 C ATOM 405 C ARG J 125 -29.427 13.053 -2.400 1.00 12.46 C ATOM 406 O ARG J 125 -28.234 12.828 -2.246 1.00 13.22 O ATOM 407 CB ARG J 125 -30.763 12.746 -0.335 1.00 12.10 C ATOM 408 CG ARG J 125 -31.851 11.950 0.388 1.00 9.70 C ATOM 409 CD ARG J 125 -32.169 12.555 1.743 1.00 12.71 C ATOM 410 NE ARG J 125 -33.191 11.741 2.393 1.00 14.88 N ATOM 411 CZ ARG J 125 -33.592 11.889 3.645 1.00 14.57 C ATOM 412 NH1 ARG J 125 -33.074 12.849 4.402 1.00 15.73 N ATOM 413 NH2 ARG J 125 -34.538 11.082 4.133 1.00 17.01 N ATOM 414 HE ARG J 125 -33.637 10.989 1.830 1.00 0.00 H ATOM 415 HH12 ARG J 125 -33.391 12.963 5.386 1.00 0.00 H ATOM 416 HH11 ARG J 125 -32.351 13.487 4.011 1.00 0.00 H ATOM 417 HH22 ARG J 125 -34.859 11.192 5.116 1.00 0.00 H ATOM 418 HH21 ARG J 125 -34.954 10.344 3.530 1.00 0.00 H ATOM 419 H ARG J 125 -29.836 10.380 -0.725 1.00 0.00 H ATOM 420 N GLN J 126 -29.859 14.068 -3.110 1.00 12.30 N ATOM 421 CA GLN J 126 -28.931 15.093 -3.570 1.00 14.67 C ATOM 422 C GLN J 126 -28.068 15.600 -2.414 1.00 13.27 C ATOM 423 O GLN J 126 -26.871 15.771 -2.604 1.00 10.23 O ATOM 424 CB GLN J 126 -29.691 16.250 -4.233 1.00 22.22 C ATOM 425 CG GLN J 126 -30.178 15.960 -5.658 1.00 36.49 C ATOM 426 CD GLN J 126 -29.099 16.112 -6.728 1.00 45.48 C ATOM 427 OE1 GLN J 126 -29.118 15.406 -7.739 1.00 52.42 O ATOM 428 NE2 GLN J 126 -28.165 17.032 -6.516 1.00 44.90 N ATOM 429 HE22 GLN J 126 -28.187 17.606 -5.649 1.00 0.00 H ATOM 430 HE21 GLN J 126 -27.411 17.179 -7.217 1.00 0.00 H ATOM 431 H GLN J 126 -30.869 14.142 -3.346 1.00 0.00 H ATOM 432 N ASP J 127 -28.659 15.828 -1.230 1.00 12.09 N ATOM 433 CA ASP J 127 -27.883 16.307 -0.083 1.00 15.78 C ATOM 434 C ASP J 127 -26.796 15.301 0.281 1.00 17.99 C ATOM 435 O ASP J 127 -25.789 15.663 0.871 1.00 15.27 O ATOM 436 CB ASP J 127 -28.762 16.488 1.156 1.00 27.71 C ATOM 437 CG ASP J 127 -29.824 17.558 0.977 1.00 39.76 C ATOM 438 OD1 ASP J 127 -29.510 18.640 0.429 1.00 34.55 O ATOM 439 OD2 ASP J 127 -30.980 17.304 1.387 1.00 48.64 O ATOM 440 H ASP J 127 -29.680 15.663 -1.126 1.00 0.00 H ATOM 441 N ASP J 128 -27.041 14.026 -0.003 1.00 15.55 N ATOM 442 CA ASP J 128 -26.035 12.995 0.284 1.00 11.00 C ATOM 443 C ASP J 128 -24.827 13.110 -0.620 1.00 13.78 C ATOM 444 O ASP J 128 -23.716 12.811 -0.199 1.00 11.50 O ATOM 445 CB ASP J 128 -26.615 11.601 0.118 1.00 7.93 C ATOM 446 CG ASP J 128 -27.664 11.294 1.147 1.00 14.60 C ATOM 447 OD1 ASP J 128 -27.494 11.691 2.320 1.00 12.65 O ATOM 448 OD2 ASP J 128 -28.655 10.659 0.765 1.00 15.85 O ATOM 449 H ASP J 128 -27.950 13.757 -0.431 1.00 0.00 H ATOM 450 N LEU J 129 -25.041 13.489 -1.873 1.00 10.36 N ATOM 451 CA LEU J 129 -23.898 13.635 -2.779 1.00 15.31 C ATOM 452 C LEU J 129 -23.056 14.826 -2.296 1.00 9.69 C ATOM 453 O LEU J 129 -21.816 14.760 -2.285 1.00 13.13 O ATOM 454 CB LEU J 129 -24.360 13.812 -4.227 1.00 16.87 C ATOM 455 CG LEU J 129 -23.303 13.873 -5.342 1.00 21.03 C ATOM 456 CD1 LEU J 129 -22.423 12.652 -5.432 1.00 16.04 C ATOM 457 CD2 LEU J 129 -24.029 14.027 -6.667 1.00 25.05 C ATOM 458 H LEU J 129 -26.007 13.680 -2.208 1.00 0.00 H ATOM 459 N ARG J 130 -23.717 15.909 -1.881 1.00 9.60 N ATOM 460 CA ARG J 130 -22.969 17.054 -1.354 1.00 12.68 C ATOM 461 C ARG J 130 -22.213 16.662 -0.075 1.00 11.57 C ATOM 462 O ARG J 130 -21.122 17.148 0.184 1.00 10.66 O ATOM 463 CB ARG J 130 -23.882 18.251 -1.086 1.00 11.72 C ATOM 464 CG ARG J 130 -24.281 19.032 -2.343 1.00 22.44 C ATOM 465 CD ARG J 130 -23.125 19.932 -2.881 1.00 30.06 C ATOM 466 NE ARG J 130 -22.674 20.915 -1.891 1.00 34.39 N ATOM 467 CZ ARG J 130 -23.215 22.123 -1.720 1.00 37.86 C ATOM 468 NH1 ARG J 130 -24.227 22.525 -2.483 1.00 35.19 N ATOM 469 NH2 ARG J 130 -22.740 22.938 -0.791 1.00 41.09 N ATOM 470 HE ARG J 130 -21.876 20.652 -1.278 1.00 0.00 H ATOM 471 HH12 ARG J 130 -24.642 23.468 -2.342 1.00 0.00 H ATOM 472 HH11 ARG J 130 -24.604 21.896 -3.221 1.00 0.00 H ATOM 473 HH22 ARG J 130 -23.163 23.879 -0.659 1.00 0.00 H ATOM 474 HH21 ARG J 130 -21.944 22.637 -0.193 1.00 0.00 H ATOM 475 H ARG J 130 -24.755 15.940 -1.931 1.00 0.00 H ATOM 476 N THR J 131 -22.820 15.832 0.756 1.00 10.45 N ATOM 477 CA THR J 131 -22.124 15.382 1.983 1.00 12.08 C ATOM 478 C THR J 131 -20.933 14.492 1.593 1.00 9.03 C ATOM 479 O THR J 131 -19.860 14.615 2.146 1.00 11.04 O ATOM 480 CB THR J 131 -23.089 14.616 2.878 1.00 14.69 C ATOM 481 OG1 THR J 131 -24.100 15.518 3.336 1.00 16.01 O ATOM 482 CG2 THR J 131 -22.353 14.020 4.090 1.00 16.11 C ATOM 483 HG1 THR J 131 -24.735 15.032 3.920 1.00 0.00 H ATOM 484 H THR J 131 -23.782 15.497 0.549 1.00 0.00 H ATOM 485 N LEU J 132 -21.126 13.603 0.617 1.00 6.05 N ATOM 486 CA LEU J 132 -20.022 12.764 0.184 1.00 6.92 C ATOM 487 C LEU J 132 -18.865 13.604 -0.362 1.00 12.15 C ATOM 488 O LEU J 132 -17.712 13.252 -0.145 1.00 10.37 O ATOM 489 CB LEU J 132 -20.470 11.704 -0.849 1.00 7.26 C ATOM 490 CG LEU J 132 -21.283 10.610 -0.147 1.00 7.06 C ATOM 491 CD1 LEU J 132 -22.079 9.879 -1.203 1.00 10.58 C ATOM 492 CD2 LEU J 132 -20.417 9.629 0.663 1.00 5.01 C ATOM 493 H LEU J 132 -22.060 13.511 0.169 1.00 0.00 H ATOM 494 N ALA J 133 -19.164 14.702 -1.067 1.00 9.29 N ATOM 495 CA ALA J 133 -18.127 15.584 -1.596 1.00 9.82 C ATOM 496 C ALA J 133 -17.292 16.145 -0.452 1.00 13.61 C ATOM 497 O ALA J 133 -16.078 16.255 -0.576 1.00 21.05 O ATOM 498 CB ALA J 133 -18.745 16.721 -2.423 1.00 9.63 C ATOM 499 H ALA J 133 -20.163 14.933 -1.243 1.00 0.00 H ATOM 500 N VAL J 134 -17.942 16.497 0.654 1.00 9.48 N ATOM 501 CA VAL J 134 -17.204 16.960 1.849 1.00 10.39 C ATOM 502 C VAL J 134 -16.308 15.853 2.406 1.00 11.97 C ATOM 503 O VAL J 134 -15.091 16.035 2.584 1.00 10.45 O ATOM 504 CB VAL J 134 -18.186 17.531 2.915 1.00 15.56 C ATOM 505 CG1 VAL J 134 -17.513 17.847 4.235 1.00 10.16 C ATOM 506 CG2 VAL J 134 -18.864 18.791 2.384 1.00 19.56 C ATOM 507 H VAL J 134 -18.980 16.446 0.679 1.00 0.00 H ATOM 508 N ILE J 135 -16.910 14.699 2.690 1.00 8.61 N ATOM 509 CA ILE J 135 -16.159 13.543 3.176 1.00 10.06 C ATOM 510 C ILE J 135 -14.918 13.239 2.331 1.00 11.35 C ATOM 511 O ILE J 135 -13.852 12.957 2.888 1.00 12.66 O ATOM 512 CB ILE J 135 -17.086 12.288 3.226 1.00 11.07 C ATOM 513 CG1 ILE J 135 -18.198 12.476 4.266 1.00 15.86 C ATOM 514 CG2 ILE J 135 -16.249 11.006 3.502 1.00 11.75 C ATOM 515 CD1 ILE J 135 -19.393 11.459 4.138 1.00 10.97 C ATOM 516 H ILE J 135 -17.939 14.619 2.563 1.00 0.00 H ATOM 517 N TYR J 136 -15.068 13.298 1.001 1.00 9.57 N ATOM 518 CA TYR J 136 -14.000 12.935 0.065 1.00 8.43 C ATOM 519 C TYR J 136 -13.099 14.137 -0.287 1.00 10.92 C ATOM 520 O TYR J 136 -12.135 14.001 -1.029 1.00 12.56 O ATOM 521 CB TYR J 136 -14.588 12.275 -1.205 1.00 5.59 C ATOM 522 CG TYR J 136 -14.857 10.814 -0.930 1.00 11.37 C ATOM 523 CD1 TYR J 136 -16.113 10.384 -0.545 1.00 11.82 C ATOM 524 CD2 TYR J 136 -13.819 9.881 -0.974 1.00 11.59 C ATOM 525 CE1 TYR J 136 -16.360 9.043 -0.272 1.00 12.12 C ATOM 526 CE2 TYR J 136 -14.051 8.534 -0.710 1.00 13.92 C ATOM 527 CZ TYR J 136 -15.329 8.131 -0.338 1.00 16.49 C ATOM 528 OH TYR J 136 -15.565 6.810 -0.039 1.00 17.24 O ATOM 529 HH TYR J 136 -15.354 6.251 -0.829 1.00 0.00 H ATOM 530 H TYR J 136 -15.981 13.615 0.616 1.00 0.00 H ATOM 531 N ASP J 137 -13.418 15.298 0.279 1.00 8.44 N ATOM 532 CA ASP J 137 -12.719 16.539 -0.069 1.00 9.66 C ATOM 533 C ASP J 137 -12.549 16.668 -1.573 1.00 11.53 C ATOM 534 O ASP J 137 -11.436 16.859 -2.081 1.00 10.32 O ATOM 535 CB ASP J 137 -11.355 16.582 0.631 1.00 10.90 C ATOM 536 CG ASP J 137 -10.702 17.973 0.572 1.00 16.39 C ATOM 537 OD1 ASP J 137 -11.438 18.983 0.485 1.00 17.84 O ATOM 538 OD2 ASP J 137 -9.454 18.055 0.641 1.00 15.10 O ATOM 539 H ASP J 137 -14.181 15.326 0.985 1.00 0.00 H ATOM 540 N GLN J 138 -13.670 16.608 -2.297 1.00 9.00 N ATOM 541 CA GLN J 138 -13.658 16.840 -3.751 1.00 10.26 C ATOM 542 C GLN J 138 -14.673 17.885 -4.127 1.00 13.95 C ATOM 543 O GLN J 138 -15.691 18.077 -3.434 1.00 9.44 O ATOM 544 CB GLN J 138 -14.062 15.556 -4.477 1.00 7.17 C ATOM 545 CG GLN J 138 -13.065 14.409 -4.343 1.00 8.22 C ATOM 546 CD GLN J 138 -11.799 14.617 -5.152 1.00 10.98 C ATOM 547 OE1 GLN J 138 -11.765 15.462 -6.034 1.00 11.56 O ATOM 548 NE2 GLN J 138 -10.765 13.807 -4.889 1.00 11.01 N ATOM 549 HE22 GLN J 138 -10.838 13.101 -4.128 1.00 0.00 H ATOM 550 HE21 GLN J 138 -9.890 13.884 -5.445 1.00 0.00 H ATOM 551 H GLN J 138 -14.571 16.393 -1.824 1.00 0.00 H ATOM 552 N SER J 139 -14.446 18.546 -5.252 1.00 11.28 N ATOM 553 CA SER J 139 -15.546 19.267 -5.854 1.00 10.63 C ATOM 554 C SER J 139 -16.663 18.282 -6.186 1.00 12.42 C ATOM 555 O SER J 139 -16.410 17.152 -6.631 1.00 13.19 O ATOM 556 CB SER J 139 -15.060 19.936 -7.132 1.00 15.18 C ATOM 557 OG SER J 139 -16.160 20.257 -7.956 1.00 19.99 O ATOM 558 HG SER J 139 -15.835 20.691 -8.784 1.00 0.00 H ATOM 559 H SER J 139 -13.503 18.547 -5.690 1.00 0.00 H ATOM 560 N PRO J 140 -17.921 18.676 -5.969 1.00 13.00 N ATOM 561 CA PRO J 140 -18.979 17.740 -6.362 1.00 11.65 C ATOM 562 C PRO J 140 -18.872 17.293 -7.816 1.00 15.33 C ATOM 563 O PRO J 140 -19.133 16.147 -8.078 1.00 16.35 O ATOM 564 CB PRO J 140 -20.266 18.571 -6.165 1.00 12.15 C ATOM 565 CG PRO J 140 -19.916 19.465 -4.987 1.00 8.62 C ATOM 566 CD PRO J 140 -18.445 19.831 -5.216 1.00 11.45 C ATOM 567 N SER J 141 -18.489 18.170 -8.739 1.00 13.26 N ATOM 568 CA SER J 141 -18.361 17.755 -10.146 1.00 11.61 C ATOM 569 C SER J 141 -17.327 16.657 -10.298 1.00 8.83 C ATOM 570 O SER J 141 -17.522 15.710 -11.077 1.00 9.79 O ATOM 571 CB SER J 141 -17.977 18.956 -11.041 1.00 20.63 C ATOM 572 OG SER J 141 -16.768 19.541 -10.596 1.00 38.59 O ATOM 573 HG SER J 141 -16.879 19.857 -9.664 1.00 0.00 H ATOM 574 H SER J 141 -18.279 19.152 -8.467 1.00 0.00 H ATOM 575 N VAL J 142 -16.211 16.809 -9.590 1.00 9.93 N ATOM 576 CA VAL J 142 -15.142 15.822 -9.634 1.00 8.53 C ATOM 577 C VAL J 142 -15.625 14.525 -9.019 1.00 12.38 C ATOM 578 O VAL J 142 -15.451 13.473 -9.615 1.00 12.88 O ATOM 579 CB VAL J 142 -13.836 16.301 -8.951 1.00 9.61 C ATOM 580 CG1 VAL J 142 -12.774 15.168 -8.996 1.00 11.85 C ATOM 581 CG2 VAL J 142 -13.323 17.551 -9.683 1.00 10.02 C ATOM 582 H VAL J 142 -16.100 17.652 -8.991 1.00 0.00 H ATOM 583 N LEU J 143 -16.223 14.570 -7.829 1.00 8.97 N ATOM 584 CA LEU J 143 -16.661 13.301 -7.225 1.00 11.93 C ATOM 585 C LEU J 143 -17.719 12.591 -8.102 1.00 16.93 C ATOM 586 O LEU J 143 -17.738 11.365 -8.257 1.00 10.93 O ATOM 587 CB LEU J 143 -17.255 13.539 -5.835 1.00 8.52 C ATOM 588 CG LEU J 143 -17.740 12.257 -5.155 1.00 14.39 C ATOM 589 CD1 LEU J 143 -16.594 11.291 -4.907 1.00 10.68 C ATOM 590 CD2 LEU J 143 -18.479 12.580 -3.828 1.00 11.33 C ATOM 591 H LEU J 143 -16.376 15.476 -7.341 1.00 0.00 H ATOM 592 N THR J 144 -18.608 13.370 -8.684 1.00 8.12 N ATOM 593 CA THR J 144 -19.632 12.777 -9.525 1.00 10.63 C ATOM 594 C THR J 144 -18.954 12.068 -10.669 1.00 11.59 C ATOM 595 O THR J 144 -19.289 10.947 -10.984 1.00 11.53 O ATOM 596 CB THR J 144 -20.585 13.845 -10.075 1.00 9.52 C ATOM 597 OG1 THR J 144 -21.271 14.425 -8.964 1.00 9.60 O ATOM 598 CG2 THR J 144 -21.599 13.240 -11.037 1.00 7.71 C ATOM 599 HG1 THR J 144 -20.613 14.834 -8.348 1.00 0.00 H ATOM 600 H THR J 144 -18.576 14.400 -8.542 1.00 0.00 H ATOM 601 N GLU J 145 -17.967 12.718 -11.268 1.00 13.08 N ATOM 602 CA GLU J 145 -17.327 12.122 -12.428 1.00 11.27 C ATOM 603 C GLU J 145 -16.537 10.887 -11.986 1.00 12.59 C ATOM 604 O GLU J 145 -16.498 9.880 -12.709 1.00 14.54 O ATOM 605 CB GLU J 145 -16.430 13.127 -13.158 1.00 13.50 C ATOM 606 CG GLU J 145 -15.683 12.492 -14.306 1.00 19.17 C ATOM 607 CD GLU J 145 -16.602 12.168 -15.467 1.00 27.80 C ATOM 608 OE1 GLU J 145 -17.786 12.578 -15.428 1.00 29.46 O ATOM 609 OE2 GLU J 145 -16.149 11.495 -16.411 1.00 36.02 O ATOM 610 H GLU J 145 -17.654 13.644 -10.912 1.00 0.00 H ATOM 611 N GLN J 146 -15.942 10.933 -10.788 1.00 13.09 N ATOM 612 CA GLN J 146 -15.228 9.751 -10.295 1.00 11.29 C ATOM 613 C GLN J 146 -16.145 8.562 -10.148 1.00 11.27 C ATOM 614 O GLN J 146 -15.818 7.449 -10.591 1.00 13.03 O ATOM 615 CB GLN J 146 -14.597 10.045 -8.945 1.00 11.77 C ATOM 616 CG GLN J 146 -13.388 10.986 -9.093 1.00 14.59 C ATOM 617 CD GLN J 146 -12.873 11.493 -7.766 1.00 13.04 C ATOM 618 OE1 GLN J 146 -13.643 11.723 -6.817 1.00 10.73 O ATOM 619 NE2 GLN J 146 -11.550 11.677 -7.687 1.00 15.21 N ATOM 620 HE22 GLN J 146 -10.946 11.471 -8.508 1.00 0.00 H ATOM 621 HE21 GLN J 146 -11.125 12.027 -6.804 1.00 0.00 H ATOM 622 H GLN J 146 -15.986 11.798 -10.213 1.00 0.00 H ATOM 623 N LEU J 147 -17.275 8.788 -9.481 1.00 10.71 N ATOM 624 CA LEU J 147 -18.237 7.729 -9.226 1.00 9.30 C ATOM 625 C LEU J 147 -18.823 7.177 -10.535 1.00 9.15 C ATOM 626 O LEU J 147 -19.043 5.980 -10.649 1.00 14.23 O ATOM 627 CB LEU J 147 -19.382 8.194 -8.299 1.00 13.50 C ATOM 628 CG LEU J 147 -19.064 8.558 -6.837 1.00 10.50 C ATOM 629 CD1 LEU J 147 -20.250 9.308 -6.267 1.00 8.24 C ATOM 630 CD2 LEU J 147 -18.794 7.316 -6.035 1.00 10.65 C ATOM 631 H LEU J 147 -17.474 9.748 -9.133 1.00 0.00 H ATOM 632 N ILE J 148 -19.049 8.032 -11.520 1.00 7.94 N ATOM 633 CA ILE J 148 -19.442 7.535 -12.843 1.00 14.21 C ATOM 634 C ILE J 148 -18.333 6.685 -13.500 1.00 15.48 C ATOM 635 O ILE J 148 -18.620 5.632 -14.078 1.00 17.47 O ATOM 636 CB ILE J 148 -19.892 8.693 -13.781 1.00 6.15 C ATOM 637 CG1 ILE J 148 -21.189 9.307 -13.257 1.00 10.86 C ATOM 638 CG2 ILE J 148 -20.079 8.197 -15.230 1.00 10.59 C ATOM 639 CD1 ILE J 148 -21.474 10.689 -13.852 1.00 15.52 C ATOM 640 H ILE J 148 -18.948 9.054 -11.356 1.00 0.00 H ATOM 641 N SER J 149 -17.079 7.102 -13.383 1.00 11.97 N ATOM 642 CA SER J 149 -15.951 6.351 -13.979 1.00 17.73 C ATOM 643 C SER J 149 -15.738 4.959 -13.368 1.00 19.26 C ATOM 644 O SER J 149 -15.368 3.998 -14.063 1.00 15.57 O ATOM 645 CB SER J 149 -14.669 7.167 -13.855 1.00 22.66 C ATOM 646 OG SER J 149 -14.728 8.253 -14.743 1.00 31.07 O ATOM 647 HG SER J 149 -15.508 8.820 -14.518 1.00 0.00 H ATOM 648 H SER J 149 -16.883 7.979 -12.859 1.00 0.00 H ATOM 649 N TRP J 150 -15.967 4.861 -12.063 1.00 16.72 N ATOM 650 CA TRP J 150 -15.979 3.589 -11.344 1.00 15.60 C ATOM 651 C TRP J 150 -17.245 2.769 -11.594 1.00 12.27 C ATOM 652 O TRP J 150 -17.370 1.629 -11.108 1.00 16.91 O ATOM 653 CB TRP J 150 -15.899 3.845 -9.836 1.00 10.48 C ATOM 654 CG TRP J 150 -14.675 4.542 -9.361 1.00 17.94 C ATOM 655 CD1 TRP J 150 -13.419 4.485 -9.900 1.00 28.55 C ATOM 656 CD2 TRP J 150 -14.586 5.403 -8.219 1.00 19.40 C ATOM 657 NE1 TRP J 150 -12.555 5.260 -9.156 1.00 29.33 N ATOM 658 CE2 TRP J 150 -13.248 5.834 -8.122 1.00 25.71 C ATOM 659 CE3 TRP J 150 -15.506 5.860 -7.283 1.00 17.70 C ATOM 660 CZ2 TRP J 150 -12.815 6.701 -7.112 1.00 20.99 C ATOM 661 CZ3 TRP J 150 -15.070 6.714 -6.275 1.00 20.85 C ATOM 662 CH2 TRP J 150 -13.743 7.126 -6.204 1.00 20.66 C ATOM 663 HE1 TRP J 150 -11.541 5.388 -9.348 1.00 0.00 H ATOM 664 H TRP J 150 -16.147 5.733 -11.526 1.00 0.00 H ATOM 665 N GLY J 151 -18.206 3.326 -12.326 1.00 12.28 N ATOM 666 CA GLY J 151 -19.414 2.576 -12.649 1.00 11.87 C ATOM 667 C GLY J 151 -20.422 2.535 -11.511 1.00 14.70 C ATOM 668 O GLY J 151 -21.398 1.780 -11.561 1.00 11.44 O ATOM 669 H GLY J 151 -18.095 4.301 -12.670 1.00 0.00 H ATOM 670 N VAL J 152 -20.167 3.337 -10.477 1.00 12.97 N ATOM 671 CA VAL J 152 -21.036 3.327 -9.302 1.00 10.51 C ATOM 672 C VAL J 152 -22.267 4.220 -9.545 1.00 10.94 C ATOM 673 O VAL J 152 -23.400 3.845 -9.240 1.00 15.85 O ATOM 674 CB VAL J 152 -20.236 3.771 -8.051 1.00 13.93 C ATOM 675 CG1 VAL J 152 -21.184 3.982 -6.903 1.00 15.99 C ATOM 676 CG2 VAL J 152 -19.134 2.722 -7.702 1.00 12.23 C ATOM 677 H VAL J 152 -19.345 3.973 -10.507 1.00 0.00 H ATOM 678 N LEU J 153 -22.051 5.398 -10.128 1.00 11.23 N ATOM 679 CA LEU J 153 -23.163 6.229 -10.587 1.00 10.53 C ATOM 680 C LEU J 153 -23.365 6.091 -12.090 1.00 13.86 C ATOM 681 O LEU J 153 -22.433 5.866 -12.839 1.00 18.67 O ATOM 682 CB LEU J 153 -22.879 7.694 -10.284 1.00 16.72 C ATOM 683 CG LEU J 153 -23.223 8.240 -8.914 1.00 14.23 C ATOM 684 CD1 LEU J 153 -22.810 9.721 -8.874 1.00 12.21 C ATOM 685 CD2 LEU J 153 -24.718 8.037 -8.580 1.00 10.97 C ATOM 686 H LEU J 153 -21.075 5.732 -10.259 1.00 0.00 H ATOM 687 N ASP J 154 -24.612 6.219 -12.520 1.00 26.14 N ATOM 688 CA ASP J 154 -24.930 6.232 -13.933 1.00 28.83 C ATOM 689 C ASP J 154 -24.671 7.628 -14.548 1.00 26.44 C ATOM 690 O ASP J 154 -24.760 8.632 -13.856 1.00 26.87 O ATOM 691 CB ASP J 154 -26.416 5.889 -14.098 1.00 36.17 C ATOM 692 CG ASP J 154 -26.729 5.281 -15.451 1.00 54.86 C ATOM 693 OD1 ASP J 154 -25.789 4.807 -16.128 1.00 62.38 O ATOM 694 OD2 ASP J 154 -27.918 5.269 -15.836 1.00 62.14 O ATOM 695 H ASP J 154 -25.381 6.312 -11.826 1.00 0.00 H ATOM 696 N ALA J 155 -24.443 7.669 -15.852 1.00 26.03 N ATOM 697 CA ALA J 155 -24.295 8.937 -16.566 1.00 31.81 C ATOM 698 C ALA J 155 -25.428 9.930 -16.261 1.00 31.25 C ATOM 699 O ALA J 155 -25.195 11.142 -16.194 1.00 33.12 O ATOM 700 CB ALA J 155 -24.222 8.678 -18.072 1.00 36.64 C ATOM 701 H ALA J 155 -24.367 6.777 -16.382 1.00 0.00 H ATOM 702 N ASP J 156 -26.648 9.415 -16.120 1.00 26.38 N ATOM 703 CA ASP J 156 -27.829 10.228 -15.832 1.00 32.10 C ATOM 704 C ASP J 156 -27.685 11.060 -14.570 1.00 37.29 C ATOM 705 O ASP J 156 -28.351 12.077 -14.422 1.00 40.46 O ATOM 706 CB ASP J 156 -29.044 9.320 -15.665 1.00 42.78 C ATOM 707 CG ASP J 156 -29.614 8.862 -16.992 1.00 58.16 C ATOM 708 OD1 ASP J 156 -29.636 9.679 -17.945 1.00 61.33 O ATOM 709 OD2 ASP J 156 -30.040 7.687 -17.081 1.00 64.29 O ATOM 710 H ASP J 156 -26.766 8.387 -16.219 1.00 0.00 H ATOM 711 N ALA J 157 -26.841 10.610 -13.647 1.00 32.33 N ATOM 712 CA ALA J 157 -26.589 11.351 -12.422 1.00 28.16 C ATOM 713 C ALA J 157 -26.172 12.785 -12.714 1.00 32.64 C ATOM 714 O ALA J 157 -26.455 13.679 -11.932 1.00 40.19 O ATOM 715 CB ALA J 157 -25.511 10.652 -11.568 1.00 25.99 C ATOM 716 H ALA J 157 -26.350 9.707 -13.805 1.00 0.00 H ATOM 717 N ARG J 158 -25.477 13.010 -13.824 1.00 29.30 N ATOM 718 CA ARG J 158 -25.153 14.371 -14.234 1.00 31.05 C ATOM 719 C ARG J 158 -26.420 15.204 -14.464 1.00 36.29 C ATOM 720 O ARG J 158 -26.483 16.377 -14.103 1.00 40.41 O ATOM 721 CB ARG J 158 -24.314 14.357 -15.503 1.00 26.59 C ATOM 722 CG ARG J 158 -23.019 13.609 -15.370 1.00 22.33 C ATOM 723 CD ARG J 158 -22.128 13.979 -16.509 1.00 16.41 C ATOM 724 NE ARG J 158 -20.928 13.157 -16.598 1.00 17.75 N ATOM 725 CZ ARG J 158 -20.777 12.095 -17.387 1.00 20.15 C ATOM 726 NH1 ARG J 158 -21.771 11.684 -18.159 1.00 20.31 N ATOM 727 NH2 ARG J 158 -19.622 11.432 -17.388 1.00 19.32 N ATOM 728 HE ARG J 158 -20.123 13.422 -15.995 1.00 0.00 H ATOM 729 HH12 ARG J 158 -21.644 10.854 -18.772 1.00 0.00 H ATOM 730 HH11 ARG J 158 -22.679 12.192 -18.152 1.00 0.00 H ATOM 731 HH22 ARG J 158 -19.499 10.602 -18.003 1.00 0.00 H ATOM 732 HH21 ARG J 158 -18.843 11.744 -16.774 1.00 0.00 H ATOM 733 H ARG J 158 -25.161 12.208 -14.406 1.00 0.00 H TER 734 ARG J 158 HETATM 735 O HOH 1 -8.501 10.761 -7.181 1.00 61.58 O HETATM 736 O HOH 2 -10.662 8.755 -8.114 1.00 42.43 O HETATM 737 O HOH 3 -29.276 -9.397 1.803 1.00 36.98 O HETATM 738 O HOH 4 -31.332 20.114 0.678 1.00 43.38 O HETATM 739 O HOH 5 -35.381 -5.752 3.008 1.00 27.01 O HETATM 740 O HOH 6 -26.278 16.722 -5.062 1.00 40.34 O HETATM 741 O HOH 7 -25.182 12.072 6.030 1.00 37.99 O HETATM 742 O HOH 8 -29.773 14.576 -15.930 1.00 35.42 O HETATM 743 O HOH 9 -39.914 7.599 -5.006 1.00 18.90 O HETATM 744 O HOH 10 -9.005 7.182 -7.271 1.00 37.41 O HETATM 745 O HOH 11 -20.835 -4.749 -11.336 1.00 29.40 O HETATM 746 O HOH 12 -37.339 1.571 7.679 1.00 42.70 O HETATM 747 O HOH 13 -30.757 12.005 -17.795 1.00 47.28 O HETATM 748 O HOH 14 -27.881 -6.025 -0.361 1.00 15.25 O HETATM 749 O HOH 15 -8.239 20.387 0.911 1.00 10.19 O HETATM 750 O HOH 16 -22.973 -3.748 -11.946 1.00 23.46 O HETATM 751 O HOH 17 -28.220 15.441 -11.038 1.00 37.63 O HETATM 752 O HOH 18 -24.811 2.635 -14.927 1.00 51.46 O HETATM 753 O HOH 19 -11.267 21.636 0.706 1.00 16.13 O HETATM 754 O HOH 20 -30.615 -1.167 -1.738 1.00 20.87 O HETATM 755 O HOH 21 -30.774 10.558 7.874 1.00 34.36 O HETATM 756 O HOH 22 -25.475 -4.011 -8.185 1.00 30.91 O HETATM 757 O HOH 23 -34.426 -5.623 0.239 1.00 19.38 O HETATM 758 O HOH 24 -12.229 -2.285 -3.192 1.00 48.94 O HETATM 759 O HOH 25 -12.709 7.096 -11.151 1.00 39.08 O HETATM 760 O HOH 26 -33.223 16.281 -0.220 1.00 51.29 O HETATM 761 O HOH 27 -15.718 0.286 -9.401 1.00 20.36 O HETATM 762 O HOH 28 -38.694 11.536 -8.906 1.00 33.44 O HETATM 763 O HOH 29 -11.219 13.700 3.010 1.00 15.21 O HETATM 764 O HOH 30 -26.217 15.257 5.060 1.00 27.34 O HETATM 765 O HOH 31 -12.623 10.463 -4.604 1.00 18.33 O HETATM 766 O HOH 32 -14.206 -0.838 3.075 1.00 25.53 O HETATM 767 O HOH 33 -21.222 4.691 -15.014 1.00 20.32 O HETATM 768 O HOH 34 -11.902 18.146 -6.633 1.00 9.98 O HETATM 769 O HOH 35 -38.321 2.749 3.013 1.00 27.05 O HETATM 770 O HOH 36 -33.671 16.956 -4.196 1.00 31.93 O HETATM 771 O HOH 37 -13.126 15.674 4.513 1.00 10.90 O HETATM 772 O HOH 38 -14.149 -2.929 -1.533 1.00 14.98 O HETATM 773 O HOH 39 -26.141 3.074 -11.052 1.00 20.00 O HETATM 774 O HOH 40 -20.260 19.653 -0.665 1.00 18.17 O HETATM 775 O HOH 41 -20.893 21.858 0.987 1.00 38.30 O HETATM 776 O HOH 42 -35.266 -3.738 -3.297 1.00 38.50 O HETATM 777 O HOH 43 -33.909 13.332 7.077 1.00 26.74 O HETATM 778 O HOH 44 -35.281 4.239 -5.400 1.00 39.01 O HETATM 779 O HOH 45 -21.204 0.161 -13.828 1.00 34.52 O HETATM 780 O HOH 46 -36.721 5.369 -2.649 1.00 21.31 O HETATM 781 O HOH 47 -28.121 14.169 3.510 1.00 34.72 O HETATM 782 O HOH 48 -27.818 7.937 6.953 1.00 32.39 O HETATM 783 O HOH 49 -11.205 11.879 -2.646 1.00 13.91 O HETATM 784 O HOH 50 -16.862 2.068 -15.497 1.00 28.43 O HETATM 785 O HOH 51 -24.709 12.601 -18.576 1.00 26.21 O HETATM 786 O HOH 52 -32.771 -7.507 -4.749 1.00 40.71 O HETATM 787 O HOH 53 -38.683 9.384 10.622 1.00 28.63 O HETATM 788 O HOH 54 -9.399 14.571 -1.539 1.00 12.91 O HETATM 789 O HOH 55 -15.632 19.292 -0.864 1.00 21.43 O HETATM 790 O HOH 56 -31.705 10.703 -6.371 1.00 26.10 O HETATM 791 O HOH 57 -23.998 17.624 -13.491 1.00 32.62 O HETATM 792 O HOH 58 -37.729 -4.160 5.443 1.00 31.39 O HETATM 793 O HOH 59 -13.400 -5.982 -4.479 1.00 30.97 O HETATM 794 O HOH 60 -28.288 15.567 -17.595 1.00 44.95 O HETATM 795 O HOH 61 -19.553 15.701 -13.084 1.00 33.22 O HETATM 796 O HOH 62 -25.698 18.073 2.404 1.00 36.15 O HETATM 797 O HOH 63 -26.883 19.732 0.705 1.00 27.70 O HETATM 798 O HOH 64 -24.296 25.294 -0.324 1.00 34.11 O HETATM 799 O HOH 65 -32.129 -3.561 -6.062 1.00 23.20 O HETATM 800 O HOH 66 -31.518 16.082 -1.155 1.00 20.32 O HETATM 801 O HOH 67 -27.945 -3.535 4.481 1.00 24.77 O HETATM 802 O HOH 68 -15.866 11.581 -19.272 1.00 29.54 O HETATM 803 O HOH 69 -4.689 7.456 1.549 1.00 61.50 O HETATM 804 O HOH 70 -29.528 14.526 -13.047 1.00 30.76 O HETATM 805 O HOH 71 -33.952 1.680 -1.256 1.00 15.06 O HETATM 806 O HOH 72 -31.093 14.900 3.851 1.00 20.49 O HETATM 807 O HOH 73 -16.137 -2.001 8.924 1.00 12.97 O HETATM 808 O HOH 74 -41.628 6.300 1.470 1.00 21.83 O HETATM 809 O HOH 75 -33.113 2.697 -3.724 1.00 23.44 O HETATM 810 O HOH 76 -8.461 -1.823 -4.469 1.00 73.04 O HETATM 811 O HOH 77 -33.273 -0.539 -4.370 1.00 45.00 O HETATM 812 O HOH 78 -11.273 3.805 2.607 1.00 30.66 O HETATM 813 O HOH 79 -13.315 3.176 11.467 1.00 30.19 O HETATM 814 O HOH 80 -25.326 -1.511 7.857 1.00 23.25 O HETATM 815 O HOH 81 -27.550 7.953 10.626 1.00 39.46 O HETATM 816 O HOH 82 -32.188 13.320 -6.605 1.00 25.43 O HETATM 817 O HOH 83 -28.029 19.447 -2.071 1.00 26.64 O HETATM 818 O HOH 84 -27.191 7.862 -11.195 1.00 34.64 O HETATM 819 O HOH 85 -24.150 2.541 -12.560 1.00 16.82 O HETATM 820 O HOH 86 -6.407 1.841 -3.445 1.00 28.37 O HETATM 821 O HOH 87 -30.046 16.038 -10.566 1.00 38.75 O HETATM 822 O HOH 88 -30.783 9.137 10.169 1.00 33.22 O HETATM 823 O HOH 89 -36.657 18.629 -0.920 1.00 48.28 O HETATM 824 O HOH 90 -25.353 -6.955 -7.994 1.00 32.27 O HETATM 825 O HOH 91 -26.662 17.279 -17.223 1.00 32.67 O HETATM 826 O HOH 92 -36.369 -1.742 9.332 1.00 54.13 O HETATM 827 O HOH 93 -11.310 7.312 2.233 1.00 56.08 O HETATM 828 O HOH 94 -12.684 1.034 11.576 1.00 16.07 O HETATM 829 O HOH 95 -10.029 7.159 -10.162 1.00 49.66 O HETATM 830 O HOH 96 -26.425 23.233 -0.099 1.00 44.32 O HETATM 831 O HOH 97 -28.627 13.743 5.654 1.00 49.74 O HETATM 832 O HOH 98 -36.018 19.146 1.703 1.00 27.41 O HETATM 833 O HOH 99 -29.122 13.928 -17.744 1.00 40.59 O HETATM 834 O HOH 100 -21.491 19.525 -9.618 1.00 25.81 O HETATM 835 O HOH 101 -13.195 -3.350 -12.583 1.00 35.54 O HETATM 836 O HOH 102 -14.022 2.366 6.349 1.00 30.98 O HETATM 837 O HOH 103 -29.222 12.215 7.476 1.00 38.77 O HETATM 838 O HOH 104 -15.015 0.083 5.530 1.00 26.24 O HETATM 839 O HOH 105 -7.149 -0.583 -5.703 1.00 30.11 O HETATM 840 O HOH 106 -11.772 -1.965 -1.431 1.00 60.94 O HETATM 841 O HOH 107 -25.250 21.511 1.558 1.00 33.61 O HETATM 842 O HOH 108 -34.796 16.916 -6.358 1.00 30.90 O HETATM 843 O HOH 109 -5.719 8.206 -0.404 1.00 54.74 O HETATM 844 O HOH 110 -40.763 3.616 0.639 1.00 32.71 O HETATM 845 O HOH 111 -36.757 1.931 -1.322 1.00 44.48 O HETATM 846 O HOH 112 -36.890 1.160 0.446 1.00 40.73 O HETATM 847 O HOH 113 -11.636 -0.097 3.136 1.00 43.16 O HETATM 848 O HOH 114 -11.677 -2.609 -10.684 1.00 37.30 O HETATM 849 O HOH 115 -35.036 14.363 -7.751 1.00 36.43 O HETATM 850 O HOH 116 -12.452 5.215 10.210 1.00 27.78 O HETATM 851 O HOH 117 -11.449 -6.808 -10.780 1.00 30.82 O HETATM 852 O HOH 118 -34.463 5.268 -10.808 1.00 37.83 O HETATM 853 O HOH 119 -10.321 -0.828 5.153 1.00 39.21 O HETATM 854 O HOH 120 -34.009 3.324 -8.463 1.00 40.29 O HETATM 855 O HOH 121 -22.153 16.677 -12.448 1.00 47.04 O HETATM 856 O HOH 122 -33.719 2.359 -6.847 1.00 43.28 O HETATM 857 O HOH 123 -9.874 10.426 -0.425 1.00 23.34 O HETATM 858 O HOH 124 -11.192 6.403 4.083 1.00 32.26 O HETATM 859 O HOH 125 -12.271 -1.352 7.171 1.00 35.98 O HETATM 860 O HOH 126 -35.543 10.140 -12.990 1.00 35.79 O HETATM 861 O HOH 127 -25.493 15.183 -19.129 1.00 28.11 O HETATM 862 O HOH 128 -26.686 -10.041 -8.639 1.00 33.95 O HETATM 863 O HOH 129 -37.977 10.223 -14.617 1.00 27.34 O HETATM 864 O HOH 130 -39.299 9.530 -19.676 1.00 42.69 O HETATM 865 P1 C A 2 -33.686 13.435 -2.975 1.00 0.26 P HETATM 866 O2P C A 2 -32.405 13.879 -3.662 1.00 -0.62 O HETATM 867 O1P C A 2 -33.792 14.014 -1.606 1.00 -0.62 O HETATM 868 O5' C A 2 -33.817 11.908 -2.933 1.00 -0.25 O HETATM 869 C5' C A 2 -33.558 11.197 -4.064 1.00 0.11 C HETATM 870 C4' C A 2 -34.193 9.832 -4.051 1.00 0.12 C HETATM 871 O4' C A 2 -33.704 9.035 -2.982 1.00 -0.34 O HETATM 872 C1' C A 2 -34.734 8.226 -2.500 1.00 0.20 C HETATM 873 C2' C A 2 -35.766 8.508 -3.445 1.00 0.14 C HETATM 874 C3' C A 2 -35.713 9.871 -3.837 1.00 0.15 C HETATM 875 O3' C A 2 -36.396 10.074 -5.067 1.00 -0.25 O HETATM 876 P11 C A 2 -37.953 10.502 -4.975 1.00 0.26 P HETATM 877 O21 C A 2 -38.316 10.439 -6.434 1.00 -0.62 O HETATM 878 O11 C A 2 -38.622 9.572 -4.055 1.00 -0.62 O HETATM 879 O5A C A 2 -38.005 11.946 -4.453 1.00 -0.25 O HETATM 880 C5A C A 2 -37.432 12.940 -5.266 1.00 0.11 C HETATM 881 C4A C A 2 -37.077 14.201 -4.524 1.00 0.12 C HETATM 882 O4A C A 2 -38.318 14.773 -3.929 1.00 -0.34 O HETATM 883 C1A C A 2 -38.023 15.244 -2.662 1.00 0.20 C HETATM 884 C2A C A 2 -36.521 15.145 -2.476 1.00 0.14 C HETATM 885 C3A C A 2 -36.149 14.014 -3.372 1.00 0.15 C HETATM 886 O3A C A 2 -34.863 14.063 -3.875 1.00 -0.25 O HETATM 887 H15 C A 2 -36.309 13.052 -2.863 1.00 0.07 H HETATM 888 O2A C A 2 -36.017 16.359 -2.864 1.00 -0.38 O HETATM 889 H17 C A 2 -35.068 16.316 -2.880 1.00 0.21 H HETATM 890 H16 C A 2 -36.237 14.929 -1.435 1.00 0.07 H HETATM 891 N91 C A 2 -38.779 14.476 -1.693 1.00 -0.21 N HETATM 892 C81 C A 2 -39.377 13.320 -1.815 1.00 0.10 C HETATM 893 N71 C A 2 -39.941 12.939 -0.753 1.00 -0.32 N HETATM 894 C51 C A 2 -39.802 13.794 0.249 1.00 0.09 C HETATM 895 C61 C A 2 -40.174 13.961 1.606 1.00 0.21 C HETATM 896 O61 C A 2 -40.883 13.081 2.278 1.00 -0.41 O HETATM 897 N11 C A 2 -39.773 15.076 2.270 1.00 -0.18 N HETATM 898 C21 C A 2 -39.058 16.012 1.646 1.00 0.23 C HETATM 899 N21 C A 2 -38.626 17.185 2.323 1.00 -0.28 N HETATM 900 H21 C A 2 -38.074 17.895 1.821 1.00 0.19 H HETATM 901 H22 C A 2 -38.865 17.324 3.315 1.00 0.19 H HETATM 902 N31 C A 2 -38.663 15.945 0.369 1.00 -0.28 N HETATM 903 C41 C A 2 -39.025 14.860 -0.334 1.00 0.12 C HETATM 904 H20 C A 2 -40.016 15.195 3.233 1.00 0.25 H HETATM 905 H19 C A 2 -39.387 12.745 -2.739 1.00 0.12 H HETATM 906 H18 C A 2 -38.321 16.300 -2.580 1.00 0.10 H HETATM 907 H14 C A 2 -36.630 14.910 -5.237 1.00 0.07 H HETATM 908 H12 C A 2 -38.149 13.195 -6.060 1.00 0.06 H HETATM 909 H13 C A 2 -36.515 12.533 -5.717 1.00 0.06 H HETATM 910 H4 C A 2 -36.052 10.584 -3.071 1.00 0.07 H HETATM 911 O2' C A 2 -35.856 7.422 -4.354 1.00 -0.38 O HETATM 912 H6 C A 2 -35.878 6.606 -3.869 1.00 0.21 H HETATM 913 H5 C A 2 -36.712 8.449 -2.888 1.00 0.07 H HETATM 914 N9 C A 2 -34.807 8.656 -1.064 1.00 -0.21 N HETATM 915 C8 C A 2 -34.305 9.723 -0.437 1.00 0.10 C HETATM 916 N7 C A 2 -34.532 9.700 0.775 1.00 -0.32 N HETATM 917 C5 C A 2 -35.208 8.603 1.122 1.00 0.09 C HETATM 918 C6 C A 2 -35.724 8.015 2.269 1.00 0.21 C HETATM 919 O6 C A 2 -35.631 8.594 3.462 1.00 -0.41 O HETATM 920 N1 C A 2 -36.379 6.829 2.172 1.00 -0.18 N HETATM 921 C2 C A 2 -36.515 6.176 0.981 1.00 0.23 C HETATM 922 N2 C A 2 -37.228 4.899 0.973 1.00 -0.28 N HETATM 923 H10 C A 2 -37.348 4.381 0.090 1.00 0.19 H HETATM 924 H11 C A 2 -37.611 4.517 1.850 1.00 0.19 H HETATM 925 N3 C A 2 -36.079 6.675 -0.174 1.00 -0.28 N HETATM 926 C4 C A 2 -35.406 7.837 -0.104 1.00 0.12 C HETATM 927 H9 C A 2 -36.773 6.423 2.997 1.00 0.25 H HETATM 928 H8 C A 2 -33.759 10.521 -0.938 1.00 0.12 H HETATM 929 H7 C A 2 -34.501 7.152 -2.537 1.00 0.10 H HETATM 930 H3 C A 2 -33.971 9.344 -5.011 1.00 0.07 H HETATM 931 H1 C A 2 -32.469 11.077 -4.163 1.00 0.06 H HETATM 932 H2 C A 2 -33.945 11.757 -4.928 1.00 0.06 H CONECT 1 2 13 14 15 CONECT 13 1 CONECT 14 1 CONECT 15 1 CONECT 865 866 867 868 886 CONECT 866 865 CONECT 867 865 CONECT 868 865 869 CONECT 869 868 870 931 932 CONECT 870 869 871 874 930 CONECT 871 870 872 CONECT 872 871 873 914 929 CONECT 873 872 874 911 913 CONECT 874 870 873 875 910 CONECT 875 874 876 CONECT 876 875 877 878 879 CONECT 877 876 CONECT 878 876 CONECT 879 876 880 CONECT 880 879 881 908 909 CONECT 881 880 882 885 907 CONECT 882 881 883 CONECT 883 882 884 891 906 CONECT 884 883 885 888 890 CONECT 885 881 884 886 887 CONECT 886 865 885 CONECT 887 885 CONECT 888 884 889 CONECT 889 888 CONECT 890 884 CONECT 891 883 892 903 CONECT 892 891 893 905 CONECT 893 892 894 CONECT 894 893 895 903 CONECT 895 894 896 897 CONECT 896 895 CONECT 897 895 898 904 CONECT 898 897 899 902 CONECT 899 898 900 901 CONECT 900 899 CONECT 901 899 CONECT 902 898 903 CONECT 903 891 894 902 CONECT 904 897 CONECT 905 892 CONECT 906 883 CONECT 907 881 CONECT 908 880 CONECT 909 880 CONECT 910 874 CONECT 911 873 912 CONECT 912 911 CONECT 913 873 CONECT 914 872 915 926 CONECT 915 914 916 928 CONECT 916 915 917 CONECT 917 916 918 926 CONECT 918 917 919 920 CONECT 919 918 CONECT 920 918 921 927 CONECT 921 920 922 925 CONECT 922 921 923 924 CONECT 923 922 CONECT 924 922 CONECT 925 921 926 CONECT 926 914 917 925 CONECT 927 920 CONECT 928 915 CONECT 929 872 CONECT 930 870 CONECT 931 869 CONECT 932 869 MASTER 0 0 0 0 0 0 0 0 931 1 72 6 END
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Structure:
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Related entries of code: 5tzd
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Protein Sequence Similarity
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92aa, >4OAZ_1|Chains... *
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91aa, >5TZG_1|Chains... at 92%
Complexes with the same small molecule ligand
PDB Code
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Ligand Name
1w25
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C2E
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PDBbind
C2E
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4euv
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PDBbind
C2E
4f3h
RCSB PDB
PDBbind
C2E
4f5y
RCSB PDB
PDBbind
C2E
4f9g
RCSB PDB
PDBbind
C2E
4kby
RCSB PDB
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PDBbind
C2E
4oaz
RCSB PDB
PDBbind
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PDBbind
C2E
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RCSB PDB
PDBbind
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4rt0
RCSB PDB
PDBbind
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5ejl
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PDBbind
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5exx
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PDBbind
C2E
5khd
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PDBbind
C2E
5tzf
RCSB PDB
PDBbind
C2E
5tzg
RCSB PDB
PDBbind
C2E
6pfj
RCSB PDB
PDBbind
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6a04
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PDBbind
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5y6g
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Entry Information
PDB ID
5tzd
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
DNA-binding protein
Ligand Name
C2E
EC.Number
E.C.-.-.-.-
Resolution
1.75(Å)
Affinity (Kd/Ki/IC50)
Kd=1.8uM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) Nucleic Acids Res. Vol. 45: pp. 6923-6933
Ligand Properties
Formula
C
2
0
H
2
6
N
1
0
O
1
4
P
2
Molecular Weight
692.427
Exact Mass
692.111
No. of atoms
72
No. of bonds
78
Polar Surface Area
383.12
LOGP Value
-6.93 (
Computed with XLOGP3
)
-2.76 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 10
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 24
No. of Rings: 7
Canonical SMILES
O[C@@H]1[C@@H]2OP(O)(O)OC[C@H]3O[C@H]([C@@H]([C@@H]3OP(OC[C@H]2O[C@H]1n1cnc2c1nc(N)[nH]c2=O)(O)O)O)n1cnc2c1nc(N)[nH]c2=O
InChI String
InChI=1S/C20H28N10O14P2/c21-19-25-13-7(15(33)27-19)23-3-29(13)17-9(31)11-5(41-17)1-39-45(35,36)44-12-6(2-40-46(37,38)43-11)42-18(10(12)32)30-4-24-8-14(30)26-20(22)28-16(8)34/h3-6,9-12,17-18,31-32,35-38,45-46H,1-2H2,(H3,21,25,27,33)(H3,22,26,28,34)/t5-,6-,9-,10-,11-,12-,17-,18-/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):
F2RCL8
Entrez Gene ID
NCBI Entrez Gene ID:
61485974
ASD
Information of known allosteric effects of PDB entries
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