Browse entries in the PDBbind-CN Database
HEADER 6HT1_COMPLEX COMPND 6HT1_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 143 ASP ASN GLN CYS THR VAL GLN VAL ARG LEU GLU LEU GLY SEQRES 2 A 143 HIS ARG ALA GLN LEU ARG LYS LYS PRO THR THR GLU GLY SEQRES 3 A 143 PHE THR HIS ASP TRP MET VAL PHE VAL ARG GLY PRO GLU SEQRES 4 A 143 GLN CYS ASP ILE GLN HIS PHE VAL GLU LYS VAL VAL PHE SEQRES 5 A 143 TRP LEU HIS ASP SER PHE PRO LYS PRO ARG ARG VAL CYS SEQRES 6 A 143 LYS GLU PRO PRO TYR LYS VAL GLU GLU SER GLY TYR ALA SEQRES 7 A 143 GLY PHE ILE MET PRO ILE GLU VAL HIS PHE LYS ASN LYS SEQRES 8 A 143 GLU GLU PRO ARG LYS VAL CYS PHE THR TYR ASP LEU PHE SEQRES 9 A 143 LEU ASN LEU GLU GLY ASN PRO PRO VAL ASN HIS LEU ARG SEQRES 10 A 143 CYS GLU LYS LEU THR PHE ASN ASN PRO THR THR GLU PHE SEQRES 11 A 143 ARG TYR LYS LEU LEU ARG ALA GLY GLY VAL MET VAL MET HET GQ A 5 54 ATOM 1 N ASP A 2 33.893 -13.699 57.318 1.00 93.83 N ATOM 2 CA ASP A 2 35.144 -12.986 56.913 1.00 96.01 C ATOM 3 C ASP A 2 34.788 -11.914 55.872 1.00 95.32 C ATOM 4 O ASP A 2 35.362 -10.813 55.953 1.00 95.43 O ATOM 5 CB ASP A 2 36.206 -13.958 56.385 1.00 98.02 C ATOM 6 HN3 ASP A 2 33.465 -14.147 56.483 1.00 0.00 H ATOM 7 HN2 ASP A 2 33.224 -13.017 57.729 1.00 0.00 H ATOM 8 HN1 ASP A 2 34.124 -14.428 58.023 1.00 0.00 H ATOM 9 N ASN A 3 33.917 -12.244 54.905 1.00 93.87 N ATOM 10 CA ASN A 3 33.372 -11.292 53.885 1.00 90.37 C ATOM 11 C ASN A 3 31.843 -11.306 54.021 1.00 83.31 C ATOM 12 O ASN A 3 31.127 -10.956 53.058 1.00 79.70 O ATOM 13 CB ASN A 3 33.903 -11.605 52.474 1.00 94.75 C ATOM 14 CG ASN A 3 33.267 -12.821 51.826 1.00 96.68 C ATOM 15 OD1 ASN A 3 32.484 -13.537 52.455 1.00 94.18 O ATOM 16 ND2 ASN A 3 33.604 -13.062 50.565 1.00 96.70 N ATOM 17 HD22 ASN A 3 34.269 -12.430 50.075 1.00 0.00 H ATOM 18 HD21 ASN A 3 33.203 -13.883 50.067 1.00 0.00 H ATOM 19 H ASN A 3 33.597 -13.233 54.861 1.00 0.00 H ATOM 20 N GLN A 4 31.389 -11.722 55.201 1.00 80.36 N ATOM 21 CA GLN A 4 29.990 -11.701 55.671 1.00 75.59 C ATOM 22 C GLN A 4 29.612 -10.260 55.978 1.00 72.10 C ATOM 23 O GLN A 4 30.487 -9.451 56.195 1.00 76.35 O ATOM 24 CB GLN A 4 29.860 -12.602 56.903 1.00 77.75 C ATOM 25 CG GLN A 4 30.023 -14.083 56.579 1.00 81.16 C ATOM 26 CD GLN A 4 29.017 -14.501 55.531 1.00 80.70 C ATOM 27 OE1 GLN A 4 27.813 -14.583 55.807 1.00 78.71 O ATOM 28 NE2 GLN A 4 29.480 -14.637 54.291 1.00 78.67 N ATOM 29 HE22 GLN A 4 30.500 -14.560 54.106 1.00 0.00 H ATOM 30 HE21 GLN A 4 28.821 -14.820 53.507 1.00 0.00 H ATOM 31 H GLN A 4 32.096 -12.103 55.863 1.00 0.00 H ATOM 32 N CYS A 5 28.356 -9.927 55.912 1.00 68.46 N ATOM 33 CA CYS A 5 27.942 -8.517 55.958 1.00 67.72 C ATOM 34 C CYS A 5 26.432 -8.408 56.032 1.00 63.33 C ATOM 35 O CYS A 5 25.753 -9.030 55.215 1.00 65.80 O ATOM 36 CB CYS A 5 28.444 -7.792 54.732 1.00 69.53 C ATOM 37 SG CYS A 5 27.682 -6.176 54.539 1.00 67.56 S ATOM 38 H CYS A 5 27.633 -10.670 55.825 1.00 0.00 H ATOM 39 N THR A 6 25.957 -7.639 56.992 1.00 58.15 N ATOM 40 CA THR A 6 24.534 -7.455 57.310 1.00 55.89 C ATOM 41 C THR A 6 24.230 -5.975 57.427 1.00 51.06 C ATOM 42 O THR A 6 25.033 -5.270 58.003 1.00 51.68 O ATOM 43 CB THR A 6 24.254 -8.216 58.583 1.00 58.45 C ATOM 44 OG1 THR A 6 24.565 -9.550 58.174 1.00 66.19 O ATOM 45 CG2 THR A 6 22.850 -8.057 59.097 1.00 56.55 C ATOM 46 HG1 THR A 6 23.977 -9.808 57.420 1.00 0.00 H ATOM 47 H THR A 6 26.646 -7.120 57.572 1.00 0.00 H ATOM 48 N VAL A 7 23.178 -5.530 56.786 1.00 47.41 N ATOM 49 CA VAL A 7 22.722 -4.128 56.831 1.00 45.48 C ATOM 50 C VAL A 7 21.305 -4.146 57.388 1.00 46.63 C ATOM 51 O VAL A 7 20.441 -4.790 56.769 1.00 46.53 O ATOM 52 CB VAL A 7 22.820 -3.474 55.441 1.00 43.75 C ATOM 53 CG1 VAL A 7 22.294 -2.049 55.449 1.00 45.62 C ATOM 54 CG2 VAL A 7 24.215 -3.503 54.906 1.00 45.79 C ATOM 55 H VAL A 7 22.633 -6.204 56.212 1.00 0.00 H ATOM 56 N GLN A 8 21.079 -3.502 58.537 1.00 47.51 N ATOM 57 CA GLN A 8 19.715 -3.208 59.021 1.00 47.60 C ATOM 58 C GLN A 8 19.227 -1.834 58.520 1.00 42.15 C ATOM 59 O GLN A 8 19.982 -0.873 58.474 1.00 40.06 O ATOM 60 CB GLN A 8 19.667 -3.337 60.534 1.00 52.24 C ATOM 61 CG GLN A 8 19.834 -4.772 60.981 1.00 58.24 C ATOM 62 CD GLN A 8 19.881 -4.876 62.484 1.00 65.42 C ATOM 63 OE1 GLN A 8 19.891 -3.874 63.190 1.00 69.43 O ATOM 64 NE2 GLN A 8 19.936 -6.098 62.982 1.00 70.13 N ATOM 65 HE22 GLN A 8 19.925 -6.920 62.345 1.00 0.00 H ATOM 66 HE21 GLN A 8 19.990 -6.238 64.011 1.00 0.00 H ATOM 67 H GLN A 8 21.892 -3.197 59.110 1.00 0.00 H ATOM 68 N VAL A 9 17.973 -1.786 58.169 1.00 38.38 N ATOM 69 CA VAL A 9 17.213 -0.554 57.886 1.00 40.69 C ATOM 70 C VAL A 9 15.921 -0.693 58.642 1.00 40.16 C ATOM 71 O VAL A 9 15.512 -1.824 58.845 1.00 39.69 O ATOM 72 CB VAL A 9 16.937 -0.392 56.385 1.00 39.14 C ATOM 73 CG1 VAL A 9 18.195 -0.051 55.641 1.00 44.35 C ATOM 74 CG2 VAL A 9 16.310 -1.655 55.815 1.00 39.77 C ATOM 75 H VAL A 9 17.467 -2.690 58.081 1.00 0.00 H ATOM 76 N ARG A 10 15.247 0.413 58.858 1.00 39.85 N ATOM 77 CA ARG A 10 13.957 0.493 59.564 1.00 40.21 C ATOM 78 C ARG A 10 12.906 1.069 58.645 1.00 38.19 C ATOM 79 O ARG A 10 13.194 2.028 57.934 1.00 41.99 O ATOM 80 CB ARG A 10 14.149 1.330 60.819 1.00 43.62 C ATOM 81 CG ARG A 10 14.971 0.573 61.837 1.00 48.46 C ATOM 82 CD ARG A 10 15.699 1.446 62.787 1.00 55.61 C ATOM 83 NE ARG A 10 16.237 0.619 63.850 1.00 62.40 N ATOM 84 CZ ARG A 10 17.408 -0.016 63.825 1.00 69.43 C ATOM 85 NH1 ARG A 10 18.225 0.051 62.770 1.00 70.98 N ATOM 86 NH2 ARG A 10 17.776 -0.689 64.899 1.00 75.49 N ATOM 87 HE ARG A 10 15.658 0.512 64.707 1.00 0.00 H ATOM 88 HH12 ARG A 10 19.133 -0.457 62.782 1.00 0.00 H ATOM 89 HH11 ARG A 10 17.953 0.611 61.937 1.00 0.00 H ATOM 90 HH22 ARG A 10 18.685 -1.195 64.910 1.00 0.00 H ATOM 91 HH21 ARG A 10 17.157 -0.713 65.735 1.00 0.00 H ATOM 92 H ARG A 10 15.656 1.301 58.503 1.00 0.00 H ATOM 93 N LEU A 11 11.721 0.493 58.713 1.00 38.41 N ATOM 94 CA LEU A 11 10.491 0.998 58.093 1.00 37.39 C ATOM 95 C LEU A 11 9.495 1.286 59.206 1.00 38.79 C ATOM 96 O LEU A 11 9.457 0.508 60.150 1.00 36.62 O ATOM 97 CB LEU A 11 9.928 -0.074 57.180 1.00 39.53 C ATOM 98 CG LEU A 11 10.667 -0.300 55.883 1.00 41.03 C ATOM 99 CD1 LEU A 11 9.898 -1.300 55.054 1.00 46.30 C ATOM 100 CD2 LEU A 11 10.855 0.985 55.122 1.00 42.90 C ATOM 101 H LEU A 11 11.653 -0.394 59.252 1.00 0.00 H ATOM 102 N GLU A 12 8.713 2.342 59.055 1.00 36.88 N ATOM 103 CA GLU A 12 7.547 2.653 59.894 1.00 36.33 C ATOM 104 C GLU A 12 6.310 2.540 59.021 1.00 36.32 C ATOM 105 O GLU A 12 6.265 3.197 57.960 1.00 40.01 O ATOM 106 CB GLU A 12 7.764 4.029 60.492 1.00 40.70 C ATOM 107 CG GLU A 12 8.841 3.999 61.556 1.00 43.78 C ATOM 108 CD GLU A 12 9.340 5.318 62.104 1.00 47.68 C ATOM 109 OE1 GLU A 12 8.685 6.354 61.886 1.00 48.92 O ATOM 110 OE2 GLU A 12 10.416 5.296 62.775 1.00 54.48 O ATOM 111 H GLU A 12 8.940 3.002 58.284 1.00 0.00 H ATOM 112 N LEU A 13 5.406 1.634 59.368 1.00 34.05 N ATOM 113 CA LEU A 13 4.056 1.565 58.763 1.00 34.94 C ATOM 114 C LEU A 13 3.095 2.162 59.795 1.00 36.88 C ATOM 115 O LEU A 13 3.319 1.974 61.010 1.00 36.77 O ATOM 116 CB LEU A 13 3.680 0.106 58.503 1.00 39.82 C ATOM 117 CG LEU A 13 4.395 -0.615 57.373 1.00 44.85 C ATOM 118 CD1 LEU A 13 5.873 -0.766 57.676 1.00 49.14 C ATOM 119 CD2 LEU A 13 3.771 -1.987 57.159 1.00 48.05 C ATOM 120 H LEU A 13 5.657 0.939 60.100 1.00 0.00 H ATOM 121 N GLY A 14 2.037 2.796 59.364 1.00 32.90 N ATOM 122 CA GLY A 14 1.107 3.403 60.310 1.00 33.80 C ATOM 123 C GLY A 14 -0.164 3.797 59.633 1.00 33.32 C ATOM 124 O GLY A 14 -0.230 3.774 58.381 1.00 30.29 O ATOM 125 H GLY A 14 1.857 2.868 58.342 1.00 0.00 H ATOM 126 N HIS A 15 -1.086 4.309 60.405 1.00 34.53 N ATOM 127 CA HIS A 15 -2.374 4.794 59.869 1.00 35.43 C ATOM 128 C HIS A 15 -2.988 5.690 60.903 1.00 35.94 C ATOM 129 O HIS A 15 -2.590 5.620 62.133 1.00 34.20 O ATOM 130 CB HIS A 15 -3.294 3.631 59.449 1.00 37.22 C ATOM 131 CG HIS A 15 -4.060 3.008 60.573 1.00 38.17 C ATOM 132 ND1 HIS A 15 -3.477 2.203 61.481 1.00 38.40 N ATOM 133 CD2 HIS A 15 -5.382 3.053 60.888 1.00 41.53 C ATOM 134 CE1 HIS A 15 -4.401 1.751 62.327 1.00 44.53 C ATOM 135 NE2 HIS A 15 -5.582 2.256 61.979 1.00 43.29 N ATOM 136 H HIS A 15 -0.907 4.377 61.427 1.00 0.00 H ATOM 137 N ARG A 16 -3.754 6.614 60.398 1.00 36.81 N ATOM 138 CA ARG A 16 -4.624 7.487 61.186 1.00 40.17 C ATOM 139 C ARG A 16 -6.037 7.221 60.716 1.00 37.08 C ATOM 140 O ARG A 16 -6.221 6.986 59.512 1.00 35.72 O ATOM 141 CB ARG A 16 -4.241 8.951 60.967 1.00 43.56 C ATOM 142 CG ARG A 16 -2.826 9.306 61.373 1.00 51.23 C ATOM 143 CD ARG A 16 -2.540 10.705 60.870 1.00 56.21 C ATOM 144 NE ARG A 16 -1.469 11.376 61.570 1.00 64.04 N ATOM 145 CZ ARG A 16 -1.640 12.173 62.631 1.00 73.53 C ATOM 146 NH1 ARG A 16 -2.839 12.316 63.182 1.00 76.63 N ATOM 147 NH2 ARG A 16 -0.595 12.772 63.178 1.00 72.68 N ATOM 148 HE ARG A 16 -0.499 11.229 61.226 1.00 0.00 H ATOM 149 HH12 ARG A 16 -2.962 12.938 64.007 1.00 0.00 H ATOM 150 HH11 ARG A 16 -3.656 11.806 62.789 1.00 0.00 H ATOM 151 HH22 ARG A 16 -0.724 13.392 64.003 1.00 0.00 H ATOM 152 HH21 ARG A 16 0.356 12.623 62.783 1.00 0.00 H ATOM 153 H ARG A 16 -3.747 6.740 59.366 1.00 0.00 H ATOM 154 N ALA A 17 -6.998 7.372 61.604 1.00 40.17 N ATOM 155 CA ALA A 17 -8.424 7.230 61.295 1.00 42.05 C ATOM 156 C ALA A 17 -9.193 8.143 62.237 1.00 44.68 C ATOM 157 O ALA A 17 -8.829 8.215 63.399 1.00 43.25 O ATOM 158 CB ALA A 17 -8.831 5.791 61.454 1.00 42.68 C ATOM 159 H ALA A 17 -6.730 7.606 62.581 1.00 0.00 H ATOM 160 N GLN A 18 -10.237 8.778 61.744 1.00 47.56 N ATOM 161 CA GLN A 18 -11.141 9.563 62.587 1.00 53.80 C ATOM 162 C GLN A 18 -12.547 9.520 62.008 1.00 55.13 C ATOM 163 O GLN A 18 -12.703 9.358 60.739 1.00 50.93 O ATOM 164 CB GLN A 18 -10.650 10.988 62.705 1.00 58.23 C ATOM 165 CG GLN A 18 -10.574 11.674 61.366 1.00 64.67 C ATOM 166 CD GLN A 18 -10.070 13.077 61.552 1.00 74.29 C ATOM 167 OE1 GLN A 18 -8.896 13.289 61.866 1.00 79.57 O ATOM 168 NE2 GLN A 18 -10.979 14.038 61.451 1.00 76.36 N ATOM 169 HE22 GLN A 18 -11.956 13.804 61.182 1.00 0.00 H ATOM 170 HE21 GLN A 18 -10.715 15.026 61.640 1.00 0.00 H ATOM 171 H GLN A 18 -10.425 8.720 60.723 1.00 0.00 H ATOM 172 N LEU A 19 -13.509 9.540 62.926 1.00 55.50 N ATOM 173 CA LEU A 19 -14.946 9.723 62.647 1.00 61.81 C ATOM 174 C LEU A 19 -15.139 11.126 62.062 1.00 64.46 C ATOM 175 O LEU A 19 -14.631 12.104 62.655 1.00 70.98 O ATOM 176 CB LEU A 19 -15.735 9.519 63.949 1.00 62.50 C ATOM 177 CG LEU A 19 -17.213 9.176 63.779 1.00 66.54 C ATOM 178 CD1 LEU A 19 -17.408 7.955 62.879 1.00 65.15 C ATOM 179 CD2 LEU A 19 -17.866 8.948 65.126 1.00 69.40 C ATOM 180 H LEU A 19 -13.226 9.417 63.919 1.00 0.00 H ATOM 181 N ARG A 20 -15.667 11.207 60.858 1.00 63.78 N ATOM 182 CA ARG A 20 -16.199 12.476 60.309 1.00 66.99 C ATOM 183 C ARG A 20 -17.283 12.969 61.277 1.00 66.44 C ATOM 184 O ARG A 20 -18.049 12.120 61.775 1.00 67.27 O ATOM 185 CB ARG A 20 -16.708 12.245 58.882 1.00 63.67 C ATOM 186 CG ARG A 20 -15.733 11.444 58.034 1.00 60.29 C ATOM 187 CD ARG A 20 -16.143 11.337 56.589 1.00 61.98 C ATOM 188 NE ARG A 20 -16.571 12.628 56.109 1.00 66.48 N ATOM 189 CZ ARG A 20 -15.811 13.486 55.440 1.00 68.83 C ATOM 190 NH1 ARG A 20 -16.304 14.676 55.115 1.00 70.82 N ATOM 191 NH2 ARG A 20 -14.580 13.150 55.079 1.00 65.74 N ATOM 192 HE ARG A 20 -17.553 12.909 56.303 1.00 0.00 H ATOM 193 HH12 ARG A 20 -15.717 15.356 54.591 1.00 0.00 H ATOM 194 HH11 ARG A 20 -17.276 14.927 55.385 1.00 0.00 H ATOM 195 HH22 ARG A 20 -13.989 13.826 54.555 1.00 0.00 H ATOM 196 HH21 ARG A 20 -14.206 12.210 55.320 1.00 0.00 H ATOM 197 H ARG A 20 -15.712 10.349 60.272 1.00 0.00 H ATOM 198 N LYS A 21 -17.283 14.261 61.595 1.00 69.27 N ATOM 199 CA LYS A 21 -18.387 14.961 62.315 1.00 75.98 C ATOM 200 C LYS A 21 -19.724 14.683 61.627 1.00 72.88 C ATOM 201 O LYS A 21 -20.728 14.667 62.329 1.00 76.61 O ATOM 202 CB LYS A 21 -18.101 16.460 62.411 1.00 84.16 C ATOM 203 CG LYS A 21 -16.973 16.780 63.380 1.00 93.63 C ATOM 204 CD LYS A 21 -16.513 18.214 63.422 1.00102.86 C ATOM 205 CE LYS A 21 -15.160 18.328 64.107 1.00108.96 C ATOM 206 NZ LYS A 21 -14.700 19.731 64.216 1.00117.40 N ATOM 207 HZ1 LYS A 21 -14.615 20.142 63.264 1.00 0.00 H ATOM 208 HZ2 LYS A 21 -15.389 20.278 64.771 1.00 0.00 H ATOM 209 HZ3 LYS A 21 -13.774 19.755 64.690 1.00 0.00 H ATOM 210 H LYS A 21 -16.453 14.824 61.322 1.00 0.00 H ATOM 211 N LYS A 22 -19.712 14.444 60.313 1.00 68.53 N ATOM 212 CA LYS A 22 -20.894 14.109 59.475 1.00 69.09 C ATOM 213 C LYS A 22 -20.482 13.115 58.389 1.00 66.95 C ATOM 214 O LYS A 22 -19.480 13.327 57.699 1.00 64.23 O ATOM 215 CB LYS A 22 -21.452 15.386 58.840 1.00 72.57 C ATOM 216 CG LYS A 22 -21.676 16.545 59.802 1.00 76.17 C ATOM 217 CD LYS A 22 -23.099 16.736 60.171 1.00 79.64 C ATOM 218 CE LYS A 22 -23.367 18.081 60.793 1.00 83.16 C ATOM 219 NZ LYS A 22 -24.769 18.154 61.254 1.00 87.21 N ATOM 220 HZ1 LYS A 22 -25.407 18.018 60.444 1.00 0.00 H ATOM 221 HZ2 LYS A 22 -24.940 17.410 61.960 1.00 0.00 H ATOM 222 HZ3 LYS A 22 -24.944 19.086 61.682 1.00 0.00 H ATOM 223 H LYS A 22 -18.792 14.497 59.832 1.00 0.00 H ATOM 224 N PRO A 23 -21.243 12.016 58.166 1.00 68.50 N ATOM 225 CA PRO A 23 -20.878 11.046 57.138 1.00 68.31 C ATOM 226 C PRO A 23 -20.958 11.706 55.753 1.00 70.00 C ATOM 227 O PRO A 23 -21.492 12.804 55.662 1.00 72.60 O ATOM 228 CB PRO A 23 -21.857 9.876 57.305 1.00 68.38 C ATOM 229 CG PRO A 23 -22.988 10.422 58.174 1.00 73.94 C ATOM 230 CD PRO A 23 -22.470 11.659 58.881 1.00 73.23 C ATOM 231 N THR A 24 -20.319 11.115 54.738 1.00 68.27 N ATOM 232 CA THR A 24 -20.423 11.591 53.338 1.00 70.14 C ATOM 233 C THR A 24 -21.793 11.156 52.772 1.00 74.94 C ATOM 234 O THR A 24 -22.408 10.152 53.287 1.00 66.09 O ATOM 235 CB THR A 24 -19.263 11.103 52.459 1.00 70.36 C ATOM 236 OG1 THR A 24 -19.479 9.704 52.251 1.00 69.85 O ATOM 237 CG2 THR A 24 -17.881 11.352 53.048 1.00 69.78 C ATOM 238 HG1 THR A 24 -18.752 9.340 51.686 1.00 0.00 H ATOM 239 H THR A 24 -19.724 10.286 54.939 1.00 0.00 H ATOM 240 N THR A 25 -22.220 11.818 51.707 1.00 75.89 N ATOM 241 CA THR A 25 -23.335 11.374 50.843 1.00 82.83 C ATOM 242 C THR A 25 -23.344 9.839 50.747 1.00 80.50 C ATOM 243 O THR A 25 -24.430 9.240 50.922 1.00 79.57 O ATOM 244 CB THR A 25 -23.217 12.033 49.468 1.00 91.18 C ATOM 245 OG1 THR A 25 -22.750 13.381 49.626 1.00 93.02 O ATOM 246 CG2 THR A 25 -24.530 12.034 48.729 1.00 94.16 C ATOM 247 HG1 THR A 25 -21.864 13.372 50.067 1.00 0.00 H ATOM 248 H THR A 25 -21.740 12.708 51.463 1.00 0.00 H ATOM 249 N GLU A 26 -22.175 9.218 50.540 1.00 79.07 N ATOM 250 CA GLU A 26 -22.036 7.760 50.249 1.00 77.21 C ATOM 251 C GLU A 26 -22.097 6.926 51.535 1.00 71.63 C ATOM 252 O GLU A 26 -21.975 5.637 51.435 1.00 74.39 O ATOM 253 CB GLU A 26 -20.722 7.470 49.544 1.00 79.83 C ATOM 254 CG GLU A 26 -20.497 8.347 48.318 1.00 91.08 C ATOM 255 CD GLU A 26 -19.575 9.558 48.489 1.00 91.65 C ATOM 256 OE1 GLU A 26 -19.031 10.001 47.468 1.00 95.49 O ATOM 257 OE2 GLU A 26 -19.400 10.059 49.639 1.00 88.59 O ATOM 258 H GLU A 26 -21.307 9.789 50.585 1.00 0.00 H ATOM 259 N GLY A 27 -22.230 7.593 52.691 1.00 65.09 N ATOM 260 CA GLY A 27 -22.297 6.910 54.004 1.00 64.80 C ATOM 261 C GLY A 27 -20.918 6.559 54.550 1.00 60.09 C ATOM 262 O GLY A 27 -20.835 5.823 55.530 1.00 60.31 O ATOM 263 H GLY A 27 -22.288 8.631 52.665 1.00 0.00 H ATOM 264 N PHE A 28 -19.853 7.090 53.965 1.00 57.89 N ATOM 265 CA PHE A 28 -18.494 6.980 54.534 1.00 53.75 C ATOM 266 C PHE A 28 -18.477 7.730 55.859 1.00 52.79 C ATOM 267 O PHE A 28 -18.844 8.918 55.909 1.00 54.88 O ATOM 268 CB PHE A 28 -17.435 7.502 53.582 1.00 54.24 C ATOM 269 CG PHE A 28 -17.434 6.860 52.223 1.00 55.74 C ATOM 270 CD1 PHE A 28 -17.472 5.481 52.095 1.00 54.81 C ATOM 271 CD2 PHE A 28 -17.306 7.639 51.076 1.00 57.61 C ATOM 272 CE1 PHE A 28 -17.449 4.890 50.842 1.00 57.88 C ATOM 273 CE2 PHE A 28 -17.330 7.051 49.820 1.00 60.26 C ATOM 274 CZ PHE A 28 -17.397 5.674 49.707 1.00 60.36 C ATOM 275 H PHE A 28 -19.979 7.604 53.070 1.00 0.00 H ATOM 276 N THR A 29 -18.215 6.994 56.921 1.00 49.52 N ATOM 277 CA THR A 29 -18.243 7.493 58.313 1.00 50.81 C ATOM 278 C THR A 29 -16.842 7.935 58.697 1.00 48.24 C ATOM 279 O THR A 29 -16.714 8.658 59.688 1.00 50.00 O ATOM 280 CB THR A 29 -18.743 6.419 59.295 1.00 50.07 C ATOM 281 OG1 THR A 29 -17.917 5.265 59.120 1.00 48.13 O ATOM 282 CG2 THR A 29 -20.207 6.083 59.088 1.00 53.60 C ATOM 283 HG1 THR A 29 -16.975 5.502 59.313 1.00 0.00 H ATOM 284 H THR A 29 -17.972 5.994 56.770 1.00 0.00 H ATOM 285 N HIS A 30 -15.819 7.445 58.014 1.00 46.20 N ATOM 286 CA HIS A 30 -14.437 7.636 58.506 1.00 47.92 C ATOM 287 C HIS A 30 -13.545 8.222 57.444 1.00 48.14 C ATOM 288 O HIS A 30 -13.638 7.789 56.276 1.00 47.55 O ATOM 289 CB HIS A 30 -13.834 6.329 59.032 1.00 47.13 C ATOM 290 CG HIS A 30 -14.271 5.997 60.411 1.00 46.49 C ATOM 291 ND1 HIS A 30 -15.517 5.488 60.673 1.00 51.59 N ATOM 292 CD2 HIS A 30 -13.616 6.054 61.593 1.00 48.88 C ATOM 293 CE1 HIS A 30 -15.608 5.219 61.965 1.00 52.08 C ATOM 294 NE2 HIS A 30 -14.447 5.566 62.551 1.00 49.29 N ATOM 295 H HIS A 30 -15.987 6.925 57.129 1.00 0.00 H ATOM 296 N ASP A 31 -12.613 9.059 57.899 1.00 49.15 N ATOM 297 CA ASP A 31 -11.382 9.388 57.148 1.00 49.29 C ATOM 298 C ASP A 31 -10.268 8.465 57.649 1.00 45.39 C ATOM 299 O ASP A 31 -10.078 8.332 58.892 1.00 47.45 O ATOM 300 CB ASP A 31 -11.017 10.871 57.289 1.00 51.79 C ATOM 301 CG ASP A 31 -12.046 11.825 56.723 1.00 54.99 C ATOM 302 OD1 ASP A 31 -12.792 11.411 55.820 1.00 55.58 O ATOM 303 OD2 ASP A 31 -12.069 12.986 57.170 1.00 61.13 O ATOM 304 H ASP A 31 -12.759 9.503 58.828 1.00 0.00 H ATOM 305 N TRP A 32 -9.471 7.935 56.751 1.00 42.84 N ATOM 306 CA TRP A 32 -8.207 7.304 57.189 1.00 44.24 C ATOM 307 C TRP A 32 -7.070 7.567 56.217 1.00 42.03 C ATOM 308 O TRP A 32 -7.294 7.945 55.010 1.00 35.62 O ATOM 309 CB TRP A 32 -8.396 5.797 57.468 1.00 42.73 C ATOM 310 CG TRP A 32 -8.951 4.995 56.341 1.00 41.98 C ATOM 311 CD1 TRP A 32 -10.241 4.549 56.216 1.00 42.20 C ATOM 312 CD2 TRP A 32 -8.213 4.414 55.254 1.00 41.01 C ATOM 313 NE1 TRP A 32 -10.355 3.781 55.101 1.00 42.92 N ATOM 314 CE2 TRP A 32 -9.136 3.712 54.470 1.00 40.92 C ATOM 315 CE3 TRP A 32 -6.870 4.468 54.836 1.00 43.76 C ATOM 316 CZ2 TRP A 32 -8.754 3.009 53.330 1.00 42.58 C ATOM 317 CZ3 TRP A 32 -6.507 3.820 53.680 1.00 44.20 C ATOM 318 CH2 TRP A 32 -7.440 3.081 52.948 1.00 45.53 C ATOM 319 HE1 TRP A 32 -11.228 3.318 54.776 1.00 0.00 H ATOM 320 H TRP A 32 -9.725 7.958 55.743 1.00 0.00 H ATOM 321 N MET A 33 -5.893 7.324 56.728 1.00 39.77 N ATOM 322 CA MET A 33 -4.616 7.509 56.002 1.00 40.87 C ATOM 323 C MET A 33 -3.647 6.410 56.483 1.00 36.49 C ATOM 324 O MET A 33 -3.587 6.138 57.772 1.00 33.81 O ATOM 325 CB MET A 33 -4.065 8.913 56.242 1.00 40.68 C ATOM 326 CG MET A 33 -2.897 9.267 55.330 1.00 46.89 C ATOM 327 SD MET A 33 -1.218 8.827 56.027 1.00 50.67 S ATOM 328 CE MET A 33 -1.187 9.866 57.486 1.00 51.75 C ATOM 329 H MET A 33 -5.850 6.978 57.708 1.00 0.00 H ATOM 330 N VAL A 34 -3.097 5.678 55.533 1.00 31.77 N ATOM 331 CA VAL A 34 -2.066 4.627 55.784 1.00 36.66 C ATOM 332 C VAL A 34 -0.756 4.982 55.052 1.00 37.22 C ATOM 333 O VAL A 34 -0.786 5.651 53.948 1.00 35.94 O ATOM 334 CB VAL A 34 -2.580 3.231 55.381 1.00 36.64 C ATOM 335 CG1 VAL A 34 -2.825 3.155 53.896 1.00 37.04 C ATOM 336 CG2 VAL A 34 -1.641 2.116 55.808 1.00 38.05 C ATOM 337 H VAL A 34 -3.399 5.843 54.552 1.00 0.00 H ATOM 338 N PHE A 35 0.377 4.618 55.638 1.00 34.67 N ATOM 339 CA PHE A 35 1.677 5.105 55.134 1.00 33.66 C ATOM 340 C PHE A 35 2.767 4.115 55.433 1.00 32.35 C ATOM 341 O PHE A 35 2.631 3.220 56.320 1.00 32.51 O ATOM 342 CB PHE A 35 1.979 6.500 55.671 1.00 34.86 C ATOM 343 CG PHE A 35 2.191 6.552 57.165 1.00 36.73 C ATOM 344 CD1 PHE A 35 3.410 6.163 57.726 1.00 36.08 C ATOM 345 CD2 PHE A 35 1.145 6.866 58.016 1.00 33.44 C ATOM 346 CE1 PHE A 35 3.577 6.189 59.101 1.00 36.85 C ATOM 347 CE2 PHE A 35 1.309 6.842 59.386 1.00 33.36 C ATOM 348 CZ PHE A 35 2.528 6.562 59.918 1.00 33.73 C ATOM 349 H PHE A 35 0.350 3.983 56.461 1.00 0.00 H ATOM 350 N VAL A 36 3.801 4.222 54.612 1.00 34.69 N ATOM 351 CA VAL A 36 5.155 3.665 54.859 1.00 32.54 C ATOM 352 C VAL A 36 6.159 4.805 54.799 1.00 31.77 C ATOM 353 O VAL A 36 6.155 5.592 53.811 1.00 31.00 O ATOM 354 CB VAL A 36 5.478 2.536 53.877 1.00 32.24 C ATOM 355 CG1 VAL A 36 6.870 1.982 54.087 1.00 31.15 C ATOM 356 CG2 VAL A 36 4.458 1.436 53.959 1.00 32.15 C ATOM 357 H VAL A 36 3.652 4.738 53.722 1.00 0.00 H ATOM 358 N ARG A 37 6.995 4.910 55.830 1.00 32.09 N ATOM 359 CA ARG A 37 8.031 5.929 55.884 1.00 32.37 C ATOM 360 C ARG A 37 9.260 5.333 56.537 1.00 34.43 C ATOM 361 O ARG A 37 9.162 4.249 57.078 1.00 35.30 O ATOM 362 CB ARG A 37 7.487 7.154 56.615 1.00 36.09 C ATOM 363 CG ARG A 37 7.177 6.868 58.076 1.00 34.88 C ATOM 364 CD ARG A 37 6.680 8.086 58.805 1.00 37.10 C ATOM 365 NE ARG A 37 6.788 7.847 60.220 1.00 39.76 N ATOM 366 CZ ARG A 37 6.077 8.428 61.147 1.00 43.36 C ATOM 367 NH1 ARG A 37 5.179 9.316 60.814 1.00 45.66 N ATOM 368 NH2 ARG A 37 6.312 8.165 62.420 1.00 46.34 N ATOM 369 HE ARG A 37 7.495 7.150 60.531 1.00 0.00 H ATOM 370 HH12 ARG A 37 4.610 9.781 61.550 1.00 0.00 H ATOM 371 HH11 ARG A 37 5.033 9.558 59.813 1.00 0.00 H ATOM 372 HH22 ARG A 37 5.746 8.628 63.160 1.00 0.00 H ATOM 373 HH21 ARG A 37 7.063 7.495 62.683 1.00 0.00 H ATOM 374 H ARG A 37 6.904 4.242 56.622 1.00 0.00 H ATOM 375 N GLY A 38 10.387 6.032 56.465 1.00 37.27 N ATOM 376 CA GLY A 38 11.570 5.730 57.279 1.00 38.87 C ATOM 377 C GLY A 38 11.528 6.522 58.578 1.00 41.59 C ATOM 378 O GLY A 38 10.744 7.468 58.699 1.00 42.52 O ATOM 379 H GLY A 38 10.433 6.831 55.801 1.00 0.00 H ATOM 380 N PRO A 39 12.444 6.251 59.527 1.00 41.55 N ATOM 381 CA PRO A 39 12.670 7.162 60.629 1.00 48.62 C ATOM 382 C PRO A 39 13.123 8.537 60.107 1.00 52.64 C ATOM 383 O PRO A 39 13.467 8.664 58.915 1.00 50.14 O ATOM 384 CB PRO A 39 13.824 6.523 61.450 1.00 51.53 C ATOM 385 CG PRO A 39 14.015 5.143 60.879 1.00 46.59 C ATOM 386 CD PRO A 39 13.464 5.211 59.465 1.00 44.18 C ATOM 387 N GLU A 40 13.165 9.518 61.001 1.00 57.09 N ATOM 388 CA GLU A 40 13.513 10.919 60.675 1.00 63.41 C ATOM 389 C GLU A 40 14.956 10.980 60.172 1.00 65.20 C ATOM 390 O GLU A 40 15.806 10.259 60.723 1.00 69.23 O ATOM 391 CB GLU A 40 13.303 11.794 61.903 1.00 72.23 C ATOM 392 CG GLU A 40 11.847 12.174 62.108 1.00 76.66 C ATOM 393 CD GLU A 40 11.621 13.674 62.170 1.00 88.74 C ATOM 394 OE1 GLU A 40 12.602 14.409 61.948 1.00 95.83 O ATOM 395 OE2 GLU A 40 10.462 14.110 62.431 1.00 95.30 O ATOM 396 H GLU A 40 12.940 9.288 61.990 1.00 0.00 H ATOM 397 N GLN A 41 15.201 11.738 59.106 1.00 65.45 N ATOM 398 CA GLN A 41 16.559 11.968 58.549 1.00 68.77 C ATOM 399 C GLN A 41 17.048 10.764 57.722 1.00 66.49 C ATOM 400 O GLN A 41 18.222 10.809 57.247 1.00 67.18 O ATOM 401 CB GLN A 41 17.552 12.244 59.676 1.00 75.55 C ATOM 402 CG GLN A 41 17.287 13.555 60.391 1.00 81.45 C ATOM 403 CD GLN A 41 18.385 13.852 61.376 1.00 88.46 C ATOM 404 OE1 GLN A 41 19.422 13.194 61.391 1.00 95.17 O ATOM 405 NE2 GLN A 41 18.178 14.865 62.197 1.00 97.22 N ATOM 406 HE22 GLN A 41 17.285 15.397 62.152 1.00 0.00 H ATOM 407 HE21 GLN A 41 18.907 15.131 62.889 1.00 0.00 H ATOM 408 H GLN A 41 14.395 12.196 58.635 1.00 0.00 H ATOM 409 N CYS A 42 16.225 9.719 57.557 1.00 62.05 N ATOM 410 CA CYS A 42 16.497 8.605 56.614 1.00 59.40 C ATOM 411 C CYS A 42 15.670 8.790 55.369 1.00 57.45 C ATOM 412 O CYS A 42 14.549 9.274 55.464 1.00 64.08 O ATOM 413 CB CYS A 42 16.185 7.247 57.213 1.00 56.04 C ATOM 414 SG CYS A 42 17.165 6.942 58.692 1.00 59.47 S ATOM 415 H CYS A 42 15.350 9.687 58.119 1.00 0.00 H ATOM 416 N ASP A 43 16.143 8.218 54.289 1.00 56.02 N ATOM 417 CA ASP A 43 15.547 8.384 52.956 1.00 53.96 C ATOM 418 C ASP A 43 15.328 7.006 52.334 1.00 47.05 C ATOM 419 O ASP A 43 16.167 6.612 51.529 1.00 48.59 O ATOM 420 CB ASP A 43 16.455 9.249 52.096 1.00 58.30 C ATOM 421 CG ASP A 43 15.718 9.815 50.920 1.00 62.79 C ATOM 422 OD1 ASP A 43 14.686 9.196 50.521 1.00 65.54 O ATOM 423 OD2 ASP A 43 16.110 10.900 50.475 1.00 76.29 O ATOM 424 H ASP A 43 16.985 7.614 54.380 1.00 0.00 H ATOM 425 N ILE A 44 14.204 6.348 52.635 1.00 44.41 N ATOM 426 CA ILE A 44 13.958 4.940 52.221 1.00 41.00 C ATOM 427 C ILE A 44 13.801 4.883 50.712 1.00 39.82 C ATOM 428 O ILE A 44 13.894 3.810 50.177 1.00 41.37 O ATOM 429 CB ILE A 44 12.776 4.320 52.939 1.00 42.12 C ATOM 430 CG1 ILE A 44 11.436 4.928 52.504 1.00 43.77 C ATOM 431 CG2 ILE A 44 12.998 4.398 54.435 1.00 46.16 C ATOM 432 CD1 ILE A 44 10.239 4.197 53.045 1.00 45.26 C ATOM 433 H ILE A 44 13.470 6.841 53.182 1.00 0.00 H ATOM 434 N GLN A 45 13.675 6.010 50.056 1.00 39.13 N ATOM 435 CA GLN A 45 13.510 6.024 48.595 1.00 44.71 C ATOM 436 C GLN A 45 14.809 5.524 47.917 1.00 44.97 C ATOM 437 O GLN A 45 14.740 5.053 46.788 1.00 42.09 O ATOM 438 CB GLN A 45 13.124 7.412 48.105 1.00 48.83 C ATOM 439 CG GLN A 45 12.911 7.421 46.608 1.00 53.02 C ATOM 440 CD GLN A 45 12.594 8.797 46.097 1.00 59.32 C ATOM 441 OE1 GLN A 45 12.930 9.815 46.731 1.00 55.14 O ATOM 442 NE2 GLN A 45 11.911 8.821 44.958 1.00 57.56 N ATOM 443 HE22 GLN A 45 11.664 7.930 44.481 1.00 0.00 H ATOM 444 HE21 GLN A 45 11.624 9.730 44.543 1.00 0.00 H ATOM 445 H GLN A 45 13.692 6.910 50.577 1.00 0.00 H ATOM 446 N HIS A 46 15.949 5.575 48.607 1.00 46.99 N ATOM 447 CA HIS A 46 17.225 5.032 48.089 1.00 49.13 C ATOM 448 C HIS A 46 17.117 3.517 47.855 1.00 47.04 C ATOM 449 O HIS A 46 17.743 3.058 46.880 1.00 48.05 O ATOM 450 CB HIS A 46 18.395 5.420 48.983 1.00 52.76 C ATOM 451 CG HIS A 46 18.774 6.846 48.821 1.00 53.50 C ATOM 452 ND1 HIS A 46 18.475 7.790 49.768 1.00 53.74 N ATOM 453 CD2 HIS A 46 19.357 7.495 47.802 1.00 57.21 C ATOM 454 CE1 HIS A 46 18.873 8.966 49.345 1.00 56.87 C ATOM 455 NE2 HIS A 46 19.458 8.803 48.165 1.00 61.07 N ATOM 456 H HIS A 46 15.941 6.015 49.549 1.00 0.00 H ATOM 457 N PHE A 47 16.277 2.777 48.588 1.00 42.81 N ATOM 458 CA PHE A 47 16.219 1.305 48.400 1.00 42.86 C ATOM 459 C PHE A 47 14.816 0.807 48.072 1.00 40.71 C ATOM 460 O PHE A 47 14.668 -0.406 47.687 1.00 43.12 O ATOM 461 CB PHE A 47 16.843 0.597 49.599 1.00 45.20 C ATOM 462 CG PHE A 47 16.024 0.637 50.853 1.00 41.16 C ATOM 463 CD1 PHE A 47 15.084 -0.334 51.107 1.00 39.01 C ATOM 464 CD2 PHE A 47 16.241 1.615 51.805 1.00 41.11 C ATOM 465 CE1 PHE A 47 14.378 -0.321 52.304 1.00 39.10 C ATOM 466 CE2 PHE A 47 15.556 1.598 53.016 1.00 39.03 C ATOM 467 CZ PHE A 47 14.589 0.660 53.236 1.00 35.89 C ATOM 468 H PHE A 47 15.663 3.234 49.292 1.00 0.00 H ATOM 469 N VAL A 48 13.814 1.661 48.197 1.00 38.31 N ATOM 470 CA VAL A 48 12.404 1.283 47.951 1.00 37.81 C ATOM 471 C VAL A 48 12.030 1.689 46.535 1.00 41.74 C ATOM 472 O VAL A 48 12.030 2.901 46.257 1.00 47.85 O ATOM 473 CB VAL A 48 11.471 1.910 48.976 1.00 34.77 C ATOM 474 CG1 VAL A 48 10.031 1.712 48.591 1.00 37.30 C ATOM 475 CG2 VAL A 48 11.720 1.355 50.358 1.00 35.90 C ATOM 476 H VAL A 48 14.025 2.639 48.480 1.00 0.00 H ATOM 477 N GLU A 49 11.736 0.715 45.673 1.00 43.47 N ATOM 478 CA GLU A 49 11.277 0.974 44.279 1.00 45.18 C ATOM 479 C GLU A 49 9.871 1.582 44.341 1.00 44.43 C ATOM 480 O GLU A 49 9.672 2.668 43.780 1.00 48.23 O ATOM 481 CB GLU A 49 11.298 -0.307 43.438 1.00 46.61 C ATOM 482 CG GLU A 49 11.013 -0.066 41.946 1.00 50.31 C ATOM 483 CD GLU A 49 12.147 0.591 41.167 1.00 52.50 C ATOM 484 OE1 GLU A 49 13.182 -0.086 40.901 1.00 55.67 O ATOM 485 OE2 GLU A 49 12.013 1.769 40.843 1.00 54.17 O ATOM 486 H GLU A 49 11.831 -0.271 45.988 1.00 0.00 H ATOM 487 N LYS A 50 8.961 0.914 45.029 1.00 43.74 N ATOM 488 CA LYS A 50 7.561 1.350 45.170 1.00 41.84 C ATOM 489 C LYS A 50 6.932 0.666 46.370 1.00 38.40 C ATOM 490 O LYS A 50 7.492 -0.342 46.879 1.00 39.23 O ATOM 491 CB LYS A 50 6.754 1.018 43.923 1.00 42.63 C ATOM 492 CG LYS A 50 6.424 -0.462 43.749 1.00 44.76 C ATOM 493 CD LYS A 50 6.196 -0.839 42.299 1.00 46.75 C ATOM 494 CE LYS A 50 6.020 -2.330 42.119 1.00 49.85 C ATOM 495 NZ LYS A 50 5.572 -2.685 40.755 1.00 52.70 N ATOM 496 HZ1 LYS A 50 4.658 -2.228 40.562 1.00 0.00 H ATOM 497 HZ2 LYS A 50 6.277 -2.359 40.064 1.00 0.00 H ATOM 498 HZ3 LYS A 50 5.467 -3.717 40.684 1.00 0.00 H ATOM 499 H LYS A 50 9.250 0.031 45.497 1.00 0.00 H ATOM 500 N VAL A 51 5.826 1.223 46.822 1.00 36.17 N ATOM 501 CA VAL A 51 4.928 0.578 47.810 1.00 35.24 C ATOM 502 C VAL A 51 3.569 0.410 47.184 1.00 36.69 C ATOM 503 O VAL A 51 3.051 1.393 46.586 1.00 42.78 O ATOM 504 CB VAL A 51 4.842 1.399 49.097 1.00 33.55 C ATOM 505 CG1 VAL A 51 3.931 0.732 50.089 1.00 36.33 C ATOM 506 CG2 VAL A 51 6.230 1.624 49.648 1.00 31.92 C ATOM 507 H VAL A 51 5.569 2.166 46.466 1.00 0.00 H ATOM 508 N VAL A 52 3.039 -0.795 47.314 1.00 42.74 N ATOM 509 CA VAL A 52 1.665 -1.198 46.917 1.00 43.07 C ATOM 510 C VAL A 52 0.826 -1.445 48.159 1.00 39.12 C ATOM 511 O VAL A 52 1.166 -2.319 48.939 1.00 41.28 O ATOM 512 CB VAL A 52 1.682 -2.444 46.040 1.00 43.80 C ATOM 513 CG1 VAL A 52 0.274 -2.728 45.574 1.00 47.95 C ATOM 514 CG2 VAL A 52 2.650 -2.290 44.877 1.00 46.56 C ATOM 515 H VAL A 52 3.642 -1.531 47.734 1.00 0.00 H ATOM 516 N PHE A 53 -0.254 -0.706 48.261 1.00 38.35 N ATOM 517 CA PHE A 53 -1.333 -0.849 49.245 1.00 36.37 C ATOM 518 C PHE A 53 -2.513 -1.544 48.573 1.00 40.25 C ATOM 519 O PHE A 53 -2.906 -1.071 47.434 1.00 41.80 O ATOM 520 CB PHE A 53 -1.716 0.536 49.715 1.00 35.63 C ATOM 521 CG PHE A 53 -0.581 1.305 50.334 1.00 36.37 C ATOM 522 CD1 PHE A 53 0.190 2.150 49.566 1.00 34.94 C ATOM 523 CD2 PHE A 53 -0.334 1.248 51.716 1.00 35.63 C ATOM 524 CE1 PHE A 53 1.204 2.899 50.138 1.00 35.51 C ATOM 525 CE2 PHE A 53 0.665 2.042 52.286 1.00 34.22 C ATOM 526 CZ PHE A 53 1.416 2.873 51.497 1.00 33.02 C ATOM 527 H PHE A 53 -0.356 0.064 47.570 1.00 0.00 H ATOM 528 N TRP A 54 -2.897 -2.723 49.092 1.00 41.43 N ATOM 529 CA TRP A 54 -4.014 -3.554 48.565 1.00 45.02 C ATOM 530 C TRP A 54 -5.250 -3.262 49.409 1.00 43.33 C ATOM 531 O TRP A 54 -5.303 -3.770 50.512 1.00 43.64 O ATOM 532 CB TRP A 54 -3.656 -5.048 48.596 1.00 48.55 C ATOM 533 CG TRP A 54 -2.564 -5.418 47.649 1.00 52.89 C ATOM 534 CD1 TRP A 54 -1.220 -5.398 47.888 1.00 51.66 C ATOM 535 CD2 TRP A 54 -2.717 -5.798 46.267 1.00 53.67 C ATOM 536 NE1 TRP A 54 -0.527 -5.790 46.763 1.00 50.78 N ATOM 537 CE2 TRP A 54 -1.421 -6.038 45.754 1.00 53.64 C ATOM 538 CE3 TRP A 54 -3.818 -5.976 45.426 1.00 57.76 C ATOM 539 CZ2 TRP A 54 -1.199 -6.392 44.422 1.00 54.47 C ATOM 540 CZ3 TRP A 54 -3.601 -6.348 44.117 1.00 58.73 C ATOM 541 CH2 TRP A 54 -2.306 -6.528 43.623 1.00 57.44 C ATOM 542 HE1 TRP A 54 0.506 -5.883 46.691 1.00 0.00 H ATOM 543 H TRP A 54 -2.377 -3.079 49.919 1.00 0.00 H ATOM 544 N LEU A 55 -6.123 -2.362 48.960 1.00 43.92 N ATOM 545 CA LEU A 55 -7.318 -1.954 49.727 1.00 45.03 C ATOM 546 C LEU A 55 -8.364 -3.080 49.619 1.00 47.28 C ATOM 547 O LEU A 55 -8.269 -3.896 48.689 1.00 49.78 O ATOM 548 CB LEU A 55 -7.890 -0.648 49.160 1.00 47.11 C ATOM 549 CG LEU A 55 -6.969 0.558 49.041 1.00 47.51 C ATOM 550 CD1 LEU A 55 -7.781 1.836 48.889 1.00 48.26 C ATOM 551 CD2 LEU A 55 -6.057 0.689 50.208 1.00 46.46 C ATOM 552 H LEU A 55 -5.956 -1.928 48.030 1.00 0.00 H ATOM 553 N HIS A 56 -9.394 -3.038 50.455 1.00 46.33 N ATOM 554 CA HIS A 56 -10.593 -3.889 50.352 1.00 53.34 C ATOM 555 C HIS A 56 -11.093 -3.886 48.893 1.00 56.55 C ATOM 556 O HIS A 56 -11.012 -2.787 48.267 1.00 53.34 O ATOM 557 CB HIS A 56 -11.645 -3.402 51.356 1.00 55.99 C ATOM 558 CG HIS A 56 -12.785 -4.348 51.503 1.00 59.69 C ATOM 559 ND1 HIS A 56 -13.849 -4.335 50.648 1.00 65.70 N ATOM 560 CD2 HIS A 56 -12.970 -5.405 52.321 1.00 61.63 C ATOM 561 CE1 HIS A 56 -14.681 -5.312 50.966 1.00 65.59 C ATOM 562 NE2 HIS A 56 -14.180 -5.946 52.012 1.00 64.81 N ATOM 563 H HIS A 56 -9.352 -2.356 51.239 1.00 0.00 H ATOM 564 N ASP A 57 -11.567 -5.049 48.378 1.00 58.14 N ATOM 565 CA ASP A 57 -11.938 -5.275 46.939 1.00 61.20 C ATOM 566 C ASP A 57 -13.052 -4.271 46.566 1.00 60.31 C ATOM 567 O ASP A 57 -13.187 -3.965 45.397 1.00 65.23 O ATOM 568 CB ASP A 57 -12.406 -6.725 46.648 1.00 68.12 C ATOM 569 CG ASP A 57 -11.336 -7.814 46.402 1.00 69.66 C ATOM 570 OD1 ASP A 57 -10.130 -7.494 46.296 1.00 66.76 O ATOM 571 OD2 ASP A 57 -11.734 -8.991 46.291 1.00 74.24 O ATOM 572 H ASP A 57 -11.683 -5.849 49.032 1.00 0.00 H ATOM 573 N SER A 58 -13.759 -3.708 47.549 1.00 58.16 N ATOM 574 CA SER A 58 -14.885 -2.755 47.349 1.00 56.26 C ATOM 575 C SER A 58 -14.386 -1.400 46.860 1.00 54.63 C ATOM 576 O SER A 58 -15.219 -0.643 46.398 1.00 54.94 O ATOM 577 CB SER A 58 -15.679 -2.577 48.596 1.00 55.75 C ATOM 578 OG SER A 58 -14.845 -2.121 49.650 1.00 53.86 O ATOM 579 HG SER A 58 -14.129 -2.785 49.814 1.00 0.00 H ATOM 580 H SER A 58 -13.504 -3.954 48.527 1.00 0.00 H ATOM 581 N PHE A 59 -13.111 -1.053 47.076 1.00 51.93 N ATOM 582 CA PHE A 59 -12.535 0.273 46.725 1.00 50.21 C ATOM 583 C PHE A 59 -12.295 0.347 45.228 1.00 52.09 C ATOM 584 O PHE A 59 -11.941 -0.636 44.596 1.00 54.70 O ATOM 585 CB PHE A 59 -11.206 0.539 47.435 1.00 46.89 C ATOM 586 CG PHE A 59 -11.345 0.998 48.863 1.00 46.37 C ATOM 587 CD1 PHE A 59 -11.607 0.088 49.874 1.00 47.49 C ATOM 588 CD2 PHE A 59 -11.314 2.348 49.187 1.00 48.48 C ATOM 589 CE1 PHE A 59 -11.781 0.514 51.189 1.00 47.15 C ATOM 590 CE2 PHE A 59 -11.436 2.769 50.509 1.00 47.71 C ATOM 591 CZ PHE A 59 -11.717 1.852 51.502 1.00 46.60 C ATOM 592 H PHE A 59 -12.483 -1.755 47.517 1.00 0.00 H ATOM 593 N PRO A 60 -12.491 1.516 44.612 1.00 54.34 N ATOM 594 CA PRO A 60 -12.094 1.692 43.225 1.00 58.57 C ATOM 595 C PRO A 60 -10.564 1.601 43.176 1.00 56.64 C ATOM 596 O PRO A 60 -9.951 1.948 44.142 1.00 57.30 O ATOM 597 CB PRO A 60 -12.673 3.063 42.834 1.00 59.31 C ATOM 598 CG PRO A 60 -12.878 3.789 44.165 1.00 56.94 C ATOM 599 CD PRO A 60 -13.120 2.707 45.199 1.00 54.50 C ATOM 600 N LYS A 61 -10.019 0.953 42.150 1.00 57.03 N ATOM 601 CA LYS A 61 -8.574 0.724 41.979 1.00 56.44 C ATOM 602 C LYS A 61 -7.969 0.276 43.292 1.00 54.60 C ATOM 603 O LYS A 61 -7.126 0.971 43.831 1.00 51.70 O ATOM 604 CB LYS A 61 -7.937 2.034 41.531 1.00 60.50 C ATOM 605 CG LYS A 61 -8.441 2.531 40.186 1.00 66.27 C ATOM 606 CD LYS A 61 -7.963 1.629 39.071 1.00 72.76 C ATOM 607 CE LYS A 61 -8.699 1.839 37.779 1.00 77.79 C ATOM 608 NZ LYS A 61 -8.706 3.271 37.433 1.00 80.95 N ATOM 609 HZ1 LYS A 61 -9.179 3.807 38.189 1.00 0.00 H ATOM 610 HZ2 LYS A 61 -7.727 3.606 37.329 1.00 0.00 H ATOM 611 HZ3 LYS A 61 -9.217 3.408 36.538 1.00 0.00 H ATOM 612 H LYS A 61 -10.658 0.582 41.418 1.00 0.00 H ATOM 613 N PRO A 62 -8.323 -0.915 43.822 1.00 55.22 N ATOM 614 CA PRO A 62 -7.860 -1.324 45.157 1.00 51.76 C ATOM 615 C PRO A 62 -6.331 -1.509 45.254 1.00 49.62 C ATOM 616 O PRO A 62 -5.809 -1.421 46.328 1.00 51.70 O ATOM 617 CB PRO A 62 -8.609 -2.643 45.466 1.00 51.64 C ATOM 618 CG PRO A 62 -9.178 -3.112 44.119 1.00 57.00 C ATOM 619 CD PRO A 62 -9.147 -1.930 43.162 1.00 57.29 C ATOM 620 N ARG A 63 -5.653 -1.781 44.147 1.00 49.58 N ATOM 621 CA ARG A 63 -4.178 -1.912 44.113 1.00 48.99 C ATOM 622 C ARG A 63 -3.609 -0.514 43.955 1.00 47.21 C ATOM 623 O ARG A 63 -3.566 -0.020 42.836 1.00 48.74 O ATOM 624 CB ARG A 63 -3.701 -2.845 42.987 1.00 54.81 C ATOM 625 CG ARG A 63 -2.183 -3.001 42.934 1.00 54.68 C ATOM 626 CD ARG A 63 -1.696 -3.878 41.812 1.00 57.68 C ATOM 627 NE ARG A 63 -0.654 -3.245 41.029 1.00 59.73 N ATOM 628 CZ ARG A 63 0.646 -3.520 41.115 1.00 64.76 C ATOM 629 NH1 ARG A 63 1.091 -4.443 41.957 1.00 67.47 N ATOM 630 NH2 ARG A 63 1.503 -2.870 40.345 1.00 67.50 N ATOM 631 HE ARG A 63 -0.945 -2.518 40.345 1.00 0.00 H ATOM 632 HH12 ARG A 63 2.109 -4.648 42.014 1.00 0.00 H ATOM 633 HH11 ARG A 63 0.422 -4.962 42.561 1.00 0.00 H ATOM 634 HH22 ARG A 63 2.520 -3.079 40.407 1.00 0.00 H ATOM 635 HH21 ARG A 63 1.160 -2.150 39.678 1.00 0.00 H ATOM 636 H ARG A 63 -6.182 -1.908 43.261 1.00 0.00 H ATOM 637 N ARG A 64 -3.305 0.135 45.066 1.00 45.22 N ATOM 638 CA ARG A 64 -2.836 1.539 45.097 1.00 42.54 C ATOM 639 C ARG A 64 -1.316 1.556 45.174 1.00 43.40 C ATOM 640 O ARG A 64 -0.736 0.966 46.129 1.00 44.72 O ATOM 641 CB ARG A 64 -3.452 2.256 46.295 1.00 42.07 C ATOM 642 CG ARG A 64 -4.952 2.409 46.201 1.00 41.93 C ATOM 643 CD ARG A 64 -5.396 3.340 45.073 1.00 43.11 C ATOM 644 NE ARG A 64 -6.842 3.344 45.127 1.00 44.56 N ATOM 645 CZ ARG A 64 -7.573 3.990 46.019 1.00 43.75 C ATOM 646 NH1 ARG A 64 -7.028 4.848 46.867 1.00 43.79 N ATOM 647 NH2 ARG A 64 -8.875 3.811 46.025 1.00 45.90 N ATOM 648 HE ARG A 64 -7.348 2.793 44.404 1.00 0.00 H ATOM 649 HH12 ARG A 64 -7.624 5.344 47.560 1.00 0.00 H ATOM 650 HH11 ARG A 64 -6.004 5.026 46.840 1.00 0.00 H ATOM 651 HH22 ARG A 64 -9.465 4.311 46.720 1.00 0.00 H ATOM 652 HH21 ARG A 64 -9.315 3.169 45.335 1.00 0.00 H ATOM 653 H ARG A 64 -3.401 -0.370 45.970 1.00 0.00 H ATOM 654 N VAL A 65 -0.685 2.233 44.238 1.00 43.95 N ATOM 655 CA VAL A 65 0.778 2.172 44.056 1.00 46.10 C ATOM 656 C VAL A 65 1.344 3.551 44.350 1.00 43.08 C ATOM 657 O VAL A 65 0.864 4.484 43.742 1.00 44.84 O ATOM 658 CB VAL A 65 1.137 1.710 42.628 1.00 49.07 C ATOM 659 CG1 VAL A 65 2.644 1.423 42.498 1.00 48.10 C ATOM 660 CG2 VAL A 65 0.314 0.481 42.237 1.00 51.98 C ATOM 661 H VAL A 65 -1.241 2.837 43.599 1.00 0.00 H ATOM 662 N CYS A 66 2.439 3.622 45.104 1.00 41.65 N ATOM 663 CA CYS A 66 3.274 4.843 45.253 1.00 41.81 C ATOM 664 C CYS A 66 4.701 4.519 44.811 1.00 41.79 C ATOM 665 O CYS A 66 5.358 3.712 45.452 1.00 38.60 O ATOM 666 CB CYS A 66 3.269 5.353 46.693 1.00 42.39 C ATOM 667 SG CYS A 66 1.641 5.839 47.308 1.00 43.21 S ATOM 668 H CYS A 66 2.729 2.768 45.622 1.00 0.00 H ATOM 669 N LYS A 67 5.171 5.139 43.747 1.00 48.80 N ATOM 670 CA LYS A 67 6.519 4.846 43.220 1.00 54.94 C ATOM 671 C LYS A 67 7.499 5.860 43.807 1.00 52.79 C ATOM 672 O LYS A 67 8.687 5.723 43.541 1.00 49.46 O ATOM 673 CB LYS A 67 6.529 4.853 41.691 1.00 63.71 C ATOM 674 CG LYS A 67 5.714 3.743 41.035 1.00 68.06 C ATOM 675 CD LYS A 67 5.450 4.018 39.568 1.00 76.11 C ATOM 676 CE LYS A 67 4.865 2.827 38.838 1.00 85.57 C ATOM 677 NZ LYS A 67 5.900 1.803 38.541 1.00 91.15 N ATOM 678 HZ1 LYS A 67 6.640 2.223 37.943 1.00 0.00 H ATOM 679 HZ2 LYS A 67 6.320 1.468 39.431 1.00 0.00 H ATOM 680 HZ3 LYS A 67 5.461 1.003 38.041 1.00 0.00 H ATOM 681 H LYS A 67 4.580 5.849 43.269 1.00 0.00 H ATOM 682 N GLU A 68 7.006 6.835 44.573 1.00 47.16 N ATOM 683 CA GLU A 68 7.875 7.806 45.253 1.00 47.48 C ATOM 684 C GLU A 68 7.158 8.384 46.477 1.00 42.86 C ATOM 685 O GLU A 68 5.971 8.159 46.698 1.00 43.97 O ATOM 686 CB GLU A 68 8.368 8.843 44.255 1.00 52.65 C ATOM 687 CG GLU A 68 7.364 9.934 44.028 1.00 61.43 C ATOM 688 CD GLU A 68 6.445 9.680 42.860 1.00 69.73 C ATOM 689 OE1 GLU A 68 5.711 8.685 42.910 1.00 76.15 O ATOM 690 OE2 GLU A 68 6.471 10.497 41.905 1.00 85.46 O ATOM 691 H GLU A 68 5.976 6.910 44.693 1.00 0.00 H ATOM 692 N PRO A 69 7.917 8.939 47.432 1.00 41.40 N ATOM 693 CA PRO A 69 7.324 9.449 48.648 1.00 41.78 C ATOM 694 C PRO A 69 6.448 10.640 48.266 1.00 41.33 C ATOM 695 O PRO A 69 6.754 11.377 47.343 1.00 40.82 O ATOM 696 CB PRO A 69 8.506 9.888 49.558 1.00 43.42 C ATOM 697 CG PRO A 69 9.794 9.487 48.797 1.00 42.61 C ATOM 698 CD PRO A 69 9.376 9.093 47.396 1.00 42.68 C ATOM 699 N PRO A 70 5.342 10.867 48.988 1.00 40.81 N ATOM 700 CA PRO A 70 5.007 10.028 50.148 1.00 38.66 C ATOM 701 C PRO A 70 4.441 8.677 49.741 1.00 36.98 C ATOM 702 O PRO A 70 3.604 8.647 48.880 1.00 41.81 O ATOM 703 CB PRO A 70 3.941 10.861 50.876 1.00 38.06 C ATOM 704 CG PRO A 70 3.289 11.640 49.773 1.00 40.76 C ATOM 705 CD PRO A 70 4.409 11.977 48.787 1.00 42.07 C ATOM 706 N TYR A 71 4.805 7.622 50.450 1.00 36.00 N ATOM 707 CA TYR A 71 4.153 6.297 50.337 1.00 36.08 C ATOM 708 C TYR A 71 2.920 6.278 51.245 1.00 37.22 C ATOM 709 O TYR A 71 3.034 5.887 52.434 1.00 33.82 O ATOM 710 CB TYR A 71 5.148 5.186 50.678 1.00 36.59 C ATOM 711 CG TYR A 71 6.467 5.304 49.962 1.00 36.51 C ATOM 712 CD1 TYR A 71 6.556 5.065 48.595 1.00 35.42 C ATOM 713 CD2 TYR A 71 7.608 5.740 50.618 1.00 36.34 C ATOM 714 CE1 TYR A 71 7.752 5.208 47.920 1.00 38.12 C ATOM 715 CE2 TYR A 71 8.818 5.861 49.953 1.00 36.61 C ATOM 716 CZ TYR A 71 8.893 5.580 48.595 1.00 37.62 C ATOM 717 OH TYR A 71 10.056 5.730 47.902 1.00 38.05 O ATOM 718 HH TYR A 71 9.909 5.482 46.955 1.00 0.00 H ATOM 719 H TYR A 71 5.591 7.728 51.123 1.00 0.00 H ATOM 720 N LYS A 72 1.748 6.626 50.712 1.00 35.94 N ATOM 721 CA LYS A 72 0.542 6.671 51.548 1.00 38.08 C ATOM 722 C LYS A 72 -0.712 6.561 50.703 1.00 37.85 C ATOM 723 O LYS A 72 -0.677 6.899 49.547 1.00 38.33 O ATOM 724 CB LYS A 72 0.553 7.973 52.369 1.00 42.30 C ATOM 725 CG LYS A 72 0.384 9.235 51.568 1.00 44.27 C ATOM 726 CD LYS A 72 0.106 10.449 52.400 1.00 48.19 C ATOM 727 CE LYS A 72 -0.251 11.619 51.541 1.00 47.17 C ATOM 728 NZ LYS A 72 -0.174 12.882 52.294 1.00 55.32 N ATOM 729 HZ1 LYS A 72 -0.835 12.847 53.096 1.00 0.00 H ATOM 730 HZ2 LYS A 72 0.795 13.015 52.647 1.00 0.00 H ATOM 731 HZ3 LYS A 72 -0.428 13.673 51.668 1.00 0.00 H ATOM 732 H LYS A 72 1.688 6.866 49.702 1.00 0.00 H ATOM 733 N VAL A 73 -1.801 6.172 51.329 1.00 38.85 N ATOM 734 CA VAL A 73 -3.162 6.281 50.767 1.00 38.52 C ATOM 735 C VAL A 73 -3.983 7.065 51.745 1.00 38.85 C ATOM 736 O VAL A 73 -3.925 6.735 52.940 1.00 38.69 O ATOM 737 CB VAL A 73 -3.732 4.897 50.534 1.00 38.87 C ATOM 738 CG1 VAL A 73 -5.168 4.942 50.018 1.00 43.50 C ATOM 739 CG2 VAL A 73 -2.826 4.124 49.609 1.00 41.92 C ATOM 740 H VAL A 73 -1.697 5.762 52.279 1.00 0.00 H ATOM 741 N GLU A 74 -4.688 8.074 51.255 1.00 40.13 N ATOM 742 CA GLU A 74 -5.763 8.779 51.992 1.00 44.36 C ATOM 743 C GLU A 74 -7.121 8.349 51.438 1.00 43.58 C ATOM 744 O GLU A 74 -7.346 8.497 50.220 1.00 44.90 O ATOM 745 CB GLU A 74 -5.569 10.288 51.897 1.00 47.33 C ATOM 746 CG GLU A 74 -4.380 10.740 52.696 1.00 53.94 C ATOM 747 CD GLU A 74 -3.788 12.082 52.324 1.00 63.59 C ATOM 748 OE1 GLU A 74 -3.595 12.361 51.108 1.00 65.60 O ATOM 749 OE2 GLU A 74 -3.507 12.832 53.247 1.00 76.63 O ATOM 750 H GLU A 74 -4.473 8.393 50.289 1.00 0.00 H ATOM 751 N GLU A 75 -8.027 7.947 52.313 1.00 42.41 N ATOM 752 CA GLU A 75 -9.358 7.470 51.897 1.00 43.11 C ATOM 753 C GLU A 75 -10.394 7.864 52.926 1.00 42.42 C ATOM 754 O GLU A 75 -10.057 8.321 54.001 1.00 43.62 O ATOM 755 CB GLU A 75 -9.347 5.956 51.711 1.00 44.59 C ATOM 756 CG GLU A 75 -9.021 5.521 50.301 1.00 43.84 C ATOM 757 CD GLU A 75 -10.067 5.891 49.271 1.00 47.68 C ATOM 758 OE1 GLU A 75 -9.874 5.496 48.098 1.00 48.97 O ATOM 759 OE2 GLU A 75 -11.079 6.624 49.639 1.00 48.19 O ATOM 760 H GLU A 75 -7.793 7.968 53.326 1.00 0.00 H ATOM 761 N SER A 76 -11.634 7.696 52.555 1.00 44.97 N ATOM 762 CA SER A 76 -12.781 7.605 53.471 1.00 45.69 C ATOM 763 C SER A 76 -13.414 6.226 53.267 1.00 46.39 C ATOM 764 O SER A 76 -13.149 5.581 52.231 1.00 45.76 O ATOM 765 CB SER A 76 -13.750 8.730 53.221 1.00 49.36 C ATOM 766 OG SER A 76 -13.277 9.943 53.791 1.00 51.53 O ATOM 767 HG SER A 76 -13.169 9.827 54.768 1.00 0.00 H ATOM 768 H SER A 76 -11.825 7.621 51.536 1.00 0.00 H ATOM 769 N GLY A 77 -14.116 5.734 54.262 1.00 47.09 N ATOM 770 CA GLY A 77 -14.678 4.384 54.196 1.00 49.59 C ATOM 771 C GLY A 77 -15.612 4.132 55.353 1.00 50.53 C ATOM 772 O GLY A 77 -15.859 5.092 56.182 1.00 49.59 O ATOM 773 H GLY A 77 -14.275 6.313 55.111 1.00 0.00 H ATOM 774 N TYR A 78 -16.116 2.910 55.451 1.00 50.16 N ATOM 775 CA TYR A 78 -17.201 2.523 56.391 1.00 53.08 C ATOM 776 C TYR A 78 -16.663 1.568 57.480 1.00 52.63 C ATOM 777 O TYR A 78 -17.334 1.434 58.499 1.00 57.91 O ATOM 778 CB TYR A 78 -18.323 1.764 55.680 1.00 53.35 C ATOM 779 CG TYR A 78 -18.849 2.287 54.367 1.00 52.87 C ATOM 780 CD1 TYR A 78 -19.754 3.343 54.327 1.00 53.74 C ATOM 781 CD2 TYR A 78 -18.681 1.550 53.202 1.00 52.92 C ATOM 782 CE1 TYR A 78 -20.375 3.729 53.148 1.00 53.88 C ATOM 783 CE2 TYR A 78 -19.286 1.932 52.006 1.00 55.40 C ATOM 784 CZ TYR A 78 -20.136 3.028 51.978 1.00 54.81 C ATOM 785 OH TYR A 78 -20.748 3.411 50.815 1.00 57.84 O ATOM 786 HH TYR A 78 -21.312 4.206 50.987 1.00 0.00 H ATOM 787 H TYR A 78 -15.727 2.173 54.829 1.00 0.00 H ATOM 788 N ALA A 79 -15.550 0.872 57.218 1.00 50.58 N ATOM 789 CA ALA A 79 -15.039 -0.193 58.131 1.00 50.14 C ATOM 790 C ALA A 79 -13.531 -0.411 57.947 1.00 48.82 C ATOM 791 O ALA A 79 -12.977 -0.092 56.854 1.00 44.58 O ATOM 792 CB ALA A 79 -15.798 -1.482 57.913 1.00 49.74 C ATOM 793 H ALA A 79 -15.022 1.081 56.347 1.00 0.00 H ATOM 794 N GLY A 80 -12.897 -0.952 58.985 1.00 46.78 N ATOM 795 CA GLY A 80 -11.513 -1.399 58.955 1.00 44.85 C ATOM 796 C GLY A 80 -11.388 -2.662 58.125 1.00 46.36 C ATOM 797 O GLY A 80 -12.411 -3.294 57.851 1.00 49.51 O ATOM 798 H GLY A 80 -13.425 -1.062 59.874 1.00 0.00 H ATOM 799 N PHE A 81 -10.172 -3.016 57.718 1.00 43.67 N ATOM 800 CA PHE A 81 -9.877 -4.317 57.088 1.00 43.02 C ATOM 801 C PHE A 81 -8.392 -4.581 57.234 1.00 41.29 C ATOM 802 O PHE A 81 -7.682 -3.695 57.636 1.00 40.81 O ATOM 803 CB PHE A 81 -10.330 -4.288 55.622 1.00 43.49 C ATOM 804 CG PHE A 81 -9.775 -3.132 54.846 1.00 43.38 C ATOM 805 CD1 PHE A 81 -10.317 -1.870 54.976 1.00 42.67 C ATOM 806 CD2 PHE A 81 -8.665 -3.285 54.034 1.00 44.25 C ATOM 807 CE1 PHE A 81 -9.800 -0.808 54.271 1.00 39.95 C ATOM 808 CE2 PHE A 81 -8.144 -2.211 53.347 1.00 41.71 C ATOM 809 CZ PHE A 81 -8.704 -0.975 53.485 1.00 39.72 C ATOM 810 H PHE A 81 -9.391 -2.342 57.850 1.00 0.00 H ATOM 811 N ILE A 82 -7.987 -5.772 56.864 1.00 43.81 N ATOM 812 CA ILE A 82 -6.593 -6.230 56.713 1.00 46.80 C ATOM 813 C ILE A 82 -6.073 -5.814 55.327 1.00 45.89 C ATOM 814 O ILE A 82 -6.673 -6.199 54.300 1.00 43.82 O ATOM 815 CB ILE A 82 -6.512 -7.735 56.937 1.00 49.12 C ATOM 816 CG1 ILE A 82 -7.031 -8.131 58.320 1.00 55.40 C ATOM 817 CG2 ILE A 82 -5.100 -8.202 56.726 1.00 52.63 C ATOM 818 CD1 ILE A 82 -6.281 -7.498 59.465 1.00 55.97 C ATOM 819 H ILE A 82 -8.729 -6.470 56.654 1.00 0.00 H ATOM 820 N MET A 83 -5.001 -5.039 55.320 1.00 41.46 N ATOM 821 CA MET A 83 -4.432 -4.463 54.098 1.00 43.79 C ATOM 822 C MET A 83 -3.044 -5.068 53.876 1.00 44.40 C ATOM 823 O MET A 83 -2.097 -4.769 54.599 1.00 42.58 O ATOM 824 CB MET A 83 -4.351 -2.941 54.241 1.00 42.66 C ATOM 825 CG MET A 83 -3.670 -2.278 53.094 1.00 42.40 C ATOM 826 SD MET A 83 -3.456 -0.528 53.335 1.00 41.08 S ATOM 827 CE MET A 83 -5.105 0.060 53.695 1.00 44.90 C ATOM 828 H MET A 83 -4.539 -4.828 56.227 1.00 0.00 H ATOM 829 N PRO A 84 -2.876 -5.934 52.861 1.00 43.38 N ATOM 830 CA PRO A 84 -1.548 -6.322 52.421 1.00 42.50 C ATOM 831 C PRO A 84 -0.796 -5.077 51.941 1.00 40.00 C ATOM 832 O PRO A 84 -1.363 -4.284 51.224 1.00 42.66 O ATOM 833 CB PRO A 84 -1.813 -7.338 51.286 1.00 44.19 C ATOM 834 CG PRO A 84 -3.213 -7.849 51.568 1.00 45.68 C ATOM 835 CD PRO A 84 -3.941 -6.654 52.151 1.00 45.50 C ATOM 836 N ILE A 85 0.425 -4.874 52.418 1.00 38.53 N ATOM 837 CA ILE A 85 1.295 -3.771 51.952 1.00 38.89 C ATOM 838 C ILE A 85 2.584 -4.402 51.474 1.00 43.98 C ATOM 839 O ILE A 85 3.212 -5.153 52.245 1.00 44.51 O ATOM 840 CB ILE A 85 1.525 -2.720 53.052 1.00 41.45 C ATOM 841 CG1 ILE A 85 0.194 -2.203 53.593 1.00 41.09 C ATOM 842 CG2 ILE A 85 2.419 -1.592 52.552 1.00 39.14 C ATOM 843 CD1 ILE A 85 0.338 -1.119 54.603 1.00 41.19 C ATOM 844 H ILE A 85 0.786 -5.517 53.151 1.00 0.00 H ATOM 845 N GLU A 86 2.908 -4.194 50.214 1.00 42.42 N ATOM 846 CA GLU A 86 4.154 -4.702 49.649 1.00 43.67 C ATOM 847 C GLU A 86 5.114 -3.554 49.486 1.00 40.32 C ATOM 848 O GLU A 86 4.789 -2.579 48.774 1.00 37.61 O ATOM 849 CB GLU A 86 3.921 -5.350 48.295 1.00 49.05 C ATOM 850 CG GLU A 86 2.903 -6.442 48.307 1.00 55.34 C ATOM 851 CD GLU A 86 2.757 -7.035 46.903 1.00 58.53 C ATOM 852 OE1 GLU A 86 2.541 -6.249 45.931 1.00 58.50 O ATOM 853 OE2 GLU A 86 3.071 -8.213 46.768 1.00 59.35 O ATOM 854 H GLU A 86 2.259 -3.654 49.606 1.00 0.00 H ATOM 855 N VAL A 87 6.310 -3.750 49.992 1.00 40.20 N ATOM 856 CA VAL A 87 7.428 -2.808 49.815 1.00 39.11 C ATOM 857 C VAL A 87 8.451 -3.465 48.894 1.00 41.76 C ATOM 858 O VAL A 87 9.055 -4.479 49.294 1.00 40.61 O ATOM 859 CB VAL A 87 8.017 -2.439 51.182 1.00 39.11 C ATOM 860 CG1 VAL A 87 9.134 -1.428 51.008 1.00 40.19 C ATOM 861 CG2 VAL A 87 6.924 -1.928 52.126 1.00 37.14 C ATOM 862 H VAL A 87 6.476 -4.614 50.546 1.00 0.00 H ATOM 863 N HIS A 88 8.517 -3.007 47.656 1.00 40.24 N ATOM 864 CA HIS A 88 9.424 -3.545 46.622 1.00 40.96 C ATOM 865 C HIS A 88 10.746 -2.824 46.750 1.00 39.36 C ATOM 866 O HIS A 88 10.739 -1.647 47.107 1.00 37.94 O ATOM 867 CB HIS A 88 8.795 -3.399 45.239 1.00 43.37 C ATOM 868 CG HIS A 88 7.516 -4.163 45.091 1.00 45.17 C ATOM 869 ND1 HIS A 88 7.389 -5.215 44.242 1.00 49.53 N ATOM 870 CD2 HIS A 88 6.310 -4.022 45.682 1.00 46.49 C ATOM 871 CE1 HIS A 88 6.152 -5.674 44.274 1.00 48.11 C ATOM 872 NE2 HIS A 88 5.472 -4.962 45.142 1.00 47.79 N ATOM 873 H HIS A 88 7.891 -2.219 47.394 1.00 0.00 H ATOM 874 N PHE A 89 11.842 -3.509 46.493 1.00 40.46 N ATOM 875 CA PHE A 89 13.187 -2.961 46.710 1.00 40.54 C ATOM 876 C PHE A 89 13.846 -2.704 45.361 1.00 44.37 C ATOM 877 O PHE A 89 13.464 -3.357 44.419 1.00 44.41 O ATOM 878 CB PHE A 89 14.023 -3.917 47.541 1.00 41.02 C ATOM 879 CG PHE A 89 13.422 -4.320 48.860 1.00 39.53 C ATOM 880 CD1 PHE A 89 13.022 -3.374 49.772 1.00 37.75 C ATOM 881 CD2 PHE A 89 13.322 -5.660 49.208 1.00 40.39 C ATOM 882 CE1 PHE A 89 12.494 -3.751 50.998 1.00 37.93 C ATOM 883 CE2 PHE A 89 12.818 -6.034 50.444 1.00 40.40 C ATOM 884 CZ PHE A 89 12.397 -5.087 51.329 1.00 36.40 C ATOM 885 H PHE A 89 11.751 -4.476 46.122 1.00 0.00 H ATOM 886 N LYS A 90 14.824 -1.791 45.331 1.00 43.71 N ATOM 887 CA LYS A 90 15.783 -1.593 44.220 1.00 48.63 C ATOM 888 C LYS A 90 16.918 -2.610 44.363 1.00 50.34 C ATOM 889 O LYS A 90 18.111 -2.193 44.455 1.00 48.48 O ATOM 890 CB LYS A 90 16.252 -0.138 44.226 1.00 48.42 C ATOM 891 CG LYS A 90 15.126 0.862 44.065 1.00 48.31 C ATOM 892 CD LYS A 90 15.503 2.277 44.437 1.00 49.81 C ATOM 893 CE LYS A 90 14.577 3.257 43.774 1.00 48.43 C ATOM 894 NZ LYS A 90 14.866 4.638 44.185 1.00 49.69 N ATOM 895 HZ1 LYS A 90 14.752 4.723 45.215 1.00 0.00 H ATOM 896 HZ2 LYS A 90 15.843 4.879 43.922 1.00 0.00 H ATOM 897 HZ3 LYS A 90 14.207 5.286 43.707 1.00 0.00 H ATOM 898 H LYS A 90 14.919 -1.168 46.158 1.00 0.00 H ATOM 899 N ASN A 91 16.546 -3.897 44.363 1.00 53.92 N ATOM 900 CA ASN A 91 17.433 -5.063 44.613 1.00 55.93 C ATOM 901 C ASN A 91 17.420 -5.939 43.367 1.00 57.29 C ATOM 902 O ASN A 91 16.348 -6.217 42.870 1.00 59.01 O ATOM 903 CB ASN A 91 17.018 -5.870 45.866 1.00 55.62 C ATOM 904 CG ASN A 91 18.145 -6.729 46.421 1.00 55.87 C ATOM 905 OD1 ASN A 91 19.253 -6.766 45.858 1.00 60.32 O ATOM 906 ND2 ASN A 91 17.876 -7.445 47.507 1.00 52.17 N ATOM 907 HD22 ASN A 91 16.936 -7.386 47.949 1.00 0.00 H ATOM 908 HD21 ASN A 91 18.605 -8.064 47.915 1.00 0.00 H ATOM 909 H ASN A 91 15.544 -4.099 44.170 1.00 0.00 H ATOM 910 N LYS A 92 18.588 -6.307 42.867 1.00 63.75 N ATOM 911 CA LYS A 92 18.710 -7.129 41.646 1.00 70.62 C ATOM 912 C LYS A 92 18.348 -8.565 42.003 1.00 66.63 C ATOM 913 O LYS A 92 17.952 -9.288 41.098 1.00 70.32 O ATOM 914 CB LYS A 92 20.125 -7.064 41.074 1.00 77.02 C ATOM 915 CG LYS A 92 20.593 -5.676 40.689 1.00 87.13 C ATOM 916 CD LYS A 92 19.839 -5.107 39.519 1.00 98.72 C ATOM 917 CE LYS A 92 20.438 -3.808 39.022 1.00109.35 C ATOM 918 NZ LYS A 92 19.646 -3.225 37.914 1.00117.66 N ATOM 919 HZ1 LYS A 92 19.616 -3.896 37.120 1.00 0.00 H ATOM 920 HZ2 LYS A 92 18.679 -3.034 38.244 1.00 0.00 H ATOM 921 HZ3 LYS A 92 20.089 -2.337 37.602 1.00 0.00 H ATOM 922 H LYS A 92 19.456 -6.005 43.354 1.00 0.00 H ATOM 923 N GLU A 93 18.550 -8.960 43.266 1.00 60.10 N ATOM 924 CA GLU A 93 18.451 -10.378 43.716 1.00 58.10 C ATOM 925 C GLU A 93 17.375 -10.486 44.803 1.00 50.48 C ATOM 926 O GLU A 93 16.677 -9.507 45.063 1.00 50.02 O ATOM 927 CB GLU A 93 19.819 -10.898 44.196 1.00 61.73 C ATOM 928 CG GLU A 93 20.429 -10.102 45.364 1.00 62.59 C ATOM 929 CD GLU A 93 21.656 -10.722 46.065 1.00 64.66 C ATOM 930 OE1 GLU A 93 22.434 -11.403 45.399 1.00 62.55 O ATOM 931 OE2 GLU A 93 21.852 -10.464 47.296 1.00 70.40 O ATOM 932 H GLU A 93 18.790 -8.237 43.974 1.00 0.00 H ATOM 933 N GLU A 94 17.313 -11.608 45.469 1.00 45.98 N ATOM 934 CA GLU A 94 16.349 -11.865 46.555 1.00 45.10 C ATOM 935 C GLU A 94 16.914 -11.264 47.837 1.00 45.42 C ATOM 936 O GLU A 94 18.132 -11.142 47.985 1.00 46.34 O ATOM 937 CB GLU A 94 16.114 -13.369 46.704 1.00 45.85 C ATOM 938 CG GLU A 94 15.299 -13.979 45.582 1.00 47.94 C ATOM 939 CD GLU A 94 14.900 -15.449 45.804 1.00 51.15 C ATOM 940 OE1 GLU A 94 15.372 -16.078 46.850 1.00 48.42 O ATOM 941 OE2 GLU A 94 14.152 -15.993 44.925 1.00 51.35 O ATOM 942 H GLU A 94 17.982 -12.364 45.219 1.00 0.00 H ATOM 943 N PRO A 95 16.057 -10.753 48.745 1.00 46.63 N ATOM 944 CA PRO A 95 14.642 -10.534 48.447 1.00 45.95 C ATOM 945 C PRO A 95 14.370 -9.214 47.686 1.00 45.07 C ATOM 946 O PRO A 95 15.080 -8.225 47.879 1.00 42.36 O ATOM 947 CB PRO A 95 14.018 -10.512 49.854 1.00 46.08 C ATOM 948 CG PRO A 95 15.106 -9.916 50.733 1.00 44.64 C ATOM 949 CD PRO A 95 16.418 -10.335 50.106 1.00 46.75 C ATOM 950 N ARG A 96 13.343 -9.239 46.848 1.00 44.89 N ATOM 951 CA ARG A 96 12.932 -8.144 45.941 1.00 47.94 C ATOM 952 C ARG A 96 11.897 -7.278 46.640 1.00 45.56 C ATOM 953 O ARG A 96 11.659 -6.160 46.182 1.00 46.73 O ATOM 954 CB ARG A 96 12.266 -8.712 44.687 1.00 51.48 C ATOM 955 CG ARG A 96 13.218 -9.429 43.759 1.00 59.40 C ATOM 956 CD ARG A 96 14.053 -8.408 43.009 1.00 64.22 C ATOM 957 NE ARG A 96 15.075 -9.080 42.262 1.00 71.68 N ATOM 958 CZ ARG A 96 14.837 -9.846 41.199 1.00 83.46 C ATOM 959 NH1 ARG A 96 13.608 -9.974 40.720 1.00 84.54 N ATOM 960 NH2 ARG A 96 15.837 -10.465 40.598 1.00 88.09 N ATOM 961 HE ARG A 96 16.062 -8.962 42.569 1.00 0.00 H ATOM 962 HH12 ARG A 96 13.434 -10.575 39.889 1.00 0.00 H ATOM 963 HH11 ARG A 96 12.818 -9.474 41.175 1.00 0.00 H ATOM 964 HH22 ARG A 96 15.654 -11.064 39.768 1.00 0.00 H ATOM 965 HH21 ARG A 96 16.807 -10.354 40.955 1.00 0.00 H ATOM 966 H ARG A 96 12.773 -10.109 46.826 1.00 0.00 H ATOM 967 N LYS A 97 11.146 -7.870 47.548 1.00 41.88 N ATOM 968 CA LYS A 97 10.051 -7.180 48.227 1.00 42.25 C ATOM 969 C LYS A 97 9.857 -7.772 49.624 1.00 42.50 C ATOM 970 O LYS A 97 10.362 -8.832 49.893 1.00 42.49 O ATOM 971 CB LYS A 97 8.773 -7.267 47.425 1.00 42.51 C ATOM 972 CG LYS A 97 8.280 -8.673 47.216 1.00 46.36 C ATOM 973 CD LYS A 97 6.904 -8.687 46.685 1.00 50.79 C ATOM 974 CE LYS A 97 6.437 -10.046 46.261 1.00 55.31 C ATOM 975 NZ LYS A 97 5.350 -9.895 45.279 1.00 61.80 N ATOM 976 HZ1 LYS A 97 4.562 -9.373 45.713 1.00 0.00 H ATOM 977 HZ2 LYS A 97 5.702 -9.371 44.452 1.00 0.00 H ATOM 978 HZ3 LYS A 97 5.021 -10.835 44.980 1.00 0.00 H ATOM 979 H LYS A 97 11.340 -8.863 47.789 1.00 0.00 H ATOM 980 N VAL A 98 9.165 -7.053 50.481 1.00 39.07 N ATOM 981 CA VAL A 98 8.610 -7.627 51.718 1.00 42.25 C ATOM 982 C VAL A 98 7.127 -7.266 51.788 1.00 40.64 C ATOM 983 O VAL A 98 6.734 -6.213 51.189 1.00 40.26 O ATOM 984 CB VAL A 98 9.443 -7.150 52.905 1.00 43.15 C ATOM 985 CG1 VAL A 98 9.290 -5.660 53.077 1.00 42.11 C ATOM 986 CG2 VAL A 98 9.119 -7.910 54.191 1.00 46.34 C ATOM 987 H VAL A 98 9.005 -6.046 50.278 1.00 0.00 H ATOM 988 N CYS A 99 6.319 -8.230 52.218 1.00 45.60 N ATOM 989 CA CYS A 99 4.849 -8.115 52.371 1.00 49.28 C ATOM 990 C CYS A 99 4.485 -8.050 53.863 1.00 48.54 C ATOM 991 O CYS A 99 5.075 -8.750 54.604 1.00 51.45 O ATOM 992 CB CYS A 99 4.226 -9.292 51.651 1.00 53.02 C ATOM 993 SG CYS A 99 5.120 -9.634 50.113 1.00 58.54 S ATOM 994 H CYS A 99 6.754 -9.141 52.468 1.00 0.00 H ATOM 995 N PHE A 100 3.667 -7.110 54.242 1.00 44.24 N ATOM 996 CA PHE A 100 3.189 -6.927 55.615 1.00 43.64 C ATOM 997 C PHE A 100 1.687 -7.109 55.538 1.00 43.56 C ATOM 998 O PHE A 100 1.137 -6.805 54.520 1.00 46.39 O ATOM 999 CB PHE A 100 3.608 -5.539 56.135 1.00 40.40 C ATOM 1000 CG PHE A 100 5.092 -5.287 56.194 1.00 37.90 C ATOM 1001 CD1 PHE A 100 5.884 -5.904 57.155 1.00 43.04 C ATOM 1002 CD2 PHE A 100 5.699 -4.403 55.320 1.00 37.83 C ATOM 1003 CE1 PHE A 100 7.257 -5.670 57.209 1.00 41.47 C ATOM 1004 CE2 PHE A 100 7.076 -4.182 55.363 1.00 38.38 C ATOM 1005 CZ PHE A 100 7.851 -4.811 56.310 1.00 38.36 C ATOM 1006 H PHE A 100 3.329 -6.442 53.519 1.00 0.00 H ATOM 1007 N THR A 101 1.086 -7.669 56.557 1.00 44.06 N ATOM 1008 CA THR A 101 -0.368 -7.764 56.716 1.00 45.19 C ATOM 1009 C THR A 101 -0.751 -6.637 57.649 1.00 42.80 C ATOM 1010 O THR A 101 -0.366 -6.736 58.778 1.00 42.75 O ATOM 1011 CB THR A 101 -0.719 -9.156 57.240 1.00 47.65 C ATOM 1012 OG1 THR A 101 -0.289 -10.007 56.202 1.00 55.76 O ATOM 1013 CG2 THR A 101 -2.186 -9.368 57.499 1.00 53.11 C ATOM 1014 HG1 THR A 101 -0.475 -10.947 56.449 1.00 0.00 H ATOM 1015 H THR A 101 1.682 -8.075 57.306 1.00 0.00 H ATOM 1016 N TYR A 102 -1.275 -5.517 57.144 1.00 42.70 N ATOM 1017 CA TYR A 102 -1.497 -4.311 57.969 1.00 39.15 C ATOM 1018 C TYR A 102 -2.950 -4.300 58.455 1.00 40.19 C ATOM 1019 O TYR A 102 -3.915 -4.443 57.667 1.00 40.94 O ATOM 1020 CB TYR A 102 -1.071 -3.017 57.267 1.00 39.33 C ATOM 1021 CG TYR A 102 -1.019 -1.869 58.239 1.00 37.80 C ATOM 1022 CD1 TYR A 102 0.064 -1.687 59.081 1.00 36.33 C ATOM 1023 CD2 TYR A 102 -2.145 -1.087 58.471 1.00 38.99 C ATOM 1024 CE1 TYR A 102 0.058 -0.706 60.074 1.00 35.58 C ATOM 1025 CE2 TYR A 102 -2.178 -0.120 59.473 1.00 37.71 C ATOM 1026 CZ TYR A 102 -1.074 0.084 60.290 1.00 38.01 C ATOM 1027 OH TYR A 102 -1.118 1.069 61.300 1.00 36.58 O ATOM 1028 HH TYR A 102 -1.850 0.859 61.933 1.00 0.00 H ATOM 1029 H TYR A 102 -1.535 -5.493 56.137 1.00 0.00 H ATOM 1030 N ASP A 103 -3.103 -4.173 59.761 1.00 38.15 N ATOM 1031 CA ASP A 103 -4.422 -4.083 60.420 1.00 42.05 C ATOM 1032 C ASP A 103 -4.918 -2.627 60.315 1.00 40.47 C ATOM 1033 O ASP A 103 -4.636 -1.822 61.215 1.00 38.42 O ATOM 1034 CB ASP A 103 -4.325 -4.591 61.856 1.00 45.83 C ATOM 1035 CG ASP A 103 -5.665 -4.669 62.547 1.00 55.04 C ATOM 1036 OD1 ASP A 103 -6.686 -4.573 61.838 1.00 60.68 O ATOM 1037 OD2 ASP A 103 -5.681 -4.744 63.802 1.00 63.93 O ATOM 1038 H ASP A 103 -2.251 -4.134 60.356 1.00 0.00 H ATOM 1039 N LEU A 104 -5.650 -2.292 59.264 1.00 40.51 N ATOM 1040 CA LEU A 104 -6.281 -0.950 59.186 1.00 42.72 C ATOM 1041 C LEU A 104 -7.605 -0.962 59.929 1.00 43.08 C ATOM 1042 O LEU A 104 -8.616 -1.300 59.311 1.00 43.84 O ATOM 1043 CB LEU A 104 -6.537 -0.514 57.752 1.00 42.96 C ATOM 1044 CG LEU A 104 -6.811 0.976 57.683 1.00 44.80 C ATOM 1045 CD1 LEU A 104 -5.507 1.737 57.386 1.00 47.17 C ATOM 1046 CD2 LEU A 104 -7.860 1.261 56.682 1.00 49.46 C ATOM 1047 H LEU A 104 -5.784 -2.972 58.489 1.00 0.00 H ATOM 1048 N PHE A 105 -7.591 -0.567 61.186 1.00 43.16 N ATOM 1049 CA PHE A 105 -8.788 -0.564 62.053 1.00 46.02 C ATOM 1050 C PHE A 105 -9.157 0.894 62.325 1.00 43.95 C ATOM 1051 O PHE A 105 -8.253 1.783 62.371 1.00 40.30 O ATOM 1052 CB PHE A 105 -8.538 -1.378 63.321 1.00 47.04 C ATOM 1053 CG PHE A 105 -7.480 -0.788 64.213 1.00 45.91 C ATOM 1054 CD1 PHE A 105 -7.754 0.307 65.014 1.00 48.67 C ATOM 1055 CD2 PHE A 105 -6.192 -1.270 64.177 1.00 49.11 C ATOM 1056 CE1 PHE A 105 -6.759 0.905 65.767 1.00 48.05 C ATOM 1057 CE2 PHE A 105 -5.191 -0.682 64.940 1.00 52.01 C ATOM 1058 CZ PHE A 105 -5.486 0.393 65.749 1.00 51.14 C ATOM 1059 H PHE A 105 -6.690 -0.240 61.589 1.00 0.00 H ATOM 1060 N LEU A 106 -10.459 1.140 62.422 1.00 46.07 N ATOM 1061 CA LEU A 106 -11.058 2.482 62.632 1.00 46.83 C ATOM 1062 C LEU A 106 -11.488 2.602 64.093 1.00 48.08 C ATOM 1063 O LEU A 106 -11.591 1.572 64.743 1.00 50.69 O ATOM 1064 CB LEU A 106 -12.264 2.629 61.713 1.00 47.46 C ATOM 1065 CG LEU A 106 -12.046 2.257 60.261 1.00 49.28 C ATOM 1066 CD1 LEU A 106 -13.298 2.601 59.450 1.00 53.58 C ATOM 1067 CD2 LEU A 106 -10.825 2.961 59.698 1.00 48.88 C ATOM 1068 H LEU A 106 -11.108 0.331 62.345 1.00 0.00 H ATOM 1069 N ASN A 107 -11.773 3.810 64.552 1.00 48.13 N ATOM 1070 CA ASN A 107 -12.247 4.085 65.924 1.00 52.08 C ATOM 1071 C ASN A 107 -13.782 3.918 65.957 1.00 59.90 C ATOM 1072 O ASN A 107 -14.474 4.539 65.149 1.00 58.71 O ATOM 1073 CB ASN A 107 -11.733 5.444 66.416 1.00 51.81 C ATOM 1074 CG ASN A 107 -12.141 6.608 65.532 1.00 55.99 C ATOM 1075 OD1 ASN A 107 -11.929 6.585 64.306 1.00 51.27 O ATOM 1076 ND2 ASN A 107 -12.707 7.643 66.151 1.00 57.74 N ATOM 1077 HD22 ASN A 107 -12.862 7.613 67.179 1.00 0.00 H ATOM 1078 HD21 ASN A 107 -12.993 8.481 65.606 1.00 0.00 H ATOM 1079 H ASN A 107 -11.656 4.617 63.906 1.00 0.00 H ATOM 1080 N LEU A 108 -14.280 3.033 66.822 1.00 68.22 N ATOM 1081 CA LEU A 108 -15.727 2.840 67.083 1.00 76.35 C ATOM 1082 C LEU A 108 -16.289 4.134 67.647 1.00 77.39 C ATOM 1083 O LEU A 108 -15.676 4.667 68.572 1.00 74.08 O ATOM 1084 CB LEU A 108 -15.932 1.692 68.075 1.00 84.19 C ATOM 1085 CG LEU A 108 -17.397 1.332 68.342 1.00 98.84 C ATOM 1086 CD1 LEU A 108 -18.083 0.838 67.067 1.00101.11 C ATOM 1087 CD2 LEU A 108 -17.527 0.290 69.456 1.00102.69 C ATOM 1088 H LEU A 108 -13.608 2.439 67.349 1.00 0.00 H ATOM 1089 N GLU A 109 -17.410 4.604 67.098 1.00 80.82 N ATOM 1090 CA GLU A 109 -18.008 5.914 67.437 1.00 85.92 C ATOM 1091 C GLU A 109 -17.909 6.097 68.951 1.00 84.48 C ATOM 1092 O GLU A 109 -18.159 5.111 69.676 1.00 84.50 O ATOM 1093 CB GLU A 109 -19.468 6.012 66.963 1.00 95.70 C ATOM 1094 CG GLU A 109 -20.077 7.388 67.230 1.00 99.39 C ATOM 1095 CD GLU A 109 -21.567 7.564 66.996 1.00107.22 C ATOM 1096 OE1 GLU A 109 -22.173 6.721 66.309 1.00116.22 O ATOM 1097 OE2 GLU A 109 -22.113 8.553 67.511 1.00109.90 O ATOM 1098 H GLU A 109 -17.892 4.015 66.390 1.00 0.00 H ATOM 1099 N GLY A 110 -17.519 7.296 69.395 1.00 82.24 N ATOM 1100 CA GLY A 110 -17.307 7.635 70.816 1.00 80.87 C ATOM 1101 C GLY A 110 -15.840 7.515 71.221 1.00 78.94 C ATOM 1102 O GLY A 110 -15.466 8.081 72.265 1.00 79.39 O ATOM 1103 H GLY A 110 -17.353 8.042 68.690 1.00 0.00 H ATOM 1104 N ASN A 111 -15.024 6.806 70.441 1.00 74.76 N ATOM 1105 CA ASN A 111 -13.564 6.650 70.716 1.00 73.31 C ATOM 1106 C ASN A 111 -12.787 7.697 69.936 1.00 65.14 C ATOM 1107 O ASN A 111 -13.064 7.945 68.769 1.00 59.19 O ATOM 1108 CB ASN A 111 -13.023 5.254 70.367 1.00 75.25 C ATOM 1109 CG ASN A 111 -13.340 4.229 71.432 1.00 78.77 C ATOM 1110 OD1 ASN A 111 -13.978 3.217 71.156 1.00 78.53 O ATOM 1111 ND2 ASN A 111 -12.928 4.503 72.657 1.00 85.51 N ATOM 1112 HD22 ASN A 111 -12.390 5.374 72.842 1.00 0.00 H ATOM 1113 HD21 ASN A 111 -13.142 3.848 73.436 1.00 0.00 H ATOM 1114 H ASN A 111 -15.423 6.339 69.601 1.00 0.00 H ATOM 1115 N PRO A 112 -11.709 8.241 70.521 1.00 63.29 N ATOM 1116 CA PRO A 112 -10.932 9.280 69.852 1.00 63.25 C ATOM 1117 C PRO A 112 -10.238 8.728 68.605 1.00 58.70 C ATOM 1118 O PRO A 112 -10.276 7.513 68.335 1.00 55.82 O ATOM 1119 CB PRO A 112 -9.957 9.739 70.961 1.00 68.00 C ATOM 1120 CG PRO A 112 -9.801 8.524 71.865 1.00 66.36 C ATOM 1121 CD PRO A 112 -11.147 7.838 71.819 1.00 65.42 C ATOM 1122 N PRO A 113 -9.611 9.601 67.785 1.00 56.93 N ATOM 1123 CA PRO A 113 -8.962 9.165 66.540 1.00 55.53 C ATOM 1124 C PRO A 113 -7.883 8.091 66.772 1.00 49.48 C ATOM 1125 O PRO A 113 -7.374 7.950 67.839 1.00 49.89 O ATOM 1126 CB PRO A 113 -8.278 10.415 65.979 1.00 54.02 C ATOM 1127 CG PRO A 113 -8.975 11.559 66.682 1.00 58.55 C ATOM 1128 CD PRO A 113 -9.454 11.037 68.030 1.00 57.65 C ATOM 1129 N VAL A 114 -7.624 7.302 65.773 1.00 47.61 N ATOM 1130 CA VAL A 114 -6.526 6.303 65.795 1.00 46.81 C ATOM 1131 C VAL A 114 -5.272 6.961 65.251 1.00 44.28 C ATOM 1132 O VAL A 114 -5.344 7.622 64.186 1.00 42.70 O ATOM 1133 CB VAL A 114 -6.904 5.086 64.953 1.00 49.35 C ATOM 1134 CG1 VAL A 114 -5.668 4.312 64.500 1.00 51.98 C ATOM 1135 CG2 VAL A 114 -7.887 4.220 65.696 1.00 51.05 C ATOM 1136 H VAL A 114 -8.213 7.373 64.919 1.00 0.00 H ATOM 1137 N ASN A 115 -4.149 6.740 65.905 1.00 41.71 N ATOM 1138 CA ASN A 115 -2.843 7.193 65.386 1.00 38.71 C ATOM 1139 C ASN A 115 -1.834 6.122 65.740 1.00 36.32 C ATOM 1140 O ASN A 115 -1.403 6.125 66.904 1.00 37.69 O ATOM 1141 CB ASN A 115 -2.526 8.598 65.898 1.00 39.37 C ATOM 1142 CG ASN A 115 -1.311 9.220 65.264 1.00 38.59 C ATOM 1143 OD1 ASN A 115 -0.691 8.657 64.373 1.00 43.31 O ATOM 1144 ND2 ASN A 115 -0.905 10.333 65.785 1.00 42.77 N ATOM 1145 HD22 ASN A 115 -1.457 10.785 66.542 1.00 0.00 H ATOM 1146 HD21 ASN A 115 -0.027 10.775 65.447 1.00 0.00 H ATOM 1147 H ASN A 115 -4.184 6.232 66.812 1.00 0.00 H ATOM 1148 N HIS A 116 -1.675 5.112 64.869 1.00 34.42 N ATOM 1149 CA HIS A 116 -0.820 3.926 65.135 1.00 36.80 C ATOM 1150 C HIS A 116 0.433 3.962 64.298 1.00 33.72 C ATOM 1151 O HIS A 116 0.349 4.291 63.087 1.00 35.07 O ATOM 1152 CB HIS A 116 -1.522 2.576 64.919 1.00 41.97 C ATOM 1153 CG HIS A 116 -2.116 2.049 66.161 1.00 47.12 C ATOM 1154 ND1 HIS A 116 -3.258 2.671 66.756 1.00 57.96 N ATOM 1155 CD2 HIS A 116 -1.714 1.076 67.005 1.00 53.39 C ATOM 1156 CE1 HIS A 116 -3.561 2.046 67.884 1.00 57.46 C ATOM 1157 NE2 HIS A 116 -2.630 1.053 68.069 1.00 59.69 N ATOM 1158 H HIS A 116 -2.177 5.163 63.960 1.00 0.00 H ATOM 1159 N LEU A 117 1.466 3.384 64.868 1.00 33.43 N ATOM 1160 CA LEU A 117 2.771 3.153 64.227 1.00 36.16 C ATOM 1161 C LEU A 117 3.198 1.696 64.462 1.00 37.52 C ATOM 1162 O LEU A 117 3.137 1.175 65.636 1.00 32.40 O ATOM 1163 CB LEU A 117 3.776 4.144 64.786 1.00 36.68 C ATOM 1164 CG LEU A 117 4.950 4.433 63.866 1.00 42.13 C ATOM 1165 CD1 LEU A 117 4.469 5.010 62.522 1.00 42.95 C ATOM 1166 CD2 LEU A 117 5.921 5.375 64.540 1.00 44.77 C ATOM 1167 H LEU A 117 1.353 3.064 65.851 1.00 0.00 H ATOM 1168 N ARG A 118 3.709 1.098 63.414 1.00 32.09 N ATOM 1169 CA ARG A 118 4.288 -0.253 63.457 1.00 37.51 C ATOM 1170 C ARG A 118 5.696 -0.160 62.865 1.00 36.07 C ATOM 1171 O ARG A 118 5.820 0.122 61.655 1.00 38.39 O ATOM 1172 CB ARG A 118 3.278 -1.177 62.772 1.00 39.23 C ATOM 1173 CG ARG A 118 3.863 -2.413 62.132 1.00 42.02 C ATOM 1174 CD ARG A 118 2.783 -3.318 61.567 1.00 40.89 C ATOM 1175 NE ARG A 118 3.416 -4.494 61.031 1.00 41.98 N ATOM 1176 CZ ARG A 118 2.802 -5.452 60.393 1.00 40.38 C ATOM 1177 NH1 ARG A 118 1.492 -5.411 60.240 1.00 40.57 N ATOM 1178 NH2 ARG A 118 3.497 -6.480 59.990 1.00 40.72 N ATOM 1179 HE ARG A 118 4.443 -4.587 61.163 1.00 0.00 H ATOM 1180 HH12 ARG A 118 1.004 -6.175 59.731 1.00 0.00 H ATOM 1181 HH11 ARG A 118 0.948 -4.614 60.628 1.00 0.00 H ATOM 1182 HH22 ARG A 118 3.029 -7.256 59.479 1.00 0.00 H ATOM 1183 HH21 ARG A 118 4.519 -6.523 60.179 1.00 0.00 H ATOM 1184 H ARG A 118 3.705 1.605 62.506 1.00 0.00 H ATOM 1185 N CYS A 119 6.708 -0.346 63.704 1.00 36.05 N ATOM 1186 CA CYS A 119 8.146 -0.250 63.352 1.00 39.03 C ATOM 1187 C CYS A 119 8.643 -1.631 62.943 1.00 41.01 C ATOM 1188 O CYS A 119 8.350 -2.606 63.658 1.00 43.73 O ATOM 1189 CB CYS A 119 8.960 0.322 64.505 1.00 40.67 C ATOM 1190 SG CYS A 119 8.409 2.002 64.925 1.00 50.59 S ATOM 1191 H CYS A 119 6.473 -0.578 64.690 1.00 0.00 H ATOM 1192 N GLU A 120 9.237 -1.714 61.765 1.00 38.71 N ATOM 1193 CA GLU A 120 9.742 -2.970 61.165 1.00 40.83 C ATOM 1194 C GLU A 120 11.248 -2.806 60.937 1.00 44.36 C ATOM 1195 O GLU A 120 11.677 -1.766 60.357 1.00 46.20 O ATOM 1196 CB GLU A 120 8.972 -3.261 59.892 1.00 41.40 C ATOM 1197 CG GLU A 120 7.491 -3.511 60.147 1.00 46.56 C ATOM 1198 CD GLU A 120 7.146 -4.803 60.859 1.00 49.16 C ATOM 1199 OE1 GLU A 120 7.998 -5.694 60.927 1.00 46.26 O ATOM 1200 OE2 GLU A 120 6.021 -4.919 61.305 1.00 58.14 O ATOM 1201 H GLU A 120 9.358 -0.836 61.222 1.00 0.00 H ATOM 1202 N LYS A 121 12.042 -3.719 61.456 1.00 42.42 N ATOM 1203 CA LYS A 121 13.479 -3.724 61.147 1.00 43.42 C ATOM 1204 C LYS A 121 13.720 -4.759 60.059 1.00 38.23 C ATOM 1205 O LYS A 121 13.344 -5.859 60.226 1.00 43.86 O ATOM 1206 CB LYS A 121 14.271 -3.925 62.438 1.00 48.51 C ATOM 1207 CG LYS A 121 15.728 -3.536 62.345 1.00 54.59 C ATOM 1208 CD LYS A 121 16.546 -4.162 63.434 1.00 60.76 C ATOM 1209 CE LYS A 121 15.928 -3.958 64.796 1.00 63.07 C ATOM 1210 NZ LYS A 121 16.922 -4.174 65.880 1.00 68.48 N ATOM 1211 HZ1 LYS A 121 17.288 -5.146 65.825 1.00 0.00 H ATOM 1212 HZ2 LYS A 121 17.707 -3.500 65.769 1.00 0.00 H ATOM 1213 HZ3 LYS A 121 16.465 -4.026 66.802 1.00 0.00 H ATOM 1214 H LYS A 121 11.649 -4.443 62.090 1.00 0.00 H ATOM 1215 N LEU A 122 14.293 -4.380 58.950 1.00 51.13 N ATOM 1216 CA LEU A 122 14.659 -5.324 57.899 1.00 47.26 C ATOM 1217 C LEU A 122 16.139 -5.631 58.067 1.00 48.70 C ATOM 1218 O LEU A 122 16.916 -4.667 58.190 1.00 48.73 O ATOM 1219 CB LEU A 122 14.382 -4.682 56.544 1.00 46.18 C ATOM 1220 CG LEU A 122 12.955 -4.212 56.296 1.00 47.35 C ATOM 1221 CD1 LEU A 122 12.801 -3.739 54.842 1.00 46.65 C ATOM 1222 CD2 LEU A 122 11.956 -5.321 56.621 1.00 51.70 C ATOM 1223 H LEU A 122 14.496 -3.370 58.810 1.00 0.00 H ATOM 1224 N THR A 123 16.511 -6.912 58.097 1.00 47.37 N ATOM 1225 CA THR A 123 17.923 -7.370 58.096 1.00 46.87 C ATOM 1226 C THR A 123 18.236 -7.970 56.734 1.00 46.51 C ATOM 1227 O THR A 123 17.696 -9.002 56.436 1.00 49.88 O ATOM 1228 CB THR A 123 18.175 -8.349 59.236 1.00 49.77 C ATOM 1229 OG1 THR A 123 17.772 -7.648 60.408 1.00 53.52 O ATOM 1230 CG2 THR A 123 19.617 -8.803 59.333 1.00 50.09 C ATOM 1231 HG1 THR A 123 17.908 -8.226 61.200 1.00 0.00 H ATOM 1232 H THR A 123 15.764 -7.635 58.123 1.00 0.00 H ATOM 1233 N PHE A 124 19.058 -7.295 55.944 1.00 45.56 N ATOM 1234 CA PHE A 124 19.628 -7.791 54.673 1.00 45.33 C ATOM 1235 C PHE A 124 20.985 -8.466 54.934 1.00 49.18 C ATOM 1236 O PHE A 124 21.940 -7.807 55.415 1.00 49.31 O ATOM 1237 CB PHE A 124 19.714 -6.634 53.689 1.00 42.56 C ATOM 1238 CG PHE A 124 18.371 -6.148 53.239 1.00 40.46 C ATOM 1239 CD1 PHE A 124 17.760 -6.707 52.126 1.00 40.48 C ATOM 1240 CD2 PHE A 124 17.768 -5.064 53.840 1.00 38.97 C ATOM 1241 CE1 PHE A 124 16.501 -6.295 51.729 1.00 39.28 C ATOM 1242 CE2 PHE A 124 16.505 -4.672 53.456 1.00 38.01 C ATOM 1243 CZ PHE A 124 15.891 -5.263 52.379 1.00 40.23 C ATOM 1244 H PHE A 124 19.325 -6.335 56.243 1.00 0.00 H ATOM 1245 N ASN A 125 21.063 -9.771 54.636 1.00 49.07 N ATOM 1246 CA ASN A 125 22.301 -10.564 54.759 1.00 48.12 C ATOM 1247 C ASN A 125 23.024 -10.486 53.433 1.00 47.12 C ATOM 1248 O ASN A 125 22.398 -10.708 52.419 1.00 45.82 O ATOM 1249 CB ASN A 125 22.016 -11.986 55.201 1.00 50.22 C ATOM 1250 CG ASN A 125 21.469 -12.011 56.609 1.00 56.08 C ATOM 1251 OD1 ASN A 125 22.133 -11.575 57.538 1.00 54.40 O ATOM 1252 ND2 ASN A 125 20.242 -12.481 56.766 1.00 60.89 N ATOM 1253 HD22 ASN A 125 19.715 -12.842 55.946 1.00 0.00 H ATOM 1254 HD21 ASN A 125 19.805 -12.489 57.710 1.00 0.00 H ATOM 1255 H ASN A 125 20.204 -10.251 54.300 1.00 0.00 H ATOM 1256 N ASN A 126 24.291 -10.098 53.476 1.00 47.15 N ATOM 1257 CA ASN A 126 25.188 -10.085 52.324 1.00 50.57 C ATOM 1258 C ASN A 126 24.474 -9.518 51.127 1.00 47.25 C ATOM 1259 O ASN A 126 24.373 -10.181 50.111 1.00 53.19 O ATOM 1260 CB ASN A 126 25.687 -11.494 52.014 1.00 54.26 C ATOM 1261 CG ASN A 126 26.419 -12.082 53.185 1.00 56.94 C ATOM 1262 OD1 ASN A 126 27.361 -11.472 53.690 1.00 62.19 O ATOM 1263 ND2 ASN A 126 25.975 -13.241 53.635 1.00 56.98 N ATOM 1264 HD22 ASN A 126 25.174 -13.709 53.165 1.00 0.00 H ATOM 1265 HD21 ASN A 126 26.426 -13.686 54.459 1.00 0.00 H ATOM 1266 H ASN A 126 24.671 -9.782 54.391 1.00 0.00 H ATOM 1267 N PRO A 127 24.062 -8.252 51.149 1.00 44.91 N ATOM 1268 CA PRO A 127 23.527 -7.620 49.933 1.00 45.61 C ATOM 1269 C PRO A 127 24.583 -7.443 48.856 1.00 47.33 C ATOM 1270 O PRO A 127 25.744 -7.452 49.183 1.00 48.00 O ATOM 1271 CB PRO A 127 23.012 -6.236 50.369 1.00 46.33 C ATOM 1272 CG PRO A 127 23.498 -6.064 51.822 1.00 47.17 C ATOM 1273 CD PRO A 127 23.924 -7.433 52.350 1.00 45.35 C ATOM 1274 N THR A 128 24.191 -7.395 47.577 1.00 51.41 N ATOM 1275 CA THR A 128 25.141 -7.019 46.499 1.00 52.67 C ATOM 1276 C THR A 128 25.804 -5.696 46.919 1.00 56.02 C ATOM 1277 O THR A 128 25.180 -4.948 47.753 1.00 54.63 O ATOM 1278 CB THR A 128 24.447 -6.801 45.158 1.00 55.78 C ATOM 1279 OG1 THR A 128 23.544 -5.721 45.389 1.00 52.73 O ATOM 1280 CG2 THR A 128 23.753 -8.037 44.629 1.00 55.58 C ATOM 1281 HG1 THR A 128 23.052 -5.520 44.554 1.00 0.00 H ATOM 1282 H THR A 128 23.206 -7.625 47.334 1.00 0.00 H ATOM 1283 N THR A 129 27.013 -5.406 46.423 1.00 60.20 N ATOM 1284 CA THR A 129 27.711 -4.112 46.667 1.00 62.57 C ATOM 1285 C THR A 129 26.782 -2.951 46.287 1.00 59.36 C ATOM 1286 O THR A 129 26.683 -1.988 47.063 1.00 57.59 O ATOM 1287 CB THR A 129 29.005 -4.031 45.878 1.00 68.08 C ATOM 1288 OG1 THR A 129 28.625 -4.370 44.542 1.00 74.11 O ATOM 1289 CG2 THR A 129 30.074 -4.957 46.409 1.00 70.35 C ATOM 1290 HG1 THR A 129 27.951 -3.722 44.217 1.00 0.00 H ATOM 1291 H THR A 129 27.490 -6.121 45.837 1.00 0.00 H ATOM 1292 N GLU A 130 26.102 -3.082 45.163 1.00 58.81 N ATOM 1293 CA GLU A 130 25.210 -2.053 44.630 1.00 61.75 C ATOM 1294 C GLU A 130 24.114 -1.793 45.656 1.00 59.33 C ATOM 1295 O GLU A 130 23.954 -0.608 46.078 1.00 60.04 O ATOM 1296 CB GLU A 130 24.622 -2.484 43.293 1.00 67.08 C ATOM 1297 CG GLU A 130 23.299 -1.819 43.020 1.00 73.24 C ATOM 1298 CD GLU A 130 22.795 -1.859 41.586 1.00 80.81 C ATOM 1299 OE1 GLU A 130 23.441 -2.539 40.746 1.00 91.55 O ATOM 1300 OE2 GLU A 130 21.733 -1.204 41.310 1.00 84.51 O ATOM 1301 H GLU A 130 26.207 -3.967 44.626 1.00 0.00 H ATOM 1302 N PHE A 131 23.367 -2.834 46.040 1.00 55.20 N ATOM 1303 CA PHE A 131 22.184 -2.692 46.923 1.00 51.63 C ATOM 1304 C PHE A 131 22.653 -2.316 48.328 1.00 49.15 C ATOM 1305 O PHE A 131 21.945 -1.577 49.023 1.00 51.76 O ATOM 1306 CB PHE A 131 21.318 -3.952 46.908 1.00 50.21 C ATOM 1307 CG PHE A 131 19.994 -3.808 47.609 1.00 44.96 C ATOM 1308 CD1 PHE A 131 19.055 -2.920 47.154 1.00 46.39 C ATOM 1309 CD2 PHE A 131 19.754 -4.469 48.786 1.00 41.99 C ATOM 1310 CE1 PHE A 131 17.855 -2.756 47.817 1.00 46.64 C ATOM 1311 CE2 PHE A 131 18.548 -4.344 49.425 1.00 40.99 C ATOM 1312 CZ PHE A 131 17.622 -3.440 48.978 1.00 45.01 C ATOM 1313 H PHE A 131 23.627 -3.784 45.705 1.00 0.00 H ATOM 1314 N ARG A 132 23.820 -2.780 48.742 1.00 50.79 N ATOM 1315 CA ARG A 132 24.372 -2.383 50.061 1.00 51.89 C ATOM 1316 C ARG A 132 24.491 -0.836 50.097 1.00 54.66 C ATOM 1317 O ARG A 132 24.159 -0.220 51.126 1.00 50.55 O ATOM 1318 CB ARG A 132 25.721 -3.045 50.270 1.00 54.45 C ATOM 1319 CG ARG A 132 26.285 -2.833 51.660 1.00 57.54 C ATOM 1320 CD ARG A 132 27.787 -2.999 51.642 1.00 62.73 C ATOM 1321 NE ARG A 132 28.187 -4.360 51.388 1.00 65.04 N ATOM 1322 CZ ARG A 132 29.114 -4.746 50.504 1.00 67.06 C ATOM 1323 NH1 ARG A 132 29.776 -3.876 49.749 1.00 73.37 N ATOM 1324 NH2 ARG A 132 29.391 -6.021 50.398 1.00 67.35 N ATOM 1325 HE ARG A 132 27.715 -5.105 51.939 1.00 0.00 H ATOM 1326 HH12 ARG A 132 30.490 -4.213 49.072 1.00 0.00 H ATOM 1327 HH11 ARG A 132 29.580 -2.858 49.835 1.00 0.00 H ATOM 1328 HH22 ARG A 132 30.108 -6.342 49.717 1.00 0.00 H ATOM 1329 HH21 ARG A 132 28.894 -6.713 50.995 1.00 0.00 H ATOM 1330 H ARG A 132 24.358 -3.431 48.135 1.00 0.00 H ATOM 1331 N TYR A 133 24.880 -0.240 48.970 1.00 57.46 N ATOM 1332 CA TYR A 133 25.168 1.198 48.835 1.00 60.99 C ATOM 1333 C TYR A 133 23.843 1.936 49.026 1.00 56.38 C ATOM 1334 O TYR A 133 23.805 2.816 49.883 1.00 56.28 O ATOM 1335 CB TYR A 133 25.894 1.479 47.513 1.00 66.41 C ATOM 1336 CG TYR A 133 26.072 2.941 47.206 1.00 76.45 C ATOM 1337 CD1 TYR A 133 27.154 3.651 47.713 1.00 82.95 C ATOM 1338 CD2 TYR A 133 25.134 3.641 46.448 1.00 79.23 C ATOM 1339 CE1 TYR A 133 27.314 5.010 47.454 1.00 88.21 C ATOM 1340 CE2 TYR A 133 25.291 4.993 46.169 1.00 84.54 C ATOM 1341 CZ TYR A 133 26.380 5.684 46.683 1.00 88.23 C ATOM 1342 OH TYR A 133 26.545 7.020 46.422 1.00 94.14 O ATOM 1343 HH TYR A 133 27.369 7.342 46.866 1.00 0.00 H ATOM 1344 H TYR A 133 24.988 -0.834 48.123 1.00 0.00 H ATOM 1345 N LYS A 134 22.782 1.475 48.360 1.00 52.95 N ATOM 1346 CA LYS A 134 21.393 2.020 48.491 1.00 51.19 C ATOM 1347 C LYS A 134 20.884 1.933 49.931 1.00 46.76 C ATOM 1348 O LYS A 134 20.367 2.929 50.427 1.00 45.84 O ATOM 1349 CB LYS A 134 20.437 1.276 47.574 1.00 50.05 C ATOM 1350 CG LYS A 134 20.741 1.421 46.086 1.00 53.05 C ATOM 1351 CD LYS A 134 19.586 0.995 45.254 1.00 52.64 C ATOM 1352 CE LYS A 134 19.968 0.868 43.819 1.00 58.23 C ATOM 1353 NZ LYS A 134 20.233 2.189 43.249 1.00 64.05 N ATOM 1354 HZ1 LYS A 134 19.377 2.776 43.324 1.00 0.00 H ATOM 1355 HZ2 LYS A 134 21.011 2.641 43.771 1.00 0.00 H ATOM 1356 HZ3 LYS A 134 20.498 2.087 42.249 1.00 0.00 H ATOM 1357 H LYS A 134 22.930 0.682 47.704 1.00 0.00 H ATOM 1358 N LEU A 135 21.080 0.808 50.599 1.00 45.25 N ATOM 1359 CA LEU A 135 20.653 0.654 52.014 1.00 45.11 C ATOM 1360 C LEU A 135 21.409 1.662 52.892 1.00 46.80 C ATOM 1361 O LEU A 135 20.813 2.201 53.825 1.00 47.06 O ATOM 1362 CB LEU A 135 20.902 -0.791 52.467 1.00 44.11 C ATOM 1363 CG LEU A 135 20.005 -1.851 51.794 1.00 44.83 C ATOM 1364 CD1 LEU A 135 20.556 -3.284 51.948 1.00 43.02 C ATOM 1365 CD2 LEU A 135 18.590 -1.773 52.361 1.00 44.13 C ATOM 1366 H LEU A 135 21.545 0.010 50.121 1.00 0.00 H ATOM 1367 N LEU A 136 22.716 1.836 52.674 1.00 50.32 N ATOM 1368 CA LEU A 136 23.532 2.724 53.540 1.00 51.71 C ATOM 1369 C LEU A 136 23.187 4.197 53.237 1.00 52.73 C ATOM 1370 O LEU A 136 22.961 4.967 54.221 1.00 53.34 O ATOM 1371 CB LEU A 136 25.009 2.380 53.367 1.00 53.58 C ATOM 1372 CG LEU A 136 25.376 0.978 53.836 1.00 51.87 C ATOM 1373 CD1 LEU A 136 26.813 0.680 53.542 1.00 55.16 C ATOM 1374 CD2 LEU A 136 25.073 0.797 55.315 1.00 53.45 C ATOM 1375 H LEU A 136 23.171 1.339 51.882 1.00 0.00 H ATOM 1376 N ARG A 137 22.943 4.522 51.972 1.00 51.81 N ATOM 1377 CA ARG A 137 22.497 5.864 51.566 1.00 55.76 C ATOM 1378 C ARG A 137 21.227 6.238 52.310 1.00 54.28 C ATOM 1379 O ARG A 137 20.979 7.419 52.437 1.00 54.36 O ATOM 1380 CB ARG A 137 22.187 5.948 50.080 1.00 60.94 C ATOM 1381 CG ARG A 137 23.405 5.998 49.173 1.00 68.19 C ATOM 1382 CD ARG A 137 23.056 6.689 47.879 1.00 74.37 C ATOM 1383 NE ARG A 137 23.175 8.142 48.039 1.00 84.12 N ATOM 1384 CZ ARG A 137 22.772 9.042 47.147 1.00 86.91 C ATOM 1385 NH1 ARG A 137 22.162 8.661 46.037 1.00 88.33 N ATOM 1386 NH2 ARG A 137 22.962 10.322 47.380 1.00 91.57 N ATOM 1387 HE ARG A 137 23.607 8.495 48.917 1.00 0.00 H ATOM 1388 HH12 ARG A 137 21.850 9.372 45.345 1.00 0.00 H ATOM 1389 HH11 ARG A 137 21.994 7.651 45.856 1.00 0.00 H ATOM 1390 HH22 ARG A 137 22.648 11.029 46.685 1.00 0.00 H ATOM 1391 HH21 ARG A 137 23.426 10.627 48.259 1.00 0.00 H ATOM 1392 H ARG A 137 23.073 3.797 51.238 1.00 0.00 H ATOM 1393 N ALA A 138 20.369 5.268 52.626 1.00 50.10 N ATOM 1394 CA ALA A 138 19.042 5.517 53.203 1.00 46.56 C ATOM 1395 C ALA A 138 19.138 5.618 54.708 1.00 46.02 C ATOM 1396 O ALA A 138 18.102 5.779 55.321 1.00 45.66 O ATOM 1397 CB ALA A 138 18.099 4.421 52.824 1.00 46.24 C ATOM 1398 H ALA A 138 20.655 4.283 52.455 1.00 0.00 H ATOM 1399 N GLY A 139 20.294 5.384 55.296 1.00 46.40 N ATOM 1400 CA GLY A 139 20.420 5.500 56.752 1.00 48.58 C ATOM 1401 C GLY A 139 20.380 4.139 57.409 1.00 48.85 C ATOM 1402 O GLY A 139 20.188 4.057 58.647 1.00 54.09 O ATOM 1403 H GLY A 139 21.121 5.116 54.725 1.00 0.00 H ATOM 1404 N GLY A 140 20.716 3.107 56.594 1.00 47.41 N ATOM 1405 CA GLY A 140 20.915 1.747 57.100 1.00 46.80 C ATOM 1406 C GLY A 140 22.204 1.674 57.839 1.00 50.00 C ATOM 1407 O GLY A 140 23.089 2.511 57.544 1.00 56.40 O ATOM 1408 H GLY A 140 20.836 3.288 55.577 1.00 0.00 H ATOM 1409 N VAL A 141 22.372 0.596 58.615 1.00 51.68 N ATOM 1410 CA VAL A 141 23.526 0.359 59.527 1.00 52.50 C ATOM 1411 C VAL A 141 24.138 -1.020 59.262 1.00 54.18 C ATOM 1412 O VAL A 141 23.370 -2.012 59.124 1.00 51.51 O ATOM 1413 CB VAL A 141 23.043 0.485 60.975 1.00 54.35 C ATOM 1414 CG1 VAL A 141 24.039 -0.115 61.926 1.00 61.22 C ATOM 1415 CG2 VAL A 141 22.751 1.935 61.346 1.00 56.15 C ATOM 1416 H VAL A 141 21.635 -0.137 58.578 1.00 0.00 H ATOM 1417 N MET A 142 25.474 -1.110 59.254 1.00 57.21 N ATOM 1418 CA MET A 142 26.190 -2.397 59.195 1.00 58.45 C ATOM 1419 C MET A 142 26.237 -3.004 60.592 1.00 61.89 C ATOM 1420 O MET A 142 26.435 -2.256 61.526 1.00 68.94 O ATOM 1421 CB MET A 142 27.609 -2.210 58.658 1.00 63.51 C ATOM 1422 CG MET A 142 27.677 -2.216 57.144 1.00 61.77 C ATOM 1423 SD MET A 142 29.278 -2.628 56.511 1.00 70.27 S ATOM 1424 CE MET A 142 28.851 -2.896 54.797 1.00 73.25 C ATOM 1425 H MET A 142 26.031 -0.233 59.291 1.00 0.00 H ATOM 1426 N VAL A 143 26.064 -4.317 60.712 1.00 64.57 N ATOM 1427 CA VAL A 143 26.133 -5.072 62.005 1.00 73.66 C ATOM 1428 C VAL A 143 27.040 -6.289 61.799 1.00 80.83 C ATOM 1429 O VAL A 143 27.516 -6.496 60.633 1.00 82.14 O ATOM 1430 CB VAL A 143 24.726 -5.475 62.512 1.00 75.89 C ATOM 1431 CG1 VAL A 143 23.920 -4.265 62.975 1.00 79.32 C ATOM 1432 CG2 VAL A 143 23.920 -6.252 61.477 1.00 73.44 C ATOM 1433 H VAL A 143 25.867 -4.859 59.847 1.00 0.00 H ATOM 1434 N MET A 144 27.263 -7.079 62.859 1.00 90.83 N ATOM 1435 CA MET A 144 27.910 -8.426 62.781 1.00 93.80 C ATOM 1436 C MET A 144 29.302 -8.283 62.136 1.00 93.49 C ATOM 1437 O MET A 144 30.083 -9.228 62.039 1.00 89.43 O ATOM 1438 CB MET A 144 27.057 -9.404 61.950 1.00 93.14 C ATOM 1439 H MET A 144 26.968 -6.734 63.795 1.00 0.00 H TER 1440 MET A 144 HETATM 1441 O HOH 1 11.641 3.505 63.370 1.00 51.54 O HETATM 1442 O HOH 2 18.623 3.199 60.162 1.00 54.41 O HETATM 1443 O HOH 3 11.913 -16.413 45.465 1.00 44.92 O HETATM 1444 O HOH 4 19.997 -9.593 48.451 1.00 57.98 O HETATM 1445 O HOH 5 20.310 -2.559 43.593 1.00 49.62 O HETATM 1446 O HOH 6 12.352 8.965 63.241 1.00 59.78 O HETATM 1447 O HOH 7 11.512 -10.014 52.159 1.00 51.35 O HETATM 1448 O HOH 8 3.658 7.294 43.001 1.00 54.20 O HETATM 1449 O HOH 9 10.522 4.884 45.574 1.00 38.58 O HETATM 1450 O HOH 10 6.334 7.971 52.995 1.00 34.68 O HETATM 1451 O HOH 11 21.622 -5.269 43.787 1.00 51.22 O HETATM 1452 O HOH 12 -2.492 -0.165 40.528 1.00 52.25 O HETATM 1453 O HOH 13 31.467 -6.390 48.920 1.00 56.87 O HETATM 1454 O HOH 14 20.529 -9.300 51.288 1.00 46.34 O HETATM 1455 O HOH 15 -15.849 5.260 45.356 1.00 59.51 O HETATM 1456 O HOH 16 8.971 12.265 46.248 1.00 48.72 O HETATM 1457 O HOH 17 0.512 6.906 62.761 1.00 42.45 O HETATM 1458 O HOH 18 -3.961 6.123 68.470 1.00 40.57 O HETATM 1459 O HOH 19 5.996 13.833 46.627 1.00 47.07 O HETATM 1460 O HOH 20 3.568 9.531 46.355 1.00 48.13 O HETATM 1461 O HOH 21 -2.408 -1.420 62.655 1.00 60.18 O HETATM 1462 O HOH 22 9.627 8.888 61.780 1.00 60.04 O HETATM 1463 O HOH 23 9.690 -6.158 43.156 1.00 56.56 O HETATM 1464 O HOH 24 -19.940 -1.088 48.969 1.00 66.71 O HETATM 1465 O HOH 25 21.447 -7.506 47.470 1.00 56.87 O HETATM 1466 O HOH 26 1.055 10.272 61.337 1.00 61.01 O HETATM 1467 O HOH 27 -4.784 6.459 46.721 1.00 48.53 O HETATM 1468 O HOH 28 15.615 -12.888 41.989 1.00 61.76 O HETATM 1469 O HOH 29 -12.454 1.717 54.757 1.00 37.35 O HETATM 1470 O HOH 30 -19.468 14.718 55.135 1.00 56.43 O HETATM 1471 O HOH 31 -12.076 -1.326 62.400 1.00 48.03 O HETATM 1472 O HOH 32 14.494 -8.919 57.998 1.00 40.88 O HETATM 1473 O HOH 33 26.226 -4.791 42.869 1.00 60.12 O HETATM 1474 O HOH 34 -19.383 9.961 60.418 1.00 57.23 O HETATM 1475 O HOH 35 1.811 -7.150 41.243 1.00 59.14 O HETATM 1476 O HOH 36 12.307 -11.909 46.402 1.00 59.70 O HETATM 1477 O HOH 37 13.103 -14.170 42.926 1.00 57.16 O HETATM 1478 O HOH 38 -0.638 -3.907 61.515 1.00 37.50 O HETATM 1479 O HOH 39 28.853 -15.732 51.667 1.00 47.15 O HETATM 1480 O HOH 40 -20.046 13.785 50.630 1.00 58.42 O HETATM 1481 O HOH 41 26.965 1.397 59.332 1.00 52.38 O HETATM 1482 O HOH 42 7.449 -10.882 52.778 1.00 46.82 O HETATM 1483 O HOH 43 28.762 -9.650 51.834 1.00 62.99 O HETATM 1484 O HOH 44 -12.311 2.173 68.931 1.00 58.97 O HETATM 1485 O HOH 45 12.902 11.825 55.623 1.00 58.53 O HETATM 1486 O HOH 46 -10.927 -7.619 49.880 1.00 61.29 O HETATM 1487 O HOH 47 5.987 -8.202 60.406 1.00 54.86 O HETATM 1488 O HOH 48 28.101 -7.945 45.108 1.00 60.46 O HETATM 1489 O HOH 49 -2.221 3.500 41.913 1.00 57.21 O HETATM 1490 O HOH 50 -6.462 -1.990 41.172 1.00 54.81 O HETATM 1491 O HOH 51 10.555 -6.335 62.699 1.00 53.31 O HETATM 1492 C7 GQ A 5 -14.709 3.753 49.689 1.00 0.06 C HETATM 1493 N1 GQ A 5 -14.349 5.089 49.860 1.00 -0.25 N HETATM 1494 C6 GQ A 5 -14.487 5.635 48.666 1.00 0.16 C HETATM 1495 N5 GQ A 5 -14.925 4.759 47.734 1.00 -0.32 N HETATM 1496 C21 GQ A 5 -15.088 3.539 48.367 1.00 0.01 C HETATM 1497 C20 GQ A 5 -15.539 2.297 47.923 1.00 -0.07 C HETATM 1498 C19 GQ A 5 -15.583 1.248 48.834 1.00 -0.05 C HETATM 1499 C9 GQ A 5 -15.185 1.441 50.165 1.00 0.05 C HETATM 1500 N2 GQ A 5 -15.286 0.355 51.066 1.00 -0.24 N HETATM 1501 C10 GQ A 5 -15.124 0.372 52.414 1.00 0.22 C HETATM 1502 O GQ A 5 -15.056 1.405 53.077 1.00 -0.38 O HETATM 1503 C11 GQ A 5 -15.143 -0.961 53.085 1.00 0.05 C HETATM 1504 C18 GQ A 5 -14.289 -1.183 54.170 1.00 -0.05 C HETATM 1505 C17 GQ A 5 -14.276 -2.401 54.836 1.00 -0.03 C HETATM 1506 C16 GQ A 5 -15.149 -3.388 54.415 1.00 0.09 C HETATM 1507 N4 GQ A 5 -15.339 -4.662 54.837 1.00 -0.20 N HETATM 1508 N3 GQ A 5 -16.351 -5.273 54.154 1.00 -0.20 N HETATM 1509 C14 GQ A 5 -16.779 -4.394 53.273 1.00 0.02 C HETATM 1510 C13 GQ A 5 -16.051 -3.175 53.363 1.00 0.02 C HETATM 1511 C12 GQ A 5 -16.025 -1.965 52.674 1.00 -0.04 C HETATM 1512 H13 GQ A 5 -16.682 -1.803 51.827 1.00 0.07 H HETATM 1513 H12 GQ A 5 -17.587 -4.576 52.566 1.00 0.07 H HETATM 1514 C15 GQ A 5 -14.557 -5.411 55.804 1.00 0.06 C HETATM 1515 H9 GQ A 5 -13.795 -4.753 56.247 1.00 0.06 H HETATM 1516 H10 GQ A 5 -14.064 -6.256 55.301 1.00 0.06 H HETATM 1517 H11 GQ A 5 -15.219 -5.791 56.596 1.00 0.06 H HETATM 1518 H8 GQ A 5 -13.599 -2.574 55.665 1.00 0.06 H HETATM 1519 H7 GQ A 5 -13.626 -0.390 54.497 1.00 0.06 H HETATM 1520 H4 GQ A 5 -15.503 -0.533 50.661 1.00 0.22 H HETATM 1521 C8 GQ A 5 -14.751 2.698 50.597 1.00 -0.02 C HETATM 1522 H14 GQ A 5 -14.450 2.850 51.627 1.00 0.04 H HETATM 1523 H15 GQ A 5 -15.928 0.272 48.513 1.00 0.04 H HETATM 1524 H16 GQ A 5 -15.848 2.153 46.894 1.00 0.05 H HETATM 1525 C5 GQ A 5 -14.144 7.051 48.331 1.00 0.05 C HETATM 1526 N GQ A 5 -12.780 7.185 47.797 1.00 0.26 N HETATM 1527 C4 GQ A 5 -12.560 6.407 46.559 1.00 -0.03 C HETATM 1528 C3 GQ A 5 -11.623 7.269 45.690 1.00 -0.01 C HETATM 1529 C2 GQ A 5 -11.186 8.386 46.575 1.00 -0.01 C HETATM 1530 C1 GQ A 5 -12.426 8.585 47.436 1.00 -0.02 C HETATM 1531 C GQ A 5 -12.190 9.470 48.641 1.00 -0.02 C HETATM 1532 H21 GQ A 5 -11.934 10.486 48.305 1.00 0.03 H HETATM 1533 H22 GQ A 5 -11.362 9.062 49.239 1.00 0.03 H HETATM 1534 H23 GQ A 5 -13.103 9.506 49.254 1.00 0.03 H HETATM 1535 H20 GQ A 5 -13.231 9.037 46.838 1.00 0.08 H HETATM 1536 H2 GQ A 5 -10.315 8.101 47.183 1.00 0.03 H HETATM 1537 H3 GQ A 5 -10.949 9.290 45.995 1.00 0.03 H HETATM 1538 H24 GQ A 5 -10.756 6.680 45.356 1.00 0.03 H HETATM 1539 H25 GQ A 5 -12.161 7.659 44.813 1.00 0.03 H HETATM 1540 H5 GQ A 5 -13.514 6.234 46.040 1.00 0.08 H HETATM 1541 H6 GQ A 5 -12.088 5.441 46.791 1.00 0.08 H HETATM 1542 H19 GQ A 5 -12.145 6.858 48.508 1.00 0.21 H HETATM 1543 H17 GQ A 5 -14.228 7.660 49.243 1.00 0.11 H HETATM 1544 H18 GQ A 5 -14.856 7.418 47.578 1.00 0.11 H HETATM 1545 H1 GQ A 5 -14.042 5.550 50.729 1.00 0.23 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 1492 1493 1496 1521 CONECT 1493 1492 1494 1545 CONECT 1494 1493 1495 1525 CONECT 1495 1494 1496 CONECT 1496 1492 1495 1497 CONECT 1497 1496 1498 1524 CONECT 1498 1497 1499 1523 CONECT 1499 1498 1500 1521 CONECT 1500 1499 1501 1520 CONECT 1501 1500 1502 1503 CONECT 1502 1501 CONECT 1503 1501 1504 1511 CONECT 1504 1503 1505 1519 CONECT 1505 1504 1506 1518 CONECT 1506 1505 1507 1510 CONECT 1507 1506 1508 1514 CONECT 1508 1507 1509 CONECT 1509 1508 1510 1513 CONECT 1510 1506 1509 1511 CONECT 1511 1503 1510 1512 CONECT 1512 1511 CONECT 1513 1509 CONECT 1514 1507 1515 1516 1517 CONECT 1515 1514 CONECT 1516 1514 CONECT 1517 1514 CONECT 1518 1505 CONECT 1519 1504 CONECT 1520 1500 CONECT 1521 1492 1499 1522 CONECT 1522 1521 CONECT 1523 1498 CONECT 1524 1497 CONECT 1525 1494 1526 1543 1544 CONECT 1526 1525 1527 1530 1542 CONECT 1527 1526 1528 1540 1541 CONECT 1528 1527 1529 1538 1539 CONECT 1529 1528 1530 1536 1537 CONECT 1530 1526 1529 1531 1535 CONECT 1531 1530 1532 1533 1534 CONECT 1532 1531 CONECT 1533 1531 CONECT 1534 1531 CONECT 1535 1530 CONECT 1536 1529 CONECT 1537 1529 CONECT 1538 1528 CONECT 1539 1528 CONECT 1540 1527 CONECT 1541 1527 CONECT 1542 1526 CONECT 1543 1525 CONECT 1544 1525 CONECT 1545 1493 MASTER 0 0 0 0 0 0 0 0 1544 1 58 11 END
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Structure:
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Related entries of code: 6ht1
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
6hpw
RCSB PDB
PDBbind
155aa, >6HPW_1|Chain... *
6t1i
RCSB PDB
PDBbind
154aa, >6T1I_1|Chain... at 100%
6t1j
RCSB PDB
PDBbind
154aa, >6T1J_1|Chain... at 100%
6t1l
RCSB PDB
PDBbind
154aa, >6T1L_1|Chain... at 100%
6t1m
RCSB PDB
PDBbind
154aa, >6T1M_1|Chain... at 100%
6t1n
RCSB PDB
PDBbind
154aa, >6T1N_1|Chain... at 100%
6t1o
RCSB PDB
PDBbind
154aa, >6T1O_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
6ht1
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
MLLT1 YEATS domain
Ligand Name
GQ5
EC.Number
E.C.-.-.-.-
Resolution
2.1(Å)
Affinity (Kd/Ki/IC50)
Kd=0.077uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) Angew. Chem. Int. Ed. Engl. Vol. 57: pp. 16302-16307
Ligand Properties
Formula
C
2
2
H
2
5
N
6
O
Molecular Weight
389.474
Exact Mass
389.209
No. of atoms
54
No. of bonds
58
Polar Surface Area
80.04
LOGP Value
2.76 (
Computed with XLOGP3
)
3.91 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 5
Canonical SMILES
O=C(c1ccc2c(c1)cnn2C)Nc1ccc2c(c1)[nH]c(n2)C[N@H+]1CCC[C@@H]1C
InChI String
InChI=1S/C22H24N6O/c1-14-4-3-9-28(14)13-21-25-18-7-6-17(11-19(18)26-21)24-22(29)15-5-8-20-16(10-15)12-23-27(20)2/h5-8,10-12,14H,3-4,9,13H2,1-2H3,(H,24,29)(H,25,26)/p+1/t14-/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):
Q03111
Entrez Gene ID
NCBI Entrez Gene ID:
4298
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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