Browse entries in the PDBbind-CN Database
HEADER 4Z6H_COMPLEX COMPND 4Z6H_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 113 SER THR PRO ILE GLN GLN LEU LEU GLU HIS PHE LEU ARG SEQRES 2 A 113 GLN LEU GLN ARG LYS ASP PRO HIS GLY PHE PHE ALA PHE SEQRES 3 A 113 PRO VAL THR ASP ALA ILE ALA PRO GLY TYR SER MET ILE SEQRES 4 A 113 ILE LYS HIS PRO MET ASP PHE GLY THR MET LYS ASP LYS SEQRES 5 A 113 ILE VAL ALA ASN GLU TYR LYS SER VAL THR GLU PHE LYS SEQRES 6 A 113 ALA ASP PHE LYS LEU MET CYS ASP ASN ALA MET THR TYR SEQRES 7 A 113 ASN ARG PRO ASP THR VAL TYR TYR LYS LEU ALA LYS LYS SEQRES 8 A 113 ILE LEU HIS ALA GLY PHE LYS MET MET SER LYS GLU ARG SEQRES 9 A 113 LEU LEU ALA LEU LYS ARG SER MET SER HET UNN A 164 38 ATOM 1 N SER A 22 97.669 164.523 -3.357 1.00 66.84 N ATOM 2 CA SER A 22 97.367 163.371 -2.419 1.00 70.79 C ATOM 3 C SER A 22 96.035 163.629 -1.698 1.00 69.98 C ATOM 4 O SER A 22 95.960 164.550 -0.884 1.00 74.23 O ATOM 5 CB SER A 22 98.501 163.219 -1.400 1.00 76.19 C ATOM 6 OG SER A 22 98.385 162.027 -0.631 1.00 74.13 O ATOM 7 HG SER A 22 99.138 161.975 0.010 1.00 0.00 H ATOM 8 HN3 SER A 22 97.737 165.405 -2.810 1.00 0.00 H ATOM 9 HN2 SER A 22 96.906 164.606 -4.059 1.00 0.00 H ATOM 10 HN1 SER A 22 98.571 164.345 -3.843 1.00 0.00 H ATOM 11 N THR A 23 95.011 162.822 -1.993 1.00 61.51 N ATOM 12 CA THR A 23 93.641 163.038 -1.504 1.00 60.63 C ATOM 13 C THR A 23 93.518 162.858 0.011 1.00 62.29 C ATOM 14 O THR A 23 94.459 162.378 0.659 1.00 54.78 O ATOM 15 CB THR A 23 92.621 162.058 -2.137 1.00 59.37 C ATOM 16 OG1 THR A 23 92.866 160.717 -1.665 1.00 53.96 O ATOM 17 CG2 THR A 23 92.685 162.088 -3.655 1.00 61.49 C ATOM 18 HG1 THR A 23 93.783 160.442 -1.918 1.00 0.00 H ATOM 19 H THR A 23 95.193 161.998 -2.601 1.00 0.00 H ATOM 20 N PRO A 24 92.351 163.256 0.589 1.00 66.04 N ATOM 21 CA PRO A 24 92.012 163.010 1.999 1.00 61.16 C ATOM 22 C PRO A 24 92.067 161.571 2.450 1.00 54.16 C ATOM 23 O PRO A 24 92.646 161.323 3.482 1.00 48.38 O ATOM 24 CB PRO A 24 90.583 163.517 2.110 1.00 61.82 C ATOM 25 CG PRO A 24 90.594 164.704 1.199 1.00 64.94 C ATOM 26 CD PRO A 24 91.486 164.316 0.030 1.00 66.82 C ATOM 27 N ILE A 25 91.425 160.644 1.726 1.00 51.20 N ATOM 28 CA ILE A 25 91.542 159.246 2.090 1.00 52.02 C ATOM 29 C ILE A 25 93.006 158.803 2.070 1.00 46.42 C ATOM 30 O ILE A 25 93.441 158.084 3.000 1.00 46.83 O ATOM 31 CB ILE A 25 90.665 158.275 1.223 1.00 56.39 C ATOM 32 CG1 ILE A 25 90.803 156.834 1.758 1.00 56.28 C ATOM 33 CG2 ILE A 25 91.066 158.343 -0.240 1.00 59.09 C ATOM 34 CD1 ILE A 25 90.448 156.695 3.221 1.00 55.87 C ATOM 35 H ILE A 25 90.847 160.926 0.909 1.00 0.00 H ATOM 36 N GLN A 26 93.787 159.239 1.073 1.00 47.81 N ATOM 37 CA GLN A 26 95.179 158.737 0.983 1.00 49.02 C ATOM 38 C GLN A 26 96.013 159.228 2.166 1.00 50.18 C ATOM 39 O GLN A 26 96.885 158.516 2.637 1.00 48.09 O ATOM 40 CB GLN A 26 95.892 159.109 -0.310 1.00 50.08 C ATOM 41 CG GLN A 26 95.306 158.536 -1.599 1.00 50.27 C ATOM 42 CD GLN A 26 96.006 159.074 -2.852 1.00 53.44 C ATOM 43 OE1 GLN A 26 96.029 160.285 -3.088 1.00 60.91 O ATOM 44 NE2 GLN A 26 96.591 158.187 -3.640 1.00 55.61 N ATOM 45 HE22 GLN A 26 96.548 157.175 -3.405 1.00 0.00 H ATOM 46 HE21 GLN A 26 97.094 158.502 -4.494 1.00 0.00 H ATOM 47 H GLN A 26 93.423 159.918 0.374 1.00 0.00 H ATOM 48 N GLN A 27 95.726 160.443 2.635 1.00 46.66 N ATOM 49 CA GLN A 27 96.435 161.011 3.796 1.00 49.83 C ATOM 50 C GLN A 27 96.143 160.214 5.054 1.00 48.95 C ATOM 51 O GLN A 27 97.050 159.891 5.831 1.00 44.44 O ATOM 52 CB GLN A 27 95.964 162.448 4.008 1.00 54.68 C ATOM 53 CG GLN A 27 96.314 163.372 2.884 1.00 64.79 C ATOM 54 CD GLN A 27 97.800 163.541 2.772 1.00 70.61 C ATOM 55 OE1 GLN A 27 98.455 162.843 1.985 1.00 68.26 O ATOM 56 NE2 GLN A 27 98.346 164.446 3.568 1.00 68.89 N ATOM 57 HE22 GLN A 27 97.747 165.004 4.209 1.00 0.00 H ATOM 58 HE21 GLN A 27 99.374 164.599 3.552 1.00 0.00 H ATOM 59 H GLN A 27 94.984 161.004 2.170 1.00 0.00 H ATOM 60 N LEU A 28 94.854 159.882 5.229 1.00 48.36 N ATOM 61 CA LEU A 28 94.422 159.093 6.377 1.00 45.11 C ATOM 62 C LEU A 28 95.093 157.737 6.338 1.00 39.60 C ATOM 63 O LEU A 28 95.743 157.330 7.317 1.00 41.20 O ATOM 64 CB LEU A 28 92.893 158.976 6.432 1.00 47.12 C ATOM 65 CG LEU A 28 92.357 158.039 7.545 1.00 47.92 C ATOM 66 CD1 LEU A 28 92.752 158.615 8.897 1.00 53.69 C ATOM 67 CD2 LEU A 28 90.857 157.775 7.457 1.00 50.00 C ATOM 68 H LEU A 28 94.149 160.194 4.531 1.00 0.00 H ATOM 69 N LEU A 29 94.973 156.998 5.235 1.00 41.42 N ATOM 70 CA LEU A 29 95.704 155.770 5.103 1.00 37.01 C ATOM 71 C LEU A 29 97.213 155.849 5.300 1.00 39.88 C ATOM 72 O LEU A 29 97.783 154.962 5.980 1.00 38.20 O ATOM 73 CB LEU A 29 95.405 155.044 3.803 1.00 37.12 C ATOM 74 CG LEU A 29 93.922 154.702 3.649 1.00 40.63 C ATOM 75 CD1 LEU A 29 93.802 153.977 2.350 1.00 41.62 C ATOM 76 CD2 LEU A 29 93.253 153.871 4.760 1.00 41.44 C ATOM 77 H LEU A 29 94.347 157.313 4.467 1.00 0.00 H ATOM 78 N GLU A 30 97.872 156.894 4.772 1.00 42.91 N ATOM 79 CA GLU A 30 99.323 156.992 4.986 1.00 43.15 C ATOM 80 C GLU A 30 99.603 157.205 6.469 1.00 43.21 C ATOM 81 O GLU A 30 100.607 156.706 6.982 1.00 44.40 O ATOM 82 CB GLU A 30 99.980 158.105 4.133 1.00 46.53 C ATOM 83 CG GLU A 30 100.395 157.692 2.739 1.00 44.24 C ATOM 84 CD GLU A 30 100.682 158.883 1.845 1.00 47.65 C ATOM 85 OE1 GLU A 30 101.373 159.828 2.280 1.00 45.52 O ATOM 86 OE2 GLU A 30 100.197 158.903 0.715 1.00 52.71 O ATOM 87 H GLU A 30 97.366 157.618 4.223 1.00 0.00 H ATOM 88 N HIS A 31 98.729 157.946 7.161 1.00 42.54 N ATOM 89 CA HIS A 31 98.858 158.100 8.615 1.00 44.37 C ATOM 90 C HIS A 31 98.746 156.736 9.380 1.00 42.77 C ATOM 91 O HIS A 31 99.627 156.363 10.154 1.00 41.75 O ATOM 92 CB HIS A 31 97.805 159.089 9.122 1.00 45.71 C ATOM 93 CG HIS A 31 97.621 159.034 10.609 1.00 48.35 C ATOM 94 ND1 HIS A 31 98.484 159.646 11.483 1.00 52.85 N ATOM 95 CD2 HIS A 31 96.721 158.370 11.372 1.00 49.68 C ATOM 96 CE1 HIS A 31 98.099 159.402 12.720 1.00 52.23 C ATOM 97 NE2 HIS A 31 97.039 158.619 12.682 1.00 53.22 N ATOM 98 H HIS A 31 97.948 158.419 6.662 1.00 0.00 H ATOM 99 N PHE A 32 97.687 155.963 9.103 1.00 44.24 N ATOM 100 CA PHE A 32 97.537 154.648 9.751 1.00 41.44 C ATOM 101 C PHE A 32 98.753 153.798 9.434 1.00 42.23 C ATOM 102 O PHE A 32 99.354 153.164 10.336 1.00 39.81 O ATOM 103 CB PHE A 32 96.265 153.899 9.306 1.00 40.35 C ATOM 104 CG PHE A 32 94.992 154.446 9.870 1.00 44.38 C ATOM 105 CD1 PHE A 32 94.934 155.029 11.137 1.00 44.69 C ATOM 106 CD2 PHE A 32 93.826 154.356 9.145 1.00 46.77 C ATOM 107 CE1 PHE A 32 93.747 155.477 11.656 1.00 47.99 C ATOM 108 CE2 PHE A 32 92.640 154.822 9.667 1.00 48.99 C ATOM 109 CZ PHE A 32 92.607 155.412 10.904 1.00 49.28 C ATOM 110 H PHE A 32 96.968 156.293 8.428 1.00 0.00 H ATOM 111 N LEU A 33 99.168 153.823 8.168 1.00 42.94 N ATOM 112 CA LEU A 33 100.322 153.022 7.734 1.00 41.04 C ATOM 113 C LEU A 33 101.580 153.433 8.467 1.00 40.96 C ATOM 114 O LEU A 33 102.296 152.557 8.971 1.00 39.35 O ATOM 115 CB LEU A 33 100.550 152.984 6.206 1.00 40.45 C ATOM 116 CG LEU A 33 101.737 152.165 5.701 1.00 42.32 C ATOM 117 CD1 LEU A 33 101.486 150.676 5.991 1.00 42.12 C ATOM 118 CD2 LEU A 33 101.976 152.321 4.190 1.00 44.97 C ATOM 119 H LEU A 33 98.668 154.418 7.477 1.00 0.00 H ATOM 120 N ARG A 34 101.859 154.738 8.576 1.00 41.91 N ATOM 121 CA ARG A 34 102.998 155.149 9.351 1.00 41.24 C ATOM 122 C ARG A 34 102.981 154.700 10.797 1.00 42.33 C ATOM 123 O ARG A 34 103.985 154.293 11.320 1.00 40.85 O ATOM 124 CB ARG A 34 103.197 156.709 9.285 1.00 47.34 C ATOM 125 CG ARG A 34 104.006 157.143 8.054 1.00 51.73 C ATOM 126 CD ARG A 34 104.407 158.652 8.134 1.00 56.14 C ATOM 127 NE ARG A 34 103.309 159.432 8.706 1.00 57.59 N ATOM 128 CZ ARG A 34 102.364 160.056 8.001 1.00 57.07 C ATOM 129 NH1 ARG A 34 102.385 160.073 6.677 1.00 60.13 N ATOM 130 NH2 ARG A 34 101.402 160.712 8.627 1.00 62.98 N ATOM 131 HE ARG A 34 103.262 159.506 9.742 1.00 0.00 H ATOM 132 HH12 ARG A 34 101.636 160.567 6.151 1.00 0.00 H ATOM 133 HH11 ARG A 34 103.151 159.592 6.163 1.00 0.00 H ATOM 134 HH22 ARG A 34 100.664 161.199 8.080 1.00 0.00 H ATOM 135 HH21 ARG A 34 101.383 160.741 9.666 1.00 0.00 H ATOM 136 H ARG A 34 101.259 155.446 8.106 1.00 0.00 H ATOM 137 N GLN A 35 101.845 154.791 11.457 1.00 42.50 N ATOM 138 CA GLN A 35 101.768 154.373 12.859 1.00 43.08 C ATOM 139 C GLN A 35 101.966 152.861 13.008 1.00 40.59 C ATOM 140 O GLN A 35 102.568 152.361 13.961 1.00 40.41 O ATOM 141 CB GLN A 35 100.399 154.750 13.411 1.00 44.15 C ATOM 142 CG GLN A 35 100.175 156.245 13.461 1.00 48.96 C ATOM 143 CD GLN A 35 101.022 156.834 14.552 1.00 56.84 C ATOM 144 OE1 GLN A 35 102.205 157.129 14.375 1.00 66.10 O ATOM 145 NE2 GLN A 35 100.435 156.972 15.690 1.00 66.35 N ATOM 146 HE22 GLN A 35 99.434 156.710 15.794 1.00 0.00 H ATOM 147 HE21 GLN A 35 100.962 157.345 16.505 1.00 0.00 H ATOM 148 H GLN A 35 100.998 155.162 10.980 1.00 0.00 H ATOM 149 N LEU A 36 101.436 152.090 12.076 1.00 39.19 N ATOM 150 CA LEU A 36 101.725 150.647 12.118 1.00 39.08 C ATOM 151 C LEU A 36 103.188 150.367 11.880 1.00 38.88 C ATOM 152 O LEU A 36 103.794 149.537 12.566 1.00 39.39 O ATOM 153 CB LEU A 36 100.886 149.866 11.097 1.00 37.77 C ATOM 154 CG LEU A 36 99.390 150.035 11.263 1.00 38.52 C ATOM 155 CD1 LEU A 36 98.650 149.489 10.050 1.00 41.73 C ATOM 156 CD2 LEU A 36 98.856 149.378 12.552 1.00 42.90 C ATOM 157 H LEU A 36 100.830 152.492 11.332 1.00 0.00 H ATOM 158 N GLN A 37 103.794 151.023 10.920 1.00 37.65 N ATOM 159 CA GLN A 37 105.199 150.683 10.675 1.00 42.92 C ATOM 160 C GLN A 37 106.105 151.127 11.796 1.00 40.57 C ATOM 161 O GLN A 37 107.144 150.506 12.018 1.00 41.17 O ATOM 162 CB GLN A 37 105.746 151.235 9.354 1.00 42.74 C ATOM 163 CG GLN A 37 105.016 150.675 8.203 1.00 44.33 C ATOM 164 CD GLN A 37 105.713 150.840 6.874 1.00 44.73 C ATOM 165 OE1 GLN A 37 105.305 151.668 6.060 1.00 44.77 O ATOM 166 NE2 GLN A 37 106.730 150.012 6.624 1.00 44.19 N ATOM 167 HE22 GLN A 37 107.035 149.330 7.348 1.00 0.00 H ATOM 168 HE21 GLN A 37 107.217 150.049 5.706 1.00 0.00 H ATOM 169 H GLN A 37 103.302 151.749 10.360 1.00 0.00 H ATOM 170 N ARG A 38 105.727 152.164 12.528 1.00 43.61 N ATOM 171 CA ARG A 38 106.560 152.530 13.708 1.00 46.15 C ATOM 172 C ARG A 38 106.582 151.385 14.704 1.00 49.05 C ATOM 173 O ARG A 38 107.522 151.284 15.523 1.00 45.44 O ATOM 174 CB ARG A 38 106.052 153.784 14.383 1.00 51.52 C ATOM 175 CG ARG A 38 105.962 154.956 13.420 1.00 54.33 C ATOM 176 CD ARG A 38 106.027 156.286 14.092 1.00 65.06 C ATOM 177 NE ARG A 38 105.477 156.244 15.438 1.00 71.26 N ATOM 178 CZ ARG A 38 105.651 157.213 16.329 1.00 77.97 C ATOM 179 NH1 ARG A 38 105.123 157.091 17.538 1.00 75.53 N ATOM 180 NH2 ARG A 38 106.353 158.301 16.017 1.00 86.09 N ATOM 181 HE ARG A 38 104.919 155.412 15.717 1.00 0.00 H ATOM 182 HH12 ARG A 38 105.255 157.846 18.242 1.00 0.00 H ATOM 183 HH11 ARG A 38 104.577 156.241 17.784 1.00 0.00 H ATOM 184 HH22 ARG A 38 106.484 159.055 16.721 1.00 0.00 H ATOM 185 HH21 ARG A 38 106.770 158.397 15.069 1.00 0.00 H ATOM 186 H ARG A 38 104.874 152.707 12.286 1.00 0.00 H ATOM 187 N LYS A 39 105.569 150.501 14.627 1.00 46.74 N ATOM 188 CA LYS A 39 105.582 149.309 15.500 1.00 45.90 C ATOM 189 C LYS A 39 106.571 148.264 15.063 1.00 45.59 C ATOM 190 O LYS A 39 106.794 147.325 15.808 1.00 44.65 O ATOM 191 CB LYS A 39 104.196 148.705 15.696 1.00 42.30 C ATOM 192 CG LYS A 39 103.201 149.666 16.301 1.00 47.31 C ATOM 193 CD LYS A 39 101.795 149.135 16.289 1.00 47.14 C ATOM 194 CE LYS A 39 100.764 150.209 16.562 1.00 49.96 C ATOM 195 NZ LYS A 39 100.960 150.960 17.836 1.00 52.21 N ATOM 196 HZ1 LYS A 39 100.921 150.298 18.637 1.00 0.00 H ATOM 197 HZ2 LYS A 39 101.887 151.432 17.820 1.00 0.00 H ATOM 198 HZ3 LYS A 39 100.209 151.672 17.936 1.00 0.00 H ATOM 199 H LYS A 39 104.786 150.656 13.960 1.00 0.00 H ATOM 200 N ASP A 40 107.138 148.397 13.859 1.00 44.92 N ATOM 201 CA ASP A 40 108.043 147.426 13.301 1.00 42.34 C ATOM 202 C ASP A 40 109.315 148.111 12.925 1.00 47.33 C ATOM 203 O ASP A 40 109.549 148.384 11.749 1.00 47.36 O ATOM 204 CB ASP A 40 107.364 146.784 12.058 1.00 42.46 C ATOM 205 CG ASP A 40 108.309 145.911 11.198 1.00 40.07 C ATOM 206 OD1 ASP A 40 109.248 145.260 11.689 1.00 41.01 O ATOM 207 OD2 ASP A 40 108.083 145.831 9.975 1.00 46.31 O ATOM 208 H ASP A 40 106.914 149.244 13.298 1.00 0.00 H ATOM 209 N PRO A 41 110.131 148.480 13.936 1.00 49.14 N ATOM 210 CA PRO A 41 111.351 149.256 13.713 1.00 55.13 C ATOM 211 C PRO A 41 112.359 148.551 12.844 1.00 58.30 C ATOM 212 O PRO A 41 113.126 149.214 12.168 1.00 57.65 O ATOM 213 CB PRO A 41 111.952 149.400 15.123 1.00 56.50 C ATOM 214 CG PRO A 41 111.257 148.321 15.919 1.00 55.01 C ATOM 215 CD PRO A 41 109.866 148.310 15.363 1.00 50.29 C ATOM 216 N HIS A 42 112.366 147.225 12.859 1.00 52.42 N ATOM 217 CA HIS A 42 113.317 146.470 12.034 1.00 53.85 C ATOM 218 C HIS A 42 112.895 146.162 10.626 1.00 49.74 C ATOM 219 O HIS A 42 113.648 145.564 9.898 1.00 52.43 O ATOM 220 CB HIS A 42 113.751 145.235 12.758 1.00 53.24 C ATOM 221 CG HIS A 42 114.379 145.567 14.062 1.00 63.10 C ATOM 222 ND1 HIS A 42 115.571 146.257 14.140 1.00 60.34 N ATOM 223 CD2 HIS A 42 113.947 145.410 15.333 1.00 67.49 C ATOM 224 CE1 HIS A 42 115.875 146.459 15.407 1.00 66.26 C ATOM 225 NE2 HIS A 42 114.912 145.953 16.155 1.00 68.06 N ATOM 226 H HIS A 42 111.690 146.714 13.462 1.00 0.00 H ATOM 227 N GLY A 43 111.720 146.633 10.215 1.00 50.70 N ATOM 228 CA GLY A 43 111.290 146.437 8.858 1.00 47.78 C ATOM 229 C GLY A 43 111.093 144.989 8.484 1.00 48.79 C ATOM 230 O GLY A 43 111.228 144.620 7.310 1.00 46.51 O ATOM 231 H GLY A 43 111.108 147.147 10.881 1.00 0.00 H ATOM 232 N PHE A 44 110.743 144.155 9.467 1.00 46.51 N ATOM 233 CA PHE A 44 110.405 142.761 9.143 1.00 43.32 C ATOM 234 C PHE A 44 109.304 142.654 8.104 1.00 40.61 C ATOM 235 O PHE A 44 109.304 141.729 7.281 1.00 41.04 O ATOM 236 CB PHE A 44 109.958 141.963 10.380 1.00 43.94 C ATOM 237 CG PHE A 44 111.043 141.756 11.409 1.00 50.56 C ATOM 238 CD1 PHE A 44 112.319 141.342 11.036 1.00 58.06 C ATOM 239 CD2 PHE A 44 110.788 141.996 12.743 1.00 54.33 C ATOM 240 CE1 PHE A 44 113.316 141.183 11.978 1.00 56.62 C ATOM 241 CE2 PHE A 44 111.778 141.844 13.690 1.00 55.53 C ATOM 242 CZ PHE A 44 113.045 141.446 13.298 1.00 58.53 C ATOM 243 H PHE A 44 110.710 144.488 10.452 1.00 0.00 H ATOM 244 N PHE A 45 108.328 143.548 8.181 1.00 36.14 N ATOM 245 CA PHE A 45 107.139 143.496 7.330 1.00 37.19 C ATOM 246 C PHE A 45 107.184 144.566 6.265 1.00 38.52 C ATOM 247 O PHE A 45 106.169 144.814 5.606 1.00 39.11 O ATOM 248 CB PHE A 45 105.899 143.680 8.167 1.00 38.11 C ATOM 249 CG PHE A 45 105.742 142.551 9.211 1.00 40.24 C ATOM 250 CD1 PHE A 45 105.564 141.230 8.800 1.00 44.90 C ATOM 251 CD2 PHE A 45 105.851 142.807 10.577 1.00 39.51 C ATOM 252 CE1 PHE A 45 105.515 140.199 9.742 1.00 42.20 C ATOM 253 CE2 PHE A 45 105.779 141.792 11.520 1.00 42.27 C ATOM 254 CZ PHE A 45 105.592 140.483 11.097 1.00 45.08 C ATOM 255 H PHE A 45 108.411 144.318 8.875 1.00 0.00 H ATOM 256 N ALA A 46 108.351 145.169 6.079 1.00 40.91 N ATOM 257 CA ALA A 46 108.469 146.349 5.135 1.00 40.59 C ATOM 258 C ALA A 46 108.338 145.945 3.681 1.00 41.28 C ATOM 259 O ALA A 46 107.954 146.773 2.827 1.00 43.05 O ATOM 260 CB ALA A 46 109.796 147.086 5.337 1.00 42.98 C ATOM 261 H ALA A 46 109.193 144.829 6.586 1.00 0.00 H ATOM 262 N PHE A 47 108.762 144.720 3.359 1.00 43.00 N ATOM 263 CA PHE A 47 108.777 144.230 1.988 1.00 39.45 C ATOM 264 C PHE A 47 108.410 142.740 1.923 1.00 42.79 C ATOM 265 O PHE A 47 108.457 142.080 2.999 1.00 38.89 O ATOM 266 CB PHE A 47 110.164 144.404 1.381 1.00 42.61 C ATOM 267 CG PHE A 47 110.566 145.824 1.240 1.00 38.72 C ATOM 268 CD1 PHE A 47 110.061 146.581 0.224 1.00 39.44 C ATOM 269 CD2 PHE A 47 111.384 146.399 2.161 1.00 40.18 C ATOM 270 CE1 PHE A 47 110.422 147.894 0.097 1.00 39.57 C ATOM 271 CE2 PHE A 47 111.724 147.720 2.070 1.00 39.28 C ATOM 272 CZ PHE A 47 111.263 148.459 1.020 1.00 39.72 C ATOM 273 H PHE A 47 109.095 144.091 4.118 1.00 0.00 H ATOM 274 N PRO A 48 108.176 142.194 0.698 1.00 42.16 N ATOM 275 CA PRO A 48 107.749 140.777 0.584 1.00 40.86 C ATOM 276 C PRO A 48 108.776 139.771 1.008 1.00 42.12 C ATOM 277 O PRO A 48 109.960 140.025 0.917 1.00 40.11 O ATOM 278 CB PRO A 48 107.470 140.592 -0.919 1.00 45.50 C ATOM 279 CG PRO A 48 107.372 141.976 -1.492 1.00 43.58 C ATOM 280 CD PRO A 48 108.255 142.825 -0.638 1.00 44.60 C ATOM 281 N VAL A 49 108.297 138.634 1.544 1.00 36.63 N ATOM 282 CA VAL A 49 109.104 137.545 1.900 1.00 39.26 C ATOM 283 C VAL A 49 109.416 136.707 0.670 1.00 40.03 C ATOM 284 O VAL A 49 108.505 136.323 -0.084 1.00 46.82 O ATOM 285 CB VAL A 49 108.348 136.641 2.938 1.00 40.01 C ATOM 286 CG1 VAL A 49 109.256 135.514 3.356 1.00 42.27 C ATOM 287 CG2 VAL A 49 107.994 137.505 4.179 1.00 40.75 C ATOM 288 H VAL A 49 107.272 138.559 1.703 1.00 0.00 H ATOM 289 N THR A 50 110.687 136.402 0.479 1.00 42.59 N ATOM 290 CA THR A 50 111.132 135.605 -0.689 1.00 46.52 C ATOM 291 C THR A 50 111.409 134.190 -0.228 1.00 45.56 C ATOM 292 O THR A 50 111.790 133.993 0.926 1.00 44.98 O ATOM 293 CB THR A 50 112.453 136.130 -1.299 1.00 46.57 C ATOM 294 OG1 THR A 50 113.494 136.058 -0.321 1.00 51.47 O ATOM 295 CG2 THR A 50 112.325 137.545 -1.770 1.00 50.96 C ATOM 296 HG1 THR A 50 113.613 135.117 -0.036 1.00 0.00 H ATOM 297 H THR A 50 111.395 136.730 1.167 1.00 0.00 H ATOM 298 N ASP A 51 111.193 133.225 -1.115 1.00 44.19 N ATOM 299 CA ASP A 51 111.499 131.835 -0.839 1.00 48.81 C ATOM 300 C ASP A 51 112.975 131.622 -0.465 1.00 50.96 C ATOM 301 O ASP A 51 113.309 130.742 0.344 1.00 48.76 O ATOM 302 CB ASP A 51 111.068 130.975 -2.020 1.00 50.31 C ATOM 303 CG ASP A 51 109.554 130.809 -2.104 1.00 45.95 C ATOM 304 OD1 ASP A 51 108.812 131.215 -1.171 1.00 41.64 O ATOM 305 OD2 ASP A 51 109.100 130.311 -3.143 1.00 39.46 O ATOM 306 H ASP A 51 110.790 133.476 -2.040 1.00 0.00 H ATOM 307 N ALA A 52 113.870 132.438 -1.024 1.00 51.71 N ATOM 308 CA ALA A 52 115.296 132.334 -0.694 1.00 54.14 C ATOM 309 C ALA A 52 115.639 132.615 0.780 1.00 55.84 C ATOM 310 O ALA A 52 116.594 132.051 1.310 1.00 61.96 O ATOM 311 CB ALA A 52 116.144 133.190 -1.639 1.00 57.55 C ATOM 312 H ALA A 52 113.552 133.158 -1.704 1.00 0.00 H ATOM 313 N ILE A 53 114.880 133.454 1.465 1.00 56.06 N ATOM 314 CA ILE A 53 115.068 133.589 2.899 1.00 57.72 C ATOM 315 C ILE A 53 114.048 132.750 3.731 1.00 57.44 C ATOM 316 O ILE A 53 114.239 132.559 4.937 1.00 53.70 O ATOM 317 CB ILE A 53 115.108 135.064 3.340 1.00 67.46 C ATOM 318 CG1 ILE A 53 115.675 135.129 4.764 1.00 74.11 C ATOM 319 CG2 ILE A 53 113.733 135.751 3.232 1.00 63.33 C ATOM 320 CD1 ILE A 53 116.340 136.434 5.124 1.00 79.25 C ATOM 321 H ILE A 53 114.151 134.015 0.979 1.00 0.00 H ATOM 322 N ALA A 54 112.987 132.252 3.091 1.00 50.87 N ATOM 323 CA ALA A 54 111.868 131.612 3.803 1.00 48.43 C ATOM 324 C ALA A 54 111.411 130.363 3.045 1.00 42.90 C ATOM 325 O ALA A 54 110.484 130.385 2.251 1.00 42.46 O ATOM 326 CB ALA A 54 110.725 132.622 4.005 1.00 45.24 C ATOM 327 H ALA A 54 112.950 132.318 2.054 1.00 0.00 H ATOM 328 N PRO A 55 112.101 129.234 3.272 1.00 48.86 N ATOM 329 CA PRO A 55 111.799 128.083 2.430 1.00 47.18 C ATOM 330 C PRO A 55 110.321 127.684 2.501 1.00 44.76 C ATOM 331 O PRO A 55 109.700 127.600 3.610 1.00 41.29 O ATOM 332 CB PRO A 55 112.729 126.989 2.972 1.00 54.07 C ATOM 333 CG PRO A 55 113.737 127.675 3.842 1.00 54.28 C ATOM 334 CD PRO A 55 113.101 128.938 4.321 1.00 50.85 C ATOM 335 N GLY A 56 109.728 127.501 1.323 1.00 42.98 N ATOM 336 CA GLY A 56 108.355 127.031 1.213 1.00 40.80 C ATOM 337 C GLY A 56 107.309 128.142 1.332 1.00 38.38 C ATOM 338 O GLY A 56 106.129 127.882 1.265 1.00 38.47 O ATOM 339 H GLY A 56 110.263 127.700 0.454 1.00 0.00 H ATOM 340 N TYR A 57 107.757 129.357 1.547 1.00 36.00 N ATOM 341 CA TYR A 57 106.838 130.503 1.800 1.00 35.13 C ATOM 342 C TYR A 57 105.723 130.644 0.775 1.00 38.26 C ATOM 343 O TYR A 57 104.550 130.770 1.143 1.00 38.79 O ATOM 344 CB TYR A 57 107.633 131.788 1.965 1.00 33.78 C ATOM 345 CG TYR A 57 106.784 132.877 2.649 1.00 32.46 C ATOM 346 CD1 TYR A 57 106.726 132.967 4.019 1.00 33.88 C ATOM 347 CD2 TYR A 57 106.019 133.738 1.900 1.00 35.68 C ATOM 348 CE1 TYR A 57 105.923 133.924 4.637 1.00 33.78 C ATOM 349 CE2 TYR A 57 105.209 134.692 2.460 1.00 31.92 C ATOM 350 CZ TYR A 57 105.158 134.805 3.826 1.00 33.07 C ATOM 351 OH TYR A 57 104.301 135.740 4.365 1.00 32.55 O ATOM 352 HH TYR A 57 104.365 135.714 5.353 1.00 0.00 H ATOM 353 H TYR A 57 108.783 129.525 1.541 1.00 0.00 H ATOM 354 N SER A 58 106.061 130.570 -0.524 1.00 37.04 N ATOM 355 CA SER A 58 105.074 130.858 -1.556 1.00 40.51 C ATOM 356 C SER A 58 104.063 129.701 -1.722 1.00 40.31 C ATOM 357 O SER A 58 103.058 129.874 -2.385 1.00 42.77 O ATOM 358 CB SER A 58 105.782 131.149 -2.901 1.00 39.51 C ATOM 359 OG SER A 58 106.570 130.027 -3.264 1.00 39.31 O ATOM 360 HG SER A 58 107.246 129.859 -2.561 1.00 0.00 H ATOM 361 H SER A 58 107.030 130.306 -0.793 1.00 0.00 H ATOM 362 N MET A 59 104.316 128.529 -1.146 1.00 37.61 N ATOM 363 CA MET A 59 103.351 127.426 -1.132 1.00 38.64 C ATOM 364 C MET A 59 102.452 127.454 0.087 1.00 37.34 C ATOM 365 O MET A 59 101.291 127.087 0.045 1.00 41.17 O ATOM 366 CB MET A 59 104.053 126.068 -1.149 1.00 41.07 C ATOM 367 CG MET A 59 104.570 125.669 -2.509 1.00 44.71 C ATOM 368 SD MET A 59 105.269 124.013 -2.454 1.00 55.09 S ATOM 369 CE MET A 59 103.856 123.048 -1.890 1.00 46.92 C ATOM 370 H MET A 59 105.238 128.389 -0.686 1.00 0.00 H ATOM 371 N ILE A 60 103.031 127.873 1.192 1.00 38.30 N ATOM 372 CA ILE A 60 102.313 127.982 2.496 1.00 36.23 C ATOM 373 C ILE A 60 101.483 129.238 2.562 1.00 35.81 C ATOM 374 O ILE A 60 100.369 129.202 3.033 1.00 36.70 O ATOM 375 CB ILE A 60 103.333 127.938 3.627 1.00 36.62 C ATOM 376 CG1 ILE A 60 103.911 126.494 3.717 1.00 38.91 C ATOM 377 CG2 ILE A 60 102.680 128.269 4.981 1.00 35.75 C ATOM 378 CD1 ILE A 60 105.188 126.412 4.516 1.00 40.72 C ATOM 379 H ILE A 60 104.035 128.141 1.155 1.00 0.00 H ATOM 380 N ILE A 61 102.015 130.318 1.995 1.00 33.27 N ATOM 381 CA ILE A 61 101.354 131.667 1.955 1.00 32.18 C ATOM 382 C ILE A 61 101.001 131.991 0.515 1.00 35.66 C ATOM 383 O ILE A 61 101.826 132.531 -0.223 1.00 35.37 O ATOM 384 CB ILE A 61 102.280 132.730 2.605 1.00 30.54 C ATOM 385 CG1 ILE A 61 102.639 132.311 4.028 1.00 31.22 C ATOM 386 CG2 ILE A 61 101.658 134.134 2.563 1.00 30.23 C ATOM 387 CD1 ILE A 61 101.462 132.145 4.968 1.00 30.74 C ATOM 388 H ILE A 61 102.950 130.222 1.550 1.00 0.00 H ATOM 389 N LYS A 62 99.768 131.690 0.128 1.00 35.35 N ATOM 390 CA LYS A 62 99.262 131.909 -1.267 1.00 36.36 C ATOM 391 C LYS A 62 98.753 133.323 -1.460 1.00 34.76 C ATOM 392 O LYS A 62 98.483 133.783 -2.609 1.00 33.34 O ATOM 393 CB LYS A 62 98.088 130.962 -1.530 1.00 40.31 C ATOM 394 CG LYS A 62 98.531 129.506 -1.788 1.00 48.22 C ATOM 395 CD LYS A 62 97.329 128.611 -1.623 1.00 57.22 C ATOM 396 CE LYS A 62 97.674 127.254 -0.983 1.00 71.20 C ATOM 397 NZ LYS A 62 98.334 126.333 -1.958 1.00 78.66 N ATOM 398 HZ1 LYS A 62 97.694 126.163 -2.760 1.00 0.00 H ATOM 399 HZ2 LYS A 62 99.215 126.767 -2.301 1.00 0.00 H ATOM 400 HZ3 LYS A 62 98.550 125.430 -1.489 1.00 0.00 H ATOM 401 H LYS A 62 99.118 131.281 0.829 1.00 0.00 H ATOM 402 N HIS A 63 98.614 134.077 -0.360 1.00 30.04 N ATOM 403 CA HIS A 63 98.173 135.480 -0.468 1.00 32.03 C ATOM 404 C HIS A 63 99.094 136.427 0.261 1.00 31.24 C ATOM 405 O HIS A 63 98.737 136.972 1.367 1.00 29.50 O ATOM 406 CB HIS A 63 96.748 135.602 0.065 1.00 34.89 C ATOM 407 CG HIS A 63 95.719 134.909 -0.788 1.00 34.43 C ATOM 408 ND1 HIS A 63 95.464 133.565 -0.720 1.00 39.65 N ATOM 409 CD2 HIS A 63 94.845 135.413 -1.693 1.00 31.48 C ATOM 410 CE1 HIS A 63 94.513 133.245 -1.588 1.00 32.78 C ATOM 411 NE2 HIS A 63 94.084 134.353 -2.143 1.00 38.99 N ATOM 412 H HIS A 63 98.818 133.670 0.575 1.00 0.00 H ATOM 413 N PRO A 64 100.284 136.633 -0.269 1.00 31.45 N ATOM 414 CA PRO A 64 101.246 137.427 0.460 1.00 31.11 C ATOM 415 C PRO A 64 100.881 138.869 0.587 1.00 33.35 C ATOM 416 O PRO A 64 100.209 139.413 -0.293 1.00 33.16 O ATOM 417 CB PRO A 64 102.519 137.242 -0.326 1.00 38.80 C ATOM 418 CG PRO A 64 102.092 136.898 -1.693 1.00 41.13 C ATOM 419 CD PRO A 64 100.834 136.128 -1.531 1.00 37.55 C ATOM 420 N MET A 65 101.408 139.498 1.658 1.00 29.37 N ATOM 421 CA MET A 65 101.207 140.918 1.891 1.00 30.03 C ATOM 422 C MET A 65 102.318 141.470 2.742 1.00 33.86 C ATOM 423 O MET A 65 102.979 140.733 3.557 1.00 33.58 O ATOM 424 CB MET A 65 99.824 141.126 2.452 1.00 30.34 C ATOM 425 CG MET A 65 99.329 142.519 2.640 1.00 31.72 C ATOM 426 SD MET A 65 99.308 143.597 1.133 1.00 33.68 S ATOM 427 CE MET A 65 98.231 142.599 0.117 1.00 34.79 C ATOM 428 H MET A 65 101.975 138.950 2.337 1.00 0.00 H ATOM 429 N ASP A 66 102.574 142.767 2.573 1.00 33.64 N ATOM 430 CA ASP A 66 103.573 143.463 3.348 1.00 35.42 C ATOM 431 C ASP A 66 103.276 144.967 3.297 1.00 35.83 C ATOM 432 O ASP A 66 102.524 145.414 2.448 1.00 36.06 O ATOM 433 CB ASP A 66 104.941 143.206 2.749 1.00 36.16 C ATOM 434 CG ASP A 66 105.052 143.773 1.334 1.00 37.72 C ATOM 435 OD1 ASP A 66 104.585 143.139 0.386 1.00 37.46 O ATOM 436 OD2 ASP A 66 105.521 144.939 1.186 1.00 36.84 O ATOM 437 H ASP A 66 102.035 143.296 1.858 1.00 0.00 H ATOM 438 N PHE A 67 103.896 145.728 4.190 1.00 36.14 N ATOM 439 CA PHE A 67 103.682 147.164 4.264 1.00 38.30 C ATOM 440 C PHE A 67 104.055 147.925 2.978 1.00 39.88 C ATOM 441 O PHE A 67 103.425 148.962 2.668 1.00 41.10 O ATOM 442 CB PHE A 67 104.515 147.748 5.399 1.00 37.76 C ATOM 443 CG PHE A 67 103.990 147.467 6.821 1.00 36.83 C ATOM 444 CD1 PHE A 67 102.634 147.668 7.162 1.00 34.28 C ATOM 445 CD2 PHE A 67 104.883 147.110 7.844 1.00 35.92 C ATOM 446 CE1 PHE A 67 102.206 147.510 8.498 1.00 37.78 C ATOM 447 CE2 PHE A 67 104.452 146.971 9.170 1.00 34.71 C ATOM 448 CZ PHE A 67 103.130 147.165 9.503 1.00 34.90 C ATOM 449 H PHE A 67 104.556 145.283 4.859 1.00 0.00 H ATOM 450 N GLY A 68 105.105 147.473 2.284 1.00 42.94 N ATOM 451 CA GLY A 68 105.519 148.106 0.974 1.00 44.04 C ATOM 452 C GLY A 68 104.414 148.032 -0.042 1.00 44.29 C ATOM 453 O GLY A 68 104.089 149.009 -0.683 1.00 45.15 O ATOM 454 H GLY A 68 105.650 146.668 2.654 1.00 0.00 H ATOM 455 N THR A 69 103.754 146.870 -0.121 1.00 37.18 N ATOM 456 CA THR A 69 102.647 146.646 -1.003 1.00 36.39 C ATOM 457 C THR A 69 101.405 147.477 -0.646 1.00 35.83 C ATOM 458 O THR A 69 100.696 148.047 -1.537 1.00 37.56 O ATOM 459 CB THR A 69 102.266 145.147 -1.077 1.00 37.98 C ATOM 460 OG1 THR A 69 103.358 144.404 -1.620 1.00 35.87 O ATOM 461 CG2 THR A 69 101.086 144.960 -1.955 1.00 39.99 C ATOM 462 HG1 THR A 69 104.152 144.515 -1.039 1.00 0.00 H ATOM 463 H THR A 69 104.061 146.087 0.491 1.00 0.00 H ATOM 464 N MET A 70 101.217 147.676 0.634 1.00 33.02 N ATOM 465 CA MET A 70 100.145 148.526 1.146 1.00 33.01 C ATOM 466 C MET A 70 100.458 149.992 0.778 1.00 35.59 C ATOM 467 O MET A 70 99.569 150.717 0.317 1.00 38.94 O ATOM 468 CB MET A 70 99.984 148.294 2.648 1.00 34.93 C ATOM 469 CG MET A 70 99.465 146.909 2.937 1.00 35.87 C ATOM 470 SD MET A 70 99.522 146.473 4.678 1.00 37.39 S ATOM 471 CE MET A 70 98.386 147.578 5.360 1.00 35.00 C ATOM 472 H MET A 70 101.855 147.212 1.312 1.00 0.00 H ATOM 473 N LYS A 71 101.716 150.372 0.878 1.00 36.71 N ATOM 474 CA LYS A 71 102.179 151.766 0.524 1.00 36.10 C ATOM 475 C LYS A 71 101.844 151.963 -0.971 1.00 38.77 C ATOM 476 O LYS A 71 101.208 152.999 -1.328 1.00 43.58 O ATOM 477 CB LYS A 71 103.673 151.968 0.782 1.00 35.82 C ATOM 478 CG LYS A 71 104.233 153.340 0.276 1.00 38.72 C ATOM 479 CD LYS A 71 103.821 154.477 1.163 1.00 39.73 C ATOM 480 CE LYS A 71 104.356 155.806 0.643 1.00 45.87 C ATOM 481 NZ LYS A 71 103.996 156.863 1.604 1.00 48.91 N ATOM 482 HZ1 LYS A 71 102.961 156.908 1.696 1.00 0.00 H ATOM 483 HZ2 LYS A 71 104.419 156.647 2.529 1.00 0.00 H ATOM 484 HZ3 LYS A 71 104.355 157.777 1.262 1.00 0.00 H ATOM 485 H LYS A 71 102.419 149.684 1.215 1.00 0.00 H ATOM 486 N ASP A 72 102.240 150.979 -1.803 1.00 42.47 N ATOM 487 CA ASP A 72 102.036 151.028 -3.256 1.00 43.77 C ATOM 488 C ASP A 72 100.582 151.155 -3.658 1.00 43.69 C ATOM 489 O ASP A 72 100.220 151.936 -4.593 1.00 41.68 O ATOM 490 CB ASP A 72 102.755 149.921 -4.010 1.00 47.96 C ATOM 491 CG ASP A 72 104.246 149.973 -3.834 1.00 48.30 C ATOM 492 OD1 ASP A 72 104.777 151.006 -3.441 1.00 58.09 O ATOM 493 OD2 ASP A 72 104.914 148.954 -4.046 1.00 54.82 O ATOM 494 H ASP A 72 102.712 150.146 -1.397 1.00 0.00 H ATOM 495 N LYS A 73 99.745 150.419 -2.950 1.00 41.49 N ATOM 496 CA LYS A 73 98.326 150.427 -3.167 1.00 41.36 C ATOM 497 C LYS A 73 97.788 151.764 -2.757 1.00 43.47 C ATOM 498 O LYS A 73 96.868 152.289 -3.453 1.00 44.72 O ATOM 499 CB LYS A 73 97.585 149.333 -2.450 1.00 39.98 C ATOM 500 CG LYS A 73 97.748 147.916 -3.118 1.00 39.60 C ATOM 501 CD LYS A 73 97.183 146.803 -2.262 1.00 38.63 C ATOM 502 CE LYS A 73 95.696 146.735 -2.396 1.00 45.02 C ATOM 503 NZ LYS A 73 95.220 145.498 -1.779 1.00 46.97 N ATOM 504 HZ1 LYS A 73 95.654 144.684 -2.258 1.00 0.00 H ATOM 505 HZ2 LYS A 73 95.483 145.490 -0.773 1.00 0.00 H ATOM 506 HZ3 LYS A 73 94.185 145.443 -1.868 1.00 0.00 H ATOM 507 H LYS A 73 100.131 149.807 -2.203 1.00 0.00 H ATOM 508 N ILE A 74 98.303 152.342 -1.668 1.00 40.03 N ATOM 509 CA ILE A 74 97.816 153.706 -1.331 1.00 42.45 C ATOM 510 C ILE A 74 98.231 154.716 -2.451 1.00 42.94 C ATOM 511 O ILE A 74 97.415 155.436 -3.002 1.00 50.76 O ATOM 512 CB ILE A 74 98.302 154.258 0.040 1.00 41.53 C ATOM 513 CG1 ILE A 74 97.815 153.447 1.259 1.00 38.89 C ATOM 514 CG2 ILE A 74 97.873 155.715 0.175 1.00 44.83 C ATOM 515 CD1 ILE A 74 98.639 153.747 2.515 1.00 40.64 C ATOM 516 H ILE A 74 99.013 151.859 -1.082 1.00 0.00 H ATOM 517 N VAL A 75 99.507 154.703 -2.821 1.00 47.68 N ATOM 518 CA VAL A 75 100.030 155.556 -3.944 1.00 52.28 C ATOM 519 C VAL A 75 99.301 155.428 -5.290 1.00 52.44 C ATOM 520 O VAL A 75 99.153 156.431 -6.040 1.00 46.98 O ATOM 521 CB VAL A 75 101.556 155.337 -4.189 1.00 52.76 C ATOM 522 CG1 VAL A 75 102.071 156.176 -5.375 1.00 55.07 C ATOM 523 CG2 VAL A 75 102.324 155.671 -2.932 1.00 50.80 C ATOM 524 H VAL A 75 100.169 154.080 -2.315 1.00 0.00 H ATOM 525 N ALA A 76 98.873 154.227 -5.607 1.00 50.93 N ATOM 526 CA ALA A 76 98.111 153.908 -6.789 1.00 52.31 C ATOM 527 C ALA A 76 96.615 154.157 -6.610 1.00 54.52 C ATOM 528 O ALA A 76 95.891 153.925 -7.531 1.00 52.03 O ATOM 529 CB ALA A 76 98.365 152.471 -7.202 1.00 55.84 C ATOM 530 H ALA A 76 99.101 153.448 -4.957 1.00 0.00 H ATOM 531 N ASN A 77 96.174 154.658 -5.443 1.00 52.27 N ATOM 532 CA ASN A 77 94.757 154.866 -5.121 1.00 52.30 C ATOM 533 C ASN A 77 93.880 153.622 -5.302 1.00 51.74 C ATOM 534 O ASN A 77 92.772 153.702 -5.846 1.00 51.28 O ATOM 535 CB ASN A 77 94.206 156.049 -5.970 1.00 61.20 C ATOM 536 CG ASN A 77 93.380 157.039 -5.160 1.00 63.49 C ATOM 537 OD1 ASN A 77 93.250 156.925 -3.946 1.00 68.88 O ATOM 538 ND2 ASN A 77 92.791 158.015 -5.854 1.00 73.38 N ATOM 539 HD22 ASN A 77 92.927 158.076 -6.883 1.00 0.00 H ATOM 540 HD21 ASN A 77 92.196 158.714 -5.366 1.00 0.00 H ATOM 541 H ASN A 77 96.880 154.914 -4.724 1.00 0.00 H ATOM 542 N GLU A 78 94.378 152.449 -4.884 1.00 49.37 N ATOM 543 CA GLU A 78 93.632 151.227 -5.015 1.00 49.14 C ATOM 544 C GLU A 78 92.706 150.932 -3.833 1.00 48.64 C ATOM 545 O GLU A 78 91.940 149.982 -3.875 1.00 55.26 O ATOM 546 CB GLU A 78 94.583 150.016 -5.246 1.00 50.35 C ATOM 547 CG GLU A 78 95.465 150.137 -6.486 1.00 55.40 C ATOM 548 CD GLU A 78 96.178 148.842 -6.902 1.00 58.66 C ATOM 549 OE1 GLU A 78 95.875 147.776 -6.301 1.00 53.38 O ATOM 550 OE2 GLU A 78 96.993 148.919 -7.892 1.00 62.12 O ATOM 551 H GLU A 78 95.325 152.423 -4.455 1.00 0.00 H ATOM 552 N TYR A 79 92.837 151.651 -2.730 1.00 45.79 N ATOM 553 CA TYR A 79 91.955 151.404 -1.587 1.00 45.07 C ATOM 554 C TYR A 79 90.755 152.308 -1.627 1.00 46.43 C ATOM 555 O TYR A 79 90.918 153.506 -1.708 1.00 45.50 O ATOM 556 CB TYR A 79 92.698 151.628 -0.246 1.00 43.53 C ATOM 557 CG TYR A 79 93.782 150.585 0.098 1.00 40.86 C ATOM 558 CD1 TYR A 79 93.443 149.274 0.403 1.00 41.76 C ATOM 559 CD2 TYR A 79 95.112 150.940 0.190 1.00 39.51 C ATOM 560 CE1 TYR A 79 94.424 148.392 0.732 1.00 37.60 C ATOM 561 CE2 TYR A 79 96.092 150.052 0.543 1.00 41.54 C ATOM 562 CZ TYR A 79 95.744 148.764 0.805 1.00 37.45 C ATOM 563 OH TYR A 79 96.756 147.894 1.175 1.00 36.65 O ATOM 564 HH TYR A 79 96.374 146.995 1.336 1.00 0.00 H ATOM 565 H TYR A 79 93.566 152.391 -2.675 1.00 0.00 H ATOM 566 N LYS A 80 89.572 151.706 -1.531 1.00 50.86 N ATOM 567 CA LYS A 80 88.290 152.371 -1.492 1.00 55.31 C ATOM 568 C LYS A 80 87.895 152.670 -0.079 1.00 53.86 C ATOM 569 O LYS A 80 87.147 153.589 0.165 1.00 49.31 O ATOM 570 CB LYS A 80 87.201 151.480 -2.161 1.00 64.38 C ATOM 571 CG LYS A 80 87.464 151.292 -3.658 1.00 70.80 C ATOM 572 CD LYS A 80 86.392 150.572 -4.484 1.00 77.71 C ATOM 573 CE LYS A 80 86.464 149.053 -4.395 1.00 80.89 C ATOM 574 NZ LYS A 80 87.843 148.494 -4.474 1.00 80.00 N ATOM 575 HZ1 LYS A 80 88.274 148.765 -5.381 1.00 0.00 H ATOM 576 HZ2 LYS A 80 88.414 148.871 -3.691 1.00 0.00 H ATOM 577 HZ3 LYS A 80 87.800 147.457 -4.406 1.00 0.00 H ATOM 578 H LYS A 80 89.570 150.667 -1.480 1.00 0.00 H ATOM 579 N SER A 81 88.401 151.913 0.893 1.00 48.16 N ATOM 580 CA SER A 81 87.935 152.086 2.256 1.00 44.64 C ATOM 581 C SER A 81 88.997 151.706 3.309 1.00 44.57 C ATOM 582 O SER A 81 89.993 150.961 2.983 1.00 39.23 O ATOM 583 CB SER A 81 86.711 151.188 2.442 1.00 47.28 C ATOM 584 OG SER A 81 87.133 149.813 2.525 1.00 45.53 O ATOM 585 HG SER A 81 87.744 149.703 3.296 1.00 0.00 H ATOM 586 H SER A 81 89.127 151.201 0.676 1.00 0.00 H ATOM 587 N VAL A 82 88.775 152.160 4.552 1.00 41.23 N ATOM 588 CA VAL A 82 89.681 151.769 5.650 1.00 42.31 C ATOM 589 C VAL A 82 89.498 150.261 5.801 1.00 42.82 C ATOM 590 O VAL A 82 90.480 149.543 6.031 1.00 39.79 O ATOM 591 CB VAL A 82 89.476 152.534 6.959 1.00 44.08 C ATOM 592 CG1 VAL A 82 90.359 151.984 8.066 1.00 43.40 C ATOM 593 CG2 VAL A 82 89.825 154.031 6.773 1.00 46.60 C ATOM 594 H VAL A 82 87.966 152.786 4.741 1.00 0.00 H ATOM 595 N THR A 83 88.266 149.773 5.672 1.00 42.10 N ATOM 596 CA THR A 83 88.037 148.300 5.776 1.00 43.97 C ATOM 597 C THR A 83 88.974 147.495 4.892 1.00 39.85 C ATOM 598 O THR A 83 89.499 146.473 5.326 1.00 35.94 O ATOM 599 CB THR A 83 86.557 147.946 5.536 1.00 48.19 C ATOM 600 OG1 THR A 83 85.808 148.386 6.667 1.00 48.29 O ATOM 601 CG2 THR A 83 86.357 146.420 5.362 1.00 51.09 C ATOM 602 HG1 THR A 83 84.852 148.168 6.533 1.00 0.00 H ATOM 603 H THR A 83 87.466 150.415 5.499 1.00 0.00 H ATOM 604 N GLU A 84 89.175 147.920 3.652 1.00 39.75 N ATOM 605 CA GLU A 84 90.056 147.245 2.739 1.00 40.00 C ATOM 606 C GLU A 84 91.526 147.278 3.148 1.00 36.60 C ATOM 607 O GLU A 84 92.263 146.256 3.016 1.00 34.21 O ATOM 608 CB GLU A 84 89.893 147.847 1.336 1.00 42.39 C ATOM 609 CG GLU A 84 88.584 147.469 0.674 1.00 44.89 C ATOM 610 CD GLU A 84 88.473 148.073 -0.726 1.00 49.23 C ATOM 611 OE1 GLU A 84 89.376 148.844 -1.114 1.00 49.86 O ATOM 612 OE2 GLU A 84 87.475 147.783 -1.405 1.00 55.60 O ATOM 613 H GLU A 84 88.677 148.773 3.328 1.00 0.00 H ATOM 614 N PHE A 85 91.947 148.432 3.652 1.00 35.34 N ATOM 615 CA PHE A 85 93.310 148.596 4.176 1.00 33.13 C ATOM 616 C PHE A 85 93.544 147.692 5.389 1.00 30.98 C ATOM 617 O PHE A 85 94.549 146.954 5.442 1.00 31.04 O ATOM 618 CB PHE A 85 93.482 150.041 4.550 1.00 33.02 C ATOM 619 CG PHE A 85 94.769 150.369 5.182 1.00 33.22 C ATOM 620 CD1 PHE A 85 95.879 150.654 4.422 1.00 33.72 C ATOM 621 CD2 PHE A 85 94.855 150.466 6.585 1.00 35.74 C ATOM 622 CE1 PHE A 85 97.046 151.066 5.018 1.00 37.22 C ATOM 623 CE2 PHE A 85 96.041 150.781 7.175 1.00 37.85 C ATOM 624 CZ PHE A 85 97.166 151.073 6.411 1.00 38.75 C ATOM 625 H PHE A 85 91.295 149.242 3.677 1.00 0.00 H ATOM 626 N LYS A 86 92.564 147.674 6.257 1.00 31.67 N ATOM 627 CA LYS A 86 92.633 146.777 7.450 1.00 35.99 C ATOM 628 C LYS A 86 92.668 145.304 7.114 1.00 33.44 C ATOM 629 O LYS A 86 93.355 144.551 7.791 1.00 31.71 O ATOM 630 CB LYS A 86 91.461 147.045 8.403 1.00 38.29 C ATOM 631 CG LYS A 86 91.476 148.390 9.064 1.00 39.35 C ATOM 632 CD LYS A 86 90.218 148.588 9.869 1.00 41.62 C ATOM 633 CE LYS A 86 89.851 147.530 10.925 1.00 43.60 C ATOM 634 NZ LYS A 86 88.546 148.029 11.424 1.00 47.06 N ATOM 635 HZ1 LYS A 86 88.671 148.980 11.826 1.00 0.00 H ATOM 636 HZ2 LYS A 86 87.868 148.071 10.636 1.00 0.00 H ATOM 637 HZ3 LYS A 86 88.188 147.385 12.158 1.00 0.00 H ATOM 638 H LYS A 86 91.735 148.286 6.116 1.00 0.00 H ATOM 639 N ALA A 87 91.942 144.891 6.075 1.00 33.76 N ATOM 640 CA ALA A 87 91.975 143.541 5.561 1.00 34.90 C ATOM 641 C ALA A 87 93.327 143.146 5.078 1.00 33.57 C ATOM 642 O ALA A 87 93.774 142.034 5.322 1.00 32.27 O ATOM 643 CB ALA A 87 90.953 143.399 4.408 1.00 41.55 C ATOM 644 H ALA A 87 91.317 145.579 5.608 1.00 0.00 H ATOM 645 N ASP A 88 93.999 144.025 4.350 1.00 33.99 N ATOM 646 CA ASP A 88 95.379 143.770 3.980 1.00 31.53 C ATOM 647 C ASP A 88 96.323 143.672 5.169 1.00 30.58 C ATOM 648 O ASP A 88 97.182 142.795 5.223 1.00 28.46 O ATOM 649 CB ASP A 88 95.877 144.862 2.978 1.00 33.15 C ATOM 650 CG ASP A 88 95.426 144.597 1.545 1.00 34.04 C ATOM 651 OD1 ASP A 88 94.724 143.597 1.282 1.00 31.52 O ATOM 652 OD2 ASP A 88 95.808 145.438 0.686 1.00 37.11 O ATOM 653 H ASP A 88 93.535 144.903 4.042 1.00 0.00 H ATOM 654 N PHE A 89 96.206 144.587 6.124 1.00 31.95 N ATOM 655 CA PHE A 89 97.004 144.498 7.311 1.00 31.38 C ATOM 656 C PHE A 89 96.741 143.174 8.086 1.00 28.36 C ATOM 657 O PHE A 89 97.668 142.486 8.530 1.00 30.26 O ATOM 658 CB PHE A 89 96.701 145.716 8.203 1.00 30.17 C ATOM 659 CG PHE A 89 97.406 145.677 9.528 1.00 31.85 C ATOM 660 CD1 PHE A 89 98.784 145.718 9.592 1.00 33.09 C ATOM 661 CD2 PHE A 89 96.683 145.558 10.719 1.00 29.70 C ATOM 662 CE1 PHE A 89 99.463 145.675 10.839 1.00 35.36 C ATOM 663 CE2 PHE A 89 97.331 145.492 11.954 1.00 32.15 C ATOM 664 CZ PHE A 89 98.733 145.557 12.022 1.00 34.65 C ATOM 665 H PHE A 89 95.533 145.371 6.010 1.00 0.00 H ATOM 666 N LYS A 90 95.494 142.829 8.264 1.00 28.49 N ATOM 667 CA LYS A 90 95.164 141.521 8.891 1.00 28.72 C ATOM 668 C LYS A 90 95.760 140.327 8.133 1.00 29.71 C ATOM 669 O LYS A 90 96.304 139.443 8.749 1.00 27.11 O ATOM 670 CB LYS A 90 93.703 141.386 8.984 1.00 30.74 C ATOM 671 CG LYS A 90 93.256 140.129 9.675 1.00 32.65 C ATOM 672 CD LYS A 90 91.737 140.009 9.581 1.00 37.25 C ATOM 673 CE LYS A 90 91.143 138.785 10.334 1.00 36.91 C ATOM 674 NZ LYS A 90 91.610 137.494 9.852 1.00 36.93 N ATOM 675 HZ1 LYS A 90 91.354 137.386 8.850 1.00 0.00 H ATOM 676 HZ2 LYS A 90 92.644 137.440 9.955 1.00 0.00 H ATOM 677 HZ3 LYS A 90 91.165 136.736 10.408 1.00 0.00 H ATOM 678 H LYS A 90 94.731 143.470 7.967 1.00 0.00 H ATOM 679 N LEU A 91 95.679 140.344 6.815 1.00 28.84 N ATOM 680 CA LEU A 91 96.311 139.346 6.005 1.00 27.37 C ATOM 681 C LEU A 91 97.799 139.198 6.257 1.00 27.88 C ATOM 682 O LEU A 91 98.298 138.059 6.425 1.00 27.90 O ATOM 683 CB LEU A 91 96.099 139.643 4.519 1.00 28.54 C ATOM 684 CG LEU A 91 96.769 138.659 3.527 1.00 30.62 C ATOM 685 CD1 LEU A 91 96.332 137.219 3.643 1.00 31.25 C ATOM 686 CD2 LEU A 91 96.420 139.184 2.077 1.00 33.99 C ATOM 687 H LEU A 91 95.141 141.104 6.352 1.00 0.00 H ATOM 688 N MET A 92 98.524 140.319 6.250 1.00 27.45 N ATOM 689 CA MET A 92 99.911 140.323 6.520 1.00 29.33 C ATOM 690 C MET A 92 100.289 139.648 7.871 1.00 28.70 C ATOM 691 O MET A 92 101.239 138.819 7.972 1.00 31.22 O ATOM 692 CB MET A 92 100.401 141.761 6.449 1.00 32.55 C ATOM 693 CG MET A 92 101.847 141.872 6.701 1.00 35.28 C ATOM 694 SD MET A 92 102.389 143.617 6.835 1.00 38.05 S ATOM 695 CE MET A 92 102.176 143.734 8.607 1.00 36.54 C ATOM 696 H MET A 92 98.051 141.221 6.038 1.00 0.00 H ATOM 697 N CYS A 93 99.583 140.096 8.914 1.00 28.34 N ATOM 698 CA CYS A 93 99.757 139.532 10.257 1.00 28.89 C ATOM 699 C CYS A 93 99.400 138.034 10.329 1.00 28.97 C ATOM 700 O CYS A 93 100.173 137.222 10.910 1.00 28.26 O ATOM 701 CB CYS A 93 98.989 140.339 11.264 1.00 30.32 C ATOM 702 SG CYS A 93 99.582 142.044 11.447 1.00 30.10 S ATOM 703 H CYS A 93 98.895 140.862 8.770 1.00 0.00 H ATOM 704 N ASP A 94 98.248 137.668 9.786 1.00 27.92 N ATOM 705 CA ASP A 94 97.810 136.287 9.723 1.00 28.90 C ATOM 706 C ASP A 94 98.861 135.383 8.970 1.00 30.07 C ATOM 707 O ASP A 94 99.150 134.267 9.445 1.00 29.61 O ATOM 708 CB ASP A 94 96.458 136.212 9.044 1.00 29.98 C ATOM 709 CG ASP A 94 95.353 136.656 9.863 1.00 34.92 C ATOM 710 OD1 ASP A 94 95.487 136.925 11.114 1.00 31.67 O ATOM 711 OD2 ASP A 94 94.280 136.681 9.218 1.00 32.89 O ATOM 712 H ASP A 94 97.631 138.404 9.387 1.00 0.00 H ATOM 713 N ASN A 95 99.426 135.880 7.843 1.00 27.66 N ATOM 714 CA ASN A 95 100.455 135.124 7.191 1.00 26.88 C ATOM 715 C ASN A 95 101.643 134.817 8.089 1.00 28.52 C ATOM 716 O ASN A 95 102.207 133.700 8.044 1.00 29.03 O ATOM 717 CB ASN A 95 100.962 135.820 5.927 1.00 26.53 C ATOM 718 CG ASN A 95 99.903 135.870 4.801 1.00 27.67 C ATOM 719 OD1 ASN A 95 98.880 135.120 4.776 1.00 29.60 O ATOM 720 ND2 ASN A 95 100.110 136.795 3.907 1.00 29.89 N ATOM 721 HD22 ASN A 95 100.961 137.390 3.962 1.00 0.00 H ATOM 722 HD21 ASN A 95 99.424 136.938 3.139 1.00 0.00 H ATOM 723 H ASN A 95 99.118 136.795 7.457 1.00 0.00 H ATOM 724 N ALA A 96 102.089 135.811 8.835 1.00 29.26 N ATOM 725 CA ALA A 96 103.253 135.655 9.637 1.00 29.77 C ATOM 726 C ALA A 96 102.965 134.662 10.791 1.00 31.32 C ATOM 727 O ALA A 96 103.847 133.884 11.187 1.00 32.88 O ATOM 728 CB ALA A 96 103.718 136.982 10.139 1.00 30.96 C ATOM 729 H ALA A 96 101.583 136.719 8.836 1.00 0.00 H ATOM 730 N MET A 97 101.716 134.646 11.274 1.00 30.31 N ATOM 731 CA MET A 97 101.330 133.783 12.358 1.00 30.51 C ATOM 732 C MET A 97 101.036 132.350 11.875 1.00 33.14 C ATOM 733 O MET A 97 101.022 131.396 12.667 1.00 32.65 O ATOM 734 CB MET A 97 100.174 134.396 13.162 1.00 29.55 C ATOM 735 CG MET A 97 100.636 135.600 13.890 1.00 30.76 C ATOM 736 SD MET A 97 99.283 136.441 14.796 1.00 34.95 S ATOM 737 CE MET A 97 98.777 135.204 15.907 1.00 37.75 C ATOM 738 H MET A 97 101.004 135.276 10.853 1.00 0.00 H ATOM 739 N THR A 98 100.897 132.218 10.588 1.00 30.74 N ATOM 740 CA THR A 98 100.670 130.918 9.892 1.00 31.93 C ATOM 741 C THR A 98 101.998 130.283 9.558 1.00 34.11 C ATOM 742 O THR A 98 102.251 129.095 9.917 1.00 33.61 O ATOM 743 CB THR A 98 99.823 131.095 8.631 1.00 31.60 C ATOM 744 OG1 THR A 98 98.524 131.395 9.051 1.00 31.87 O ATOM 745 CG2 THR A 98 99.636 129.776 7.857 1.00 35.14 C ATOM 746 HG1 THR A 98 98.535 132.228 9.586 1.00 0.00 H ATOM 747 H THR A 98 100.948 133.077 10.005 1.00 0.00 H ATOM 748 N TYR A 99 102.878 131.049 8.917 1.00 31.66 N ATOM 749 CA TYR A 99 104.131 130.502 8.459 1.00 34.69 C ATOM 750 C TYR A 99 105.146 130.250 9.590 1.00 37.82 C ATOM 751 O TYR A 99 105.851 129.255 9.579 1.00 32.85 O ATOM 752 CB TYR A 99 104.751 131.397 7.351 1.00 35.65 C ATOM 753 CG TYR A 99 106.110 130.913 6.904 1.00 34.46 C ATOM 754 CD1 TYR A 99 106.233 129.899 5.970 1.00 39.58 C ATOM 755 CD2 TYR A 99 107.262 131.495 7.380 1.00 36.76 C ATOM 756 CE1 TYR A 99 107.486 129.414 5.559 1.00 39.48 C ATOM 757 CE2 TYR A 99 108.510 131.017 7.001 1.00 38.18 C ATOM 758 CZ TYR A 99 108.610 129.978 6.069 1.00 39.38 C ATOM 759 OH TYR A 99 109.840 129.554 5.650 1.00 38.68 O ATOM 760 HH TYR A 99 109.729 128.819 4.996 1.00 0.00 H ATOM 761 H TYR A 99 102.660 132.051 8.745 1.00 0.00 H ATOM 762 N ASN A 100 105.220 131.151 10.575 1.00 36.17 N ATOM 763 CA ASN A 100 106.275 131.119 11.559 1.00 34.71 C ATOM 764 C ASN A 100 105.812 130.449 12.764 1.00 37.90 C ATOM 765 O ASN A 100 104.644 130.535 13.140 1.00 37.62 O ATOM 766 CB ASN A 100 106.781 132.515 11.907 1.00 38.95 C ATOM 767 CG ASN A 100 107.349 133.236 10.722 1.00 36.32 C ATOM 768 OD1 ASN A 100 108.483 132.957 10.272 1.00 40.26 O ATOM 769 ND2 ASN A 100 106.583 134.237 10.192 1.00 33.09 N ATOM 770 HD22 ASN A 100 105.645 134.441 10.592 1.00 0.00 H ATOM 771 HD21 ASN A 100 106.939 134.794 9.389 1.00 0.00 H ATOM 772 H ASN A 100 104.497 131.896 10.634 1.00 0.00 H ATOM 773 N ARG A 101 106.743 129.725 13.376 1.00 36.17 N ATOM 774 CA ARG A 101 106.449 129.062 14.602 1.00 36.06 C ATOM 775 C ARG A 101 106.231 130.119 15.724 1.00 35.50 C ATOM 776 O ARG A 101 106.789 131.222 15.651 1.00 34.85 O ATOM 777 CB ARG A 101 107.618 128.116 14.945 1.00 41.46 C ATOM 778 CG ARG A 101 107.709 126.976 13.924 1.00 41.83 C ATOM 779 CD ARG A 101 108.893 126.029 14.089 1.00 46.60 C ATOM 780 NE ARG A 101 108.927 125.104 12.936 1.00 45.20 N ATOM 781 CZ ARG A 101 109.627 123.976 12.871 1.00 44.21 C ATOM 782 NH1 ARG A 101 110.293 123.539 13.919 1.00 46.60 N ATOM 783 NH2 ARG A 101 109.568 123.221 11.790 1.00 43.29 N ATOM 784 HE ARG A 101 108.355 125.357 12.105 1.00 0.00 H ATOM 785 HH12 ARG A 101 110.838 122.655 13.858 1.00 0.00 H ATOM 786 HH11 ARG A 101 110.275 124.078 14.808 1.00 0.00 H ATOM 787 HH22 ARG A 101 110.117 122.339 11.741 1.00 0.00 H ATOM 788 HH21 ARG A 101 108.973 123.508 10.987 1.00 0.00 H ATOM 789 H ARG A 101 107.692 129.642 12.958 1.00 0.00 H ATOM 790 N PRO A 102 105.449 129.724 16.770 1.00 37.02 N ATOM 791 CA PRO A 102 105.077 130.730 17.802 1.00 36.20 C ATOM 792 C PRO A 102 106.239 131.314 18.621 1.00 39.68 C ATOM 793 O PRO A 102 106.122 132.422 19.133 1.00 43.33 O ATOM 794 CB PRO A 102 104.020 130.037 18.641 1.00 40.08 C ATOM 795 CG PRO A 102 103.545 128.835 17.858 1.00 42.66 C ATOM 796 CD PRO A 102 104.637 128.491 16.873 1.00 39.02 C ATOM 797 N ASP A 103 107.377 130.626 18.709 1.00 38.66 N ATOM 798 CA ASP A 103 108.496 131.163 19.460 1.00 44.01 C ATOM 799 C ASP A 103 109.327 132.126 18.662 1.00 47.97 C ATOM 800 O ASP A 103 110.317 132.604 19.171 1.00 51.36 O ATOM 801 CB ASP A 103 109.401 130.042 20.063 1.00 46.90 C ATOM 802 CG ASP A 103 109.951 129.104 19.022 1.00 54.85 C ATOM 803 OD1 ASP A 103 109.837 129.349 17.797 1.00 56.67 O ATOM 804 OD2 ASP A 103 110.542 128.087 19.456 1.00 67.40 O ATOM 805 H ASP A 103 107.463 129.703 18.238 1.00 0.00 H ATOM 806 N THR A 104 108.919 132.507 17.446 1.00 46.77 N ATOM 807 CA THR A 104 109.778 133.341 16.634 1.00 44.31 C ATOM 808 C THR A 104 109.408 134.799 16.801 1.00 41.71 C ATOM 809 O THR A 104 108.316 135.136 17.195 1.00 40.02 O ATOM 810 CB THR A 104 109.689 133.009 15.128 1.00 47.11 C ATOM 811 OG1 THR A 104 108.360 133.286 14.666 1.00 41.69 O ATOM 812 CG2 THR A 104 110.087 131.560 14.862 1.00 46.29 C ATOM 813 HG1 THR A 104 107.714 132.730 15.170 1.00 0.00 H ATOM 814 H THR A 104 107.991 132.206 17.087 1.00 0.00 H ATOM 815 N VAL A 105 110.360 135.656 16.472 1.00 45.83 N ATOM 816 CA VAL A 105 110.227 137.074 16.560 1.00 46.24 C ATOM 817 C VAL A 105 109.089 137.498 15.595 1.00 44.76 C ATOM 818 O VAL A 105 108.249 138.374 15.920 1.00 40.76 O ATOM 819 CB VAL A 105 111.650 137.674 16.281 1.00 50.97 C ATOM 820 CG1 VAL A 105 111.659 138.712 15.236 1.00 52.53 C ATOM 821 CG2 VAL A 105 112.302 138.197 17.560 1.00 59.42 C ATOM 822 H VAL A 105 111.263 135.272 16.127 1.00 0.00 H ATOM 823 N TYR A 106 109.031 136.841 14.439 1.00 40.25 N ATOM 824 CA TYR A 106 108.025 137.212 13.413 1.00 39.98 C ATOM 825 C TYR A 106 106.597 136.955 13.906 1.00 36.70 C ATOM 826 O TYR A 106 105.707 137.790 13.741 1.00 35.66 O ATOM 827 CB TYR A 106 108.259 136.461 12.124 1.00 41.51 C ATOM 828 CG TYR A 106 109.644 136.655 11.594 1.00 46.00 C ATOM 829 CD1 TYR A 106 110.042 137.889 11.093 1.00 48.94 C ATOM 830 CD2 TYR A 106 110.562 135.618 11.590 1.00 50.04 C ATOM 831 CE1 TYR A 106 111.312 138.083 10.598 1.00 54.53 C ATOM 832 CE2 TYR A 106 111.856 135.796 11.119 1.00 52.10 C ATOM 833 CZ TYR A 106 112.223 137.029 10.625 1.00 57.18 C ATOM 834 OH TYR A 106 113.471 137.242 10.131 1.00 59.82 O ATOM 835 HH TYR A 106 113.548 138.180 9.825 1.00 0.00 H ATOM 836 H TYR A 106 109.695 136.062 14.253 1.00 0.00 H ATOM 837 N TYR A 107 106.385 135.765 14.483 1.00 32.10 N ATOM 838 CA TYR A 107 105.092 135.423 15.002 1.00 32.34 C ATOM 839 C TYR A 107 104.718 136.416 16.106 1.00 34.47 C ATOM 840 O TYR A 107 103.635 136.949 16.101 1.00 31.71 O ATOM 841 CB TYR A 107 105.086 134.017 15.512 1.00 30.50 C ATOM 842 CG TYR A 107 103.741 133.550 16.061 1.00 30.42 C ATOM 843 CD1 TYR A 107 103.315 133.982 17.292 1.00 31.77 C ATOM 844 CD2 TYR A 107 102.971 132.639 15.374 1.00 30.55 C ATOM 845 CE1 TYR A 107 102.106 133.550 17.827 1.00 32.63 C ATOM 846 CE2 TYR A 107 101.768 132.200 15.859 1.00 33.38 C ATOM 847 CZ TYR A 107 101.337 132.702 17.084 1.00 32.40 C ATOM 848 OH TYR A 107 100.217 132.334 17.640 1.00 34.75 O ATOM 849 HH TYR A 107 100.105 132.810 18.501 1.00 0.00 H ATOM 850 H TYR A 107 107.166 135.082 14.556 1.00 0.00 H ATOM 851 N LYS A 108 105.620 136.634 17.052 1.00 35.43 N ATOM 852 CA LYS A 108 105.281 137.458 18.220 1.00 36.98 C ATOM 853 C LYS A 108 104.968 138.904 17.850 1.00 35.57 C ATOM 854 O LYS A 108 104.017 139.511 18.383 1.00 35.29 O ATOM 855 CB LYS A 108 106.411 137.399 19.238 1.00 40.67 C ATOM 856 CG LYS A 108 106.556 136.053 19.943 1.00 43.90 C ATOM 857 CD LYS A 108 107.705 136.071 20.968 1.00 46.67 C ATOM 858 CE LYS A 108 107.828 134.721 21.636 1.00 51.87 C ATOM 859 NZ LYS A 108 108.834 134.747 22.717 1.00 58.57 N ATOM 860 HZ1 LYS A 108 109.760 135.007 22.321 1.00 0.00 H ATOM 861 HZ2 LYS A 108 108.553 135.447 23.433 1.00 0.00 H ATOM 862 HZ3 LYS A 108 108.894 133.806 23.155 1.00 0.00 H ATOM 863 H LYS A 108 106.571 136.221 16.967 1.00 0.00 H ATOM 864 N LEU A 109 105.786 139.469 16.979 1.00 33.12 N ATOM 865 CA LEU A 109 105.560 140.836 16.540 1.00 37.98 C ATOM 866 C LEU A 109 104.267 140.962 15.713 1.00 34.73 C ATOM 867 O LEU A 109 103.508 141.914 15.885 1.00 34.10 O ATOM 868 CB LEU A 109 106.747 141.394 15.771 1.00 38.48 C ATOM 869 CG LEU A 109 106.530 142.894 15.346 1.00 41.81 C ATOM 870 CD1 LEU A 109 106.432 143.795 16.566 1.00 41.70 C ATOM 871 CD2 LEU A 109 107.671 143.420 14.447 1.00 44.41 C ATOM 872 H LEU A 109 106.595 138.933 16.606 1.00 0.00 H ATOM 873 N ALA A 110 103.996 139.990 14.821 1.00 32.89 N ATOM 874 CA ALA A 110 102.748 140.007 14.098 1.00 30.50 C ATOM 875 C ALA A 110 101.529 140.021 15.027 1.00 33.29 C ATOM 876 O ALA A 110 100.515 140.725 14.788 1.00 31.46 O ATOM 877 CB ALA A 110 102.644 138.839 13.092 1.00 29.75 C ATOM 878 H ALA A 110 104.685 139.229 14.654 1.00 0.00 H ATOM 879 N LYS A 111 101.619 139.236 16.083 1.00 29.42 N ATOM 880 CA LYS A 111 100.486 139.090 16.986 1.00 32.88 C ATOM 881 C LYS A 111 100.297 140.398 17.736 1.00 30.66 C ATOM 882 O LYS A 111 99.193 140.920 17.854 1.00 35.15 O ATOM 883 CB LYS A 111 100.758 137.972 17.989 1.00 35.11 C ATOM 884 CG LYS A 111 99.595 137.728 18.900 1.00 35.58 C ATOM 885 CD LYS A 111 99.954 136.523 19.757 1.00 42.50 C ATOM 886 CE LYS A 111 98.756 136.136 20.576 1.00 47.67 C ATOM 887 NZ LYS A 111 99.243 135.381 21.759 1.00 49.07 N ATOM 888 HZ1 LYS A 111 99.754 134.533 21.441 1.00 0.00 H ATOM 889 HZ2 LYS A 111 99.882 135.984 22.315 1.00 0.00 H ATOM 890 HZ3 LYS A 111 98.432 135.099 22.347 1.00 0.00 H ATOM 891 H LYS A 111 102.502 138.720 16.271 1.00 0.00 H ATOM 892 N LYS A 112 101.386 140.982 18.164 1.00 33.64 N ATOM 893 CA LYS A 112 101.282 142.229 18.915 1.00 38.25 C ATOM 894 C LYS A 112 100.736 143.355 18.047 1.00 37.66 C ATOM 895 O LYS A 112 99.802 144.097 18.428 1.00 33.76 O ATOM 896 CB LYS A 112 102.652 142.608 19.403 1.00 42.47 C ATOM 897 CG LYS A 112 102.675 143.937 20.121 1.00 46.96 C ATOM 898 CD LYS A 112 104.092 144.282 20.487 1.00 56.07 C ATOM 899 CE LYS A 112 104.127 145.430 21.474 1.00 59.10 C ATOM 900 NZ LYS A 112 105.461 145.422 22.130 1.00 66.43 N ATOM 901 HZ1 LYS A 112 105.598 144.516 22.623 1.00 0.00 H ATOM 902 HZ2 LYS A 112 106.201 145.541 21.409 1.00 0.00 H ATOM 903 HZ3 LYS A 112 105.514 146.202 22.815 1.00 0.00 H ATOM 904 H LYS A 112 102.318 140.562 17.971 1.00 0.00 H ATOM 905 N ILE A 113 101.366 143.527 16.895 1.00 36.04 N ATOM 906 CA ILE A 113 100.868 144.558 15.963 1.00 36.73 C ATOM 907 C ILE A 113 99.456 144.366 15.412 1.00 36.68 C ATOM 908 O ILE A 113 98.755 145.366 15.180 1.00 34.55 O ATOM 909 CB ILE A 113 101.883 144.982 14.883 1.00 39.57 C ATOM 910 CG1 ILE A 113 101.835 144.092 13.678 1.00 40.00 C ATOM 911 CG2 ILE A 113 103.291 145.126 15.415 1.00 43.73 C ATOM 912 CD1 ILE A 113 102.828 144.495 12.626 1.00 42.68 C ATOM 913 H ILE A 113 102.195 142.948 16.652 1.00 0.00 H ATOM 914 N LEU A 114 99.030 143.139 15.113 1.00 32.75 N ATOM 915 CA LEU A 114 97.632 142.913 14.746 1.00 31.88 C ATOM 916 C LEU A 114 96.636 143.519 15.741 1.00 34.47 C ATOM 917 O LEU A 114 95.712 144.265 15.388 1.00 30.68 O ATOM 918 CB LEU A 114 97.363 141.413 14.622 1.00 33.35 C ATOM 919 CG LEU A 114 96.003 140.967 14.217 1.00 34.05 C ATOM 920 CD1 LEU A 114 95.676 141.559 12.902 1.00 31.21 C ATOM 921 CD2 LEU A 114 95.838 139.429 14.184 1.00 36.33 C ATOM 922 H LEU A 114 99.694 142.339 15.141 1.00 0.00 H ATOM 923 N HIS A 115 96.843 143.233 17.037 1.00 34.43 N ATOM 924 CA HIS A 115 95.902 143.619 18.040 1.00 31.89 C ATOM 925 C HIS A 115 96.030 145.124 18.225 1.00 35.81 C ATOM 926 O HIS A 115 95.023 145.810 18.300 1.00 37.15 O ATOM 927 CB HIS A 115 96.092 142.747 19.301 1.00 33.21 C ATOM 928 CG HIS A 115 95.623 141.331 19.082 1.00 35.23 C ATOM 929 ND1 HIS A 115 94.293 140.974 19.159 1.00 37.41 N ATOM 930 CD2 HIS A 115 96.280 140.219 18.639 1.00 32.76 C ATOM 931 CE1 HIS A 115 94.163 139.695 18.855 1.00 38.38 C ATOM 932 NE2 HIS A 115 95.351 139.219 18.522 1.00 35.29 N ATOM 933 H HIS A 115 97.704 142.721 17.315 1.00 0.00 H ATOM 934 N ALA A 116 97.242 145.676 18.173 1.00 35.23 N ATOM 935 CA ALA A 116 97.408 147.087 18.357 1.00 40.19 C ATOM 936 C ALA A 116 96.775 147.843 17.189 1.00 39.48 C ATOM 937 O ALA A 116 96.059 148.866 17.378 1.00 38.24 O ATOM 938 CB ALA A 116 98.892 147.440 18.487 1.00 41.58 C ATOM 939 H ALA A 116 98.074 145.077 17.997 1.00 0.00 H ATOM 940 N GLY A 117 96.984 147.343 15.978 1.00 35.63 N ATOM 941 CA GLY A 117 96.473 148.044 14.758 1.00 35.41 C ATOM 942 C GLY A 117 94.989 147.950 14.671 1.00 35.75 C ATOM 943 O GLY A 117 94.323 148.925 14.256 1.00 38.01 O ATOM 944 H GLY A 117 97.510 146.452 15.875 1.00 0.00 H ATOM 945 N PHE A 118 94.412 146.845 15.140 1.00 36.00 N ATOM 946 CA PHE A 118 92.973 146.748 15.164 1.00 37.33 C ATOM 947 C PHE A 118 92.351 147.621 16.261 1.00 40.47 C ATOM 948 O PHE A 118 91.235 148.009 16.105 1.00 45.63 O ATOM 949 CB PHE A 118 92.409 145.325 15.152 1.00 40.31 C ATOM 950 CG PHE A 118 92.229 144.787 13.775 1.00 43.44 C ATOM 951 CD1 PHE A 118 93.333 144.524 12.988 1.00 42.57 C ATOM 952 CD2 PHE A 118 90.957 144.666 13.208 1.00 49.16 C ATOM 953 CE1 PHE A 118 93.185 144.087 11.660 1.00 46.18 C ATOM 954 CE2 PHE A 118 90.818 144.201 11.896 1.00 52.23 C ATOM 955 CZ PHE A 118 91.942 143.910 11.136 1.00 41.92 C ATOM 956 H PHE A 118 94.995 146.057 15.487 1.00 0.00 H ATOM 957 N LYS A 119 93.053 147.917 17.356 1.00 37.66 N ATOM 958 CA LYS A 119 92.555 148.940 18.279 1.00 40.15 C ATOM 959 C LYS A 119 92.589 150.311 17.663 1.00 40.78 C ATOM 960 O LYS A 119 91.619 151.103 17.783 1.00 45.12 O ATOM 961 CB LYS A 119 93.427 148.977 19.519 1.00 45.35 C ATOM 962 CG LYS A 119 93.328 147.677 20.233 1.00 47.44 C ATOM 963 CD LYS A 119 92.126 147.613 21.116 1.00 55.20 C ATOM 964 CE LYS A 119 92.159 146.252 21.845 1.00 60.84 C ATOM 965 NZ LYS A 119 91.315 146.360 23.059 1.00 66.72 N ATOM 966 HZ1 LYS A 119 91.692 147.107 23.676 1.00 0.00 H ATOM 967 HZ2 LYS A 119 90.341 146.596 22.782 1.00 0.00 H ATOM 968 HZ3 LYS A 119 91.323 145.452 23.567 1.00 0.00 H ATOM 969 H LYS A 119 93.948 147.425 17.553 1.00 0.00 H ATOM 970 N MET A 120 93.751 150.655 17.129 1.00 39.35 N ATOM 971 CA MET A 120 93.917 151.911 16.420 1.00 42.47 C ATOM 972 C MET A 120 92.865 152.202 15.355 1.00 45.22 C ATOM 973 O MET A 120 92.417 153.381 15.215 1.00 43.18 O ATOM 974 CB MET A 120 95.314 152.005 15.815 1.00 44.39 C ATOM 975 CG MET A 120 95.581 153.284 15.014 1.00 47.16 C ATOM 976 SD MET A 120 97.238 153.298 14.264 1.00 49.95 S ATOM 977 CE MET A 120 96.833 152.352 12.883 1.00 43.00 C ATOM 978 H MET A 120 94.563 150.011 17.220 1.00 0.00 H ATOM 979 N MET A 121 92.431 151.167 14.631 1.00 37.66 N ATOM 980 CA MET A 121 91.520 151.339 13.513 1.00 41.25 C ATOM 981 C MET A 121 90.186 150.730 13.838 1.00 39.95 C ATOM 982 O MET A 121 89.508 150.231 12.934 1.00 41.48 O ATOM 983 CB MET A 121 92.119 150.702 12.259 1.00 41.25 C ATOM 984 CG MET A 121 93.401 151.411 11.791 1.00 40.67 C ATOM 985 SD MET A 121 94.124 150.730 10.290 1.00 41.89 S ATOM 986 CE MET A 121 94.795 149.179 10.982 1.00 42.82 C ATOM 987 H MET A 121 92.755 150.209 14.875 1.00 0.00 H ATOM 988 N SER A 122 89.813 150.747 15.119 1.00 40.58 N ATOM 989 CA SER A 122 88.556 150.140 15.554 1.00 43.93 C ATOM 990 C SER A 122 87.293 150.857 15.047 1.00 50.21 C ATOM 991 O SER A 122 87.287 152.095 14.834 1.00 44.44 O ATOM 992 CB SER A 122 88.483 150.107 17.062 1.00 45.82 C ATOM 993 OG SER A 122 88.035 151.365 17.510 1.00 48.72 O ATOM 994 HG SER A 122 87.140 151.550 17.130 1.00 0.00 H ATOM 995 H SER A 122 90.429 151.201 15.823 1.00 0.00 H ATOM 996 N LYS A 123 86.226 150.076 14.883 1.00 50.96 N ATOM 997 CA LYS A 123 84.961 150.598 14.418 1.00 59.31 C ATOM 998 C LYS A 123 84.581 151.825 15.206 1.00 61.09 C ATOM 999 O LYS A 123 84.213 152.845 14.626 1.00 61.92 O ATOM 1000 CB LYS A 123 83.859 149.535 14.512 1.00 65.63 C ATOM 1001 CG LYS A 123 82.535 149.954 13.868 1.00 71.27 C ATOM 1002 CD LYS A 123 81.633 148.775 13.468 1.00 74.90 C ATOM 1003 CE LYS A 123 81.171 147.938 14.652 1.00 78.60 C ATOM 1004 NZ LYS A 123 80.542 148.799 15.692 1.00 81.93 N ATOM 1005 HZ1 LYS A 123 81.234 149.500 16.025 1.00 0.00 H ATOM 1006 HZ2 LYS A 123 79.720 149.288 15.284 1.00 0.00 H ATOM 1007 HZ3 LYS A 123 80.234 148.208 16.490 1.00 0.00 H ATOM 1008 H LYS A 123 86.306 149.061 15.096 1.00 0.00 H ATOM 1009 N GLU A 124 84.701 151.766 16.518 1.00 61.46 N ATOM 1010 CA GLU A 124 84.319 152.913 17.315 1.00 66.93 C ATOM 1011 C GLU A 124 85.250 154.117 17.050 1.00 63.36 C ATOM 1012 O GLU A 124 84.792 155.267 16.990 1.00 57.19 O ATOM 1013 CB GLU A 124 84.218 152.560 18.806 1.00 74.46 C ATOM 1014 CG GLU A 124 85.551 152.574 19.541 1.00 82.71 C ATOM 1015 CD GLU A 124 85.566 151.712 20.798 1.00 92.56 C ATOM 1016 OE1 GLU A 124 84.574 151.725 21.559 1.00 97.21 O ATOM 1017 OE2 GLU A 124 86.583 151.017 21.026 1.00100.09 O ATOM 1018 H GLU A 124 85.066 150.906 16.975 1.00 0.00 H ATOM 1019 N ARG A 125 86.546 153.885 16.871 1.00 57.52 N ATOM 1020 CA ARG A 125 87.444 155.030 16.600 1.00 59.51 C ATOM 1021 C ARG A 125 87.168 155.638 15.259 1.00 57.10 C ATOM 1022 O ARG A 125 87.159 156.874 15.119 1.00 56.06 O ATOM 1023 CB ARG A 125 88.900 154.644 16.661 1.00 61.67 C ATOM 1024 CG ARG A 125 89.375 154.420 18.087 1.00 66.97 C ATOM 1025 CD ARG A 125 90.842 154.749 18.230 1.00 73.05 C ATOM 1026 NE ARG A 125 91.371 154.271 19.499 1.00 82.24 N ATOM 1027 CZ ARG A 125 92.542 154.633 20.014 1.00 90.96 C ATOM 1028 NH1 ARG A 125 93.328 155.502 19.380 1.00 92.81 N ATOM 1029 NH2 ARG A 125 92.922 154.134 21.185 1.00 90.50 N ATOM 1030 HE ARG A 125 90.792 153.599 20.041 1.00 0.00 H ATOM 1031 HH12 ARG A 125 94.241 155.776 19.795 1.00 0.00 H ATOM 1032 HH11 ARG A 125 93.028 155.907 18.470 1.00 0.00 H ATOM 1033 HH22 ARG A 125 93.836 154.411 21.596 1.00 0.00 H ATOM 1034 HH21 ARG A 125 92.305 153.466 21.691 1.00 0.00 H ATOM 1035 H ARG A 125 86.922 152.917 16.920 1.00 0.00 H ATOM 1036 N LEU A 126 86.912 154.800 14.265 1.00 52.51 N ATOM 1037 CA LEU A 126 86.534 155.369 12.931 1.00 53.41 C ATOM 1038 C LEU A 126 85.213 156.140 12.943 1.00 53.61 C ATOM 1039 O LEU A 126 85.071 157.108 12.178 1.00 52.33 O ATOM 1040 CB LEU A 126 86.443 154.283 11.897 1.00 52.17 C ATOM 1041 CG LEU A 126 87.747 153.550 11.604 1.00 53.73 C ATOM 1042 CD1 LEU A 126 87.381 152.210 10.953 1.00 56.48 C ATOM 1043 CD2 LEU A 126 88.624 154.421 10.734 1.00 56.80 C ATOM 1044 H LEU A 126 86.972 153.772 14.407 1.00 0.00 H ATOM 1045 N LEU A 127 84.248 155.723 13.776 1.00 56.56 N ATOM 1046 CA LEU A 127 83.004 156.516 14.028 1.00 62.22 C ATOM 1047 C LEU A 127 83.301 157.880 14.606 1.00 60.52 C ATOM 1048 O LEU A 127 82.685 158.883 14.180 1.00 62.49 O ATOM 1049 CB LEU A 127 82.038 155.784 14.976 1.00 65.71 C ATOM 1050 CG LEU A 127 80.950 154.924 14.311 1.00 69.81 C ATOM 1051 CD1 LEU A 127 80.759 153.562 14.985 1.00 73.26 C ATOM 1052 CD2 LEU A 127 79.658 155.722 14.284 1.00 75.12 C ATOM 1053 H LEU A 127 84.369 154.814 14.266 1.00 0.00 H ATOM 1054 N ALA A 128 84.214 157.936 15.577 1.00 55.25 N ATOM 1055 CA ALA A 128 84.699 159.225 16.101 1.00 60.15 C ATOM 1056 C ALA A 128 85.309 160.129 15.012 1.00 60.96 C ATOM 1057 O ALA A 128 85.016 161.331 14.904 1.00 62.78 O ATOM 1058 CB ALA A 128 85.694 159.009 17.219 1.00 60.30 C ATOM 1059 H ALA A 128 84.591 157.051 15.973 1.00 0.00 H ATOM 1060 N LEU A 129 86.196 159.546 14.234 1.00 55.00 N ATOM 1061 CA LEU A 129 86.793 160.227 13.120 1.00 59.14 C ATOM 1062 C LEU A 129 85.752 160.737 12.101 1.00 61.83 C ATOM 1063 O LEU A 129 85.858 161.876 11.639 1.00 58.24 O ATOM 1064 CB LEU A 129 87.807 159.303 12.457 1.00 59.72 C ATOM 1065 CG LEU A 129 88.525 159.966 11.305 1.00 64.75 C ATOM 1066 CD1 LEU A 129 89.343 161.196 11.745 1.00 69.66 C ATOM 1067 CD2 LEU A 129 89.344 158.925 10.555 1.00 63.24 C ATOM 1068 H LEU A 129 86.473 158.563 14.432 1.00 0.00 H ATOM 1069 N LYS A 130 84.786 159.885 11.747 1.00 59.23 N ATOM 1070 CA LYS A 130 83.637 160.245 10.893 1.00 63.98 C ATOM 1071 C LYS A 130 82.847 161.447 11.397 1.00 68.90 C ATOM 1072 O LYS A 130 82.429 162.300 10.605 1.00 67.67 O ATOM 1073 CB LYS A 130 82.644 159.087 10.763 1.00 65.80 C ATOM 1074 CG LYS A 130 82.991 158.091 9.663 1.00 68.05 C ATOM 1075 CD LYS A 130 81.992 156.940 9.605 1.00 72.59 C ATOM 1076 CE LYS A 130 82.559 155.769 8.800 1.00 71.76 C ATOM 1077 NZ LYS A 130 81.505 154.834 8.325 1.00 71.63 N ATOM 1078 HZ1 LYS A 130 80.997 154.442 9.143 1.00 0.00 H ATOM 1079 HZ2 LYS A 130 80.838 155.347 7.714 1.00 0.00 H ATOM 1080 HZ3 LYS A 130 81.946 154.061 7.786 1.00 0.00 H ATOM 1081 H LYS A 130 84.847 158.907 12.095 1.00 0.00 H ATOM 1082 N ARG A 131 82.600 161.448 12.700 1.00 68.76 N ATOM 1083 CA ARG A 131 81.903 162.521 13.404 1.00 74.86 C ATOM 1084 C ARG A 131 82.640 163.807 13.163 1.00 72.98 C ATOM 1085 O ARG A 131 82.037 164.820 12.789 1.00 83.23 O ATOM 1086 CB ARG A 131 81.904 162.215 14.901 1.00 75.30 C ATOM 1087 CG ARG A 131 80.765 162.763 15.729 1.00 80.90 C ATOM 1088 CD ARG A 131 80.544 161.861 16.951 1.00 85.63 C ATOM 1089 NE ARG A 131 81.712 161.789 17.851 1.00 86.43 N ATOM 1090 CZ ARG A 131 82.215 160.682 18.417 1.00 88.03 C ATOM 1091 NH1 ARG A 131 81.715 159.463 18.173 1.00 91.17 N ATOM 1092 NH2 ARG A 131 83.279 160.786 19.217 1.00 86.14 N ATOM 1093 HE ARG A 131 82.192 162.686 18.068 1.00 0.00 H ATOM 1094 HH12 ARG A 131 82.133 158.628 18.632 1.00 0.00 H ATOM 1095 HH11 ARG A 131 80.909 159.352 17.525 1.00 0.00 H ATOM 1096 HH22 ARG A 131 83.680 159.936 19.663 1.00 0.00 H ATOM 1097 HH21 ARG A 131 83.707 161.717 19.394 1.00 0.00 H ATOM 1098 H ARG A 131 82.924 160.631 13.257 1.00 0.00 H ATOM 1099 N SER A 132 83.946 163.780 13.390 1.00 67.83 N ATOM 1100 CA SER A 132 84.770 164.987 13.332 1.00 68.93 C ATOM 1101 C SER A 132 84.876 165.538 11.890 1.00 71.16 C ATOM 1102 O SER A 132 85.118 166.740 11.700 1.00 73.21 O ATOM 1103 CB SER A 132 86.159 164.705 13.936 1.00 65.14 C ATOM 1104 OG SER A 132 86.948 163.968 13.003 1.00 62.12 O ATOM 1105 HG SER A 132 86.498 163.110 12.797 1.00 0.00 H ATOM 1106 H SER A 132 84.399 162.872 13.617 1.00 0.00 H ATOM 1107 N MET A 133 84.628 164.676 10.898 1.00 74.24 N ATOM 1108 CA MET A 133 84.770 164.996 9.469 1.00 79.78 C ATOM 1109 C MET A 133 83.493 165.555 8.891 1.00 87.00 C ATOM 1110 O MET A 133 83.376 165.710 7.682 1.00 93.08 O ATOM 1111 CB MET A 133 85.187 163.757 8.654 1.00 72.75 C ATOM 1112 H MET A 133 84.315 163.718 11.153 1.00 0.00 H ATOM 1113 N SER A 134 82.518 165.832 9.741 1.00 65.68 N ATOM 1114 CA SER A 134 81.342 166.593 9.316 1.00 66.64 C ATOM 1115 C SER A 134 81.580 168.121 9.520 1.00 55.93 C ATOM 1116 O SER A 134 82.543 168.563 10.223 1.00 54.34 O ATOM 1117 CB SER A 134 80.112 166.094 10.101 1.00 60.14 C ATOM 1118 OG SER A 134 80.128 166.624 11.409 1.00 63.97 O ATOM 1119 HG SER A 134 80.952 166.331 11.872 1.00 0.00 H ATOM 1120 H SER A 134 82.588 165.504 10.726 1.00 0.00 H TER 1121 SER A 134 HETATM 1122 O HOH 1 100.996 160.516 10.974 1.00 64.08 O HETATM 1123 O HOH 2 110.305 131.424 10.704 1.00 41.17 O HETATM 1124 O HOH 3 103.480 138.589 20.601 1.00 42.65 O HETATM 1125 O HOH 4 96.193 136.941 17.812 1.00 46.29 O HETATM 1126 O HOH 5 111.080 127.959 16.080 1.00 42.67 O HETATM 1127 O HOH 6 111.356 121.242 13.576 1.00 40.87 O HETATM 1128 O HOH 7 104.726 136.222 6.881 1.00 33.10 O HETATM 1129 O HOH 8 104.890 140.349 5.291 1.00 40.61 O HETATM 1130 O HOH 9 104.053 140.604 0.072 1.00 35.05 O HETATM 1131 O HOH 10 103.010 137.864 3.565 1.00 30.57 O HETATM 1132 O HOH 11 96.622 135.696 13.131 1.00 34.11 O HETATM 1133 O HOH 12 92.482 139.922 4.444 1.00 42.30 O HETATM 1134 O HOH 13 101.958 131.548 -4.090 1.00 59.57 O HETATM 1135 O HOH 14 104.328 133.288 20.858 1.00 43.92 O HETATM 1136 O HOH 15 96.734 134.339 6.100 1.00 29.37 O HETATM 1137 O HOH 16 105.561 158.916 1.005 1.00 57.32 O HETATM 1138 O HOH 17 93.285 137.024 12.593 1.00 35.36 O HETATM 1139 O HOH 18 107.589 140.809 5.183 1.00 38.75 O HETATM 1140 O HOH 19 96.690 133.581 -4.607 1.00 49.82 O HETATM 1141 O HOH 20 108.027 148.180 8.631 1.00 50.69 O HETATM 1142 O HOH 21 91.910 144.662 0.855 1.00 40.78 O HETATM 1143 O HOH 22 90.041 135.547 10.929 1.00 41.30 O HETATM 1144 O HOH 23 94.307 135.747 6.640 1.00 32.67 O HETATM 1145 O HOH 24 107.972 133.827 -1.421 1.00 43.51 O HETATM 1146 O HOH 25 103.673 138.662 6.684 1.00 34.18 O HETATM 1147 O HOH 26 88.637 144.574 7.161 1.00 47.70 O HETATM 1148 O HOH 27 96.621 150.562 19.516 1.00 42.62 O HETATM 1149 O HOH 28 102.400 126.640 8.570 1.00 47.33 O HETATM 1150 O HOH 29 102.444 153.251 16.627 1.00 52.26 O HETATM 1151 O HOH 30 105.758 136.812 -0.506 1.00 38.70 O HETATM 1152 O HOH 31 85.191 149.515 18.153 1.00 55.33 O HETATM 1153 O HOH 32 98.195 133.632 2.420 1.00 29.43 O HETATM 1154 O HOH 33 97.959 138.683 -1.946 1.00 40.97 O HETATM 1155 O HOH 34 98.803 144.058 21.148 1.00 46.16 O HETATM 1156 O HOH 35 109.308 129.228 12.070 1.00 39.29 O HETATM 1157 O HOH 36 95.580 157.206 14.784 1.00 54.41 O HETATM 1158 O HOH 37 100.574 140.686 -2.901 1.00 50.10 O HETATM 1159 O HOH 38 106.853 125.219 10.872 1.00 43.76 O HETATM 1160 O HOH 39 113.548 133.509 -3.837 1.00 44.37 O HETATM 1161 O HOH 40 92.320 144.458 18.738 1.00 56.67 O HETATM 1162 O HOH 41 96.980 133.077 11.407 1.00 50.29 O HETATM 1163 O HOH 42 93.001 133.795 9.323 1.00 59.87 O HETATM 1164 O HOH 43 105.083 138.626 1.525 1.00 34.11 O HETATM 1165 O HOH 44 108.553 127.552 10.056 1.00 54.16 O HETATM 1166 O HOH 45 96.949 136.087 24.181 1.00 62.17 O HETATM 1167 O HOH 46 110.948 150.096 8.974 1.00 61.68 O HETATM 1168 O HOH 47 87.915 144.521 2.551 1.00 48.68 O HETATM 1169 O HOH 48 89.936 142.599 8.265 1.00 45.53 O HETATM 1170 O HOH 49 108.327 126.239 7.660 1.00 53.00 O HETATM 1171 O HOH 50 100.841 139.785 22.146 1.00 56.44 O HETATM 1172 OAC UNN A 51 113.239 141.042 7.573 1.00 -0.38 O HETATM 1173 CAM UNN A 51 112.746 141.286 6.469 1.00 0.21 C HETATM 1174 CAK UNN A 51 112.885 142.613 5.936 1.00 0.04 C HETATM 1175 CAI UNN A 51 111.686 142.990 5.012 1.00 -0.03 C HETATM 1176 CAJ UNN A 51 111.806 141.948 3.855 1.00 -0.02 C HETATM 1177 CAL UNN A 51 111.473 140.561 4.420 1.00 0.06 C HETATM 1178 NAS UNN A 51 112.095 140.297 5.771 1.00 -0.22 N HETATM 1179 CAO UNN A 51 111.840 139.014 6.216 1.00 0.06 C HETATM 1180 CAH UNN A 51 110.536 138.742 6.660 1.00 -0.01 C HETATM 1181 CAR UNN A 51 110.102 137.486 7.108 1.00 0.08 C HETATM 1182 NAT UNN A 51 108.816 137.306 7.529 1.00 -0.23 N HETATM 1183 CAB UNN A 51 107.771 138.397 7.598 1.00 0.05 C HETATM 1184 H10 UNN A 51 108.206 139.344 7.245 1.00 0.06 H HETATM 1185 H11 UNN A 51 107.431 138.514 8.638 1.00 0.06 H HETATM 1186 H12 UNN A 51 106.916 138.126 6.961 1.00 0.06 H HETATM 1187 CAP UNN A 51 108.436 136.077 7.930 1.00 0.19 C HETATM 1188 OAD UNN A 51 107.291 135.917 8.279 1.00 -0.42 O HETATM 1189 CAG UNN A 51 109.342 134.993 7.921 1.00 -0.01 C HETATM 1190 CAN UNN A 51 110.655 135.143 7.516 1.00 -0.04 C HETATM 1191 CAA UNN A 51 111.576 134.041 7.541 1.00 -0.03 C HETATM 1192 H14 UNN A 51 111.056 133.137 7.891 1.00 0.04 H HETATM 1193 H15 UNN A 51 112.407 134.273 8.223 1.00 0.04 H HETATM 1194 H16 UNN A 51 111.969 133.869 6.528 1.00 0.04 H HETATM 1195 CAQ UNN A 51 111.055 136.431 7.105 1.00 0.01 C HETATM 1196 CAF UNN A 51 112.374 136.682 6.648 1.00 -0.07 C HETATM 1197 CAE UNN A 51 112.767 137.959 6.195 1.00 -0.05 C HETATM 1198 H18 UNN A 51 113.776 138.125 5.834 1.00 0.04 H HETATM 1199 H17 UNN A 51 113.097 135.874 6.647 1.00 0.06 H HETATM 1200 H13 UNN A 51 108.996 134.012 8.242 1.00 0.04 H HETATM 1201 H9 UNN A 51 109.819 139.555 6.656 1.00 0.04 H HETATM 1202 H7 UNN A 51 111.838 139.800 3.714 1.00 0.06 H HETATM 1203 H8 UNN A 51 110.380 140.477 4.517 1.00 0.06 H HETATM 1204 H5 UNN A 51 112.831 141.951 3.457 1.00 0.03 H HETATM 1205 H6 UNN A 51 111.099 142.202 3.051 1.00 0.03 H HETATM 1206 H3 UNN A 51 111.785 144.018 4.633 1.00 0.03 H HETATM 1207 H4 UNN A 51 110.728 142.886 5.542 1.00 0.03 H HETATM 1208 H1 UNN A 51 113.816 142.668 5.353 1.00 0.05 H HETATM 1209 H2 UNN A 51 112.932 143.329 6.769 1.00 0.05 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1172 1173 CONECT 1173 1172 1174 1178 CONECT 1174 1173 1175 1208 1209 CONECT 1175 1174 1176 1206 1207 CONECT 1176 1175 1177 1204 1205 CONECT 1177 1176 1178 1202 1203 CONECT 1178 1173 1177 1179 CONECT 1179 1178 1180 1197 CONECT 1180 1179 1181 1201 CONECT 1181 1180 1182 1195 CONECT 1182 1181 1183 1187 CONECT 1183 1182 1184 1185 1186 CONECT 1184 1183 CONECT 1185 1183 CONECT 1186 1183 CONECT 1187 1182 1188 1189 CONECT 1188 1187 CONECT 1189 1187 1190 1200 CONECT 1190 1189 1191 1195 CONECT 1191 1190 1192 1193 1194 CONECT 1192 1191 CONECT 1193 1191 CONECT 1194 1191 CONECT 1195 1181 1190 1196 CONECT 1196 1195 1197 1199 CONECT 1197 1179 1196 1198 CONECT 1198 1197 CONECT 1199 1196 CONECT 1200 1189 CONECT 1201 1180 CONECT 1202 1177 CONECT 1203 1177 CONECT 1204 1176 CONECT 1205 1176 CONECT 1206 1175 CONECT 1207 1175 CONECT 1208 1174 CONECT 1209 1174 MASTER 0 0 0 0 0 0 0 0 1208 1 42 9 END
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Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
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PDBbind
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PDBbind
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5i7x
RCSB PDB
PDBbind
101aa, >5I7X_1|Chain... at 100%
5i7y
RCSB PDB
PDBbind
101aa, >5I7Y_1|Chain... at 100%
5igm
RCSB PDB
PDBbind
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PDBbind
111aa, >5JI8_1|Chain... at 92%
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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
4z6h
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Bromodomain-containing protein 9
Ligand Name
4L2
EC.Number
E.C.-.-.-.-
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
Kd=612nM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) Angew.Chem.Int.Ed.Engl. Vol. 54: pp. 6217-6221
Ligand Properties
Formula
C
1
6
H
1
8
N
2
O
2
Molecular Weight
270.326
Exact Mass
270.137
No. of atoms
38
No. of bonds
40
Polar Surface Area
42.31
LOGP Value
1.21 (
Computed with XLOGP3
)
2.43 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 3
Canonical SMILES
O=C1CCCCN1c1ccc2c(c1)n(C)c(=O)cc2C
InChI String
InChI=1S/C16H18N2O2/c1-11-9-16(20)17(2)14-10-12(6-7-13(11)14)18-8-4-3-5-15(18)19/h6-7,9-10H,3-5,8H2,1-2H3
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):
Q9H8M2
Entrez Gene ID
NCBI Entrez Gene ID:
65980
ASD
Information of known allosteric effects of PDB entries
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