Browse entries in the PDBbind-CN Database
HEADER 5LRQ_COMPLEX COMPND 5LRQ_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 122 SER MET ASN PRO PRO PRO PRO GLU THR SER ASN PRO ASN SEQRES 2 A 122 LYS PRO LYS ALA GLN THR ASN GLN LEU GLN TYR LEU LEU SEQRES 3 A 122 ARG VAL VAL LEU LYS THR LEU TRP LYS HIS GLN PHE ALA SEQRES 4 A 122 TRP PRO PHE GLN GLN PRO VAL ASP ALA VAL LYS LEU ASN SEQRES 5 A 122 LEU PRO ASP TYR TYR LYS ILE ILE LYS THR PRO MET ASP SEQRES 6 A 122 MET GLY THR ILE LYS LYS ARG LEU GLU ASN ASN TYR TYR SEQRES 7 A 122 TRP ASN ALA GLN GLU CYS ILE GLN ASP PHE ASN THR MET SEQRES 8 A 122 PHE THR ASN CYS TYR ILE TYR ASN LYS PRO GLY ASP ASP SEQRES 9 A 122 ILE VAL LEU MET ALA GLU ALA LEU GLU LYS LEU PHE LEU SEQRES 10 A 122 GLN LYS ILE ASN GLU HET MOL A 237 65 ATOM 1 N SER A 42 40.598 -2.652 117.609 1.00 53.22 N ATOM 2 CA SER A 42 39.550 -3.089 118.587 1.00 53.51 C ATOM 3 C SER A 42 38.398 -2.093 118.865 1.00 44.26 C ATOM 4 O SER A 42 37.218 -2.513 118.823 1.00 40.98 O ATOM 5 CB SER A 42 40.200 -3.565 119.902 1.00 60.19 C ATOM 6 OG SER A 42 39.329 -4.429 120.631 1.00 65.45 O ATOM 7 HG SER A 42 39.117 -5.223 120.080 1.00 0.00 H ATOM 8 HN3 SER A 42 41.053 -1.783 117.955 1.00 0.00 H ATOM 9 HN2 SER A 42 40.154 -2.468 116.686 1.00 0.00 H ATOM 10 HN1 SER A 42 41.311 -3.402 117.509 1.00 0.00 H ATOM 11 N MET A 43 38.662 -0.808 119.167 1.00 44.46 N ATOM 12 CA MET A 43 37.530 0.166 119.407 1.00 42.18 C ATOM 13 C MET A 43 37.771 1.584 118.856 1.00 34.14 C ATOM 14 O MET A 43 38.837 2.125 119.021 1.00 34.10 O ATOM 15 CB MET A 43 37.129 0.217 120.890 1.00 49.88 C ATOM 16 CG MET A 43 35.785 0.895 121.252 1.00 55.41 C ATOM 17 SD MET A 43 35.320 1.027 123.049 1.00 58.51 S ATOM 18 CE MET A 43 35.531 -0.664 123.607 1.00 59.62 C ATOM 19 H MET A 43 39.648 -0.484 119.236 1.00 0.00 H ATOM 20 N ASN A 44 36.764 2.173 118.197 1.00 31.62 N ATOM 21 CA ASN A 44 36.845 3.573 117.718 1.00 29.06 C ATOM 22 C ASN A 44 36.800 4.548 118.918 1.00 27.80 C ATOM 23 O ASN A 44 36.051 4.299 119.897 1.00 27.11 O ATOM 24 CB ASN A 44 35.639 3.926 116.841 1.00 30.38 C ATOM 25 CG ASN A 44 35.703 3.294 115.459 1.00 27.85 C ATOM 26 OD1 ASN A 44 36.667 3.455 114.727 1.00 26.69 O ATOM 27 ND2 ASN A 44 34.653 2.642 115.085 1.00 28.72 N ATOM 28 HD22 ASN A 44 33.852 2.527 115.739 1.00 0.00 H ATOM 29 HD21 ASN A 44 34.608 2.232 114.130 1.00 0.00 H ATOM 30 H ASN A 44 35.896 1.629 118.016 1.00 0.00 H ATOM 31 N PRO A 45 37.508 5.690 118.802 1.00 26.14 N ATOM 32 CA PRO A 45 37.326 6.681 119.805 1.00 24.13 C ATOM 33 C PRO A 45 35.925 7.283 119.718 1.00 25.63 C ATOM 34 O PRO A 45 35.232 7.165 118.690 1.00 23.56 O ATOM 35 CB PRO A 45 38.338 7.736 119.443 1.00 28.04 C ATOM 36 CG PRO A 45 38.373 7.684 117.940 1.00 27.42 C ATOM 37 CD PRO A 45 38.264 6.233 117.651 1.00 25.91 C ATOM 38 N PRO A 46 35.516 7.993 120.769 1.00 23.48 N ATOM 39 CA PRO A 46 34.280 8.734 120.685 1.00 25.94 C ATOM 40 C PRO A 46 34.324 9.796 119.554 1.00 25.36 C ATOM 41 O PRO A 46 35.397 10.306 119.242 1.00 23.83 O ATOM 42 CB PRO A 46 34.186 9.457 122.039 1.00 27.42 C ATOM 43 CG PRO A 46 35.192 8.841 122.920 1.00 30.19 C ATOM 44 CD PRO A 46 36.266 8.267 122.025 1.00 28.39 C ATOM 45 N PRO A 47 33.194 10.059 118.921 1.00 25.35 N ATOM 46 CA PRO A 47 33.225 11.109 117.896 1.00 25.16 C ATOM 47 C PRO A 47 33.509 12.490 118.526 1.00 23.18 C ATOM 48 O PRO A 47 33.433 12.648 119.761 1.00 23.99 O ATOM 49 CB PRO A 47 31.844 11.036 117.306 1.00 25.67 C ATOM 50 CG PRO A 47 30.992 10.563 118.435 1.00 27.66 C ATOM 51 CD PRO A 47 31.824 9.587 119.170 1.00 26.27 C ATOM 52 N PRO A 48 33.868 13.492 117.724 1.00 21.97 N ATOM 53 CA PRO A 48 34.074 14.814 118.281 1.00 20.44 C ATOM 54 C PRO A 48 32.847 15.414 118.922 1.00 21.08 C ATOM 55 O PRO A 48 31.719 15.146 118.506 1.00 22.71 O ATOM 56 CB PRO A 48 34.435 15.656 117.065 1.00 22.05 C ATOM 57 CG PRO A 48 34.828 14.678 116.024 1.00 22.89 C ATOM 58 CD PRO A 48 33.975 13.489 116.253 1.00 20.70 C ATOM 59 N GLU A 49 33.050 16.242 119.928 1.00 22.00 N ATOM 60 CA GLU A 49 31.958 16.879 120.607 1.00 24.46 C ATOM 61 C GLU A 49 31.210 17.804 119.688 1.00 22.36 C ATOM 62 O GLU A 49 31.810 18.379 118.774 1.00 24.54 O ATOM 63 CB GLU A 49 32.480 17.682 121.814 1.00 27.95 C ATOM 64 CG GLU A 49 33.305 18.919 121.442 1.00 33.03 C ATOM 65 CD GLU A 49 33.627 19.847 122.622 1.00 37.62 C ATOM 66 OE1 GLU A 49 33.642 19.355 123.763 1.00 37.62 O ATOM 67 OE2 GLU A 49 33.885 21.074 122.376 1.00 37.63 O ATOM 68 H GLU A 49 34.024 16.438 120.236 1.00 0.00 H ATOM 69 N THR A 50 29.906 17.918 119.908 1.00 21.90 N ATOM 70 CA THR A 50 29.031 18.748 119.096 1.00 22.54 C ATOM 71 C THR A 50 28.257 19.750 119.876 1.00 23.55 C ATOM 72 O THR A 50 27.443 20.501 119.323 1.00 24.41 O ATOM 73 CB THR A 50 28.056 17.881 118.314 1.00 26.13 C ATOM 74 OG1 THR A 50 27.245 17.091 119.222 1.00 26.34 O ATOM 75 CG2 THR A 50 28.797 16.976 117.422 1.00 23.82 C ATOM 76 HG1 THR A 50 26.616 16.532 118.700 1.00 0.00 H ATOM 77 H THR A 50 29.490 17.388 120.700 1.00 0.00 H ATOM 78 N SER A 51 28.565 19.839 121.159 1.00 22.52 N ATOM 79 CA SER A 51 27.840 20.718 122.075 1.00 24.67 C ATOM 80 C SER A 51 28.795 20.940 123.254 1.00 30.36 C ATOM 81 O SER A 51 29.537 20.014 123.653 1.00 32.42 O ATOM 82 CB SER A 51 26.577 20.053 122.606 1.00 26.39 C ATOM 83 OG SER A 51 25.912 20.926 123.508 1.00 29.39 O ATOM 84 HG SER A 51 25.668 21.762 123.037 1.00 0.00 H ATOM 85 H SER A 51 29.349 19.265 121.529 1.00 0.00 H ATOM 86 N ASN A 52 28.802 22.129 123.808 1.00 35.24 N ATOM 87 CA ASN A 52 29.714 22.374 124.969 1.00 42.63 C ATOM 88 C ASN A 52 29.245 23.627 125.708 1.00 46.95 C ATOM 89 O ASN A 52 29.522 24.726 125.244 1.00 49.17 O ATOM 90 CB ASN A 52 31.204 22.490 124.524 1.00 47.34 C ATOM 91 CG ASN A 52 32.213 22.537 125.706 1.00 55.29 C ATOM 92 OD1 ASN A 52 32.035 23.245 126.726 1.00 49.77 O ATOM 93 ND2 ASN A 52 33.307 21.810 125.537 1.00 56.24 N ATOM 94 HD22 ASN A 52 33.421 21.234 124.678 1.00 0.00 H ATOM 95 HD21 ASN A 52 34.052 21.815 126.263 1.00 0.00 H ATOM 96 H ASN A 52 28.186 22.886 123.448 1.00 0.00 H ATOM 97 N PRO A 53 28.587 23.446 126.879 1.00 50.21 N ATOM 98 CA PRO A 53 28.006 24.600 127.609 1.00 56.85 C ATOM 99 C PRO A 53 29.022 25.649 128.129 1.00 56.09 C ATOM 100 O PRO A 53 28.609 26.760 128.427 1.00 56.69 O ATOM 101 CB PRO A 53 27.224 23.941 128.755 1.00 59.71 C ATOM 102 CG PRO A 53 27.781 22.560 128.918 1.00 54.76 C ATOM 103 CD PRO A 53 28.624 22.226 127.718 1.00 53.96 C ATOM 104 N ASN A 54 30.318 25.300 128.229 1.00 69.40 N ATOM 105 CA ASN A 54 31.432 26.308 128.380 1.00 76.18 C ATOM 106 C ASN A 54 31.723 27.099 127.098 1.00 72.71 C ATOM 107 O ASN A 54 32.249 28.231 127.135 1.00 59.67 O ATOM 108 CB ASN A 54 32.775 25.651 128.768 1.00 80.62 C ATOM 109 CG ASN A 54 32.897 25.365 130.252 1.00 87.58 C ATOM 110 OD1 ASN A 54 32.464 26.151 131.107 1.00 84.14 O ATOM 111 ND2 ASN A 54 33.522 24.239 130.566 1.00 90.58 N ATOM 112 HD22 ASN A 54 33.869 23.610 129.814 1.00 0.00 H ATOM 113 HD21 ASN A 54 33.666 23.985 131.564 1.00 0.00 H ATOM 114 H ASN A 54 30.563 24.290 128.201 1.00 0.00 H ATOM 115 N LYS A 55 31.446 26.461 125.965 1.00 66.69 N ATOM 116 CA LYS A 55 31.673 27.080 124.686 1.00 62.49 C ATOM 117 C LYS A 55 30.474 27.978 124.379 1.00 63.96 C ATOM 118 O LYS A 55 29.349 27.471 124.250 1.00 63.01 O ATOM 119 CB LYS A 55 31.872 26.021 123.611 1.00 58.64 C ATOM 120 CG LYS A 55 32.636 26.557 122.411 1.00 56.30 C ATOM 121 CD LYS A 55 32.605 25.575 121.263 1.00 53.25 C ATOM 122 CE LYS A 55 33.157 26.202 119.989 1.00 53.17 C ATOM 123 NZ LYS A 55 34.638 26.258 120.021 1.00 59.35 N ATOM 124 HZ1 LYS A 55 34.945 26.830 120.834 1.00 0.00 H ATOM 125 HZ2 LYS A 55 35.018 25.294 120.110 1.00 0.00 H ATOM 126 HZ3 LYS A 55 34.986 26.689 119.141 1.00 0.00 H ATOM 127 H LYS A 55 31.058 25.497 126.004 1.00 0.00 H ATOM 128 N PRO A 56 30.693 29.323 124.293 1.00 71.05 N ATOM 129 CA PRO A 56 29.516 30.141 123.966 1.00 64.45 C ATOM 130 C PRO A 56 28.902 29.754 122.609 1.00 61.86 C ATOM 131 O PRO A 56 29.611 29.542 121.605 1.00 53.66 O ATOM 132 CB PRO A 56 30.049 31.579 123.952 1.00 63.76 C ATOM 133 CG PRO A 56 31.511 31.454 123.805 1.00 62.85 C ATOM 134 CD PRO A 56 31.920 30.142 124.410 1.00 64.58 C ATOM 135 N LYS A 57 27.589 29.570 122.645 1.00 64.37 N ATOM 136 CA LYS A 57 26.767 29.550 121.449 1.00 64.10 C ATOM 137 C LYS A 57 26.868 30.918 120.721 1.00 63.73 C ATOM 138 O LYS A 57 26.820 31.993 121.371 1.00 50.13 O ATOM 139 CB LYS A 57 25.293 29.216 121.811 1.00 60.98 C ATOM 140 CG LYS A 57 24.563 30.292 122.635 1.00 65.86 C ATOM 141 CD LYS A 57 23.231 29.848 123.240 1.00 66.07 C ATOM 142 CE LYS A 57 22.264 29.222 122.233 1.00 66.79 C ATOM 143 NZ LYS A 57 22.087 29.988 120.964 1.00 70.68 N ATOM 144 HZ1 LYS A 57 21.718 30.936 121.181 1.00 0.00 H ATOM 145 HZ2 LYS A 57 23.004 30.074 120.482 1.00 0.00 H ATOM 146 HZ3 LYS A 57 21.416 29.486 120.348 1.00 0.00 H ATOM 147 H LYS A 57 27.130 29.434 123.568 1.00 0.00 H ATOM 148 N ALA A 58 27.057 30.866 119.398 1.00 59.73 N ATOM 149 CA ALA A 58 26.770 32.024 118.497 1.00 60.65 C ATOM 150 C ALA A 58 26.036 31.588 117.246 1.00 55.60 C ATOM 151 O ALA A 58 26.197 30.436 116.770 1.00 50.88 O ATOM 152 CB ALA A 58 28.027 32.766 118.071 1.00 59.33 C ATOM 153 H ALA A 58 27.418 29.985 118.979 1.00 0.00 H ATOM 154 N GLN A 59 25.241 32.521 116.710 1.00 47.93 N ATOM 155 CA GLN A 59 24.887 32.414 115.318 1.00 40.12 C ATOM 156 C GLN A 59 25.037 33.721 114.613 1.00 35.45 C ATOM 157 O GLN A 59 24.409 34.687 114.943 1.00 42.35 O ATOM 158 CB GLN A 59 23.544 31.761 115.052 1.00 46.26 C ATOM 159 CG GLN A 59 23.613 31.048 113.688 1.00 43.51 C ATOM 160 CD GLN A 59 22.260 30.674 113.133 1.00 47.41 C ATOM 161 OE1 GLN A 59 21.260 31.364 113.370 1.00 52.80 O ATOM 162 NE2 GLN A 59 22.222 29.600 112.358 1.00 38.57 N ATOM 163 HE22 GLN A 59 23.089 29.051 112.187 1.00 0.00 H ATOM 164 HE21 GLN A 59 21.326 29.306 111.920 1.00 0.00 H ATOM 165 H GLN A 59 24.885 33.309 117.288 1.00 0.00 H ATOM 166 N THR A 60 25.932 33.704 113.643 1.00 31.42 N ATOM 167 CA THR A 60 26.286 34.830 112.841 1.00 29.99 C ATOM 168 C THR A 60 25.649 34.546 111.500 1.00 28.68 C ATOM 169 O THR A 60 25.203 33.403 111.209 1.00 30.85 O ATOM 170 CB THR A 60 27.808 34.934 112.647 1.00 30.87 C ATOM 171 OG1 THR A 60 28.261 33.766 111.987 1.00 28.76 O ATOM 172 CG2 THR A 60 28.616 35.151 113.969 1.00 34.49 C ATOM 173 HG1 THR A 60 29.241 33.821 111.856 1.00 0.00 H ATOM 174 H THR A 60 26.415 32.804 113.449 1.00 0.00 H ATOM 175 N ASN A 61 25.625 35.571 110.663 1.00 24.38 N ATOM 176 CA ASN A 61 25.042 35.481 109.352 1.00 25.91 C ATOM 177 C ASN A 61 25.839 34.516 108.453 1.00 27.77 C ATOM 178 O ASN A 61 25.279 33.797 107.607 1.00 22.11 O ATOM 179 CB ASN A 61 25.025 36.889 108.733 1.00 26.44 C ATOM 180 CG ASN A 61 24.234 36.968 107.501 1.00 26.16 C ATOM 181 OD1 ASN A 61 23.070 36.613 107.472 1.00 27.88 O ATOM 182 ND2 ASN A 61 24.831 37.454 106.488 1.00 28.58 N ATOM 183 HD22 ASN A 61 25.827 37.744 106.561 1.00 0.00 H ATOM 184 HD21 ASN A 61 24.323 37.562 105.587 1.00 0.00 H ATOM 185 H ASN A 61 26.043 36.474 110.965 1.00 0.00 H ATOM 186 N GLN A 62 27.166 34.540 108.607 1.00 25.21 N ATOM 187 CA GLN A 62 27.970 33.554 107.844 1.00 25.71 C ATOM 188 C GLN A 62 27.705 32.123 108.310 1.00 25.32 C ATOM 189 O GLN A 62 27.705 31.204 107.485 1.00 24.14 O ATOM 190 CB GLN A 62 29.458 33.907 107.927 1.00 27.05 C ATOM 191 CG GLN A 62 29.787 35.128 107.028 1.00 33.08 C ATOM 192 CD GLN A 62 31.170 35.692 107.307 1.00 41.20 C ATOM 193 OE1 GLN A 62 31.499 36.807 106.894 1.00 48.90 O ATOM 194 NE2 GLN A 62 31.966 34.953 108.051 1.00 41.69 N ATOM 195 HE22 GLN A 62 31.651 34.018 108.379 1.00 0.00 H ATOM 196 HE21 GLN A 62 32.910 35.304 108.310 1.00 0.00 H ATOM 197 H GLN A 62 27.621 35.228 109.241 1.00 0.00 H ATOM 198 N LEU A 63 27.555 31.903 109.629 1.00 22.38 N ATOM 199 CA LEU A 63 27.243 30.531 110.113 1.00 24.55 C ATOM 200 C LEU A 63 25.910 30.031 109.597 1.00 26.07 C ATOM 201 O LEU A 63 25.727 28.874 109.162 1.00 24.02 O ATOM 202 CB LEU A 63 27.278 30.468 111.608 1.00 22.74 C ATOM 203 CG LEU A 63 28.709 30.512 112.125 1.00 26.35 C ATOM 204 CD1 LEU A 63 28.716 30.850 113.630 1.00 27.70 C ATOM 205 CD2 LEU A 63 29.418 29.163 111.885 1.00 26.60 C ATOM 206 H LEU A 63 27.656 32.686 110.305 1.00 0.00 H ATOM 207 N GLN A 64 24.962 30.959 109.541 1.00 26.28 N ATOM 208 CA GLN A 64 23.662 30.654 108.995 1.00 22.42 C ATOM 209 C GLN A 64 23.741 30.232 107.513 1.00 20.89 C ATOM 210 O GLN A 64 23.080 29.255 107.058 1.00 23.93 O ATOM 211 CB GLN A 64 22.851 31.957 109.232 1.00 26.11 C ATOM 212 CG GLN A 64 21.394 31.874 108.977 1.00 30.27 C ATOM 213 CD GLN A 64 20.694 33.207 109.243 1.00 28.99 C ATOM 214 OE1 GLN A 64 19.635 33.226 109.848 1.00 38.96 O ATOM 215 NE2 GLN A 64 21.251 34.299 108.757 1.00 29.60 N ATOM 216 HE22 GLN A 64 22.155 34.239 108.247 1.00 0.00 H ATOM 217 HE21 GLN A 64 20.786 35.221 108.884 1.00 0.00 H ATOM 218 H GLN A 64 25.159 31.917 109.895 1.00 0.00 H ATOM 219 N TYR A 65 24.566 30.929 106.723 1.00 20.61 N ATOM 220 CA TYR A 65 24.823 30.532 105.329 1.00 22.51 C ATOM 221 C TYR A 65 25.539 29.126 105.232 1.00 21.47 C ATOM 222 O TYR A 65 25.251 28.275 104.399 1.00 19.76 O ATOM 223 CB TYR A 65 25.702 31.594 104.674 1.00 25.12 C ATOM 224 CG TYR A 65 25.860 31.400 103.208 1.00 27.38 C ATOM 225 CD1 TYR A 65 24.808 31.704 102.347 1.00 31.30 C ATOM 226 CD2 TYR A 65 27.028 30.878 102.654 1.00 29.54 C ATOM 227 CE1 TYR A 65 24.908 31.509 101.009 1.00 34.75 C ATOM 228 CE2 TYR A 65 27.127 30.666 101.271 1.00 33.79 C ATOM 229 CZ TYR A 65 26.047 30.995 100.475 1.00 35.91 C ATOM 230 OH TYR A 65 26.048 30.853 99.110 1.00 44.76 O ATOM 231 HH TYR A 65 25.175 31.148 98.748 1.00 0.00 H ATOM 232 H TYR A 65 25.038 31.774 107.104 1.00 0.00 H ATOM 233 N LEU A 66 26.523 28.932 106.073 1.00 22.47 N ATOM 234 CA LEU A 66 27.284 27.628 106.040 1.00 22.45 C ATOM 235 C LEU A 66 26.312 26.422 106.280 1.00 24.37 C ATOM 236 O LEU A 66 26.392 25.362 105.639 1.00 22.27 O ATOM 237 CB LEU A 66 28.381 27.681 107.068 1.00 21.69 C ATOM 238 CG LEU A 66 29.609 28.489 106.673 1.00 23.00 C ATOM 239 CD1 LEU A 66 30.484 28.698 107.877 1.00 23.59 C ATOM 240 CD2 LEU A 66 30.401 27.716 105.637 1.00 29.70 C ATOM 241 H LEU A 66 26.779 29.671 106.759 1.00 0.00 H ATOM 242 N LEU A 67 25.343 26.604 107.200 1.00 24.61 N ATOM 243 CA LEU A 67 24.392 25.518 107.457 1.00 24.29 C ATOM 244 C LEU A 67 23.440 25.380 106.366 1.00 26.00 C ATOM 245 O LEU A 67 23.214 24.256 105.871 1.00 23.01 O ATOM 246 CB LEU A 67 23.633 25.721 108.766 1.00 26.56 C ATOM 247 CG LEU A 67 22.549 24.689 109.146 1.00 28.84 C ATOM 248 CD1 LEU A 67 23.103 23.266 109.146 1.00 30.22 C ATOM 249 CD2 LEU A 67 21.969 25.125 110.488 1.00 27.01 C ATOM 250 H LEU A 67 25.271 27.502 107.720 1.00 0.00 H ATOM 251 N ARG A 68 22.814 26.495 105.996 1.00 23.36 N ATOM 252 CA ARG A 68 21.583 26.388 105.183 1.00 25.00 C ATOM 253 C ARG A 68 21.922 26.317 103.720 1.00 25.28 C ATOM 254 O ARG A 68 21.135 25.821 102.935 1.00 24.41 O ATOM 255 CB ARG A 68 20.671 27.606 105.389 1.00 24.77 C ATOM 256 CG ARG A 68 20.173 27.746 106.804 1.00 25.82 C ATOM 257 CD ARG A 68 19.185 26.656 107.261 1.00 25.72 C ATOM 258 NE ARG A 68 18.016 26.497 106.393 1.00 30.32 N ATOM 259 CZ ARG A 68 16.828 25.985 106.768 1.00 27.98 C ATOM 260 NH1 ARG A 68 16.594 25.628 108.019 1.00 27.89 N ATOM 261 NH2 ARG A 68 15.856 25.884 105.891 1.00 28.86 N ATOM 262 HE ARG A 68 18.111 26.805 105.404 1.00 0.00 H ATOM 263 HH12 ARG A 68 15.668 25.235 108.283 1.00 0.00 H ATOM 264 HH11 ARG A 68 17.336 25.740 108.739 1.00 0.00 H ATOM 265 HH22 ARG A 68 14.937 25.489 106.176 1.00 0.00 H ATOM 266 HH21 ARG A 68 16.005 26.199 104.911 1.00 0.00 H ATOM 267 H ARG A 68 23.184 27.426 106.274 1.00 0.00 H ATOM 268 N VAL A 69 23.139 26.758 103.366 1.00 22.52 N ATOM 269 CA VAL A 69 23.553 26.635 101.967 1.00 24.57 C ATOM 270 C VAL A 69 24.763 25.711 101.749 1.00 21.50 C ATOM 271 O VAL A 69 24.705 24.803 100.955 1.00 22.32 O ATOM 272 CB VAL A 69 23.824 28.035 101.377 1.00 25.25 C ATOM 273 CG1 VAL A 69 24.316 27.936 99.934 1.00 25.80 C ATOM 274 CG2 VAL A 69 22.565 28.905 101.448 1.00 28.08 C ATOM 275 H VAL A 69 23.776 27.179 104.072 1.00 0.00 H ATOM 276 N VAL A 70 25.865 25.974 102.420 1.00 24.35 N ATOM 277 CA VAL A 70 27.121 25.305 102.065 1.00 22.38 C ATOM 278 C VAL A 70 27.000 23.850 102.505 1.00 23.75 C ATOM 279 O VAL A 70 27.161 22.960 101.689 1.00 23.42 O ATOM 280 CB VAL A 70 28.307 25.948 102.696 1.00 22.27 C ATOM 281 CG1 VAL A 70 29.595 25.202 102.330 1.00 20.29 C ATOM 282 CG2 VAL A 70 28.399 27.413 102.263 1.00 24.25 C ATOM 283 H VAL A 70 25.845 26.658 103.203 1.00 0.00 H ATOM 284 N LEU A 71 26.627 23.608 103.759 1.00 22.77 N ATOM 285 CA LEU A 71 26.618 22.198 104.257 1.00 25.04 C ATOM 286 C LEU A 71 25.528 21.445 103.522 1.00 23.87 C ATOM 287 O LEU A 71 25.706 20.336 103.042 1.00 25.30 O ATOM 288 CB LEU A 71 26.420 22.167 105.743 1.00 25.47 C ATOM 289 CG LEU A 71 26.351 20.839 106.535 1.00 28.92 C ATOM 290 CD1 LEU A 71 25.183 19.970 106.162 1.00 33.53 C ATOM 291 CD2 LEU A 71 27.612 20.091 106.396 1.00 28.22 C ATOM 292 H LEU A 71 26.345 24.389 104.385 1.00 0.00 H ATOM 293 N LYS A 72 24.405 22.082 103.301 1.00 23.93 N ATOM 294 CA LYS A 72 23.328 21.430 102.589 1.00 26.26 C ATOM 295 C LYS A 72 23.665 20.976 101.157 1.00 26.03 C ATOM 296 O LYS A 72 23.235 19.881 100.683 1.00 27.78 O ATOM 297 CB LYS A 72 22.132 22.370 102.558 1.00 33.44 C ATOM 298 CG LYS A 72 20.998 21.830 101.716 1.00 43.74 C ATOM 299 CD LYS A 72 19.619 22.271 102.167 1.00 48.90 C ATOM 300 CE LYS A 72 18.646 21.137 101.873 1.00 53.30 C ATOM 301 NZ LYS A 72 17.250 21.553 102.104 1.00 54.50 N ATOM 302 HZ1 LYS A 72 17.135 21.839 103.097 1.00 0.00 H ATOM 303 HZ2 LYS A 72 17.021 22.355 101.482 1.00 0.00 H ATOM 304 HZ3 LYS A 72 16.613 20.758 101.895 1.00 0.00 H ATOM 305 H LYS A 72 24.288 23.059 103.638 1.00 0.00 H ATOM 306 N THR A 73 24.391 21.820 100.451 1.00 22.34 N ATOM 307 CA THR A 73 24.853 21.486 99.109 1.00 24.64 C ATOM 308 C THR A 73 25.807 20.289 99.151 1.00 20.22 C ATOM 309 O THR A 73 25.657 19.384 98.427 1.00 19.73 O ATOM 310 CB THR A 73 25.548 22.716 98.467 1.00 26.40 C ATOM 311 OG1 THR A 73 24.609 23.797 98.444 1.00 31.28 O ATOM 312 CG2 THR A 73 26.055 22.431 97.039 1.00 27.12 C ATOM 313 HG1 THR A 73 24.328 24.008 99.369 1.00 0.00 H ATOM 314 H THR A 73 24.639 22.743 100.860 1.00 0.00 H ATOM 315 N LEU A 74 26.809 20.323 100.004 1.00 21.21 N ATOM 316 CA LEU A 74 27.728 19.177 100.080 1.00 21.50 C ATOM 317 C LEU A 74 27.051 17.899 100.524 1.00 20.74 C ATOM 318 O LEU A 74 27.374 16.813 100.045 1.00 22.94 O ATOM 319 CB LEU A 74 28.903 19.441 101.034 1.00 22.62 C ATOM 320 CG LEU A 74 30.118 20.084 100.309 1.00 26.66 C ATOM 321 CD1 LEU A 74 29.751 21.459 99.831 1.00 27.21 C ATOM 322 CD2 LEU A 74 31.342 20.111 101.221 1.00 26.08 C ATOM 323 H LEU A 74 26.949 21.151 100.617 1.00 0.00 H ATOM 324 N TRP A 75 26.189 18.017 101.530 1.00 21.77 N ATOM 325 CA TRP A 75 25.531 16.867 102.124 1.00 23.71 C ATOM 326 C TRP A 75 24.773 16.056 101.083 1.00 24.21 C ATOM 327 O TRP A 75 24.735 14.832 101.124 1.00 22.75 O ATOM 328 CB TRP A 75 24.602 17.313 103.257 1.00 23.46 C ATOM 329 CG TRP A 75 24.075 16.191 104.054 1.00 22.25 C ATOM 330 CD1 TRP A 75 22.908 15.507 103.813 1.00 26.52 C ATOM 331 CD2 TRP A 75 24.671 15.595 105.201 1.00 20.04 C ATOM 332 NE1 TRP A 75 22.750 14.524 104.753 1.00 26.10 N ATOM 333 CE2 TRP A 75 23.830 14.538 105.605 1.00 24.49 C ATOM 334 CE3 TRP A 75 25.841 15.830 105.909 1.00 22.18 C ATOM 335 CZ2 TRP A 75 24.105 13.741 106.733 1.00 23.22 C ATOM 336 CZ3 TRP A 75 26.115 15.055 107.005 1.00 22.17 C ATOM 337 CH2 TRP A 75 25.271 14.034 107.420 1.00 23.31 C ATOM 338 HE1 TRP A 75 21.943 13.871 104.813 1.00 0.00 H ATOM 339 H TRP A 75 25.979 18.965 101.904 1.00 0.00 H ATOM 340 N LYS A 76 24.204 16.747 100.108 1.00 24.88 N ATOM 341 CA LYS A 76 23.359 16.070 99.117 1.00 26.86 C ATOM 342 C LYS A 76 24.123 15.592 97.896 1.00 25.76 C ATOM 343 O LYS A 76 23.561 14.943 97.073 1.00 23.26 O ATOM 344 CB LYS A 76 22.203 16.997 98.678 1.00 31.47 C ATOM 345 CG LYS A 76 22.557 18.231 97.905 1.00 39.71 C ATOM 346 CD LYS A 76 21.245 19.015 97.639 1.00 48.27 C ATOM 347 CE LYS A 76 21.485 20.447 97.140 1.00 54.84 C ATOM 348 NZ LYS A 76 22.230 20.569 95.842 1.00 51.73 N ATOM 349 HZ1 LYS A 76 23.169 20.133 95.940 1.00 0.00 H ATOM 350 HZ2 LYS A 76 21.698 20.084 95.091 1.00 0.00 H ATOM 351 HZ3 LYS A 76 22.337 21.574 95.598 1.00 0.00 H ATOM 352 H LYS A 76 24.356 17.774 100.044 1.00 0.00 H ATOM 353 N HIS A 77 25.412 15.911 97.815 1.00 22.29 N ATOM 354 CA HIS A 77 26.237 15.513 96.678 1.00 21.99 C ATOM 355 C HIS A 77 26.452 13.997 96.662 1.00 22.26 C ATOM 356 O HIS A 77 26.478 13.379 97.698 1.00 20.47 O ATOM 357 CB HIS A 77 27.543 16.281 96.765 1.00 21.46 C ATOM 358 CG HIS A 77 28.335 16.244 95.518 1.00 25.01 C ATOM 359 ND1 HIS A 77 29.168 15.188 95.204 1.00 24.85 N ATOM 360 CD2 HIS A 77 28.364 17.087 94.463 1.00 22.95 C ATOM 361 CE1 HIS A 77 29.746 15.436 94.042 1.00 28.05 C ATOM 362 NE2 HIS A 77 29.254 16.570 93.564 1.00 25.96 N ATOM 363 H HIS A 77 25.845 16.460 98.585 1.00 0.00 H ATOM 364 N GLN A 78 26.511 13.407 95.486 1.00 20.69 N ATOM 365 CA GLN A 78 26.777 11.986 95.349 1.00 24.28 C ATOM 366 C GLN A 78 28.092 11.487 95.981 1.00 23.18 C ATOM 367 O GLN A 78 28.221 10.304 96.253 1.00 24.82 O ATOM 368 CB GLN A 78 26.737 11.502 93.919 1.00 26.23 C ATOM 369 CG GLN A 78 27.649 12.241 92.979 1.00 29.74 C ATOM 370 CD GLN A 78 27.043 13.527 92.351 1.00 34.98 C ATOM 371 OE1 GLN A 78 26.294 14.350 92.986 1.00 29.56 O ATOM 372 NE2 GLN A 78 27.433 13.737 91.100 1.00 37.13 N ATOM 373 HE22 GLN A 78 28.041 13.042 90.621 1.00 0.00 H ATOM 374 HE21 GLN A 78 27.130 14.596 90.598 1.00 0.00 H ATOM 375 H GLN A 78 26.362 13.977 94.629 1.00 0.00 H ATOM 376 N PHE A 79 29.008 12.374 96.289 1.00 20.28 N ATOM 377 CA PHE A 79 30.293 11.992 96.884 1.00 20.76 C ATOM 378 C PHE A 79 30.281 12.229 98.350 1.00 20.03 C ATOM 379 O PHE A 79 31.291 12.044 99.024 1.00 20.26 O ATOM 380 CB PHE A 79 31.450 12.778 96.252 1.00 22.69 C ATOM 381 CG PHE A 79 31.742 12.446 94.802 1.00 25.06 C ATOM 382 CD1 PHE A 79 31.192 11.319 94.155 1.00 26.09 C ATOM 383 CD2 PHE A 79 32.638 13.267 94.088 1.00 27.68 C ATOM 384 CE1 PHE A 79 31.540 11.012 92.837 1.00 28.97 C ATOM 385 CE2 PHE A 79 32.944 12.980 92.759 1.00 28.81 C ATOM 386 CZ PHE A 79 32.387 11.864 92.127 1.00 28.82 C ATOM 387 H PHE A 79 28.817 13.380 96.106 1.00 0.00 H ATOM 388 N ALA A 80 29.152 12.702 98.874 1.00 18.39 N ATOM 389 CA ALA A 80 29.096 12.989 100.309 1.00 19.92 C ATOM 390 C ALA A 80 29.248 11.743 101.218 1.00 17.76 C ATOM 391 O ALA A 80 29.655 11.899 102.368 1.00 16.84 O ATOM 392 CB ALA A 80 27.775 13.659 100.678 1.00 18.66 C ATOM 393 H ALA A 80 28.320 12.866 98.272 1.00 0.00 H ATOM 394 N TRP A 81 28.785 10.604 100.761 1.00 17.72 N ATOM 395 CA TRP A 81 28.532 9.455 101.687 1.00 20.32 C ATOM 396 C TRP A 81 29.714 9.039 102.558 1.00 18.74 C ATOM 397 O TRP A 81 29.539 8.874 103.789 1.00 18.76 O ATOM 398 CB TRP A 81 27.925 8.242 100.948 1.00 20.19 C ATOM 399 CG TRP A 81 28.772 7.707 99.852 1.00 19.86 C ATOM 400 CD1 TRP A 81 28.727 8.110 98.563 1.00 23.40 C ATOM 401 CD2 TRP A 81 29.788 6.688 99.923 1.00 21.38 C ATOM 402 NE1 TRP A 81 29.664 7.433 97.816 1.00 22.12 N ATOM 403 CE2 TRP A 81 30.323 6.546 98.625 1.00 23.92 C ATOM 404 CE3 TRP A 81 30.300 5.882 100.952 1.00 22.74 C ATOM 405 CZ2 TRP A 81 31.351 5.637 98.316 1.00 24.24 C ATOM 406 CZ3 TRP A 81 31.346 4.995 100.648 1.00 23.16 C ATOM 407 CH2 TRP A 81 31.851 4.878 99.347 1.00 26.77 C ATOM 408 HE1 TRP A 81 29.843 7.573 96.801 1.00 0.00 H ATOM 409 H TRP A 81 28.592 10.498 99.745 1.00 0.00 H ATOM 410 N PRO A 82 30.934 9.023 102.021 1.00 18.43 N ATOM 411 CA PRO A 82 32.032 8.726 102.974 1.00 19.64 C ATOM 412 C PRO A 82 32.253 9.713 104.101 1.00 20.67 C ATOM 413 O PRO A 82 32.915 9.349 105.105 1.00 20.54 O ATOM 414 CB PRO A 82 33.268 8.742 102.099 1.00 19.11 C ATOM 415 CG PRO A 82 32.770 8.527 100.742 1.00 19.06 C ATOM 416 CD PRO A 82 31.492 9.313 100.715 1.00 18.31 C ATOM 417 N PHE A 83 31.796 10.972 103.924 1.00 18.18 N ATOM 418 CA PHE A 83 32.065 12.040 104.864 1.00 16.96 C ATOM 419 C PHE A 83 30.887 12.380 105.742 1.00 17.62 C ATOM 420 O PHE A 83 30.957 13.341 106.490 1.00 16.29 O ATOM 421 CB PHE A 83 32.480 13.293 104.070 1.00 18.95 C ATOM 422 CG PHE A 83 33.633 13.028 103.179 1.00 17.67 C ATOM 423 CD1 PHE A 83 34.919 13.027 103.672 1.00 17.32 C ATOM 424 CD2 PHE A 83 33.411 12.702 101.873 1.00 17.24 C ATOM 425 CE1 PHE A 83 36.004 12.679 102.842 1.00 17.22 C ATOM 426 CE2 PHE A 83 34.458 12.414 101.049 1.00 18.35 C ATOM 427 CZ PHE A 83 35.758 12.394 101.503 1.00 16.02 C ATOM 428 H PHE A 83 31.228 11.183 103.079 1.00 0.00 H ATOM 429 N GLN A 84 29.800 11.608 105.640 1.00 18.81 N ATOM 430 CA GLN A 84 28.569 11.902 106.438 1.00 20.02 C ATOM 431 C GLN A 84 28.608 11.386 107.850 1.00 20.91 C ATOM 432 O GLN A 84 27.732 11.722 108.603 1.00 18.44 O ATOM 433 CB GLN A 84 27.319 11.369 105.745 1.00 21.01 C ATOM 434 CG GLN A 84 27.007 12.211 104.497 1.00 20.92 C ATOM 435 CD GLN A 84 25.849 11.615 103.699 1.00 22.83 C ATOM 436 OE1 GLN A 84 25.664 10.409 103.701 1.00 24.39 O ATOM 437 NE2 GLN A 84 25.105 12.459 102.976 1.00 22.55 N ATOM 438 HE22 GLN A 84 25.300 13.480 103.006 1.00 0.00 H ATOM 439 HE21 GLN A 84 24.332 12.094 102.384 1.00 0.00 H ATOM 440 H GLN A 84 29.810 10.791 104.996 1.00 0.00 H ATOM 441 N GLN A 85 29.652 10.665 108.185 1.00 17.31 N ATOM 442 CA GLN A 85 29.863 10.168 109.514 1.00 17.16 C ATOM 443 C GLN A 85 31.321 10.024 109.811 1.00 17.09 C ATOM 444 O GLN A 85 32.136 10.034 108.913 1.00 18.56 O ATOM 445 CB GLN A 85 29.146 8.783 109.617 1.00 19.68 C ATOM 446 CG GLN A 85 29.666 7.645 108.742 1.00 19.18 C ATOM 447 CD GLN A 85 29.337 7.825 107.262 1.00 21.74 C ATOM 448 OE1 GLN A 85 28.164 7.920 106.867 1.00 21.77 O ATOM 449 NE2 GLN A 85 30.383 7.945 106.444 1.00 21.75 N ATOM 450 HE22 GLN A 85 31.349 7.858 106.819 1.00 0.00 H ATOM 451 HE21 GLN A 85 30.233 8.126 105.431 1.00 0.00 H ATOM 452 H GLN A 85 30.358 10.444 107.454 1.00 0.00 H ATOM 453 N PRO A 86 31.699 9.868 111.082 1.00 19.31 N ATOM 454 CA PRO A 86 33.121 9.640 111.350 1.00 17.79 C ATOM 455 C PRO A 86 33.686 8.429 110.573 1.00 16.81 C ATOM 456 O PRO A 86 32.980 7.482 110.251 1.00 17.65 O ATOM 457 CB PRO A 86 33.153 9.432 112.863 1.00 18.44 C ATOM 458 CG PRO A 86 31.980 10.203 113.370 1.00 19.46 C ATOM 459 CD PRO A 86 30.915 10.068 112.316 1.00 19.94 C ATOM 460 N VAL A 87 34.974 8.451 110.330 1.00 15.80 N ATOM 461 CA VAL A 87 35.662 7.313 109.792 1.00 16.55 C ATOM 462 C VAL A 87 35.548 6.185 110.832 1.00 17.20 C ATOM 463 O VAL A 87 35.930 6.337 112.004 1.00 16.61 O ATOM 464 CB VAL A 87 37.153 7.627 109.580 1.00 17.05 C ATOM 465 CG1 VAL A 87 37.979 6.388 109.364 1.00 19.10 C ATOM 466 CG2 VAL A 87 37.414 8.668 108.518 1.00 18.55 C ATOM 467 H VAL A 87 35.512 9.318 110.533 1.00 0.00 H ATOM 468 N ASP A 88 35.060 5.054 110.353 1.00 17.79 N ATOM 469 CA ASP A 88 34.948 3.862 111.155 1.00 20.90 C ATOM 470 C ASP A 88 36.191 3.025 110.942 1.00 18.64 C ATOM 471 O ASP A 88 36.251 2.196 110.066 1.00 17.70 O ATOM 472 CB ASP A 88 33.660 3.078 110.883 1.00 20.12 C ATOM 473 CG ASP A 88 33.428 1.970 111.951 1.00 21.58 C ATOM 474 OD1 ASP A 88 34.415 1.408 112.461 1.00 20.99 O ATOM 475 OD2 ASP A 88 32.266 1.731 112.297 1.00 22.86 O ATOM 476 H ASP A 88 34.746 5.023 109.362 1.00 0.00 H ATOM 477 N ALA A 89 37.179 3.253 111.804 1.00 19.67 N ATOM 478 CA ALA A 89 38.468 2.632 111.624 1.00 21.64 C ATOM 479 C ALA A 89 38.332 1.122 111.922 1.00 22.42 C ATOM 480 O ALA A 89 39.190 0.378 111.487 1.00 21.84 O ATOM 481 CB ALA A 89 39.507 3.260 112.520 1.00 21.01 C ATOM 482 H ALA A 89 37.020 3.885 112.615 1.00 0.00 H ATOM 483 N VAL A 90 37.338 0.726 112.720 1.00 20.84 N ATOM 484 CA VAL A 90 37.193 -0.723 113.089 1.00 24.17 C ATOM 485 C VAL A 90 36.714 -1.477 111.839 1.00 23.87 C ATOM 486 O VAL A 90 37.367 -2.418 111.392 1.00 21.60 O ATOM 487 CB VAL A 90 36.245 -0.913 114.306 1.00 27.04 C ATOM 488 CG1 VAL A 90 35.796 -2.373 114.526 1.00 30.00 C ATOM 489 CG2 VAL A 90 36.900 -0.357 115.559 1.00 29.74 C ATOM 490 H VAL A 90 36.661 1.424 113.088 1.00 0.00 H ATOM 491 N LYS A 91 35.647 -0.947 111.224 1.00 22.27 N ATOM 492 CA LYS A 91 35.026 -1.596 110.073 1.00 22.97 C ATOM 493 C LYS A 91 35.817 -1.458 108.822 1.00 20.44 C ATOM 494 O LYS A 91 35.865 -2.403 107.990 1.00 20.48 O ATOM 495 CB LYS A 91 33.601 -1.079 109.859 1.00 20.98 C ATOM 496 CG LYS A 91 32.681 -1.525 110.943 1.00 22.86 C ATOM 497 CD LYS A 91 31.272 -1.169 110.568 1.00 26.54 C ATOM 498 CE LYS A 91 30.229 -1.892 111.402 1.00 33.42 C ATOM 499 NZ LYS A 91 29.110 -0.891 111.566 1.00 35.98 N ATOM 500 HZ1 LYS A 91 29.472 -0.044 112.048 1.00 0.00 H ATOM 501 HZ2 LYS A 91 28.742 -0.627 110.630 1.00 0.00 H ATOM 502 HZ3 LYS A 91 28.348 -1.315 112.132 1.00 0.00 H ATOM 503 H LYS A 91 35.252 -0.051 111.576 1.00 0.00 H ATOM 504 N LEU A 92 36.511 -0.336 108.678 1.00 18.74 N ATOM 505 CA LEU A 92 37.374 -0.162 107.508 1.00 20.00 C ATOM 506 C LEU A 92 38.725 -0.826 107.703 1.00 18.78 C ATOM 507 O LEU A 92 39.507 -0.868 106.790 1.00 18.28 O ATOM 508 CB LEU A 92 37.586 1.316 107.208 1.00 21.35 C ATOM 509 CG LEU A 92 36.319 2.060 106.737 1.00 22.21 C ATOM 510 CD1 LEU A 92 36.491 3.596 106.777 1.00 20.97 C ATOM 511 CD2 LEU A 92 35.842 1.651 105.359 1.00 24.08 C ATOM 512 H LEU A 92 36.442 0.416 109.393 1.00 0.00 H ATOM 513 N ASN A 93 39.018 -1.262 108.932 1.00 19.35 N ATOM 514 CA ASN A 93 40.287 -1.927 109.274 1.00 18.19 C ATOM 515 C ASN A 93 41.498 -1.012 109.055 1.00 19.30 C ATOM 516 O ASN A 93 42.367 -1.263 108.225 1.00 19.34 O ATOM 517 CB ASN A 93 40.486 -3.292 108.609 1.00 18.08 C ATOM 518 CG ASN A 93 41.688 -4.013 109.176 1.00 19.04 C ATOM 519 OD1 ASN A 93 41.991 -3.829 110.358 1.00 24.28 O ATOM 520 ND2 ASN A 93 42.364 -4.809 108.380 1.00 18.24 N ATOM 521 HD22 ASN A 93 42.067 -4.930 107.391 1.00 0.00 H ATOM 522 HD21 ASN A 93 43.197 -5.319 108.739 1.00 0.00 H ATOM 523 H ASN A 93 38.314 -1.125 109.685 1.00 0.00 H ATOM 524 N LEU A 94 41.479 0.081 109.795 1.00 19.03 N ATOM 525 CA LEU A 94 42.482 1.110 109.734 1.00 19.62 C ATOM 526 C LEU A 94 43.068 1.261 111.160 1.00 22.28 C ATOM 527 O LEU A 94 42.792 2.215 111.862 1.00 21.59 O ATOM 528 CB LEU A 94 41.807 2.431 109.326 1.00 21.83 C ATOM 529 CG LEU A 94 40.978 2.415 108.047 1.00 19.54 C ATOM 530 CD1 LEU A 94 40.350 3.810 107.923 1.00 22.19 C ATOM 531 CD2 LEU A 94 41.815 2.043 106.856 1.00 20.11 C ATOM 532 H LEU A 94 40.691 0.206 110.462 1.00 0.00 H ATOM 533 N PRO A 95 43.869 0.290 111.606 1.00 23.20 N ATOM 534 CA PRO A 95 44.297 0.336 113.036 1.00 26.88 C ATOM 535 C PRO A 95 45.135 1.577 113.410 1.00 26.41 C ATOM 536 O PRO A 95 45.189 1.905 114.561 1.00 25.74 O ATOM 537 CB PRO A 95 45.193 -0.911 113.172 1.00 27.47 C ATOM 538 CG PRO A 95 44.909 -1.748 111.958 1.00 30.00 C ATOM 539 CD PRO A 95 44.377 -0.888 110.882 1.00 26.43 C ATOM 540 N ASP A 96 45.774 2.192 112.415 1.00 23.51 N ATOM 541 CA ASP A 96 46.604 3.384 112.564 1.00 25.80 C ATOM 542 C ASP A 96 45.897 4.717 112.302 1.00 24.17 C ATOM 543 O ASP A 96 46.457 5.752 112.607 1.00 23.31 O ATOM 544 CB ASP A 96 47.796 3.275 111.625 1.00 27.26 C ATOM 545 CG ASP A 96 47.365 3.247 110.187 1.00 33.70 C ATOM 546 OD1 ASP A 96 46.138 2.903 109.889 1.00 37.92 O ATOM 547 OD2 ASP A 96 48.233 3.547 109.354 1.00 39.13 O ATOM 548 H ASP A 96 45.674 1.793 111.460 1.00 0.00 H ATOM 549 N TYR A 97 44.653 4.707 111.829 1.00 22.60 N ATOM 550 CA TYR A 97 43.985 5.968 111.482 1.00 19.15 C ATOM 551 C TYR A 97 44.023 6.981 112.630 1.00 22.94 C ATOM 552 O TYR A 97 44.422 8.135 112.432 1.00 23.01 O ATOM 553 CB TYR A 97 42.548 5.714 111.048 1.00 18.60 C ATOM 554 CG TYR A 97 41.915 6.969 110.452 1.00 18.55 C ATOM 555 CD1 TYR A 97 42.118 7.298 109.132 1.00 18.33 C ATOM 556 CD2 TYR A 97 41.189 7.848 111.251 1.00 17.61 C ATOM 557 CE1 TYR A 97 41.558 8.464 108.568 1.00 19.12 C ATOM 558 CE2 TYR A 97 40.664 9.017 110.755 1.00 18.11 C ATOM 559 CZ TYR A 97 40.834 9.347 109.419 1.00 19.44 C ATOM 560 OH TYR A 97 40.249 10.520 108.994 1.00 19.93 O ATOM 561 HH TYR A 97 40.436 10.650 108.031 1.00 0.00 H ATOM 562 H TYR A 97 44.153 3.804 111.705 1.00 0.00 H ATOM 563 N TYR A 98 43.554 6.567 113.826 1.00 23.31 N ATOM 564 CA TYR A 98 43.330 7.492 114.906 1.00 26.26 C ATOM 565 C TYR A 98 44.640 7.712 115.668 1.00 28.57 C ATOM 566 O TYR A 98 44.690 8.567 116.509 1.00 31.57 O ATOM 567 CB TYR A 98 42.137 7.057 115.753 1.00 25.34 C ATOM 568 CG TYR A 98 40.788 7.323 115.092 1.00 25.32 C ATOM 569 CD1 TYR A 98 40.323 8.594 114.977 1.00 24.78 C ATOM 570 CD2 TYR A 98 39.964 6.299 114.628 1.00 23.44 C ATOM 571 CE1 TYR A 98 39.089 8.882 114.399 1.00 25.00 C ATOM 572 CE2 TYR A 98 38.694 6.578 114.069 1.00 20.57 C ATOM 573 CZ TYR A 98 38.279 7.896 113.956 1.00 24.92 C ATOM 574 OH TYR A 98 37.063 8.325 113.407 1.00 22.66 O ATOM 575 HH TYR A 98 37.005 8.028 112.464 1.00 0.00 H ATOM 576 H TYR A 98 43.350 5.557 113.970 1.00 0.00 H ATOM 577 N LYS A 99 45.700 7.005 115.284 1.00 29.02 N ATOM 578 CA LYS A 99 47.050 7.332 115.692 1.00 32.60 C ATOM 579 C LYS A 99 47.650 8.439 114.859 1.00 32.63 C ATOM 580 O LYS A 99 48.410 9.218 115.370 1.00 36.72 O ATOM 581 CB LYS A 99 47.983 6.135 115.565 1.00 37.16 C ATOM 582 CG LYS A 99 47.664 5.019 116.501 1.00 41.82 C ATOM 583 CD LYS A 99 48.913 4.167 116.764 1.00 49.91 C ATOM 584 CE LYS A 99 49.008 2.951 115.869 1.00 56.01 C ATOM 585 NZ LYS A 99 48.150 1.879 116.444 1.00 54.65 N ATOM 586 HZ1 LYS A 99 48.484 1.645 117.401 1.00 0.00 H ATOM 587 HZ2 LYS A 99 47.166 2.212 116.491 1.00 0.00 H ATOM 588 HZ3 LYS A 99 48.203 1.033 115.841 1.00 0.00 H ATOM 589 H LYS A 99 45.552 6.183 114.665 1.00 0.00 H ATOM 590 N ILE A 100 47.384 8.453 113.560 1.00 28.16 N ATOM 591 CA ILE A 100 47.945 9.449 112.631 1.00 28.31 C ATOM 592 C ILE A 100 47.095 10.738 112.577 1.00 29.67 C ATOM 593 O ILE A 100 47.628 11.827 112.535 1.00 28.30 O ATOM 594 CB ILE A 100 48.027 8.866 111.247 1.00 27.17 C ATOM 595 CG1 ILE A 100 49.010 7.662 111.255 1.00 29.16 C ATOM 596 CG2 ILE A 100 48.327 9.877 110.153 1.00 28.03 C ATOM 597 CD1 ILE A 100 48.881 6.879 109.973 1.00 33.48 C ATOM 598 H ILE A 100 46.748 7.724 113.178 1.00 0.00 H ATOM 599 N ILE A 101 45.778 10.577 112.542 1.00 23.48 N ATOM 600 CA ILE A 101 44.887 11.700 112.412 1.00 24.11 C ATOM 601 C ILE A 101 44.565 12.168 113.803 1.00 24.99 C ATOM 602 O ILE A 101 43.798 11.542 114.550 1.00 27.18 O ATOM 603 CB ILE A 101 43.638 11.276 111.612 1.00 21.65 C ATOM 604 CG1 ILE A 101 44.024 10.858 110.201 1.00 21.25 C ATOM 605 CG2 ILE A 101 42.616 12.417 111.557 1.00 23.38 C ATOM 606 CD1 ILE A 101 44.745 11.940 109.387 1.00 24.11 C ATOM 607 H ILE A 101 45.381 9.618 112.610 1.00 0.00 H ATOM 608 N LYS A 102 45.153 13.297 114.140 1.00 28.11 N ATOM 609 CA LYS A 102 45.014 13.874 115.437 1.00 32.84 C ATOM 610 C LYS A 102 43.700 14.660 115.687 1.00 27.93 C ATOM 611 O LYS A 102 43.276 14.760 116.783 1.00 27.48 O ATOM 612 CB LYS A 102 46.210 14.782 115.649 1.00 40.94 C ATOM 613 CG LYS A 102 47.538 14.030 115.692 1.00 48.79 C ATOM 614 CD LYS A 102 47.646 13.115 116.908 1.00 55.25 C ATOM 615 CE LYS A 102 48.925 12.311 116.847 1.00 63.38 C ATOM 616 NZ LYS A 102 48.966 11.391 118.009 1.00 72.79 N ATOM 617 HZ1 LYS A 102 48.938 11.945 118.889 1.00 0.00 H ATOM 618 HZ2 LYS A 102 48.146 10.753 117.973 1.00 0.00 H ATOM 619 HZ3 LYS A 102 49.843 10.833 117.977 1.00 0.00 H ATOM 620 H LYS A 102 45.740 13.786 113.435 1.00 0.00 H ATOM 621 N THR A 103 43.067 15.190 114.656 1.00 24.55 N ATOM 622 CA THR A 103 41.800 15.945 114.796 1.00 24.48 C ATOM 623 C THR A 103 40.814 15.380 113.776 1.00 21.48 C ATOM 624 O THR A 103 40.651 15.910 112.670 1.00 21.96 O ATOM 625 CB THR A 103 42.062 17.452 114.597 1.00 26.40 C ATOM 626 OG1 THR A 103 43.040 17.848 115.565 1.00 27.28 O ATOM 627 CG2 THR A 103 40.745 18.246 114.798 1.00 27.42 C ATOM 628 HG1 THR A 103 42.691 17.673 116.475 1.00 0.00 H ATOM 629 H THR A 103 43.475 15.072 113.707 1.00 0.00 H ATOM 630 N PRO A 104 40.242 14.222 114.097 1.00 19.90 N ATOM 631 CA PRO A 104 39.241 13.653 113.164 1.00 19.92 C ATOM 632 C PRO A 104 38.093 14.609 112.992 1.00 18.78 C ATOM 633 O PRO A 104 37.777 15.376 113.900 1.00 17.96 O ATOM 634 CB PRO A 104 38.760 12.371 113.831 1.00 21.54 C ATOM 635 CG PRO A 104 39.557 12.215 115.076 1.00 23.39 C ATOM 636 CD PRO A 104 40.456 13.383 115.292 1.00 21.75 C ATOM 637 N MET A 105 37.557 14.635 111.813 1.00 17.04 N ATOM 638 CA MET A 105 36.393 15.452 111.540 1.00 18.90 C ATOM 639 C MET A 105 35.630 14.875 110.364 1.00 18.87 C ATOM 640 O MET A 105 36.206 14.226 109.491 1.00 20.32 O ATOM 641 CB MET A 105 36.846 16.888 111.268 1.00 19.41 C ATOM 642 CG MET A 105 35.715 17.876 111.087 1.00 21.35 C ATOM 643 SD MET A 105 34.582 17.932 112.477 1.00 21.42 S ATOM 644 CE MET A 105 35.674 18.120 113.857 1.00 21.62 C ATOM 645 H MET A 105 37.969 14.060 111.051 1.00 0.00 H ATOM 646 N ASP A 106 34.313 15.128 110.346 1.00 16.96 N ATOM 647 CA ASP A 106 33.384 14.641 109.362 1.00 15.93 C ATOM 648 C ASP A 106 32.187 15.600 109.274 1.00 16.10 C ATOM 649 O ASP A 106 31.951 16.431 110.159 1.00 14.86 O ATOM 650 CB ASP A 106 32.880 13.233 109.743 1.00 16.84 C ATOM 651 CG ASP A 106 31.998 13.248 110.928 1.00 16.69 C ATOM 652 OD1 ASP A 106 32.550 13.296 112.092 1.00 19.90 O ATOM 653 OD2 ASP A 106 30.756 13.246 110.714 1.00 17.71 O ATOM 654 H ASP A 106 33.932 15.726 111.107 1.00 0.00 H ATOM 655 N MET A 107 31.452 15.525 108.191 1.00 15.83 N ATOM 656 CA MET A 107 30.317 16.421 108.017 1.00 18.51 C ATOM 657 C MET A 107 29.118 16.185 108.914 1.00 19.99 C ATOM 658 O MET A 107 28.343 17.095 109.068 1.00 19.08 O ATOM 659 CB MET A 107 29.773 16.401 106.578 1.00 19.92 C ATOM 660 CG MET A 107 30.708 16.953 105.571 1.00 24.50 C ATOM 661 SD MET A 107 29.885 17.437 104.026 1.00 25.06 S ATOM 662 CE MET A 107 29.234 15.919 103.432 1.00 20.49 C ATOM 663 H MET A 107 31.679 14.825 107.456 1.00 0.00 H ATOM 664 N GLY A 108 28.942 14.961 109.430 1.00 20.75 N ATOM 665 CA GLY A 108 27.905 14.633 110.441 1.00 19.65 C ATOM 666 C GLY A 108 28.177 15.443 111.691 1.00 19.38 C ATOM 667 O GLY A 108 27.276 16.107 112.205 1.00 20.40 O ATOM 668 H GLY A 108 29.568 14.197 109.104 1.00 0.00 H ATOM 669 N THR A 109 29.441 15.514 112.093 1.00 17.65 N ATOM 670 CA THR A 109 29.827 16.321 113.214 1.00 17.96 C ATOM 671 C THR A 109 29.645 17.812 112.922 1.00 20.07 C ATOM 672 O THR A 109 29.173 18.581 113.771 1.00 17.94 O ATOM 673 CB THR A 109 31.278 16.011 113.598 1.00 18.54 C ATOM 674 OG1 THR A 109 31.399 14.636 114.015 1.00 18.60 O ATOM 675 CG2 THR A 109 31.869 16.956 114.572 1.00 18.21 C ATOM 676 HG1 THR A 109 30.815 14.477 114.798 1.00 0.00 H ATOM 677 H THR A 109 30.167 14.972 111.583 1.00 0.00 H ATOM 678 N ILE A 110 30.051 18.237 111.725 1.00 17.95 N ATOM 679 CA ILE A 110 29.939 19.660 111.396 1.00 19.57 C ATOM 680 C ILE A 110 28.439 20.072 111.369 1.00 19.65 C ATOM 681 O ILE A 110 28.095 21.168 111.823 1.00 18.60 O ATOM 682 CB ILE A 110 30.566 19.973 110.045 1.00 19.43 C ATOM 683 CG1 ILE A 110 32.102 19.795 110.149 1.00 19.25 C ATOM 684 CG2 ILE A 110 30.231 21.430 109.641 1.00 20.47 C ATOM 685 CD1 ILE A 110 32.756 19.793 108.800 1.00 20.12 C ATOM 686 H ILE A 110 30.442 17.566 111.033 1.00 0.00 H ATOM 687 N LYS A 111 27.602 19.204 110.790 1.00 19.52 N ATOM 688 CA LYS A 111 26.160 19.466 110.737 1.00 22.43 C ATOM 689 C LYS A 111 25.582 19.679 112.151 1.00 22.24 C ATOM 690 O LYS A 111 24.829 20.637 112.383 1.00 22.83 O ATOM 691 CB LYS A 111 25.437 18.346 110.010 1.00 25.23 C ATOM 692 CG LYS A 111 23.883 18.456 109.966 1.00 29.18 C ATOM 693 CD LYS A 111 23.390 17.241 109.176 1.00 32.31 C ATOM 694 CE LYS A 111 21.875 17.255 108.941 1.00 41.19 C ATOM 695 NZ LYS A 111 21.182 16.979 110.213 1.00 39.79 N ATOM 696 HZ1 LYS A 111 21.471 16.045 110.568 1.00 0.00 H ATOM 697 HZ2 LYS A 111 21.434 17.710 110.909 1.00 0.00 H ATOM 698 HZ3 LYS A 111 20.154 16.988 110.055 1.00 0.00 H ATOM 699 H LYS A 111 27.980 18.330 110.371 1.00 0.00 H ATOM 700 N LYS A 112 25.873 18.744 113.049 1.00 22.58 N ATOM 701 CA LYS A 112 25.475 18.839 114.455 1.00 23.06 C ATOM 702 C LYS A 112 25.992 20.049 115.172 1.00 23.76 C ATOM 703 O LYS A 112 25.228 20.687 115.921 1.00 22.42 O ATOM 704 CB LYS A 112 25.866 17.571 115.211 1.00 25.94 C ATOM 705 CG LYS A 112 25.052 16.378 114.777 1.00 31.59 C ATOM 706 CD LYS A 112 25.310 15.176 115.674 1.00 37.96 C ATOM 707 CE LYS A 112 24.782 13.888 115.024 1.00 44.98 C ATOM 708 NZ LYS A 112 25.242 12.708 115.817 1.00 48.47 N ATOM 709 HZ1 LYS A 112 26.282 12.688 115.835 1.00 0.00 H ATOM 710 HZ2 LYS A 112 24.879 12.782 116.789 1.00 0.00 H ATOM 711 HZ3 LYS A 112 24.885 11.836 115.377 1.00 0.00 H ATOM 712 H LYS A 112 26.407 17.907 112.739 1.00 0.00 H ATOM 713 N ARG A 113 27.265 20.415 114.926 1.00 21.78 N ATOM 714 CA ARG A 113 27.830 21.643 115.475 1.00 21.48 C ATOM 715 C ARG A 113 27.080 22.872 115.025 1.00 20.84 C ATOM 716 O ARG A 113 26.842 23.770 115.828 1.00 25.08 O ATOM 717 CB ARG A 113 29.319 21.782 115.166 1.00 20.15 C ATOM 718 CG ARG A 113 30.145 20.801 115.955 1.00 21.95 C ATOM 719 CD ARG A 113 31.635 20.779 115.547 1.00 22.06 C ATOM 720 NE ARG A 113 32.400 20.014 116.535 1.00 18.83 N ATOM 721 CZ ARG A 113 33.717 20.030 116.725 1.00 22.12 C ATOM 722 NH1 ARG A 113 34.533 20.823 116.034 1.00 22.31 N ATOM 723 NH2 ARG A 113 34.230 19.292 117.706 1.00 22.83 N ATOM 724 HE ARG A 113 31.852 19.388 117.158 1.00 0.00 H ATOM 725 HH12 ARG A 113 35.557 20.802 116.217 1.00 0.00 H ATOM 726 HH11 ARG A 113 34.147 21.464 115.312 1.00 0.00 H ATOM 727 HH22 ARG A 113 35.257 19.289 117.872 1.00 0.00 H ATOM 728 HH21 ARG A 113 33.604 18.718 118.306 1.00 0.00 H ATOM 729 H ARG A 113 27.861 19.806 114.329 1.00 0.00 H ATOM 730 N LEU A 114 26.742 22.935 113.739 1.00 20.49 N ATOM 731 CA LEU A 114 26.020 24.022 113.209 1.00 21.51 C ATOM 732 C LEU A 114 24.599 24.069 113.780 1.00 23.83 C ATOM 733 O LEU A 114 24.131 25.123 114.191 1.00 27.56 O ATOM 734 CB LEU A 114 25.934 23.952 111.687 1.00 22.07 C ATOM 735 CG LEU A 114 27.224 24.339 110.975 1.00 22.39 C ATOM 736 CD1 LEU A 114 27.197 23.916 109.528 1.00 20.88 C ATOM 737 CD2 LEU A 114 27.503 25.860 111.035 1.00 23.19 C ATOM 738 H LEU A 114 27.020 22.158 113.106 1.00 0.00 H ATOM 739 N GLU A 115 23.929 22.932 113.779 1.00 24.92 N ATOM 740 CA GLU A 115 22.575 22.831 114.337 1.00 26.63 C ATOM 741 C GLU A 115 22.535 23.202 115.783 1.00 30.68 C ATOM 742 O GLU A 115 21.507 23.699 116.234 1.00 28.05 O ATOM 743 CB GLU A 115 22.004 21.427 114.169 1.00 26.60 C ATOM 744 CG GLU A 115 21.566 21.194 112.741 1.00 31.13 C ATOM 745 CD GLU A 115 21.386 19.693 112.394 1.00 32.19 C ATOM 746 OE1 GLU A 115 21.638 18.780 113.238 1.00 41.24 O ATOM 747 OE2 GLU A 115 21.065 19.446 111.224 1.00 36.74 O ATOM 748 H GLU A 115 24.373 22.084 113.372 1.00 0.00 H ATOM 749 N ASN A 116 23.607 22.939 116.519 1.00 29.59 N ATOM 750 CA ASN A 116 23.666 23.238 117.966 1.00 32.06 C ATOM 751 C ASN A 116 24.304 24.568 118.302 1.00 28.50 C ATOM 752 O ASN A 116 24.580 24.813 119.475 1.00 30.06 O ATOM 753 CB ASN A 116 24.443 22.161 118.719 1.00 31.99 C ATOM 754 CG ASN A 116 23.744 20.821 118.716 1.00 37.74 C ATOM 755 OD1 ASN A 116 22.556 20.707 118.294 1.00 37.11 O ATOM 756 ND2 ASN A 116 24.499 19.755 119.127 1.00 35.26 N ATOM 757 HD22 ASN A 116 25.471 19.906 119.465 1.00 0.00 H ATOM 758 HD21 ASN A 116 24.100 18.795 119.101 1.00 0.00 H ATOM 759 H ASN A 116 24.435 22.507 116.062 1.00 0.00 H ATOM 760 N ASN A 117 24.527 25.423 117.319 1.00 27.41 N ATOM 761 CA ASN A 117 25.194 26.730 117.514 1.00 28.05 C ATOM 762 C ASN A 117 26.516 26.605 118.282 1.00 29.15 C ATOM 763 O ASN A 117 26.869 27.452 119.122 1.00 29.17 O ATOM 764 CB ASN A 117 24.223 27.748 118.196 1.00 32.41 C ATOM 765 CG ASN A 117 22.988 28.004 117.351 1.00 36.06 C ATOM 766 OD1 ASN A 117 23.073 28.473 116.221 1.00 45.07 O ATOM 767 ND2 ASN A 117 21.857 27.606 117.853 1.00 39.62 N ATOM 768 HD22 ASN A 117 21.825 27.213 118.816 1.00 0.00 H ATOM 769 HD21 ASN A 117 20.984 27.680 117.292 1.00 0.00 H ATOM 770 H ASN A 117 24.218 25.164 116.360 1.00 0.00 H ATOM 771 N TYR A 118 27.277 25.555 117.942 1.00 27.83 N ATOM 772 CA TYR A 118 28.523 25.251 118.584 1.00 25.64 C ATOM 773 C TYR A 118 29.630 26.209 118.222 1.00 23.64 C ATOM 774 O TYR A 118 30.490 26.508 119.034 1.00 26.68 O ATOM 775 CB TYR A 118 28.958 23.829 118.200 1.00 24.89 C ATOM 776 CG TYR A 118 30.327 23.398 118.695 1.00 25.27 C ATOM 777 CD1 TYR A 118 30.459 22.766 119.929 1.00 28.69 C ATOM 778 CD2 TYR A 118 31.473 23.500 117.892 1.00 24.89 C ATOM 779 CE1 TYR A 118 31.702 22.338 120.377 1.00 28.34 C ATOM 780 CE2 TYR A 118 32.720 23.045 118.337 1.00 26.06 C ATOM 781 CZ TYR A 118 32.811 22.491 119.578 1.00 27.49 C ATOM 782 OH TYR A 118 33.987 22.097 120.091 1.00 29.13 O ATOM 783 HH TYR A 118 33.842 21.723 120.996 1.00 0.00 H ATOM 784 H TYR A 118 26.949 24.932 117.177 1.00 0.00 H ATOM 785 N TYR A 119 29.660 26.668 116.995 1.00 21.71 N ATOM 786 CA TYR A 119 30.719 27.518 116.558 1.00 24.52 C ATOM 787 C TYR A 119 30.597 29.010 117.006 1.00 29.48 C ATOM 788 O TYR A 119 29.526 29.597 116.982 1.00 28.72 O ATOM 789 CB TYR A 119 30.707 27.504 115.036 1.00 23.43 C ATOM 790 CG TYR A 119 31.052 26.162 114.436 1.00 23.36 C ATOM 791 CD1 TYR A 119 32.337 25.620 114.597 1.00 23.75 C ATOM 792 CD2 TYR A 119 30.138 25.484 113.655 1.00 21.97 C ATOM 793 CE1 TYR A 119 32.648 24.412 114.021 1.00 24.66 C ATOM 794 CE2 TYR A 119 30.461 24.274 113.101 1.00 24.12 C ATOM 795 CZ TYR A 119 31.711 23.762 113.291 1.00 22.66 C ATOM 796 OH TYR A 119 31.969 22.573 112.742 1.00 24.10 O ATOM 797 HH TYR A 119 32.901 22.311 112.949 1.00 0.00 H ATOM 798 H TYR A 119 28.902 26.409 116.331 1.00 0.00 H ATOM 799 N TRP A 120 31.721 29.626 117.341 1.00 29.55 N ATOM 800 CA TRP A 120 31.735 31.053 117.722 1.00 36.21 C ATOM 801 C TRP A 120 31.712 31.932 116.461 1.00 29.63 C ATOM 802 O TRP A 120 31.118 32.998 116.475 1.00 27.98 O ATOM 803 CB TRP A 120 32.852 31.377 118.749 1.00 42.13 C ATOM 804 CG TRP A 120 32.703 32.760 119.546 1.00 55.28 C ATOM 805 CD1 TRP A 120 33.714 33.643 119.750 1.00 73.13 C ATOM 806 CD2 TRP A 120 31.556 33.348 120.213 1.00 73.90 C ATOM 807 NE1 TRP A 120 33.303 34.751 120.429 1.00 66.97 N ATOM 808 CE2 TRP A 120 31.980 34.604 120.739 1.00 76.40 C ATOM 809 CE3 TRP A 120 30.210 32.978 120.374 1.00 89.54 C ATOM 810 CZ2 TRP A 120 31.111 35.479 121.435 1.00 80.81 C ATOM 811 CZ3 TRP A 120 29.327 33.875 121.074 1.00 87.74 C ATOM 812 CH2 TRP A 120 29.795 35.097 121.592 1.00 85.77 C ATOM 813 HE1 TRP A 120 33.896 35.570 120.671 1.00 0.00 H ATOM 814 H TRP A 120 32.614 29.093 117.336 1.00 0.00 H ATOM 815 N ASN A 121 32.236 31.466 115.351 1.00 27.79 N ATOM 816 CA ASN A 121 32.138 32.179 114.093 1.00 27.97 C ATOM 817 C ASN A 121 32.340 31.249 112.940 1.00 27.87 C ATOM 818 O ASN A 121 32.681 30.053 113.138 1.00 25.23 O ATOM 819 CB ASN A 121 33.152 33.336 114.039 1.00 31.44 C ATOM 820 CG ASN A 121 34.601 32.875 114.245 1.00 36.82 C ATOM 821 OD1 ASN A 121 35.031 31.776 113.796 1.00 30.77 O ATOM 822 ND2 ASN A 121 35.375 33.722 114.925 1.00 38.51 N ATOM 823 HD22 ASN A 121 34.981 34.618 115.278 1.00 0.00 H ATOM 824 HD21 ASN A 121 36.372 33.487 115.102 1.00 0.00 H ATOM 825 H ASN A 121 32.738 30.555 115.375 1.00 0.00 H ATOM 826 N ALA A 122 32.154 31.784 111.736 1.00 26.74 N ATOM 827 CA ALA A 122 32.223 30.974 110.545 1.00 27.36 C ATOM 828 C ALA A 122 33.644 30.422 110.268 1.00 27.16 C ATOM 829 O ALA A 122 33.783 29.341 109.669 1.00 24.29 O ATOM 830 CB ALA A 122 31.778 31.778 109.366 1.00 29.58 C ATOM 831 H ALA A 122 31.956 32.802 111.653 1.00 0.00 H ATOM 832 N GLN A 123 34.681 31.162 110.673 1.00 25.35 N ATOM 833 CA GLN A 123 36.054 30.675 110.467 1.00 27.69 C ATOM 834 C GLN A 123 36.327 29.360 111.187 1.00 23.82 C ATOM 835 O GLN A 123 37.030 28.504 110.620 1.00 23.40 O ATOM 836 CB GLN A 123 37.138 31.720 110.834 1.00 32.06 C ATOM 837 CG GLN A 123 37.365 32.767 109.755 1.00 42.67 C ATOM 838 CD GLN A 123 37.520 32.194 108.312 1.00 49.24 C ATOM 839 OE1 GLN A 123 38.269 31.208 108.042 1.00 52.01 O ATOM 840 NE2 GLN A 123 36.816 32.844 107.364 1.00 46.42 N ATOM 841 HE22 GLN A 123 36.212 33.649 107.625 1.00 0.00 H ATOM 842 HE21 GLN A 123 36.877 32.540 106.371 1.00 0.00 H ATOM 843 H GLN A 123 34.518 32.080 111.133 1.00 0.00 H ATOM 844 N GLU A 124 35.801 29.197 112.398 1.00 22.55 N ATOM 845 CA GLU A 124 35.955 27.958 113.050 1.00 29.83 C ATOM 846 C GLU A 124 35.258 26.746 112.398 1.00 25.54 C ATOM 847 O GLU A 124 35.809 25.631 112.452 1.00 24.35 O ATOM 848 CB GLU A 124 35.826 28.024 114.566 1.00 35.82 C ATOM 849 CG GLU A 124 34.530 28.294 115.162 1.00 45.15 C ATOM 850 CD GLU A 124 34.471 27.823 116.618 1.00 43.71 C ATOM 851 OE1 GLU A 124 34.897 26.700 117.027 1.00 45.72 O ATOM 852 OE2 GLU A 124 33.916 28.587 117.365 1.00 37.85 O ATOM 853 H GLU A 124 35.283 29.974 112.857 1.00 0.00 H ATOM 854 N CYS A 125 34.146 27.010 111.711 1.00 24.42 N ATOM 855 CA CYS A 125 33.448 25.994 110.954 1.00 23.57 C ATOM 856 C CYS A 125 34.217 25.661 109.694 1.00 22.85 C ATOM 857 O CYS A 125 34.412 24.494 109.321 1.00 21.10 O ATOM 858 CB CYS A 125 32.015 26.449 110.631 1.00 24.07 C ATOM 859 SG CYS A 125 31.093 25.347 109.559 1.00 23.91 S ATOM 860 H CYS A 125 33.768 27.979 111.720 1.00 0.00 H ATOM 861 N ILE A 126 34.634 26.691 108.988 1.00 19.90 N ATOM 862 CA ILE A 126 35.484 26.478 107.822 1.00 20.73 C ATOM 863 C ILE A 126 36.737 25.669 108.153 1.00 19.02 C ATOM 864 O ILE A 126 37.109 24.795 107.393 1.00 20.18 O ATOM 865 CB ILE A 126 35.842 27.832 107.162 1.00 24.04 C ATOM 866 CG1 ILE A 126 34.580 28.415 106.486 1.00 24.10 C ATOM 867 CG2 ILE A 126 36.932 27.698 106.115 1.00 23.91 C ATOM 868 CD1 ILE A 126 34.650 29.935 106.252 1.00 25.99 C ATOM 869 H ILE A 126 34.358 27.656 109.261 1.00 0.00 H ATOM 870 N GLN A 127 37.376 25.929 109.283 1.00 20.34 N ATOM 871 CA GLN A 127 38.536 25.192 109.707 1.00 21.49 C ATOM 872 C GLN A 127 38.127 23.683 109.830 1.00 20.76 C ATOM 873 O GLN A 127 38.909 22.803 109.500 1.00 18.93 O ATOM 874 CB GLN A 127 39.069 25.706 111.051 1.00 25.04 C ATOM 875 CG GLN A 127 40.264 24.913 111.612 1.00 32.28 C ATOM 876 CD GLN A 127 41.395 24.878 110.587 1.00 38.53 C ATOM 877 OE1 GLN A 127 41.974 25.932 110.286 1.00 40.79 O ATOM 878 NE2 GLN A 127 41.678 23.688 109.997 1.00 41.71 N ATOM 879 HE22 GLN A 127 41.165 22.830 110.284 1.00 0.00 H ATOM 880 HE21 GLN A 127 42.408 23.634 109.258 1.00 0.00 H ATOM 881 H GLN A 127 37.025 26.698 109.889 1.00 0.00 H ATOM 882 N ASP A 128 36.951 23.393 110.328 1.00 19.10 N ATOM 883 CA ASP A 128 36.527 21.962 110.485 1.00 20.72 C ATOM 884 C ASP A 128 36.422 21.298 109.112 1.00 18.77 C ATOM 885 O ASP A 128 36.847 20.193 108.920 1.00 17.94 O ATOM 886 CB ASP A 128 35.219 21.813 111.253 1.00 20.94 C ATOM 887 CG ASP A 128 35.410 21.831 112.743 1.00 24.09 C ATOM 888 OD1 ASP A 128 36.573 21.782 113.218 1.00 24.63 O ATOM 889 OD2 ASP A 128 34.364 21.852 113.462 1.00 24.50 O ATOM 890 H ASP A 128 36.308 24.158 110.616 1.00 0.00 H ATOM 891 N PHE A 129 35.797 21.946 108.170 1.00 19.18 N ATOM 892 CA PHE A 129 35.768 21.399 106.834 1.00 18.10 C ATOM 893 C PHE A 129 37.196 21.172 106.263 1.00 19.36 C ATOM 894 O PHE A 129 37.478 20.110 105.594 1.00 18.37 O ATOM 895 CB PHE A 129 35.051 22.293 105.848 1.00 19.12 C ATOM 896 CG PHE A 129 33.552 22.190 105.840 1.00 19.40 C ATOM 897 CD1 PHE A 129 32.906 21.216 105.109 1.00 20.64 C ATOM 898 CD2 PHE A 129 32.808 23.092 106.561 1.00 20.12 C ATOM 899 CE1 PHE A 129 31.510 21.145 105.097 1.00 22.72 C ATOM 900 CE2 PHE A 129 31.407 23.059 106.547 1.00 21.06 C ATOM 901 CZ PHE A 129 30.767 22.112 105.785 1.00 22.05 C ATOM 902 H PHE A 129 35.324 22.848 108.378 1.00 0.00 H ATOM 903 N ASN A 130 38.054 22.187 106.398 1.00 18.80 N ATOM 904 CA ASN A 130 39.440 22.008 105.934 1.00 21.82 C ATOM 905 C ASN A 130 40.113 20.812 106.602 1.00 20.21 C ATOM 906 O ASN A 130 40.848 20.096 105.965 1.00 18.78 O ATOM 907 CB ASN A 130 40.268 23.243 106.250 1.00 25.65 C ATOM 908 CG ASN A 130 41.646 23.184 105.610 1.00 35.18 C ATOM 909 OD1 ASN A 130 41.817 23.362 104.352 1.00 43.27 O ATOM 910 ND2 ASN A 130 42.651 22.866 106.444 1.00 41.51 N ATOM 911 HD22 ASN A 130 42.463 22.732 107.458 1.00 0.00 H ATOM 912 HD21 ASN A 130 43.617 22.754 106.075 1.00 0.00 H ATOM 913 H ASN A 130 37.749 23.086 106.823 1.00 0.00 H ATOM 914 N THR A 131 39.932 20.664 107.919 1.00 18.25 N ATOM 915 CA THR A 131 40.458 19.506 108.624 1.00 20.00 C ATOM 916 C THR A 131 39.965 18.193 108.091 1.00 21.30 C ATOM 917 O THR A 131 40.785 17.253 107.885 1.00 18.49 O ATOM 918 CB THR A 131 40.135 19.609 110.096 1.00 21.96 C ATOM 919 OG1 THR A 131 40.764 20.782 110.557 1.00 22.47 O ATOM 920 CG2 THR A 131 40.648 18.419 110.850 1.00 23.39 C ATOM 921 HG1 THR A 131 41.741 20.711 110.411 1.00 0.00 H ATOM 922 H THR A 131 39.406 21.389 108.448 1.00 0.00 H ATOM 923 N MET A 132 38.663 18.152 107.765 1.00 19.10 N ATOM 924 CA MET A 132 38.089 16.957 107.207 1.00 19.01 C ATOM 925 C MET A 132 38.777 16.580 105.886 1.00 18.30 C ATOM 926 O MET A 132 39.174 15.425 105.697 1.00 19.35 O ATOM 927 CB MET A 132 36.588 17.101 106.990 1.00 16.65 C ATOM 928 CG MET A 132 35.902 15.931 106.274 1.00 17.84 C ATOM 929 SD MET A 132 34.140 16.299 106.054 1.00 19.46 S ATOM 930 CE MET A 132 34.255 17.297 104.561 1.00 23.66 C ATOM 931 H MET A 132 38.066 18.990 107.917 1.00 0.00 H ATOM 932 N PHE A 133 38.936 17.544 104.982 1.00 18.28 N ATOM 933 CA PHE A 133 39.564 17.251 103.687 1.00 18.67 C ATOM 934 C PHE A 133 41.014 16.861 103.888 1.00 17.63 C ATOM 935 O PHE A 133 41.487 15.846 103.333 1.00 18.53 O ATOM 936 CB PHE A 133 39.414 18.438 102.731 1.00 18.58 C ATOM 937 CG PHE A 133 38.021 18.753 102.391 1.00 22.50 C ATOM 938 CD1 PHE A 133 37.194 17.774 101.847 1.00 21.77 C ATOM 939 CD2 PHE A 133 37.519 20.057 102.581 1.00 24.69 C ATOM 940 CE1 PHE A 133 35.879 18.051 101.506 1.00 23.56 C ATOM 941 CE2 PHE A 133 36.188 20.333 102.220 1.00 23.71 C ATOM 942 CZ PHE A 133 35.401 19.327 101.690 1.00 23.36 C ATOM 943 H PHE A 133 38.614 18.510 105.194 1.00 0.00 H ATOM 944 N THR A 134 41.695 17.621 104.716 1.00 18.02 N ATOM 945 CA THR A 134 43.113 17.375 105.007 1.00 18.39 C ATOM 946 C THR A 134 43.367 15.993 105.585 1.00 18.75 C ATOM 947 O THR A 134 44.303 15.290 105.146 1.00 16.05 O ATOM 948 CB THR A 134 43.682 18.396 105.951 1.00 19.23 C ATOM 949 OG1 THR A 134 43.662 19.674 105.338 1.00 20.42 O ATOM 950 CG2 THR A 134 45.116 18.064 106.361 1.00 20.85 C ATOM 951 HG1 THR A 134 44.037 20.344 105.962 1.00 0.00 H ATOM 952 H THR A 134 41.216 18.420 105.179 1.00 0.00 H ATOM 953 N ASN A 135 42.534 15.569 106.523 1.00 18.68 N ATOM 954 CA ASN A 135 42.673 14.208 107.053 1.00 18.13 C ATOM 955 C ASN A 135 42.610 13.183 106.008 1.00 17.75 C ATOM 956 O ASN A 135 43.390 12.207 106.026 1.00 18.59 O ATOM 957 CB ASN A 135 41.623 13.901 108.080 1.00 19.58 C ATOM 958 CG ASN A 135 41.752 14.749 109.332 1.00 19.93 C ATOM 959 OD1 ASN A 135 42.811 15.375 109.658 1.00 19.48 O ATOM 960 ND2 ASN A 135 40.622 14.813 110.050 1.00 21.32 N ATOM 961 HD22 ASN A 135 39.781 14.283 109.744 1.00 0.00 H ATOM 962 HD21 ASN A 135 40.586 15.392 110.913 1.00 0.00 H ATOM 963 H ASN A 135 41.786 16.197 106.882 1.00 0.00 H ATOM 964 N CYS A 136 41.707 13.356 105.058 1.00 17.00 N ATOM 965 CA CYS A 136 41.544 12.377 103.994 1.00 19.33 C ATOM 966 C CYS A 136 42.787 12.355 103.082 1.00 21.51 C ATOM 967 O CYS A 136 43.264 11.265 102.658 1.00 17.79 O ATOM 968 CB CYS A 136 40.319 12.658 103.219 1.00 18.69 C ATOM 969 SG CYS A 136 39.864 11.586 101.891 1.00 20.16 S ATOM 970 H CYS A 136 41.105 14.204 105.071 1.00 0.00 H ATOM 971 N TYR A 137 43.292 13.560 102.771 1.00 21.17 N ATOM 972 CA TYR A 137 44.540 13.669 101.992 1.00 21.21 C ATOM 973 C TYR A 137 45.754 13.144 102.704 1.00 20.19 C ATOM 974 O TYR A 137 46.608 12.601 102.045 1.00 25.65 O ATOM 975 CB TYR A 137 44.801 15.133 101.560 1.00 19.98 C ATOM 976 CG TYR A 137 43.683 15.779 100.854 1.00 18.39 C ATOM 977 CD1 TYR A 137 42.872 15.091 99.950 1.00 19.87 C ATOM 978 CD2 TYR A 137 43.430 17.133 101.017 1.00 18.11 C ATOM 979 CE1 TYR A 137 41.847 15.710 99.281 1.00 19.96 C ATOM 980 CE2 TYR A 137 42.415 17.752 100.338 1.00 17.72 C ATOM 981 CZ TYR A 137 41.633 17.060 99.480 1.00 19.69 C ATOM 982 OH TYR A 137 40.637 17.717 98.789 1.00 21.49 O ATOM 983 HH TYR A 137 41.039 18.431 98.233 1.00 0.00 H ATOM 984 H TYR A 137 42.800 14.422 103.081 1.00 0.00 H ATOM 985 N ILE A 138 45.842 13.245 104.024 1.00 19.30 N ATOM 986 CA ILE A 138 47.026 12.796 104.734 1.00 22.43 C ATOM 987 C ILE A 138 46.997 11.241 104.817 1.00 22.43 C ATOM 988 O ILE A 138 48.016 10.567 104.575 1.00 19.94 O ATOM 989 CB ILE A 138 47.067 13.306 106.173 1.00 24.17 C ATOM 990 CG1 ILE A 138 47.354 14.819 106.263 1.00 31.15 C ATOM 991 CG2 ILE A 138 48.182 12.597 106.948 1.00 29.95 C ATOM 992 CD1 ILE A 138 47.017 15.325 107.712 1.00 28.32 C ATOM 993 H ILE A 138 45.049 13.653 104.559 1.00 0.00 H ATOM 994 N TYR A 139 45.827 10.679 105.124 1.00 16.99 N ATOM 995 CA TYR A 139 45.774 9.249 105.345 1.00 18.69 C ATOM 996 C TYR A 139 45.852 8.447 104.081 1.00 19.25 C ATOM 997 O TYR A 139 46.532 7.417 104.032 1.00 19.46 O ATOM 998 CB TYR A 139 44.511 8.895 106.194 1.00 18.62 C ATOM 999 CG TYR A 139 44.603 7.479 106.627 1.00 19.17 C ATOM 1000 CD1 TYR A 139 45.354 7.110 107.762 1.00 21.30 C ATOM 1001 CD2 TYR A 139 44.060 6.486 105.858 1.00 20.15 C ATOM 1002 CE1 TYR A 139 45.518 5.767 108.121 1.00 19.45 C ATOM 1003 CE2 TYR A 139 44.221 5.147 106.202 1.00 21.43 C ATOM 1004 CZ TYR A 139 44.917 4.805 107.359 1.00 21.00 C ATOM 1005 OH TYR A 139 45.041 3.460 107.656 1.00 23.14 O ATOM 1006 HH TYR A 139 45.553 3.355 108.497 1.00 0.00 H ATOM 1007 H TYR A 139 44.967 11.258 105.203 1.00 0.00 H ATOM 1008 N ASN A 140 45.165 8.934 103.050 1.00 17.84 N ATOM 1009 CA ASN A 140 45.086 8.310 101.771 1.00 17.99 C ATOM 1010 C ASN A 140 46.163 8.802 100.782 1.00 20.94 C ATOM 1011 O ASN A 140 47.071 9.499 101.203 1.00 21.26 O ATOM 1012 CB ASN A 140 43.679 8.417 101.247 1.00 17.35 C ATOM 1013 CG ASN A 140 42.684 7.780 102.234 1.00 18.32 C ATOM 1014 OD1 ASN A 140 42.794 6.579 102.528 1.00 19.17 O ATOM 1015 ND2 ASN A 140 41.819 8.598 102.841 1.00 15.68 N ATOM 1016 HD22 ASN A 140 41.763 9.598 102.560 1.00 0.00 H ATOM 1017 HD21 ASN A 140 41.201 8.235 103.595 1.00 0.00 H ATOM 1018 H ASN A 140 44.652 9.828 103.187 1.00 0.00 H ATOM 1019 N LYS A 141 46.067 8.382 99.523 1.00 21.14 N ATOM 1020 CA LYS A 141 47.152 8.607 98.550 1.00 24.13 C ATOM 1021 C LYS A 141 46.576 9.308 97.366 1.00 24.47 C ATOM 1022 O LYS A 141 45.400 9.120 97.046 1.00 21.19 O ATOM 1023 CB LYS A 141 47.873 7.312 98.124 1.00 25.99 C ATOM 1024 CG LYS A 141 48.633 6.710 99.291 1.00 33.77 C ATOM 1025 CD LYS A 141 49.786 5.815 98.847 1.00 39.68 C ATOM 1026 CE LYS A 141 50.706 5.448 100.025 1.00 48.70 C ATOM 1027 NZ LYS A 141 50.031 5.332 101.376 1.00 50.23 N ATOM 1028 HZ1 LYS A 141 49.591 6.242 101.622 1.00 0.00 H ATOM 1029 HZ2 LYS A 141 49.301 4.593 101.335 1.00 0.00 H ATOM 1030 HZ3 LYS A 141 50.739 5.082 102.096 1.00 0.00 H ATOM 1031 H LYS A 141 45.207 7.883 99.218 1.00 0.00 H ATOM 1032 N PRO A 142 47.415 10.134 96.705 1.00 24.20 N ATOM 1033 CA PRO A 142 46.977 10.793 95.498 1.00 27.26 C ATOM 1034 C PRO A 142 46.403 9.805 94.495 1.00 25.49 C ATOM 1035 O PRO A 142 46.910 8.698 94.300 1.00 27.31 O ATOM 1036 CB PRO A 142 48.266 11.423 94.961 1.00 28.82 C ATOM 1037 CG PRO A 142 49.105 11.682 96.189 1.00 28.20 C ATOM 1038 CD PRO A 142 48.834 10.436 97.019 1.00 27.01 C ATOM 1039 N GLY A 143 45.311 10.175 93.879 1.00 27.71 N ATOM 1040 CA GLY A 143 44.676 9.239 92.935 1.00 26.68 C ATOM 1041 C GLY A 143 43.728 8.216 93.568 1.00 24.74 C ATOM 1042 O GLY A 143 42.963 7.605 92.852 1.00 24.56 O ATOM 1043 H GLY A 143 44.898 11.114 94.052 1.00 0.00 H ATOM 1044 N ASP A 144 43.693 8.051 94.885 1.00 22.08 N ATOM 1045 CA ASP A 144 42.712 7.113 95.471 1.00 20.72 C ATOM 1046 C ASP A 144 41.327 7.698 95.230 1.00 21.10 C ATOM 1047 O ASP A 144 41.139 8.905 95.274 1.00 19.74 O ATOM 1048 CB ASP A 144 42.966 6.955 96.970 1.00 21.52 C ATOM 1049 CG ASP A 144 44.213 6.125 97.311 1.00 23.70 C ATOM 1050 OD1 ASP A 144 44.857 5.539 96.437 1.00 24.01 O ATOM 1051 OD2 ASP A 144 44.533 6.070 98.536 1.00 24.16 O ATOM 1052 H ASP A 144 44.349 8.576 95.498 1.00 0.00 H ATOM 1053 N ASP A 145 40.349 6.869 94.904 1.00 22.17 N ATOM 1054 CA ASP A 145 38.984 7.353 94.678 1.00 22.85 C ATOM 1055 C ASP A 145 38.467 8.243 95.793 1.00 23.72 C ATOM 1056 O ASP A 145 37.872 9.276 95.526 1.00 23.12 O ATOM 1057 CB ASP A 145 38.014 6.207 94.454 1.00 26.37 C ATOM 1058 CG ASP A 145 38.012 5.742 93.027 1.00 30.14 C ATOM 1059 OD1 ASP A 145 39.041 5.737 92.391 1.00 41.19 O ATOM 1060 OD2 ASP A 145 36.987 5.357 92.526 1.00 38.79 O ATOM 1061 H ASP A 145 40.553 5.854 94.806 1.00 0.00 H ATOM 1062 N ILE A 146 38.742 7.873 97.050 1.00 19.96 N ATOM 1063 CA ILE A 146 38.272 8.664 98.189 1.00 19.79 C ATOM 1064 C ILE A 146 38.895 10.088 98.158 1.00 19.23 C ATOM 1065 O ILE A 146 38.238 11.087 98.475 1.00 18.89 O ATOM 1066 CB ILE A 146 38.501 7.933 99.507 1.00 19.67 C ATOM 1067 CG1 ILE A 146 37.915 8.728 100.678 1.00 19.80 C ATOM 1068 CG2 ILE A 146 40.000 7.634 99.736 1.00 20.92 C ATOM 1069 CD1 ILE A 146 36.415 8.970 100.531 1.00 21.64 C ATOM 1070 H ILE A 146 39.298 7.011 97.220 1.00 0.00 H ATOM 1071 N VAL A 147 40.156 10.166 97.761 1.00 18.84 N ATOM 1072 CA VAL A 147 40.858 11.405 97.607 1.00 18.76 C ATOM 1073 C VAL A 147 40.253 12.256 96.483 1.00 17.84 C ATOM 1074 O VAL A 147 40.078 13.467 96.642 1.00 18.93 O ATOM 1075 CB VAL A 147 42.364 11.174 97.392 1.00 19.13 C ATOM 1076 CG1 VAL A 147 43.035 12.475 96.936 1.00 21.67 C ATOM 1077 CG2 VAL A 147 42.977 10.679 98.683 1.00 20.93 C ATOM 1078 H VAL A 147 40.662 9.282 97.550 1.00 0.00 H ATOM 1079 N LEU A 148 39.996 11.635 95.352 1.00 20.58 N ATOM 1080 CA LEU A 148 39.393 12.344 94.234 1.00 23.23 C ATOM 1081 C LEU A 148 37.985 12.851 94.630 1.00 21.80 C ATOM 1082 O LEU A 148 37.562 13.943 94.247 1.00 20.81 O ATOM 1083 CB LEU A 148 39.292 11.411 93.038 1.00 24.87 C ATOM 1084 CG LEU A 148 40.653 10.909 92.455 1.00 27.86 C ATOM 1085 CD1 LEU A 148 40.351 9.951 91.326 1.00 28.90 C ATOM 1086 CD2 LEU A 148 41.565 12.026 91.965 1.00 29.90 C ATOM 1087 H LEU A 148 40.227 10.625 95.256 1.00 0.00 H ATOM 1088 N MET A 149 37.260 12.053 95.405 1.00 21.44 N ATOM 1089 CA MET A 149 35.951 12.530 95.943 1.00 20.90 C ATOM 1090 C MET A 149 36.116 13.713 96.869 1.00 20.16 C ATOM 1091 O MET A 149 35.354 14.710 96.753 1.00 20.14 O ATOM 1092 CB MET A 149 35.198 11.369 96.634 1.00 22.06 C ATOM 1093 CG MET A 149 34.832 10.270 95.664 1.00 23.34 C ATOM 1094 SD MET A 149 34.295 8.764 96.542 1.00 26.93 S ATOM 1095 CE MET A 149 32.719 9.271 97.028 1.00 25.20 C ATOM 1096 H MET A 149 37.603 11.099 95.637 1.00 0.00 H ATOM 1097 N ALA A 150 37.056 13.633 97.820 1.00 19.46 N ATOM 1098 CA ALA A 150 37.330 14.755 98.689 1.00 20.89 C ATOM 1099 C ALA A 150 37.712 16.008 97.877 1.00 20.41 C ATOM 1100 O ALA A 150 37.259 17.093 98.182 1.00 19.28 O ATOM 1101 CB ALA A 150 38.388 14.434 99.732 1.00 20.94 C ATOM 1102 H ALA A 150 37.596 12.752 97.935 1.00 0.00 H ATOM 1103 N GLU A 151 38.564 15.865 96.868 1.00 21.29 N ATOM 1104 CA GLU A 151 39.003 17.044 96.096 1.00 23.84 C ATOM 1105 C GLU A 151 37.797 17.725 95.411 1.00 21.91 C ATOM 1106 O GLU A 151 37.702 18.913 95.385 1.00 20.71 O ATOM 1107 CB GLU A 151 40.036 16.637 95.018 1.00 25.44 C ATOM 1108 CG GLU A 151 41.379 16.387 95.637 1.00 26.33 C ATOM 1109 CD GLU A 151 42.412 15.708 94.719 1.00 32.23 C ATOM 1110 OE1 GLU A 151 42.059 15.165 93.689 1.00 35.94 O ATOM 1111 OE2 GLU A 151 43.584 15.689 95.110 1.00 37.66 O ATOM 1112 H GLU A 151 38.922 14.920 96.621 1.00 0.00 H ATOM 1113 N ALA A 152 36.915 16.952 94.863 1.00 21.44 N ATOM 1114 CA ALA A 152 35.661 17.463 94.245 1.00 24.32 C ATOM 1115 C ALA A 152 34.738 18.169 95.247 1.00 26.23 C ATOM 1116 O ALA A 152 34.229 19.299 94.972 1.00 23.64 O ATOM 1117 CB ALA A 152 34.942 16.345 93.536 1.00 23.33 C ATOM 1118 H ALA A 152 37.091 15.927 94.854 1.00 0.00 H ATOM 1119 N LEU A 153 34.586 17.592 96.446 1.00 21.82 N ATOM 1120 CA LEU A 153 33.830 18.272 97.484 1.00 20.71 C ATOM 1121 C LEU A 153 34.504 19.518 98.002 1.00 19.14 C ATOM 1122 O LEU A 153 33.824 20.497 98.296 1.00 19.77 O ATOM 1123 CB LEU A 153 33.532 17.295 98.668 1.00 20.81 C ATOM 1124 CG LEU A 153 32.564 16.156 98.395 1.00 22.12 C ATOM 1125 CD1 LEU A 153 32.652 15.200 99.615 1.00 22.90 C ATOM 1126 CD2 LEU A 153 31.118 16.507 98.118 1.00 21.90 C ATOM 1127 H LEU A 153 35.008 16.660 96.634 1.00 0.00 H ATOM 1128 N GLU A 154 35.835 19.530 98.105 1.00 16.23 N ATOM 1129 CA GLU A 154 36.553 20.683 98.504 1.00 19.36 C ATOM 1130 C GLU A 154 36.396 21.838 97.488 1.00 19.33 C ATOM 1131 O GLU A 154 36.227 23.017 97.861 1.00 19.20 O ATOM 1132 CB GLU A 154 38.030 20.388 98.668 1.00 20.11 C ATOM 1133 CG GLU A 154 38.726 21.527 99.315 1.00 22.24 C ATOM 1134 CD GLU A 154 40.198 21.235 99.598 1.00 28.55 C ATOM 1135 OE1 GLU A 154 40.769 20.300 99.004 1.00 27.30 O ATOM 1136 OE2 GLU A 154 40.711 21.946 100.489 1.00 33.05 O ATOM 1137 H GLU A 154 36.363 18.662 97.884 1.00 0.00 H ATOM 1138 N LYS A 155 36.445 21.463 96.226 1.00 21.18 N ATOM 1139 CA LYS A 155 36.297 22.466 95.190 1.00 22.68 C ATOM 1140 C LYS A 155 34.902 23.073 95.282 1.00 24.01 C ATOM 1141 O LYS A 155 34.738 24.324 95.235 1.00 23.44 O ATOM 1142 CB LYS A 155 36.489 21.855 93.836 1.00 22.20 C ATOM 1143 CG LYS A 155 36.157 22.835 92.724 1.00 25.66 C ATOM 1144 CD LYS A 155 36.375 22.213 91.386 1.00 30.29 C ATOM 1145 CE LYS A 155 36.058 23.218 90.305 1.00 37.25 C ATOM 1146 NZ LYS A 155 36.498 22.651 89.013 1.00 37.39 N ATOM 1147 HZ1 LYS A 155 37.521 22.469 89.046 1.00 0.00 H ATOM 1148 HZ2 LYS A 155 35.991 21.760 88.836 1.00 0.00 H ATOM 1149 HZ3 LYS A 155 36.290 23.327 88.250 1.00 0.00 H ATOM 1150 H LYS A 155 36.588 20.463 95.977 1.00 0.00 H ATOM 1151 N LEU A 156 33.885 22.208 95.338 1.00 21.79 N ATOM 1152 CA LEU A 156 32.486 22.655 95.607 1.00 20.75 C ATOM 1153 C LEU A 156 32.340 23.516 96.856 1.00 23.04 C ATOM 1154 O LEU A 156 31.735 24.607 96.825 1.00 26.84 O ATOM 1155 CB LEU A 156 31.562 21.442 95.619 1.00 20.93 C ATOM 1156 CG LEU A 156 30.084 21.652 95.947 1.00 22.68 C ATOM 1157 CD1 LEU A 156 29.422 22.646 94.999 1.00 27.09 C ATOM 1158 CD2 LEU A 156 29.339 20.336 95.837 1.00 26.34 C ATOM 1159 H LEU A 156 34.073 21.196 95.190 1.00 0.00 H ATOM 1160 N PHE A 157 32.908 23.093 97.966 1.00 20.92 N ATOM 1161 CA PHE A 157 32.923 23.882 99.172 1.00 22.13 C ATOM 1162 C PHE A 157 33.459 25.302 98.927 1.00 24.63 C ATOM 1163 O PHE A 157 32.843 26.291 99.382 1.00 21.85 O ATOM 1164 CB PHE A 157 33.740 23.193 100.246 1.00 21.34 C ATOM 1165 CG PHE A 157 33.888 23.974 101.518 1.00 23.52 C ATOM 1166 CD1 PHE A 157 32.797 24.084 102.388 1.00 23.61 C ATOM 1167 CD2 PHE A 157 35.072 24.542 101.855 1.00 25.75 C ATOM 1168 CE1 PHE A 157 32.918 24.768 103.579 1.00 26.90 C ATOM 1169 CE2 PHE A 157 35.216 25.266 103.062 1.00 31.15 C ATOM 1170 CZ PHE A 157 34.127 25.384 103.915 1.00 28.77 C ATOM 1171 H PHE A 157 33.362 22.157 97.973 1.00 0.00 H ATOM 1172 N LEU A 158 34.563 25.386 98.177 1.00 21.82 N ATOM 1173 CA LEU A 158 35.211 26.679 97.920 1.00 26.10 C ATOM 1174 C LEU A 158 34.385 27.562 96.991 1.00 25.34 C ATOM 1175 O LEU A 158 34.264 28.774 97.219 1.00 26.14 O ATOM 1176 CB LEU A 158 36.643 26.481 97.436 1.00 25.75 C ATOM 1177 CG LEU A 158 37.614 25.903 98.507 1.00 30.40 C ATOM 1178 CD1 LEU A 158 38.898 25.457 97.812 1.00 31.57 C ATOM 1179 CD2 LEU A 158 38.005 26.891 99.580 1.00 33.48 C ATOM 1180 H LEU A 158 34.970 24.521 97.768 1.00 0.00 H ATOM 1181 N GLN A 159 33.781 26.936 96.009 1.00 23.97 N ATOM 1182 CA GLN A 159 32.859 27.620 95.166 1.00 29.81 C ATOM 1183 C GLN A 159 31.636 28.183 95.909 1.00 35.91 C ATOM 1184 O GLN A 159 31.207 29.295 95.611 1.00 31.97 O ATOM 1185 CB GLN A 159 32.394 26.705 94.077 1.00 28.41 C ATOM 1186 CG GLN A 159 33.475 26.381 93.036 1.00 30.79 C ATOM 1187 CD GLN A 159 32.985 25.440 91.973 1.00 31.00 C ATOM 1188 OE1 GLN A 159 32.349 24.412 92.252 1.00 31.96 O ATOM 1189 NE2 GLN A 159 33.274 25.761 90.743 1.00 33.98 N ATOM 1190 HE22 GLN A 159 33.809 26.630 90.544 1.00 0.00 H ATOM 1191 HE21 GLN A 159 32.970 25.148 89.960 1.00 0.00 H ATOM 1192 H GLN A 159 33.978 25.928 95.844 1.00 0.00 H ATOM 1193 N LYS A 160 31.041 27.395 96.819 1.00 31.19 N ATOM 1194 CA LYS A 160 29.954 27.898 97.677 1.00 29.10 C ATOM 1195 C LYS A 160 30.364 28.932 98.696 1.00 30.68 C ATOM 1196 O LYS A 160 29.608 29.881 98.934 1.00 34.97 O ATOM 1197 CB LYS A 160 29.306 26.754 98.420 1.00 29.05 C ATOM 1198 CG LYS A 160 28.701 25.692 97.562 1.00 29.47 C ATOM 1199 CD LYS A 160 27.725 26.159 96.548 1.00 32.40 C ATOM 1200 CE LYS A 160 26.528 26.782 97.183 1.00 37.72 C ATOM 1201 NZ LYS A 160 25.496 27.086 96.142 1.00 41.30 N ATOM 1202 HZ1 LYS A 160 25.895 27.744 95.442 1.00 0.00 H ATOM 1203 HZ2 LYS A 160 25.213 26.204 95.668 1.00 0.00 H ATOM 1204 HZ3 LYS A 160 24.666 27.520 96.595 1.00 0.00 H ATOM 1205 H LYS A 160 31.354 26.408 96.920 1.00 0.00 H ATOM 1206 N ILE A 161 31.524 28.801 99.328 1.00 33.60 N ATOM 1207 CA ILE A 161 31.937 29.856 100.240 1.00 36.34 C ATOM 1208 C ILE A 161 32.321 31.106 99.436 1.00 41.48 C ATOM 1209 O ILE A 161 32.395 32.152 100.028 1.00 51.46 O ATOM 1210 CB ILE A 161 32.999 29.535 101.314 1.00 39.09 C ATOM 1211 CG1 ILE A 161 34.323 29.067 100.747 1.00 41.97 C ATOM 1212 CG2 ILE A 161 32.490 28.572 102.379 1.00 38.61 C ATOM 1213 CD1 ILE A 161 35.404 29.012 101.820 1.00 47.95 C ATOM 1214 H ILE A 161 32.123 27.965 99.175 1.00 0.00 H ATOM 1215 N ASN A 162 32.507 31.023 98.119 1.00 40.93 N ATOM 1216 CA ASN A 162 32.370 32.223 97.266 1.00 53.71 C ATOM 1217 C ASN A 162 30.881 32.645 97.018 1.00 57.20 C ATOM 1218 O ASN A 162 30.353 32.568 95.909 1.00 63.27 O ATOM 1219 CB ASN A 162 33.166 32.052 95.978 1.00 53.75 C ATOM 1220 CG ASN A 162 34.610 32.448 96.148 1.00 65.47 C ATOM 1221 OD1 ASN A 162 35.081 33.398 95.506 1.00 71.49 O ATOM 1222 ND2 ASN A 162 35.320 31.747 97.033 1.00 65.81 N ATOM 1223 HD22 ASN A 162 34.878 30.958 97.546 1.00 0.00 H ATOM 1224 HD21 ASN A 162 36.316 31.989 97.210 1.00 0.00 H ATOM 1225 H ASN A 162 32.750 30.108 97.688 1.00 0.00 H ATOM 1226 N GLU A 163 30.203 32.995 98.121 1.00 77.85 N ATOM 1227 CA GLU A 163 29.179 34.065 98.187 1.00 75.68 C ATOM 1228 C GLU A 163 29.179 34.685 99.604 1.00 75.31 C ATOM 1229 O GLU A 163 29.090 33.985 100.626 1.00 61.81 O ATOM 1230 CB GLU A 163 27.776 33.592 97.794 1.00 75.71 C ATOM 1231 CG GLU A 163 26.757 34.731 97.633 1.00 80.67 C ATOM 1232 CD GLU A 163 26.191 35.266 98.967 1.00 90.74 C ATOM 1233 OE1 GLU A 163 25.265 34.639 99.537 1.00 93.17 O ATOM 1234 OE2 GLU A 163 26.649 36.328 99.463 1.00 93.39 O ATOM 1235 H GLU A 163 30.412 32.476 98.998 1.00 0.00 H TER 1236 GLU A 163 HETATM 1237 O HOH 1 21.444 35.371 106.896 1.00 12.99 O HETATM 1238 O HOH 2 45.852 4.420 99.510 1.00 36.98 O HETATM 1239 O HOH 3 44.163 21.549 107.756 1.00 40.63 O HETATM 1240 O HOH 4 27.814 23.871 122.480 1.00 48.16 O HETATM 1241 O HOH 5 39.065 29.130 109.096 1.00 33.39 O HETATM 1242 O HOH 6 23.290 12.625 96.200 1.00 33.56 O HETATM 1243 O HOH 7 40.196 -0.078 104.522 1.00 42.45 O HETATM 1244 O HOH 8 38.554 -6.536 119.533 1.00 52.36 O HETATM 1245 O HOH 9 26.695 8.393 95.596 1.00 45.70 O HETATM 1246 O HOH 10 44.051 4.408 102.890 1.00 40.73 O HETATM 1247 O HOH 11 45.627 5.712 94.007 1.00 39.81 O HETATM 1248 O HOH 12 29.979 2.398 111.358 1.00 35.92 O HETATM 1249 O HOH 13 42.874 17.227 118.049 1.00 37.45 O HETATM 1250 O HOH 14 23.286 31.713 119.490 1.00 46.97 O HETATM 1251 O HOH 15 38.297 16.064 116.319 1.00 23.25 O HETATM 1252 O HOH 16 30.387 14.046 116.341 1.00 23.23 O HETATM 1253 O HOH 17 31.713 0.295 114.410 1.00 32.88 O HETATM 1254 O HOH 18 38.189 15.003 91.938 1.00 33.24 O HETATM 1255 O HOH 19 33.653 19.708 92.450 1.00 27.06 O HETATM 1256 O HOH 20 26.756 11.248 110.987 1.00 33.98 O HETATM 1257 O HOH 21 47.214 4.414 96.170 1.00 34.77 O HETATM 1258 O HOH 22 32.165 21.893 91.488 1.00 28.97 O HETATM 1259 O HOH 23 37.182 24.143 114.232 1.00 29.04 O HETATM 1260 O HOH 24 36.305 22.231 118.828 1.00 37.52 O HETATM 1261 O HOH 25 39.916 10.792 106.384 1.00 15.78 O HETATM 1262 O HOH 26 39.719 22.948 102.789 1.00 50.08 O HETATM 1263 O HOH 27 42.677 -3.681 116.274 1.00 47.01 O HETATM 1264 O HOH 28 26.415 6.631 108.431 1.00 28.64 O HETATM 1265 O HOH 29 43.010 10.706 116.972 1.00 40.42 O HETATM 1266 O HOH 30 38.574 12.496 109.714 1.00 19.71 O HETATM 1267 O HOH 31 44.006 15.747 112.038 1.00 24.13 O HETATM 1268 O HOH 32 39.435 21.606 112.748 1.00 32.53 O HETATM 1269 O HOH 33 43.009 7.480 90.158 1.00 42.15 O HETATM 1270 O HOH 34 32.882 -5.565 100.161 1.00 21.19 O HETATM 1271 O HOH 35 41.056 -3.947 112.891 1.00 28.52 O HETATM 1272 O HOH 36 28.426 36.640 109.778 1.00 32.91 O HETATM 1273 O HOH 37 25.011 19.281 95.792 1.00 36.06 O HETATM 1274 O HOH 38 45.556 21.474 104.593 1.00 33.12 O HETATM 1275 O HOH 39 34.358 10.256 107.362 1.00 17.66 O HETATM 1276 O HOH 40 45.634 1.648 105.714 1.00 33.10 O HETATM 1277 O HOH 41 44.459 23.633 103.745 1.00 45.61 O HETATM 1278 O HOH 42 34.403 0.803 118.200 1.00 38.36 O HETATM 1279 O HOH 43 25.394 16.850 92.355 1.00 28.29 O HETATM 1280 O HOH 44 31.551 12.540 121.741 1.00 35.02 O HETATM 1281 O HOH 45 42.805 20.132 97.182 1.00 43.89 O HETATM 1282 O HOH 46 24.231 12.553 99.670 1.00 32.08 O HETATM 1283 O HOH 47 36.949 11.428 117.265 1.00 23.83 O HETATM 1284 O HOH 48 43.470 20.456 110.116 1.00 39.30 O HETATM 1285 O HOH 49 26.461 7.932 104.693 1.00 22.14 O HETATM 1286 O HOH 50 48.040 5.714 105.608 1.00 44.49 O HETATM 1287 O HOH 51 38.257 12.965 106.594 1.00 22.31 O HETATM 1288 O HOH 52 30.129 7.575 95.084 1.00 39.77 O HETATM 1289 O HOH 53 42.331 -1.546 105.462 1.00 27.03 O HETATM 1290 O HOH 54 35.165 12.590 112.756 1.00 17.89 O HETATM 1291 O HOH 55 23.467 21.635 122.340 1.00 49.80 O HETATM 1292 O HOH 56 34.824 33.939 111.201 1.00 36.35 O HETATM 1293 O HOH 57 23.086 34.055 105.830 1.00 24.17 O HETATM 1294 O HOH 58 26.252 38.195 111.537 1.00 38.07 O HETATM 1295 O HOH 59 46.831 14.727 112.355 1.00 33.36 O HETATM 1296 O HOH 60 50.739 11.353 104.811 1.00 34.19 O HETATM 1297 O HOH 61 29.880 17.267 124.308 1.00 30.58 O HETATM 1298 O HOH 62 36.253 24.226 116.653 1.00 37.15 O HETATM 1299 O HOH 63 35.708 12.527 107.248 1.00 21.05 O HETATM 1300 O HOH 64 44.700 12.967 93.875 1.00 32.98 O HETATM 1301 O HOH 65 49.204 8.304 103.272 1.00 29.81 O HETATM 1302 O HOH 66 22.199 16.003 112.753 1.00 43.89 O HETATM 1303 O HOH 67 31.028 34.426 111.438 1.00 33.21 O HETATM 1304 O HOH 68 34.319 6.392 114.408 1.00 36.07 O HETATM 1305 O HOH 69 46.409 4.525 103.971 1.00 45.76 O HETATM 1306 O HOH 70 37.327 4.194 122.501 1.00 35.57 O HETATM 1307 O HOH 71 36.289 10.988 110.851 1.00 20.25 O HETATM 1308 O HOH 72 25.913 23.376 121.627 1.00 64.35 O HETATM 1309 O HOH 73 30.921 6.158 111.827 1.00 31.26 O HETATM 1310 O HOH 74 42.449 3.904 114.330 1.00 27.50 O HETATM 1311 O HOH 75 30.671 18.066 91.482 1.00 39.60 O HETATM 1312 O HOH 76 25.258 27.824 114.012 1.00 35.54 O HETATM 1313 O HOH 77 37.489 20.588 115.739 1.00 36.96 O HETATM 1314 O HOH 78 45.048 16.534 97.516 1.00 45.64 O HETATM 1315 O HOH 79 26.307 10.746 99.018 1.00 28.37 O HETATM 1316 O HOH 80 34.412 8.215 116.057 1.00 33.06 O HETATM 1317 O HOH 81 24.632 14.857 111.803 1.00 33.88 O HETATM 1318 O HOH 82 37.519 11.478 120.931 1.00 46.27 O HETATM 1319 O HOH 83 38.852 -4.932 110.935 1.00 29.47 O HETATM 1320 O HOH 84 51.063 9.195 116.684 1.00 51.10 O HETATM 1321 O HOH 85 27.502 27.788 115.286 1.00 36.95 O HETATM 1322 O HOH 86 35.922 16.925 120.464 1.00 44.85 O HETATM 1323 O HOH 87 35.805 10.639 114.892 1.00 19.08 O HETATM 1324 O HOH 88 22.390 11.848 101.695 1.00 42.69 O HETATM 1325 O HOH 89 39.182 24.938 103.980 1.00 52.26 O HETATM 1326 O HOH 90 29.635 35.363 117.862 1.00 56.28 O HETATM 1327 O HOH 91 28.072 13.257 117.156 1.00 36.50 O HETATM 1328 O HOH 92 19.910 28.962 110.272 1.00 39.39 O HETATM 1329 O HOH 93 40.967 -1.288 113.635 1.00 36.42 O HETATM 1330 O HOH 94 29.513 13.966 120.653 1.00 37.66 O HETATM 1331 O HOH 95 20.975 11.938 105.828 1.00 55.15 O HETATM 1332 O HOH 96 25.338 24.284 94.374 1.00 31.30 O HETATM 1333 O HOH 97 37.433 18.584 116.951 1.00 34.43 O HETATM 1334 O HOH 98 28.058 -2.084 108.591 1.00 39.98 O HETATM 1335 O HOH 99 42.283 24.037 98.312 1.00 51.57 O HETATM 1336 O HOH 100 37.888 17.967 91.551 1.00 41.38 O HETATM 1337 O HOH 101 28.704 12.086 114.881 1.00 51.25 O HETATM 1338 O HOH 102 35.380 -5.447 110.711 1.00 37.71 O HETATM 1339 O HOH 103 27.589 -3.979 110.045 1.00 45.09 O HETATM 1340 O HOH 104 37.641 13.981 118.240 1.00 33.65 O HETATM 1341 O HOH 105 41.035 0.367 114.910 1.00 43.48 O HETATM 1342 O HOH 106 34.362 -4.808 112.193 1.00 34.90 O HETATM 1343 O HOH 107 32.299 32.669 104.810 1.00 40.35 O HETATM 1344 O HOH 108 35.988 9.817 91.972 1.00 53.18 O HETATM 1345 O HOH 109 32.133 5.539 113.757 1.00 33.24 O HETATM 1346 O HOH 110 26.846 -4.019 99.980 1.00 50.17 O HETATM 1347 O HOH 111 29.918 20.420 92.124 1.00 39.11 O HETATM 1348 O HOH 112 21.652 18.683 105.532 1.00 54.02 O HETATM 1349 O HOH 113 35.573 18.490 90.733 1.00 33.31 O HETATM 1350 O HOH 114 30.081 8.428 115.809 1.00 45.80 O HETATM 1351 C1 MOL A 115 28.882 3.832 104.237 1.00 0.06 C HETATM 1352 O MOL A 115 30.288 4.053 104.358 1.00 -0.33 O HETATM 1353 C2 MOL A 115 31.165 3.254 103.695 1.00 0.10 C HETATM 1354 C3 MOL A 115 30.830 2.089 103.021 1.00 -0.02 C HETATM 1355 C4 MOL A 115 31.823 1.327 102.391 1.00 0.02 C HETATM 1356 C5 MOL A 115 33.144 1.752 102.482 1.00 -0.06 C HETATM 1357 C6 MOL A 115 33.487 2.912 103.127 1.00 -0.06 C HETATM 1358 C7 MOL A 115 32.501 3.673 103.752 1.00 0.08 C HETATM 1359 N MOL A 115 32.791 4.819 104.535 1.00 -0.26 N HETATM 1360 C8 MOL A 115 33.892 5.616 104.618 1.00 0.17 C HETATM 1361 N1 MOL A 115 33.934 6.504 105.619 1.00 -0.29 N HETATM 1362 C9 MOL A 115 34.989 7.318 105.659 1.00 0.02 C HETATM 1363 C10 MOL A 115 36.056 7.217 104.766 1.00 0.13 C HETATM 1364 C11 MOL A 115 35.928 6.258 103.733 1.00 0.16 C HETATM 1365 N3 MOL A 115 36.915 5.911 102.862 1.00 -0.24 N HETATM 1366 C12 MOL A 115 38.230 5.613 103.364 1.00 0.09 C HETATM 1367 C17 MOL A 115 38.861 6.480 104.271 1.00 0.08 C HETATM 1368 C16 MOL A 115 40.085 6.106 104.783 1.00 -0.05 C HETATM 1369 C15 MOL A 115 40.633 4.863 104.531 1.00 -0.07 C HETATM 1370 C14 MOL A 115 40.003 4.011 103.654 1.00 -0.07 C HETATM 1371 C13 MOL A 115 38.775 4.337 103.146 1.00 -0.03 C HETATM 1372 H18 MOL A 115 38.219 3.605 102.571 1.00 0.05 H HETATM 1373 H17 MOL A 115 40.479 3.081 103.365 1.00 0.06 H HETATM 1374 H6 MOL A 115 41.552 4.562 105.020 1.00 0.05 H HETATM 1375 H7 MOL A 115 40.633 6.808 105.401 1.00 0.06 H HETATM 1376 C18 MOL A 115 38.423 7.901 104.514 1.00 0.23 C HETATM 1377 O1 MOL A 115 39.265 8.800 104.533 1.00 -0.38 O HETATM 1378 N4 MOL A 115 37.112 8.181 104.725 1.00 -0.22 N HETATM 1379 C19 MOL A 115 36.661 9.579 104.822 1.00 0.04 C HETATM 1380 H8 MOL A 115 37.532 10.249 104.783 1.00 0.05 H HETATM 1381 H9 MOL A 115 36.127 9.727 105.772 1.00 0.05 H HETATM 1382 H10 MOL A 115 35.986 9.806 103.983 1.00 0.05 H HETATM 1383 C20 MOL A 115 36.524 5.443 101.530 1.00 0.04 C HETATM 1384 H19 MOL A 115 35.493 5.762 101.317 1.00 0.05 H HETATM 1385 H20 MOL A 115 36.583 4.345 101.495 1.00 0.05 H HETATM 1386 H21 MOL A 115 37.203 5.871 100.777 1.00 0.05 H HETATM 1387 N2 MOL A 115 34.859 5.451 103.698 1.00 -0.25 N HETATM 1388 H16 MOL A 115 35.019 8.091 106.418 1.00 0.07 H HETATM 1389 H22 MOL A 115 32.023 5.103 105.160 1.00 0.21 H HETATM 1390 H5 MOL A 115 34.521 3.236 103.151 1.00 0.05 H HETATM 1391 H4 MOL A 115 33.924 1.149 102.031 1.00 0.04 H HETATM 1392 N5 MOL A 115 31.512 0.103 101.781 1.00 -0.32 N HETATM 1393 C21 MOL A 115 32.595 -0.900 101.832 1.00 0.03 C HETATM 1394 C22 MOL A 115 32.375 -2.100 100.962 1.00 -0.01 C HETATM 1395 C23 MOL A 115 30.989 -2.675 101.006 1.00 0.06 C HETATM 1396 C24 MOL A 115 29.959 -1.600 100.749 1.00 -0.01 C HETATM 1397 C25 MOL A 115 30.128 -0.336 101.564 1.00 0.03 C HETATM 1398 H26 MOL A 115 29.669 -0.506 102.549 1.00 0.05 H HETATM 1399 H27 MOL A 115 29.594 0.474 101.046 1.00 0.05 H HETATM 1400 H14 MOL A 115 28.967 -2.019 100.973 1.00 0.03 H HETATM 1401 H15 MOL A 115 30.010 -1.328 99.684 1.00 0.03 H HETATM 1402 O2 MOL A 115 30.928 -3.703 100.035 1.00 -0.39 O HETATM 1403 H28 MOL A 115 31.587 -4.359 100.228 1.00 0.21 H HETATM 1404 H13 MOL A 115 30.804 -3.106 102.001 1.00 0.06 H HETATM 1405 H29 MOL A 115 33.079 -2.884 101.279 1.00 0.03 H HETATM 1406 H30 MOL A 115 32.591 -1.811 99.923 1.00 0.03 H HETATM 1407 H11 MOL A 115 32.696 -1.244 102.872 1.00 0.05 H HETATM 1408 H12 MOL A 115 33.529 -0.413 101.515 1.00 0.05 H HETATM 1409 H3 MOL A 115 29.796 1.767 102.981 1.00 0.04 H HETATM 1410 C MOL A 115 28.237 4.932 105.018 1.00 -0.04 C HETATM 1411 H23 MOL A 115 27.143 4.824 104.969 1.00 0.03 H HETATM 1412 H24 MOL A 115 28.529 5.904 104.593 1.00 0.03 H HETATM 1413 H25 MOL A 115 28.564 4.877 106.067 1.00 0.03 H HETATM 1414 H1 MOL A 115 28.609 2.852 104.656 1.00 0.06 H HETATM 1415 H2 MOL A 115 28.575 3.878 103.182 1.00 0.06 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1351 1352 1410 1414 1415 CONECT 1352 1351 1353 CONECT 1353 1352 1354 1358 CONECT 1354 1353 1355 1409 CONECT 1355 1354 1356 1392 CONECT 1356 1355 1357 1391 CONECT 1357 1356 1358 1390 CONECT 1358 1353 1357 1359 CONECT 1359 1358 1360 1389 CONECT 1360 1359 1361 1387 CONECT 1361 1360 1362 CONECT 1362 1361 1363 1388 CONECT 1363 1362 1364 1378 CONECT 1364 1363 1365 1387 CONECT 1365 1364 1366 1383 CONECT 1366 1365 1367 1371 CONECT 1367 1366 1368 1376 CONECT 1368 1367 1369 1375 CONECT 1369 1368 1370 1374 CONECT 1370 1369 1371 1373 CONECT 1371 1366 1370 1372 CONECT 1372 1371 CONECT 1373 1370 CONECT 1374 1369 CONECT 1375 1368 CONECT 1376 1367 1377 1378 CONECT 1377 1376 CONECT 1378 1363 1376 1379 CONECT 1379 1378 1380 1381 1382 CONECT 1380 1379 CONECT 1381 1379 CONECT 1382 1379 CONECT 1383 1365 1384 1385 1386 CONECT 1384 1383 CONECT 1385 1383 CONECT 1386 1383 CONECT 1387 1360 1364 CONECT 1388 1362 CONECT 1389 1359 CONECT 1390 1357 CONECT 1391 1356 CONECT 1392 1355 1393 1397 CONECT 1393 1392 1394 1407 1408 CONECT 1394 1393 1395 1405 1406 CONECT 1395 1394 1396 1402 1404 CONECT 1396 1395 1397 1400 1401 CONECT 1397 1392 1396 1398 1399 CONECT 1398 1397 CONECT 1399 1397 CONECT 1400 1396 CONECT 1401 1396 CONECT 1402 1395 1403 CONECT 1403 1402 CONECT 1404 1395 CONECT 1405 1394 CONECT 1406 1394 CONECT 1407 1393 CONECT 1408 1393 CONECT 1409 1354 CONECT 1410 1351 1411 1412 1413 CONECT 1411 1410 CONECT 1412 1410 CONECT 1413 1410 CONECT 1414 1351 CONECT 1415 1351 MASTER 0 0 0 0 0 0 0 0 1414 1 69 10 END
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Related entries of code: 5lrq
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
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RCSB PDB
PDBbind
153aa, >4BJX_1|Chain... *
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PDBbind
141aa, >5CP5_1|Chain... at 92%
5cqt
RCSB PDB
PDBbind
141aa, >5CQT_1|Chain... at 92%
5cy9
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PDBbind
141aa, >5CY9_1|Chain... at 92%
5d0c
RCSB PDB
PDBbind
141aa, >5D0C_1|Chain... at 92%
5h21
RCSB PDB
PDBbind
139aa, >5H21_1|Chain... at 94%
5wuu
RCSB PDB
PDBbind
139aa, >5WUU_1|Chain... at 94%
5y8c
RCSB PDB
PDBbind
139aa, >5Y8C_1|Chain... at 92%
5y8w
RCSB PDB
PDBbind
141aa, >5Y8W_1|Chain... at 92%
5y8y
RCSB PDB
PDBbind
141aa, >5Y8Y_1|Chain... at 92%
5y8z
RCSB PDB
PDBbind
141aa, >5Y8Z_1|Chain... at 92%
5y93
RCSB PDB
PDBbind
141aa, >5Y93_1|Chain... at 92%
5y94
RCSB PDB
PDBbind
141aa, >5Y94_1|Chain... at 92%
5z1t
RCSB PDB
PDBbind
141aa, >5Z1T_1|Chain... at 92%
5z1s
RCSB PDB
PDBbind
141aa, >5Z1S_1|Chain... at 92%
5z1r
RCSB PDB
PDBbind
141aa, >5Z1R_1|Chain... at 92%
5yqx
RCSB PDB
PDBbind
140aa, >5YQX_1|Chain... at 92%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
5byy
RCSB PDB
PDBbind
4WG
Entry Information
PDB ID
5lrq
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Bromodomain-containing protein 4
Ligand Name
4WG
EC.Number
E.C.-.-.-.-
Resolution
1.7(Å)
Affinity (Kd/Ki/IC50)
Kd=1.6uM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Eur.J.Med.Chem. Vol. 178: pp. 530-543
Ligand Properties
Formula
C
2
6
H
3
0
N
6
O
3
Molecular Weight
474.555
Exact Mass
474.238
No. of atoms
65
No. of bonds
69
Polar Surface Area
97.44
LOGP Value
3.52 (
Computed with XLOGP3
)
3.62 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 5
Canonical SMILES
CCOc1cc(ccc1Nc1ncc2c(n1)n(C)c1ccccc1c(=O)n2C)N1CCC(CC1)O
InChI String
InChI=1S/C26H30N6O3/c1-4-35-23-15-17(32-13-11-18(33)12-14-32)9-10-20(23)28-26-27-16-22-24(29-26)30(2)21-8-6-5-7-19(21)25(34)31(22)3/h5-10,15-16,18,33H,4,11-14H2,1-3H3,(H,27,28,29)
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):
O60885
Entrez Gene ID
NCBI Entrez Gene ID:
23476
ASD
Information of known allosteric effects of PDB entries
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