Browse entries in the PDBbind-CN Database
HEADER 1CKA_COMPLEX COMPND 1CKA_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 57 ALA GLU TYR VAL ARG ALA LEU PHE ASP PHE ASN GLY ASN SEQRES 2 A 57 ASP GLU GLU ASP LEU PRO PHE LYS LYS GLY ASP ILE LEU SEQRES 3 A 57 ARG ILE ARG ASP LYS PRO GLU GLU GLN TRP TRP ASN ALA SEQRES 4 A 57 GLU ASP SER GLU GLY LYS ARG GLY MET ILE PRO VAL PRO SEQRES 5 A 57 TYR VAL GLU LYS TYR HET PRO A 177 147 ATOM 1 N ALA A 134 96.194 128.683 20.958 1.00 23.46 N ATOM 2 CA ALA A 134 96.786 127.316 20.943 1.00 17.22 C ATOM 3 C ALA A 134 98.270 127.364 21.282 1.00 15.52 C ATOM 4 O ALA A 134 98.635 127.298 22.452 1.00 18.21 O ATOM 5 CB ALA A 134 96.568 126.657 19.592 1.00 45.28 C ATOM 6 HA ALA A 134 96.284 126.719 21.704 1.00 0.00 H ATOM 7 HB1 ALA A 134 95.499 126.583 19.394 1.00 0.00 H ATOM 8 HB2 ALA A 134 97.042 127.257 18.816 1.00 0.00 H ATOM 9 HB3 ALA A 134 97.007 125.659 19.601 1.00 0.00 H ATOM 10 HN3 ALA A 134 96.679 129.277 20.256 1.00 0.00 H ATOM 11 HN2 ALA A 134 96.309 129.099 21.904 1.00 0.00 H ATOM 12 HN1 ALA A 134 95.182 128.624 20.724 1.00 0.00 H ATOM 13 N GLU A 135 99.129 127.485 20.276 1.00 9.76 N ATOM 14 CA GLU A 135 100.561 127.536 20.535 1.00 9.51 C ATOM 15 C GLU A 135 101.117 128.922 20.267 1.00 4.30 C ATOM 16 O GLU A 135 101.142 129.384 19.124 1.00 7.17 O ATOM 17 CB GLU A 135 101.305 126.491 19.699 1.00 10.31 C ATOM 18 CG GLU A 135 102.807 126.486 19.912 1.00 9.60 C ATOM 19 CD GLU A 135 103.518 125.371 19.138 1.00 13.19 C ATOM 20 OE1 GLU A 135 102.856 124.497 18.548 1.00 21.85 O ATOM 21 OE2 GLU A 135 104.765 125.354 19.148 1.00 18.23 O ATOM 22 HA GLU A 135 100.714 127.306 21.589 1.00 0.00 H ATOM 23 HB2 GLU A 135 100.918 125.505 19.959 1.00 0.00 H ATOM 24 HB3 GLU A 135 101.109 126.691 18.646 1.00 0.00 H ATOM 25 HG2 GLU A 135 103.208 127.446 19.586 1.00 0.00 H ATOM 26 HG3 GLU A 135 103.007 126.353 20.975 1.00 0.00 H ATOM 27 H GLU A 135 98.777 127.544 19.299 1.00 0.00 H ATOM 28 N TYR A 136 101.604 129.559 21.323 1.00 4.68 N ATOM 29 CA TYR A 136 102.172 130.902 21.218 1.00 9.72 C ATOM 30 C TYR A 136 103.637 130.924 21.592 1.00 6.29 C ATOM 31 O TYR A 136 104.082 130.167 22.453 1.00 5.67 O ATOM 32 CB TYR A 136 101.450 131.890 22.136 1.00 7.08 C ATOM 33 CG TYR A 136 99.984 132.069 21.818 1.00 8.43 C ATOM 34 CD1 TYR A 136 99.570 132.948 20.822 1.00 5.90 C ATOM 35 CD2 TYR A 136 99.019 131.342 22.509 1.00 15.28 C ATOM 36 CE1 TYR A 136 98.221 133.104 20.531 1.00 11.16 C ATOM 37 CE2 TYR A 136 97.670 131.488 22.228 1.00 15.54 C ATOM 38 CZ TYR A 136 97.278 132.364 21.236 1.00 14.39 C ATOM 39 OH TYR A 136 95.935 132.479 20.955 1.00 24.97 O ATOM 40 HA TYR A 136 102.049 131.195 20.175 1.00 0.00 H ATOM 41 HB3 TYR A 136 101.940 132.860 22.049 1.00 0.00 H ATOM 42 HB2 TYR A 136 101.537 131.531 23.162 1.00 0.00 H ATOM 43 HD2 TYR A 136 99.330 130.644 23.286 1.00 0.00 H ATOM 44 HE2 TYR A 136 96.926 130.917 22.784 1.00 0.00 H ATOM 45 HE1 TYR A 136 97.904 133.801 19.756 1.00 0.00 H ATOM 46 HD1 TYR A 136 100.312 133.520 20.265 1.00 0.00 H ATOM 47 HH TYR A 136 95.806 133.138 20.228 1.00 0.00 H ATOM 48 H TYR A 136 101.581 129.091 22.251 1.00 0.00 H ATOM 49 N VAL A 137 104.380 131.796 20.923 1.00 6.05 N ATOM 50 CA VAL A 137 105.795 131.990 21.231 1.00 6.02 C ATOM 51 C VAL A 137 105.977 133.508 21.384 1.00 9.11 C ATOM 52 O VAL A 137 105.125 134.289 20.943 1.00 5.88 O ATOM 53 CB VAL A 137 106.743 131.464 20.102 1.00 6.26 C ATOM 54 CG1 VAL A 137 106.562 129.975 19.897 1.00 5.90 C ATOM 55 CG2 VAL A 137 106.508 132.227 18.794 1.00 7.31 C ATOM 56 HA VAL A 137 106.058 131.430 22.128 1.00 0.00 H ATOM 57 HB VAL A 137 107.772 131.639 20.416 1.00 0.00 H ATOM 58 HG11 VAL A 137 106.795 129.451 20.824 1.00 0.00 H ATOM 59 HG12 VAL A 137 105.530 129.772 19.612 1.00 0.00 H ATOM 60 HG13 VAL A 137 107.232 129.634 19.107 1.00 0.00 H ATOM 61 HG21 VAL A 137 105.474 132.092 18.477 1.00 0.00 H ATOM 62 HG22 VAL A 137 106.705 133.287 18.953 1.00 0.00 H ATOM 63 HG23 VAL A 137 107.179 131.843 18.025 1.00 0.00 H ATOM 64 H VAL A 137 103.945 132.355 20.161 1.00 0.00 H ATOM 65 N ARG A 138 107.059 133.905 22.048 1.00 7.02 N ATOM 66 CA ARG A 138 107.363 135.313 22.232 1.00 6.53 C ATOM 67 C ARG A 138 108.714 135.574 21.562 1.00 7.60 C ATOM 68 O ARG A 138 109.635 134.770 21.711 1.00 5.29 O ATOM 69 CB ARG A 138 107.457 135.646 23.717 1.00 8.54 C ATOM 70 CG ARG A 138 107.916 137.063 24.004 1.00 9.37 C ATOM 71 CD ARG A 138 108.207 137.245 25.486 1.00 17.41 C ATOM 72 NE ARG A 138 107.010 137.225 26.341 1.00 19.64 N ATOM 73 CZ ARG A 138 106.656 136.216 27.141 1.00 17.57 C ATOM 74 NH1 ARG A 138 107.378 135.107 27.202 1.00 15.84 N ATOM 75 NH2 ARG A 138 105.633 136.363 27.969 1.00 20.13 N ATOM 76 HA ARG A 138 106.579 135.932 21.795 1.00 0.00 H ATOM 77 HB2 ARG A 138 106.472 135.508 24.163 1.00 0.00 H ATOM 78 HB3 ARG A 138 108.163 134.956 24.179 1.00 0.00 H ATOM 79 HG2 ARG A 138 108.822 137.268 23.433 1.00 0.00 H ATOM 80 HG3 ARG A 138 107.134 137.760 23.705 1.00 0.00 H ATOM 81 HD2 ARG A 138 108.708 138.203 25.621 1.00 0.00 H ATOM 82 HD3 ARG A 138 108.870 136.441 25.806 1.00 0.00 H ATOM 83 HE ARG A 138 106.392 138.061 26.321 1.00 0.00 H ATOM 84 HH12 ARG A 138 107.087 134.331 27.831 1.00 0.00 H ATOM 85 HH11 ARG A 138 108.235 135.012 26.621 1.00 0.00 H ATOM 86 HH22 ARG A 138 105.353 135.580 28.594 1.00 0.00 H ATOM 87 HH21 ARG A 138 105.109 137.261 27.994 1.00 0.00 H ATOM 88 H ARG A 138 107.702 133.190 22.445 1.00 0.00 H ATOM 89 N ALA A 139 108.811 136.667 20.805 1.00 5.33 N ATOM 90 CA ALA A 139 110.047 137.038 20.124 1.00 5.81 C ATOM 91 C ALA A 139 111.120 137.462 21.124 1.00 6.75 C ATOM 92 O ALA A 139 110.854 138.288 21.998 1.00 5.59 O ATOM 93 CB ALA A 139 109.792 138.186 19.148 1.00 7.23 C ATOM 94 HA ALA A 139 110.399 136.163 19.578 1.00 0.00 H ATOM 95 HB1 ALA A 139 109.057 137.874 18.406 1.00 0.00 H ATOM 96 HB2 ALA A 139 109.414 139.049 19.695 1.00 0.00 H ATOM 97 HB3 ALA A 139 110.724 138.450 18.649 1.00 0.00 H ATOM 98 H ALA A 139 107.976 137.277 20.696 1.00 0.00 H ATOM 99 N LEU A 140 112.305 136.866 21.011 1.00 5.87 N ATOM 100 CA LEU A 140 113.447 137.210 21.876 1.00 8.39 C ATOM 101 C LEU A 140 114.304 138.318 21.257 1.00 9.79 C ATOM 102 O LEU A 140 115.058 139.003 21.954 1.00 9.13 O ATOM 103 CB LEU A 140 114.323 135.975 22.092 1.00 7.61 C ATOM 104 CG LEU A 140 113.669 134.853 22.880 1.00 7.07 C ATOM 105 CD1 LEU A 140 114.508 133.579 22.792 1.00 10.88 C ATOM 106 CD2 LEU A 140 113.505 135.315 24.322 1.00 11.99 C ATOM 107 HA LEU A 140 113.048 137.565 22.826 1.00 0.00 H ATOM 108 HB2 LEU A 140 114.602 135.583 21.114 1.00 0.00 H ATOM 109 HB3 LEU A 140 115.220 136.286 22.627 1.00 0.00 H ATOM 110 HG LEU A 140 112.689 134.619 22.464 1.00 0.00 H ATOM 111 HD21 LEU A 140 114.484 135.546 24.742 1.00 0.00 H ATOM 112 HD22 LEU A 140 112.878 136.206 24.348 1.00 0.00 H ATOM 113 HD23 LEU A 140 113.036 134.522 24.905 1.00 0.00 H ATOM 114 HD11 LEU A 140 114.597 133.275 21.749 1.00 0.00 H ATOM 115 HD12 LEU A 140 115.500 133.770 23.202 1.00 0.00 H ATOM 116 HD13 LEU A 140 114.024 132.786 23.362 1.00 0.00 H ATOM 117 H LEU A 140 112.429 136.131 20.286 1.00 0.00 H ATOM 118 N PHE A 141 114.168 138.484 19.938 1.00 10.87 N ATOM 119 CA PHE A 141 114.925 139.453 19.140 1.00 6.32 C ATOM 120 C PHE A 141 114.097 139.960 17.968 1.00 10.14 C ATOM 121 O PHE A 141 113.078 139.364 17.609 1.00 5.24 O ATOM 122 CB PHE A 141 116.164 138.764 18.551 1.00 7.00 C ATOM 123 CG PHE A 141 117.191 138.401 19.568 1.00 11.02 C ATOM 124 CD1 PHE A 141 118.195 139.310 19.914 1.00 13.31 C ATOM 125 CD2 PHE A 141 117.156 137.167 20.194 1.00 13.37 C ATOM 126 CE1 PHE A 141 119.155 138.982 20.877 1.00 16.99 C ATOM 127 CE2 PHE A 141 118.114 136.827 21.164 1.00 19.70 C ATOM 128 CZ PHE A 141 119.110 137.736 21.503 1.00 18.33 C ATOM 129 HA PHE A 141 115.196 140.284 19.792 1.00 0.00 H ATOM 130 HB2 PHE A 141 115.843 137.853 18.046 1.00 0.00 H ATOM 131 HB3 PHE A 141 116.621 139.438 17.827 1.00 0.00 H ATOM 132 HD2 PHE A 141 116.377 136.451 19.932 1.00 0.00 H ATOM 133 HE2 PHE A 141 118.076 135.852 21.650 1.00 0.00 H ATOM 134 HZ PHE A 141 119.854 137.476 22.256 1.00 0.00 H ATOM 135 HE1 PHE A 141 119.935 139.697 21.137 1.00 0.00 H ATOM 136 HD1 PHE A 141 118.230 140.285 19.428 1.00 0.00 H ATOM 137 H PHE A 141 113.477 137.884 19.443 1.00 0.00 H ATOM 138 N ASP A 142 114.521 141.075 17.380 1.00 6.57 N ATOM 139 CA ASP A 142 113.821 141.601 16.213 1.00 4.01 C ATOM 140 C ASP A 142 114.227 140.671 15.073 1.00 5.62 C ATOM 141 O ASP A 142 115.322 140.086 15.093 1.00 7.00 O ATOM 142 CB ASP A 142 114.313 143.013 15.825 1.00 8.61 C ATOM 143 CG ASP A 142 114.006 144.095 16.858 1.00 9.70 C ATOM 144 OD1 ASP A 142 113.179 143.899 17.782 1.00 9.90 O ATOM 145 OD2 ASP A 142 114.618 145.180 16.701 1.00 9.10 O ATOM 146 HA ASP A 142 112.751 141.657 16.412 1.00 0.00 H ATOM 147 HB2 ASP A 142 115.393 142.971 15.686 1.00 0.00 H ATOM 148 HB3 ASP A 142 113.837 143.294 14.885 1.00 0.00 H ATOM 149 H ASP A 142 115.354 141.573 17.753 1.00 0.00 H ATOM 150 N PHE A 143 113.377 140.577 14.060 1.00 7.47 N ATOM 151 CA PHE A 143 113.681 139.779 12.888 1.00 6.03 C ATOM 152 C PHE A 143 113.044 140.442 11.677 1.00 5.66 C ATOM 153 O PHE A 143 111.875 140.831 11.736 1.00 7.30 O ATOM 154 CB PHE A 143 113.131 138.355 13.055 1.00 9.46 C ATOM 155 CG PHE A 143 113.190 137.521 11.804 1.00 6.81 C ATOM 156 CD1 PHE A 143 114.416 137.080 11.287 1.00 6.63 C ATOM 157 CD2 PHE A 143 112.002 137.155 11.158 1.00 5.85 C ATOM 158 CE1 PHE A 143 114.446 136.275 10.136 1.00 8.69 C ATOM 159 CE2 PHE A 143 112.022 136.360 10.025 1.00 5.63 C ATOM 160 CZ PHE A 143 113.235 135.914 9.511 1.00 8.60 C ATOM 161 HA PHE A 143 114.761 139.714 12.756 1.00 0.00 H ATOM 162 HB2 PHE A 143 113.711 137.853 13.829 1.00 0.00 H ATOM 163 HB3 PHE A 143 112.090 138.425 13.371 1.00 0.00 H ATOM 164 HD2 PHE A 143 111.047 137.502 11.554 1.00 0.00 H ATOM 165 HE2 PHE A 143 111.088 136.084 9.536 1.00 0.00 H ATOM 166 HZ PHE A 143 113.249 135.283 8.622 1.00 0.00 H ATOM 167 HE1 PHE A 143 115.398 135.932 9.730 1.00 0.00 H ATOM 168 HD1 PHE A 143 115.347 137.362 11.779 1.00 0.00 H ATOM 169 H PHE A 143 112.472 141.087 14.107 1.00 0.00 H ATOM 170 N ASN A 144 113.804 140.599 10.595 1.00 7.63 N ATOM 171 CA ASN A 144 113.240 141.171 9.373 1.00 5.89 C ATOM 172 C ASN A 144 113.196 140.139 8.255 1.00 7.95 C ATOM 173 O ASN A 144 112.247 140.089 7.501 1.00 15.58 O ATOM 174 CB ASN A 144 114.006 142.407 8.926 1.00 12.21 C ATOM 175 CG ASN A 144 113.721 143.591 9.810 1.00 21.51 C ATOM 176 OD1 ASN A 144 112.560 143.994 9.984 1.00 21.03 O ATOM 177 ND2 ASN A 144 114.755 144.124 10.420 1.00 17.95 N ATOM 178 HA ASN A 144 112.219 141.476 9.602 1.00 0.00 H ATOM 179 HB2 ASN A 144 115.074 142.191 8.958 1.00 0.00 H ATOM 180 HB3 ASN A 144 113.716 142.652 7.904 1.00 0.00 H ATOM 181 HD22 ASN A 144 115.711 143.754 10.244 1.00 0.00 H ATOM 182 HD21 ASN A 144 114.618 144.916 11.079 1.00 0.00 H ATOM 183 H ASN A 144 114.804 140.313 10.619 1.00 0.00 H ATOM 184 N GLY A 145 114.246 139.337 8.137 1.00 11.35 N ATOM 185 CA GLY A 145 114.294 138.304 7.105 1.00 16.12 C ATOM 186 C GLY A 145 114.698 138.786 5.718 1.00 14.92 C ATOM 187 O GLY A 145 114.475 139.953 5.372 1.00 13.76 O ATOM 188 HA3 GLY A 145 113.303 137.856 7.030 1.00 0.00 H ATOM 189 HA2 GLY A 145 115.011 137.546 7.420 1.00 0.00 H ATOM 190 H GLY A 145 115.048 139.445 8.790 1.00 0.00 H ATOM 191 N ASN A 146 115.386 137.926 4.962 1.00 10.75 N ATOM 192 CA ASN A 146 115.784 138.295 3.617 1.00 12.01 C ATOM 193 C ASN A 146 114.879 137.712 2.538 1.00 16.67 C ATOM 194 O ASN A 146 114.980 138.095 1.369 1.00 19.31 O ATOM 195 CB ASN A 146 117.252 137.956 3.344 1.00 15.84 C ATOM 196 CG ASN A 146 118.201 138.865 4.108 1.00 26.84 C ATOM 197 OD1 ASN A 146 118.418 140.030 3.731 1.00 16.24 O ATOM 198 ND2 ASN A 146 118.736 138.361 5.214 1.00 29.08 N ATOM 199 HA ASN A 146 115.670 139.378 3.565 1.00 0.00 H ATOM 200 HB2 ASN A 146 117.436 136.924 3.643 1.00 0.00 H ATOM 201 HB3 ASN A 146 117.445 138.063 2.277 1.00 0.00 H ATOM 202 HD22 ASN A 146 118.528 137.381 5.493 1.00 0.00 H ATOM 203 HD21 ASN A 146 119.363 138.946 5.802 1.00 0.00 H ATOM 204 H ASN A 146 115.637 136.990 5.339 1.00 0.00 H ATOM 205 N ASP A 147 113.990 136.802 2.926 1.00 9.97 N ATOM 206 CA ASP A 147 113.066 136.185 1.974 1.00 7.70 C ATOM 207 C ASP A 147 111.661 136.773 2.108 1.00 10.71 C ATOM 208 O ASP A 147 111.190 137.068 3.218 1.00 10.40 O ATOM 209 CB ASP A 147 113.006 134.664 2.174 1.00 9.29 C ATOM 210 CG ASP A 147 114.353 133.992 1.956 1.00 13.21 C ATOM 211 OD1 ASP A 147 115.195 134.572 1.243 1.00 16.99 O ATOM 212 OD2 ASP A 147 114.576 132.892 2.505 1.00 13.52 O ATOM 213 HA ASP A 147 113.442 136.397 0.973 1.00 0.00 H ATOM 214 HB2 ASP A 147 112.673 134.458 3.191 1.00 0.00 H ATOM 215 HB3 ASP A 147 112.289 134.247 1.467 1.00 0.00 H ATOM 216 H ASP A 147 113.951 136.523 3.927 1.00 0.00 H ATOM 217 N GLU A 148 110.958 136.870 0.987 1.00 6.91 N ATOM 218 CA GLU A 148 109.620 137.428 0.991 1.00 8.59 C ATOM 219 C GLU A 148 108.595 136.617 1.814 1.00 7.94 C ATOM 220 O GLU A 148 107.593 137.160 2.291 1.00 7.66 O ATOM 221 CB GLU A 148 109.152 137.618 -0.446 1.00 13.63 C ATOM 222 CG GLU A 148 109.974 138.646 -1.248 1.00 14.93 C ATOM 223 CD GLU A 148 109.651 140.111 -0.902 1.00 25.54 C ATOM 224 OE1 GLU A 148 108.678 140.393 -0.158 1.00 23.04 O ATOM 225 OE2 GLU A 148 110.383 140.993 -1.392 1.00 40.12 O ATOM 226 HA GLU A 148 109.679 138.391 1.498 1.00 0.00 H ATOM 227 HB2 GLU A 148 109.215 136.657 -0.956 1.00 0.00 H ATOM 228 HB3 GLU A 148 108.114 137.950 -0.427 1.00 0.00 H ATOM 229 HG2 GLU A 148 111.031 138.471 -1.048 1.00 0.00 H ATOM 230 HG3 GLU A 148 109.776 138.492 -2.309 1.00 0.00 H ATOM 231 H GLU A 148 111.373 136.541 0.092 1.00 0.00 H ATOM 232 N GLU A 149 108.870 135.336 2.026 1.00 5.78 N ATOM 233 CA GLU A 149 107.980 134.476 2.814 1.00 6.52 C ATOM 234 C GLU A 149 108.102 134.705 4.326 1.00 6.04 C ATOM 235 O GLU A 149 107.294 134.167 5.096 1.00 10.48 O ATOM 236 CB GLU A 149 108.272 132.991 2.534 1.00 8.54 C ATOM 237 CG GLU A 149 109.601 132.509 3.092 1.00 6.56 C ATOM 238 CD GLU A 149 109.774 130.979 3.019 1.00 14.88 C ATOM 239 OE1 GLU A 149 108.873 130.272 2.525 1.00 15.48 O ATOM 240 OE2 GLU A 149 110.822 130.474 3.466 1.00 13.53 O ATOM 241 HA GLU A 149 106.969 134.741 2.506 1.00 0.00 H ATOM 242 HB2 GLU A 149 107.476 132.394 2.979 1.00 0.00 H ATOM 243 HB3 GLU A 149 108.277 132.840 1.455 1.00 0.00 H ATOM 244 HG2 GLU A 149 110.405 132.976 2.523 1.00 0.00 H ATOM 245 HG3 GLU A 149 109.670 132.816 4.136 1.00 0.00 H ATOM 246 H GLU A 149 109.739 134.931 1.623 1.00 0.00 H ATOM 247 N ASP A 150 109.137 135.440 4.738 1.00 6.02 N ATOM 248 CA ASP A 150 109.413 135.688 6.148 1.00 6.11 C ATOM 249 C ASP A 150 108.460 136.665 6.805 1.00 6.52 C ATOM 250 O ASP A 150 108.043 137.635 6.186 1.00 10.12 O ATOM 251 CB ASP A 150 110.849 136.219 6.345 1.00 4.04 C ATOM 252 CG ASP A 150 111.922 135.244 5.881 1.00 6.96 C ATOM 253 OD1 ASP A 150 111.621 134.059 5.688 1.00 6.25 O ATOM 254 OD2 ASP A 150 113.086 135.675 5.734 1.00 8.27 O ATOM 255 HA ASP A 150 109.281 134.719 6.628 1.00 0.00 H ATOM 256 HB2 ASP A 150 110.956 137.145 5.781 1.00 0.00 H ATOM 257 HB3 ASP A 150 111.001 136.421 7.405 1.00 0.00 H ATOM 258 H ASP A 150 109.772 135.852 4.025 1.00 0.00 H ATOM 259 N LEU A 151 108.130 136.403 8.063 1.00 5.65 N ATOM 260 CA LEU A 151 107.258 137.299 8.832 1.00 6.38 C ATOM 261 C LEU A 151 108.144 138.159 9.739 1.00 5.25 C ATOM 262 O LEU A 151 108.737 137.637 10.689 1.00 5.13 O ATOM 263 CB LEU A 151 106.291 136.492 9.708 1.00 4.47 C ATOM 264 CG LEU A 151 105.376 137.334 10.621 1.00 5.16 C ATOM 265 CD1 LEU A 151 104.394 138.202 9.781 1.00 5.54 C ATOM 266 CD2 LEU A 151 104.610 136.379 11.562 1.00 3.80 C ATOM 267 HA LEU A 151 106.677 137.916 8.147 1.00 0.00 H ATOM 268 HB2 LEU A 151 105.657 135.896 9.051 1.00 0.00 H ATOM 269 HB3 LEU A 151 106.881 135.829 10.340 1.00 0.00 H ATOM 270 HG LEU A 151 105.981 138.021 11.212 1.00 0.00 H ATOM 271 HD21 LEU A 151 104.011 135.689 10.968 1.00 0.00 H ATOM 272 HD22 LEU A 151 105.323 135.817 12.165 1.00 0.00 H ATOM 273 HD23 LEU A 151 103.958 136.960 12.215 1.00 0.00 H ATOM 274 HD11 LEU A 151 104.963 138.875 9.140 1.00 0.00 H ATOM 275 HD12 LEU A 151 103.772 137.552 9.166 1.00 0.00 H ATOM 276 HD13 LEU A 151 103.762 138.785 10.451 1.00 0.00 H ATOM 277 H LEU A 151 108.498 135.542 8.515 1.00 0.00 H ATOM 278 N PRO A 152 108.264 139.471 9.453 1.00 4.36 N ATOM 279 CA PRO A 152 109.105 140.320 10.315 1.00 3.52 C ATOM 280 C PRO A 152 108.405 140.464 11.658 1.00 5.24 C ATOM 281 O PRO A 152 107.177 140.389 11.718 1.00 6.19 O ATOM 282 CB PRO A 152 109.093 141.679 9.585 1.00 7.48 C ATOM 283 CG PRO A 152 108.770 141.314 8.122 1.00 6.70 C ATOM 284 CD PRO A 152 107.730 140.238 8.310 1.00 6.50 C ATOM 285 HA PRO A 152 110.110 139.934 10.485 1.00 0.00 H ATOM 286 HD3 PRO A 152 106.756 140.668 8.545 1.00 0.00 H ATOM 287 HD2 PRO A 152 107.645 139.613 7.421 1.00 0.00 H ATOM 288 HG3 PRO A 152 109.649 140.934 7.602 1.00 0.00 H ATOM 289 HG2 PRO A 152 108.368 142.168 7.577 1.00 0.00 H ATOM 290 HB2 PRO A 152 108.327 142.335 9.999 1.00 0.00 H ATOM 291 HB3 PRO A 152 110.065 142.167 9.657 1.00 0.00 H ATOM 292 N PHE A 153 109.169 140.644 12.731 1.00 5.78 N ATOM 293 CA PHE A 153 108.619 140.872 14.080 1.00 5.68 C ATOM 294 C PHE A 153 109.657 141.611 14.907 1.00 4.62 C ATOM 295 O PHE A 153 110.812 141.763 14.488 1.00 5.70 O ATOM 296 CB PHE A 153 108.192 139.569 14.787 1.00 4.33 C ATOM 297 CG PHE A 153 109.265 138.508 14.844 1.00 5.96 C ATOM 298 CD1 PHE A 153 110.265 138.544 15.833 1.00 5.19 C ATOM 299 CD2 PHE A 153 109.234 137.432 13.959 1.00 5.73 C ATOM 300 CE1 PHE A 153 111.215 137.509 15.944 1.00 5.33 C ATOM 301 CE2 PHE A 153 110.171 136.385 14.055 1.00 6.08 C ATOM 302 CZ PHE A 153 111.168 136.418 15.053 1.00 6.00 C ATOM 303 HA PHE A 153 107.712 141.468 13.978 1.00 0.00 H ATOM 304 HB2 PHE A 153 107.901 139.815 15.808 1.00 0.00 H ATOM 305 HB3 PHE A 153 107.334 139.158 14.255 1.00 0.00 H ATOM 306 HD2 PHE A 153 108.472 137.400 13.180 1.00 0.00 H ATOM 307 HE2 PHE A 153 110.126 135.548 13.358 1.00 0.00 H ATOM 308 HZ PHE A 153 111.894 135.609 15.134 1.00 0.00 H ATOM 309 HE1 PHE A 153 111.983 137.552 16.716 1.00 0.00 H ATOM 310 HD1 PHE A 153 110.306 139.386 16.524 1.00 0.00 H ATOM 311 H PHE A 153 110.202 140.623 12.614 1.00 0.00 H ATOM 312 N LYS A 154 109.244 142.067 16.083 1.00 5.01 N ATOM 313 CA LYS A 154 110.119 142.804 17.006 1.00 5.38 C ATOM 314 C LYS A 154 110.168 142.077 18.343 1.00 7.39 C ATOM 315 O LYS A 154 109.181 141.427 18.763 1.00 4.50 O ATOM 316 CB LYS A 154 109.575 144.222 17.273 1.00 5.93 C ATOM 317 CG LYS A 154 109.504 145.148 16.062 1.00 12.36 C ATOM 318 CD LYS A 154 110.878 145.514 15.522 1.00 8.64 C ATOM 319 CE LYS A 154 110.716 146.412 14.316 1.00 9.32 C ATOM 320 NZ LYS A 154 111.983 146.614 13.606 1.00 14.25 N ATOM 321 HA LYS A 154 111.107 142.868 16.549 1.00 0.00 H ATOM 322 HB2 LYS A 154 108.568 144.123 17.677 1.00 0.00 H ATOM 323 HB3 LYS A 154 110.219 144.692 18.016 1.00 0.00 H ATOM 324 HG2 LYS A 154 108.941 144.649 15.274 1.00 0.00 H ATOM 325 HG3 LYS A 154 108.988 146.063 16.352 1.00 0.00 H ATOM 326 HD2 LYS A 154 111.445 146.036 16.292 1.00 0.00 H ATOM 327 HD3 LYS A 154 111.410 144.607 15.233 1.00 0.00 H ATOM 328 HE2 LYS A 154 110.339 147.380 14.646 1.00 0.00 H ATOM 329 HE3 LYS A 154 109.998 145.958 13.633 1.00 0.00 H ATOM 330 HZ1 LYS A 154 112.673 147.054 14.248 1.00 0.00 H ATOM 331 HZ2 LYS A 154 112.347 145.696 13.281 1.00 0.00 H ATOM 332 HZ3 LYS A 154 111.825 147.235 12.787 1.00 0.00 H ATOM 333 H LYS A 154 108.258 141.895 16.364 1.00 0.00 H ATOM 334 N LYS A 155 111.302 142.212 19.025 1.00 6.71 N ATOM 335 CA LYS A 155 111.477 141.607 20.339 1.00 8.44 C ATOM 336 C LYS A 155 110.242 141.908 21.205 1.00 8.66 C ATOM 337 O LYS A 155 109.804 143.049 21.289 1.00 7.18 O ATOM 338 CB LYS A 155 112.735 142.160 21.026 1.00 6.41 C ATOM 339 CG LYS A 155 112.917 141.637 22.424 1.00 8.12 C ATOM 340 CD LYS A 155 114.276 142.039 22.971 1.00 21.18 C ATOM 341 CE LYS A 155 114.510 141.545 24.410 1.00 18.42 C ATOM 342 NZ LYS A 155 113.783 142.371 25.417 1.00 30.68 N ATOM 343 HA LYS A 155 111.593 140.530 20.219 1.00 0.00 H ATOM 344 HB2 LYS A 155 113.606 141.880 20.434 1.00 0.00 H ATOM 345 HB3 LYS A 155 112.659 143.247 21.068 1.00 0.00 H ATOM 346 HG2 LYS A 155 112.137 142.047 23.065 1.00 0.00 H ATOM 347 HG3 LYS A 155 112.842 140.550 22.413 1.00 0.00 H ATOM 348 HD2 LYS A 155 115.049 141.618 22.328 1.00 0.00 H ATOM 349 HD3 LYS A 155 114.348 143.127 22.960 1.00 0.00 H ATOM 350 HE2 LYS A 155 115.577 141.587 24.626 1.00 0.00 H ATOM 351 HE3 LYS A 155 114.165 140.514 24.487 1.00 0.00 H ATOM 352 HZ1 LYS A 155 114.110 143.356 25.357 1.00 0.00 H ATOM 353 HZ2 LYS A 155 112.762 142.331 25.224 1.00 0.00 H ATOM 354 HZ3 LYS A 155 113.972 141.999 26.370 1.00 0.00 H ATOM 355 H LYS A 155 112.082 142.762 18.611 1.00 0.00 H ATOM 356 N GLY A 156 109.676 140.877 21.820 1.00 6.13 N ATOM 357 CA GLY A 156 108.521 141.094 22.669 1.00 7.49 C ATOM 358 C GLY A 156 107.194 140.701 22.055 1.00 7.17 C ATOM 359 O GLY A 156 106.242 140.441 22.792 1.00 7.47 O ATOM 360 HA3 GLY A 156 108.478 142.154 22.918 1.00 0.00 H ATOM 361 HA2 GLY A 156 108.657 140.513 23.581 1.00 0.00 H ATOM 362 H GLY A 156 110.059 139.918 21.694 1.00 0.00 H ATOM 363 N ASP A 157 107.108 140.684 20.722 1.00 5.78 N ATOM 364 CA ASP A 157 105.868 140.296 20.029 1.00 4.01 C ATOM 365 C ASP A 157 105.460 138.867 20.379 1.00 4.02 C ATOM 366 O ASP A 157 106.331 137.980 20.521 1.00 4.88 O ATOM 367 CB ASP A 157 106.052 140.291 18.510 1.00 4.34 C ATOM 368 CG ASP A 157 106.144 141.675 17.898 1.00 6.62 C ATOM 369 OD1 ASP A 157 105.867 142.690 18.588 1.00 5.90 O ATOM 370 OD2 ASP A 157 106.473 141.714 16.686 1.00 5.14 O ATOM 371 HA ASP A 157 105.120 141.023 20.344 1.00 0.00 H ATOM 372 HB2 ASP A 157 106.969 139.751 18.277 1.00 0.00 H ATOM 373 HB3 ASP A 157 105.203 139.773 18.063 1.00 0.00 H ATOM 374 H ASP A 157 107.940 140.952 20.158 1.00 0.00 H ATOM 375 N ILE A 158 104.150 138.635 20.433 1.00 3.63 N ATOM 376 CA ILE A 158 103.604 137.302 20.693 1.00 6.65 C ATOM 377 C ILE A 158 103.067 136.801 19.347 1.00 5.28 C ATOM 378 O ILE A 158 102.258 137.483 18.694 1.00 5.48 O ATOM 379 CB ILE A 158 102.475 137.322 21.753 1.00 8.77 C ATOM 380 CG1 ILE A 158 102.980 137.960 23.056 1.00 8.53 C ATOM 381 CG2 ILE A 158 101.974 135.872 22.004 1.00 8.96 C ATOM 382 CD1 ILE A 158 104.080 137.200 23.704 1.00 11.84 C ATOM 383 HA ILE A 158 104.377 136.649 21.099 1.00 0.00 H ATOM 384 HB ILE A 158 101.643 137.922 21.385 1.00 0.00 H ATOM 385 HG12 ILE A 158 103.340 138.964 22.831 1.00 0.00 H ATOM 386 HG13 ILE A 158 102.146 138.023 23.755 1.00 0.00 H ATOM 387 HD11 ILE A 158 103.732 136.196 23.946 1.00 0.00 H ATOM 388 HD12 ILE A 158 104.928 137.138 23.022 1.00 0.00 H ATOM 389 HD13 ILE A 158 104.384 137.711 24.618 1.00 0.00 H ATOM 390 HG21 ILE A 158 101.591 135.455 21.073 1.00 0.00 H ATOM 391 HG22 ILE A 158 102.801 135.261 22.365 1.00 0.00 H ATOM 392 HG23 ILE A 158 101.180 135.887 22.750 1.00 0.00 H ATOM 393 H ILE A 158 103.493 139.427 20.286 1.00 0.00 H ATOM 394 N LEU A 159 103.540 135.628 18.923 1.00 4.21 N ATOM 395 CA LEU A 159 103.144 135.067 17.638 1.00 4.57 C ATOM 396 C LEU A 159 102.501 133.727 17.871 1.00 3.76 C ATOM 397 O LEU A 159 102.852 133.023 18.826 1.00 7.69 O ATOM 398 CB LEU A 159 104.362 134.895 16.724 1.00 4.09 C ATOM 399 CG LEU A 159 105.296 136.103 16.568 1.00 6.68 C ATOM 400 CD1 LEU A 159 106.671 135.692 16.084 1.00 10.54 C ATOM 401 CD2 LEU A 159 104.694 137.083 15.633 1.00 13.80 C ATOM 402 HA LEU A 159 102.442 135.746 17.154 1.00 0.00 H ATOM 403 HB2 LEU A 159 104.955 134.070 17.119 1.00 0.00 H ATOM 404 HB3 LEU A 159 103.994 134.634 15.732 1.00 0.00 H ATOM 405 HG LEU A 159 105.419 136.562 17.549 1.00 0.00 H ATOM 406 HD21 LEU A 159 104.546 136.612 14.661 1.00 0.00 H ATOM 407 HD22 LEU A 159 103.734 137.416 16.027 1.00 0.00 H ATOM 408 HD23 LEU A 159 105.361 137.938 15.526 1.00 0.00 H ATOM 409 HD11 LEU A 159 107.117 135.004 16.802 1.00 0.00 H ATOM 410 HD12 LEU A 159 106.582 135.200 15.115 1.00 0.00 H ATOM 411 HD13 LEU A 159 107.300 136.577 15.987 1.00 0.00 H ATOM 412 H LEU A 159 104.207 135.102 19.523 1.00 0.00 H ATOM 413 N ARG A 160 101.508 133.396 17.051 1.00 4.89 N ATOM 414 CA ARG A 160 100.838 132.111 17.189 1.00 5.46 C ATOM 415 C ARG A 160 101.387 131.194 16.101 1.00 4.20 C ATOM 416 O ARG A 160 101.457 131.567 14.928 1.00 5.70 O ATOM 417 CB ARG A 160 99.318 132.235 17.070 1.00 2.89 C ATOM 418 CG ARG A 160 98.607 130.915 17.488 1.00 6.31 C ATOM 419 CD ARG A 160 97.095 131.017 17.362 1.00 6.89 C ATOM 420 NE ARG A 160 96.679 131.352 16.001 1.00 7.98 N ATOM 421 CZ ARG A 160 96.656 130.488 14.980 1.00 6.96 C ATOM 422 NH1 ARG A 160 97.021 129.221 15.164 1.00 10.45 N ATOM 423 NH2 ARG A 160 96.294 130.905 13.769 1.00 5.93 N ATOM 424 HA ARG A 160 101.032 131.705 18.182 1.00 0.00 H ATOM 425 HB2 ARG A 160 98.976 133.043 17.717 1.00 0.00 H ATOM 426 HB3 ARG A 160 99.060 132.465 16.036 1.00 0.00 H ATOM 427 HG2 ARG A 160 98.960 130.107 16.847 1.00 0.00 H ATOM 428 HG3 ARG A 160 98.860 130.692 18.525 1.00 0.00 H ATOM 429 HD2 ARG A 160 96.737 131.791 18.040 1.00 0.00 H ATOM 430 HD3 ARG A 160 96.653 130.060 17.640 1.00 0.00 H ATOM 431 HE ARG A 160 96.380 132.330 15.814 1.00 0.00 H ATOM 432 HH12 ARG A 160 97.001 128.553 14.367 1.00 0.00 H ATOM 433 HH11 ARG A 160 97.326 128.899 16.105 1.00 0.00 H ATOM 434 HH22 ARG A 160 96.275 130.236 12.973 1.00 0.00 H ATOM 435 HH21 ARG A 160 96.030 131.900 13.619 1.00 0.00 H ATOM 436 H ARG A 160 101.208 134.058 16.307 1.00 0.00 H ATOM 437 N ILE A 161 101.762 129.991 16.493 1.00 2.31 N ATOM 438 CA ILE A 161 102.329 129.032 15.556 1.00 4.95 C ATOM 439 C ILE A 161 101.230 128.304 14.783 1.00 5.27 C ATOM 440 O ILE A 161 100.307 127.714 15.361 1.00 6.93 O ATOM 441 CB ILE A 161 103.259 127.985 16.287 1.00 5.17 C ATOM 442 CG1 ILE A 161 104.342 128.714 17.096 1.00 4.86 C ATOM 443 CG2 ILE A 161 103.887 127.011 15.275 1.00 2.41 C ATOM 444 CD1 ILE A 161 105.169 129.725 16.269 1.00 5.85 C ATOM 445 HA ILE A 161 102.939 129.596 14.851 1.00 0.00 H ATOM 446 HB ILE A 161 102.650 127.400 16.976 1.00 0.00 H ATOM 447 HG12 ILE A 161 103.858 129.252 17.911 1.00 0.00 H ATOM 448 HG13 ILE A 161 105.023 127.969 17.508 1.00 0.00 H ATOM 449 HD11 ILE A 161 105.671 129.202 15.455 1.00 0.00 H ATOM 450 HD12 ILE A 161 104.505 130.486 15.859 1.00 0.00 H ATOM 451 HD13 ILE A 161 105.912 130.197 16.912 1.00 0.00 H ATOM 452 HG21 ILE A 161 103.096 126.474 14.751 1.00 0.00 H ATOM 453 HG22 ILE A 161 104.485 127.571 14.556 1.00 0.00 H ATOM 454 HG23 ILE A 161 104.523 126.300 15.803 1.00 0.00 H ATOM 455 H ILE A 161 101.650 129.723 17.492 1.00 0.00 H ATOM 456 N ARG A 162 101.354 128.315 13.473 1.00 4.49 N ATOM 457 CA ARG A 162 100.375 127.675 12.627 1.00 5.69 C ATOM 458 C ARG A 162 100.838 126.374 12.006 1.00 7.64 C ATOM 459 O ARG A 162 100.015 125.480 11.770 1.00 7.43 O ATOM 460 CB ARG A 162 99.975 128.618 11.492 1.00 7.12 C ATOM 461 CG ARG A 162 99.358 129.941 11.896 1.00 5.09 C ATOM 462 CD ARG A 162 99.002 130.747 10.632 1.00 5.56 C ATOM 463 NE ARG A 162 97.962 130.086 9.822 1.00 5.81 N ATOM 464 CZ ARG A 162 98.128 129.614 8.586 1.00 7.08 C ATOM 465 NH1 ARG A 162 99.302 129.711 7.959 1.00 6.82 N ATOM 466 NH2 ARG A 162 97.100 129.051 7.967 1.00 6.23 N ATOM 467 HA ARG A 162 99.537 127.442 13.284 1.00 0.00 H ATOM 468 HB2 ARG A 162 100.871 128.834 10.910 1.00 0.00 H ATOM 469 HB3 ARG A 162 99.254 128.094 10.865 1.00 0.00 H ATOM 470 HG2 ARG A 162 98.455 129.759 12.478 1.00 0.00 H ATOM 471 HG3 ARG A 162 100.069 130.505 12.499 1.00 0.00 H ATOM 472 HD2 ARG A 162 99.900 130.862 10.025 1.00 0.00 H ATOM 473 HD3 ARG A 162 98.640 131.730 10.933 1.00 0.00 H ATOM 474 HE ARG A 162 97.020 129.979 10.251 1.00 0.00 H ATOM 475 HH12 ARG A 162 99.409 129.336 6.995 1.00 0.00 H ATOM 476 HH11 ARG A 162 100.110 130.162 8.434 1.00 0.00 H ATOM 477 HH22 ARG A 162 97.214 128.678 7.003 1.00 0.00 H ATOM 478 HH21 ARG A 162 96.179 128.982 8.446 1.00 0.00 H ATOM 479 H ARG A 162 102.170 128.792 13.040 1.00 0.00 H ATOM 480 N ASP A 163 102.135 126.247 11.731 1.00 4.87 N ATOM 481 CA ASP A 163 102.619 125.043 11.066 1.00 7.90 C ATOM 482 C ASP A 163 104.120 124.891 11.295 1.00 6.47 C ATOM 483 O ASP A 163 104.817 125.886 11.516 1.00 7.26 O ATOM 484 CB ASP A 163 102.338 125.177 9.560 1.00 12.85 C ATOM 485 CG ASP A 163 102.449 123.858 8.812 1.00 17.53 C ATOM 486 OD1 ASP A 163 102.153 122.810 9.403 1.00 18.90 O ATOM 487 OD2 ASP A 163 102.827 123.887 7.628 1.00 18.90 O ATOM 488 HA ASP A 163 102.113 124.166 11.469 1.00 0.00 H ATOM 489 HB2 ASP A 163 101.328 125.567 9.429 1.00 0.00 H ATOM 490 HB3 ASP A 163 103.055 125.879 9.134 1.00 0.00 H ATOM 491 H ASP A 163 102.800 127.004 11.990 1.00 0.00 H ATOM 492 N LYS A 164 104.589 123.647 11.266 1.00 5.40 N ATOM 493 CA LYS A 164 106.008 123.337 11.452 1.00 9.24 C ATOM 494 C LYS A 164 106.510 122.489 10.277 1.00 6.65 C ATOM 495 O LYS A 164 106.732 121.279 10.407 1.00 8.65 O ATOM 496 CB LYS A 164 106.239 122.638 12.795 1.00 7.00 C ATOM 497 CG LYS A 164 105.753 123.495 13.939 1.00 8.45 C ATOM 498 CD LYS A 164 106.119 122.940 15.282 1.00 6.35 C ATOM 499 CE LYS A 164 105.682 123.938 16.345 1.00 8.93 C ATOM 500 NZ LYS A 164 106.033 123.469 17.697 1.00 8.81 N ATOM 501 HA LYS A 164 106.579 124.265 11.471 1.00 0.00 H ATOM 502 HB2 LYS A 164 105.698 121.692 12.803 1.00 0.00 H ATOM 503 HB3 LYS A 164 107.305 122.447 12.920 1.00 0.00 H ATOM 504 HG2 LYS A 164 106.193 124.488 13.841 1.00 0.00 H ATOM 505 HG3 LYS A 164 104.667 123.572 13.879 1.00 0.00 H ATOM 506 HD2 LYS A 164 105.612 121.988 15.439 1.00 0.00 H ATOM 507 HD3 LYS A 164 107.197 122.789 15.338 1.00 0.00 H ATOM 508 HE2 LYS A 164 104.602 124.071 16.284 1.00 0.00 H ATOM 509 HE3 LYS A 164 106.176 124.892 16.161 1.00 0.00 H ATOM 510 HZ1 LYS A 164 105.561 122.561 17.881 1.00 0.00 H ATOM 511 HZ2 LYS A 164 107.063 123.345 17.763 1.00 0.00 H ATOM 512 HZ3 LYS A 164 105.722 124.171 18.398 1.00 0.00 H ATOM 513 H LYS A 164 103.923 122.865 11.105 1.00 0.00 H ATOM 514 N PRO A 165 106.661 123.121 9.100 1.00 7.39 N ATOM 515 CA PRO A 165 107.124 122.401 7.919 1.00 9.64 C ATOM 516 C PRO A 165 108.584 121.970 8.027 1.00 12.25 C ATOM 517 O PRO A 165 109.024 121.087 7.287 1.00 14.20 O ATOM 518 CB PRO A 165 106.885 123.413 6.795 1.00 12.68 C ATOM 519 CG PRO A 165 107.055 124.753 7.486 1.00 9.78 C ATOM 520 CD PRO A 165 106.384 124.547 8.797 1.00 7.29 C ATOM 521 HA PRO A 165 106.601 121.458 7.761 1.00 0.00 H ATOM 522 HD3 PRO A 165 106.809 125.199 9.560 1.00 0.00 H ATOM 523 HD2 PRO A 165 105.312 124.730 8.721 1.00 0.00 H ATOM 524 HG3 PRO A 165 106.571 125.549 6.920 1.00 0.00 H ATOM 525 HG2 PRO A 165 108.110 124.993 7.620 1.00 0.00 H ATOM 526 HB2 PRO A 165 107.617 123.290 5.997 1.00 0.00 H ATOM 527 HB3 PRO A 165 105.881 123.310 6.384 1.00 0.00 H ATOM 528 N GLU A 166 109.317 122.567 8.968 1.00 10.88 N ATOM 529 CA GLU A 166 110.730 122.252 9.203 1.00 10.62 C ATOM 530 C GLU A 166 110.966 122.356 10.702 1.00 13.56 C ATOM 531 O GLU A 166 110.224 123.036 11.410 1.00 9.37 O ATOM 532 CB GLU A 166 111.645 123.295 8.559 1.00 23.81 C ATOM 533 CG GLU A 166 111.626 123.382 7.063 1.00 27.84 C ATOM 534 CD GLU A 166 112.519 124.505 6.580 1.00 16.71 C ATOM 535 OE1 GLU A 166 113.641 124.665 7.129 1.00 17.58 O ATOM 536 OE2 GLU A 166 112.088 125.229 5.665 1.00 39.53 O ATOM 537 HA GLU A 166 110.945 121.266 8.790 1.00 0.00 H ATOM 538 HB2 GLU A 166 111.358 124.271 8.950 1.00 0.00 H ATOM 539 HB3 GLU A 166 112.667 123.069 8.863 1.00 0.00 H ATOM 540 HG2 GLU A 166 111.979 122.439 6.645 1.00 0.00 H ATOM 541 HG3 GLU A 166 110.605 123.567 6.728 1.00 0.00 H ATOM 542 H GLU A 166 108.865 123.290 9.563 1.00 0.00 H ATOM 543 N GLU A 167 112.081 121.797 11.162 1.00 7.86 N ATOM 544 CA GLU A 167 112.404 121.852 12.578 1.00 5.76 C ATOM 545 C GLU A 167 112.671 123.274 13.091 1.00 9.40 C ATOM 546 O GLU A 167 112.167 123.645 14.169 1.00 7.31 O ATOM 547 CB GLU A 167 113.619 120.971 12.871 1.00 10.14 C ATOM 548 CG GLU A 167 113.362 119.490 12.606 1.00 18.39 C ATOM 549 CD GLU A 167 114.640 118.683 12.523 1.00 36.76 C ATOM 550 OE1 GLU A 167 115.353 118.582 13.546 1.00 40.89 O ATOM 551 OE2 GLU A 167 114.931 118.149 11.429 1.00 38.74 O ATOM 552 HA GLU A 167 111.525 121.484 13.106 1.00 0.00 H ATOM 553 HB2 GLU A 167 114.446 121.298 12.240 1.00 0.00 H ATOM 554 HB3 GLU A 167 113.893 121.094 13.919 1.00 0.00 H ATOM 555 HG2 GLU A 167 112.749 119.092 13.415 1.00 0.00 H ATOM 556 HG3 GLU A 167 112.825 119.392 11.663 1.00 0.00 H ATOM 557 H GLU A 167 112.727 121.317 10.504 1.00 0.00 H ATOM 558 N GLN A 168 113.412 124.077 12.309 1.00 6.44 N ATOM 559 CA GLN A 168 113.815 125.416 12.739 1.00 5.06 C ATOM 560 C GLN A 168 113.145 126.644 12.131 1.00 3.86 C ATOM 561 O GLN A 168 113.480 127.765 12.508 1.00 5.63 O ATOM 562 CB GLN A 168 115.335 125.569 12.600 1.00 7.49 C ATOM 563 CG GLN A 168 116.147 124.448 13.219 1.00 11.87 C ATOM 564 CD GLN A 168 115.969 124.314 14.716 1.00 24.32 C ATOM 565 OE1 GLN A 168 116.019 123.194 15.252 1.00 32.11 O ATOM 566 NE2 GLN A 168 115.781 125.442 15.411 1.00 20.36 N ATOM 567 HA GLN A 168 113.453 125.430 13.767 1.00 0.00 H ATOM 568 HB2 GLN A 168 115.576 125.616 11.538 1.00 0.00 H ATOM 569 HB3 GLN A 168 115.627 126.504 13.079 1.00 0.00 H ATOM 570 HG2 GLN A 168 115.848 123.509 12.752 1.00 0.00 H ATOM 571 HG3 GLN A 168 117.201 124.634 13.014 1.00 0.00 H ATOM 572 HE22 GLN A 168 115.746 126.357 14.918 1.00 0.00 H ATOM 573 HE21 GLN A 168 115.670 125.404 16.444 1.00 0.00 H ATOM 574 H GLN A 168 113.707 123.737 11.372 1.00 0.00 H ATOM 575 N TRP A 169 112.219 126.438 11.196 1.00 5.04 N ATOM 576 CA TRP A 169 111.492 127.514 10.542 1.00 3.22 C ATOM 577 C TRP A 169 110.015 127.113 10.589 1.00 9.69 C ATOM 578 O TRP A 169 109.619 126.069 10.047 1.00 8.24 O ATOM 579 CB TRP A 169 111.954 127.666 9.097 1.00 7.23 C ATOM 580 CG TRP A 169 113.267 128.377 8.957 1.00 5.80 C ATOM 581 CD1 TRP A 169 114.526 127.810 8.839 1.00 4.95 C ATOM 582 CD2 TRP A 169 113.463 129.795 8.920 1.00 4.90 C ATOM 583 NE1 TRP A 169 115.483 128.803 8.730 1.00 4.16 N ATOM 584 CE2 TRP A 169 114.860 130.033 8.773 1.00 4.88 C ATOM 585 CE3 TRP A 169 112.591 130.898 8.983 1.00 6.28 C ATOM 586 CZ2 TRP A 169 115.403 131.334 8.688 1.00 4.30 C ATOM 587 CZ3 TRP A 169 113.143 132.208 8.898 1.00 4.26 C ATOM 588 CH2 TRP A 169 114.532 132.403 8.748 1.00 5.41 C ATOM 589 HA TRP A 169 111.663 128.470 11.037 1.00 0.00 H ATOM 590 HB2 TRP A 169 112.052 126.672 8.660 1.00 0.00 H ATOM 591 HB3 TRP A 169 111.197 128.229 8.551 1.00 0.00 H ATOM 592 HE1 TRP A 169 116.507 128.647 8.632 1.00 0.00 H ATOM 593 HD1 TRP A 169 114.732 126.740 8.833 1.00 0.00 H ATOM 594 HZ2 TRP A 169 116.476 131.489 8.578 1.00 0.00 H ATOM 595 HH2 TRP A 169 114.925 133.417 8.678 1.00 0.00 H ATOM 596 HZ3 TRP A 169 112.482 133.073 8.950 1.00 0.00 H ATOM 597 HE3 TRP A 169 111.516 130.753 9.094 1.00 0.00 H ATOM 598 H TRP A 169 112.005 125.458 10.920 1.00 0.00 H ATOM 599 N TRP A 170 109.212 127.929 11.270 1.00 4.74 N ATOM 600 CA TRP A 170 107.788 127.652 11.435 1.00 4.78 C ATOM 601 C TRP A 170 106.930 128.761 10.830 1.00 2.00 C ATOM 602 O TRP A 170 107.369 129.909 10.700 1.00 5.05 O ATOM 603 CB TRP A 170 107.477 127.564 12.937 1.00 2.37 C ATOM 604 CG TRP A 170 108.153 126.425 13.672 1.00 5.40 C ATOM 605 CD1 TRP A 170 108.813 125.356 13.124 1.00 8.03 C ATOM 606 CD2 TRP A 170 108.240 126.251 15.101 1.00 5.16 C ATOM 607 NE1 TRP A 170 109.310 124.542 14.118 1.00 7.52 N ATOM 608 CE2 TRP A 170 108.970 125.070 15.340 1.00 8.27 C ATOM 609 CE3 TRP A 170 107.763 126.991 16.196 1.00 4.40 C ATOM 610 CZ2 TRP A 170 109.244 124.606 16.637 1.00 7.99 C ATOM 611 CZ3 TRP A 170 108.032 126.538 17.478 1.00 3.34 C ATOM 612 CH2 TRP A 170 108.769 125.354 17.690 1.00 8.21 C ATOM 613 HA TRP A 170 107.558 126.717 10.925 1.00 0.00 H ATOM 614 HB2 TRP A 170 107.791 128.499 13.402 1.00 0.00 H ATOM 615 HB3 TRP A 170 106.399 127.447 13.052 1.00 0.00 H ATOM 616 HE1 TRP A 170 109.855 123.669 13.968 1.00 0.00 H ATOM 617 HD1 TRP A 170 108.928 125.176 12.055 1.00 0.00 H ATOM 618 HZ2 TRP A 170 109.810 123.690 16.803 1.00 0.00 H ATOM 619 HH2 TRP A 170 108.967 125.024 18.710 1.00 0.00 H ATOM 620 HZ3 TRP A 170 107.669 127.105 18.335 1.00 0.00 H ATOM 621 HE3 TRP A 170 107.191 127.906 16.040 1.00 0.00 H ATOM 622 H TRP A 170 109.611 128.789 11.697 1.00 0.00 H ATOM 623 N ASN A 171 105.709 128.429 10.435 1.00 4.99 N ATOM 624 CA ASN A 171 104.790 129.455 9.918 1.00 6.08 C ATOM 625 C ASN A 171 104.016 129.966 11.147 1.00 6.22 C ATOM 626 O ASN A 171 103.523 129.170 11.980 1.00 4.37 O ATOM 627 CB ASN A 171 103.813 128.903 8.865 1.00 6.26 C ATOM 628 CG ASN A 171 102.938 130.009 8.256 1.00 13.35 C ATOM 629 OD1 ASN A 171 101.923 130.428 8.843 1.00 11.67 O ATOM 630 ND2 ASN A 171 103.378 130.547 7.115 1.00 13.81 N ATOM 631 HA ASN A 171 105.348 130.243 9.412 1.00 0.00 H ATOM 632 HB2 ASN A 171 104.385 128.428 8.068 1.00 0.00 H ATOM 633 HB3 ASN A 171 103.167 128.163 9.338 1.00 0.00 H ATOM 634 HD22 ASN A 171 104.231 130.167 6.656 1.00 0.00 H ATOM 635 HD21 ASN A 171 102.868 131.345 6.686 1.00 0.00 H ATOM 636 H ASN A 171 105.399 127.438 10.491 1.00 0.00 H ATOM 637 N ALA A 172 103.930 131.289 11.261 1.00 5.06 N ATOM 638 CA ALA A 172 103.268 131.912 12.398 1.00 7.28 C ATOM 639 C ALA A 172 102.378 133.088 11.984 1.00 4.70 C ATOM 640 O ALA A 172 102.469 133.594 10.861 1.00 6.44 O ATOM 641 CB ALA A 172 104.329 132.379 13.438 1.00 5.94 C ATOM 642 HA ALA A 172 102.617 131.162 12.848 1.00 0.00 H ATOM 643 HB1 ALA A 172 104.902 131.518 13.782 1.00 0.00 H ATOM 644 HB2 ALA A 172 105.000 133.101 12.972 1.00 0.00 H ATOM 645 HB3 ALA A 172 103.825 132.844 14.285 1.00 0.00 H ATOM 646 H ALA A 172 104.345 131.891 10.522 1.00 0.00 H ATOM 647 N GLU A 173 101.546 133.520 12.921 1.00 5.27 N ATOM 648 CA GLU A 173 100.621 134.624 12.706 1.00 4.56 C ATOM 649 C GLU A 173 100.871 135.670 13.784 1.00 5.99 C ATOM 650 O GLU A 173 101.006 135.322 14.971 1.00 5.08 O ATOM 651 CB GLU A 173 99.164 134.120 12.805 1.00 4.22 C ATOM 652 CG GLU A 173 98.115 135.247 12.684 1.00 5.52 C ATOM 653 CD GLU A 173 96.693 134.800 12.971 1.00 16.44 C ATOM 654 OE1 GLU A 173 96.436 133.588 12.987 1.00 13.73 O ATOM 655 OE2 GLU A 173 95.812 135.666 13.178 1.00 16.04 O ATOM 656 HA GLU A 173 100.776 135.052 11.716 1.00 0.00 H ATOM 657 HB2 GLU A 173 98.992 133.400 12.005 1.00 0.00 H ATOM 658 HB3 GLU A 173 99.033 133.628 13.769 1.00 0.00 H ATOM 659 HG2 GLU A 173 98.376 136.036 13.390 1.00 0.00 H ATOM 660 HG3 GLU A 173 98.152 135.643 11.669 1.00 0.00 H ATOM 661 H GLU A 173 101.554 133.051 13.849 1.00 0.00 H ATOM 662 N ASP A 174 100.924 136.943 13.373 1.00 4.21 N ATOM 663 CA ASP A 174 101.133 138.043 14.324 1.00 3.50 C ATOM 664 C ASP A 174 99.802 138.661 14.798 1.00 2.62 C ATOM 665 O ASP A 174 98.722 138.241 14.353 1.00 4.93 O ATOM 666 CB ASP A 174 102.139 139.083 13.797 1.00 3.97 C ATOM 667 CG ASP A 174 101.626 139.884 12.594 1.00 5.42 C ATOM 668 OD1 ASP A 174 100.404 139.998 12.391 1.00 5.12 O ATOM 669 OD2 ASP A 174 102.486 140.451 11.876 1.00 5.48 O ATOM 670 HA ASP A 174 101.593 137.616 15.215 1.00 0.00 H ATOM 671 HB2 ASP A 174 102.367 139.780 14.603 1.00 0.00 H ATOM 672 HB3 ASP A 174 103.049 138.562 13.501 1.00 0.00 H ATOM 673 H ASP A 174 100.815 137.157 12.361 1.00 0.00 H ATOM 674 N SER A 175 99.877 139.648 15.691 1.00 5.32 N ATOM 675 CA SER A 175 98.678 140.243 16.268 1.00 5.43 C ATOM 676 C SER A 175 97.766 140.989 15.293 1.00 5.00 C ATOM 677 O SER A 175 96.628 141.311 15.649 1.00 7.43 O ATOM 678 CB SER A 175 99.044 141.114 17.471 1.00 6.89 C ATOM 679 OG SER A 175 99.734 142.273 17.087 1.00 7.22 O ATOM 680 HA SER A 175 98.071 139.397 16.590 1.00 0.00 H ATOM 681 HB2 SER A 175 99.674 140.536 18.146 1.00 0.00 H ATOM 682 HB3 SER A 175 98.129 141.403 17.988 1.00 0.00 H ATOM 683 HG SER A 175 99.952 142.808 17.891 1.00 0.00 H ATOM 684 H SER A 175 100.811 140.001 15.982 1.00 0.00 H ATOM 685 N GLU A 176 98.275 141.286 14.093 1.00 4.61 N ATOM 686 CA GLU A 176 97.502 141.962 13.044 1.00 5.43 C ATOM 687 C GLU A 176 96.967 140.926 12.050 1.00 8.13 C ATOM 688 O GLU A 176 96.418 141.296 10.995 1.00 11.11 O ATOM 689 CB GLU A 176 98.391 142.924 12.236 1.00 10.91 C ATOM 690 CG GLU A 176 98.853 144.162 12.926 1.00 12.76 C ATOM 691 CD GLU A 176 99.694 145.035 11.996 1.00 9.56 C ATOM 692 OE1 GLU A 176 100.530 144.497 11.233 1.00 19.86 O ATOM 693 OE2 GLU A 176 99.490 146.248 12.000 1.00 19.50 O ATOM 694 HA GLU A 176 96.696 142.508 13.534 1.00 0.00 H ATOM 695 HB2 GLU A 176 99.277 142.370 11.926 1.00 0.00 H ATOM 696 HB3 GLU A 176 97.828 143.230 11.354 1.00 0.00 H ATOM 697 HG2 GLU A 176 97.983 144.730 13.257 1.00 0.00 H ATOM 698 HG3 GLU A 176 99.454 143.883 13.792 1.00 0.00 H ATOM 699 H GLU A 176 99.262 141.027 13.894 1.00 0.00 H ATOM 700 N GLY A 177 97.263 139.649 12.306 1.00 3.64 N ATOM 701 CA GLY A 177 96.811 138.591 11.424 1.00 7.42 C ATOM 702 C GLY A 177 97.738 138.274 10.256 1.00 6.66 C ATOM 703 O GLY A 177 97.389 137.439 9.428 1.00 5.85 O ATOM 704 HA3 GLY A 177 95.843 138.883 11.016 1.00 0.00 H ATOM 705 HA2 GLY A 177 96.695 137.684 12.018 1.00 0.00 H ATOM 706 H GLY A 177 97.825 139.411 13.148 1.00 0.00 H ATOM 707 N LYS A 178 98.911 138.912 10.174 1.00 4.33 N ATOM 708 CA LYS A 178 99.841 138.604 9.085 1.00 5.40 C ATOM 709 C LYS A 178 100.528 137.257 9.346 1.00 6.28 C ATOM 710 O LYS A 178 100.746 136.895 10.508 1.00 6.82 O ATOM 711 CB LYS A 178 100.847 139.728 8.910 1.00 7.66 C ATOM 712 CG LYS A 178 100.143 141.045 8.648 1.00 9.11 C ATOM 713 CD LYS A 178 101.074 142.113 8.118 1.00 16.48 C ATOM 714 CE LYS A 178 101.887 141.628 6.945 1.00 38.45 C ATOM 715 NZ LYS A 178 103.228 142.227 7.046 1.00 44.76 N ATOM 716 HA LYS A 178 99.285 138.519 8.151 1.00 0.00 H ATOM 717 HB2 LYS A 178 101.446 139.817 9.817 1.00 0.00 H ATOM 718 HB3 LYS A 178 101.498 139.497 8.067 1.00 0.00 H ATOM 719 HG2 LYS A 178 99.352 140.878 7.917 1.00 0.00 H ATOM 720 HG3 LYS A 178 99.704 141.397 9.582 1.00 0.00 H ATOM 721 HD2 LYS A 178 100.481 142.972 7.803 1.00 0.00 H ATOM 722 HD3 LYS A 178 101.753 142.415 8.916 1.00 0.00 H ATOM 723 HE2 LYS A 178 101.413 141.935 6.013 1.00 0.00 H ATOM 724 HE3 LYS A 178 101.964 140.541 6.971 1.00 0.00 H ATOM 725 HZ1 LYS A 178 103.146 143.264 7.024 1.00 0.00 H ATOM 726 HZ2 LYS A 178 103.672 141.932 7.939 1.00 0.00 H ATOM 727 HZ3 LYS A 178 103.810 141.907 6.246 1.00 0.00 H ATOM 728 H LYS A 178 99.163 139.628 10.885 1.00 0.00 H ATOM 729 N ARG A 179 100.840 136.530 8.267 1.00 6.49 N ATOM 730 CA ARG A 179 101.467 135.203 8.336 1.00 5.57 C ATOM 731 C ARG A 179 102.808 135.181 7.642 1.00 6.52 C ATOM 732 O ARG A 179 103.030 135.906 6.674 1.00 7.98 O ATOM 733 CB ARG A 179 100.604 134.165 7.613 1.00 6.17 C ATOM 734 CG ARG A 179 99.228 133.942 8.183 1.00 7.31 C ATOM 735 CD ARG A 179 98.420 133.034 7.261 1.00 7.55 C ATOM 736 NE ARG A 179 97.094 132.782 7.813 1.00 12.04 N ATOM 737 CZ ARG A 179 96.137 132.061 7.227 1.00 6.69 C ATOM 738 NH1 ARG A 179 96.337 131.498 6.033 1.00 8.60 N ATOM 739 NH2 ARG A 179 94.978 131.913 7.849 1.00 9.23 N ATOM 740 HA ARG A 179 101.578 134.975 9.396 1.00 0.00 H ATOM 741 HB2 ARG A 179 100.489 134.488 6.578 1.00 0.00 H ATOM 742 HB3 ARG A 179 101.135 133.213 7.638 1.00 0.00 H ATOM 743 HG2 ARG A 179 99.315 133.475 9.164 1.00 0.00 H ATOM 744 HG3 ARG A 179 98.719 134.901 8.282 1.00 0.00 H ATOM 745 HD2 ARG A 179 98.945 132.086 7.144 1.00 0.00 H ATOM 746 HD3 ARG A 179 98.317 133.514 6.288 1.00 0.00 H ATOM 747 HE ARG A 179 96.876 133.199 8.741 1.00 0.00 H ATOM 748 HH12 ARG A 179 95.581 130.939 5.589 1.00 0.00 H ATOM 749 HH11 ARG A 179 97.249 131.619 5.547 1.00 0.00 H ATOM 750 HH22 ARG A 179 94.219 131.355 7.409 1.00 0.00 H ATOM 751 HH21 ARG A 179 94.826 132.355 8.778 1.00 0.00 H ATOM 752 H ARG A 179 100.627 136.925 7.329 1.00 0.00 H ATOM 753 N GLY A 180 103.689 134.304 8.111 1.00 4.76 N ATOM 754 CA GLY A 180 104.982 134.168 7.471 1.00 6.41 C ATOM 755 C GLY A 180 105.893 133.225 8.224 1.00 4.79 C ATOM 756 O GLY A 180 105.533 132.743 9.295 1.00 5.63 O ATOM 757 HA3 GLY A 180 105.455 135.149 7.421 1.00 0.00 H ATOM 758 HA2 GLY A 180 104.836 133.785 6.461 1.00 0.00 H ATOM 759 H GLY A 180 103.451 133.716 8.936 1.00 0.00 H ATOM 760 N MET A 181 107.075 132.967 7.670 1.00 5.55 N ATOM 761 CA MET A 181 108.047 132.070 8.290 1.00 3.86 C ATOM 762 C MET A 181 108.885 132.789 9.328 1.00 4.24 C ATOM 763 O MET A 181 109.253 133.945 9.134 1.00 4.00 O ATOM 764 CB MET A 181 108.970 131.484 7.222 1.00 5.55 C ATOM 765 CG MET A 181 108.215 130.720 6.150 1.00 7.39 C ATOM 766 SD MET A 181 107.124 129.430 6.836 1.00 14.41 S ATOM 767 CE MET A 181 108.385 128.351 7.523 1.00 19.39 C ATOM 768 HA MET A 181 107.492 131.273 8.785 1.00 0.00 H ATOM 769 HB2 MET A 181 109.518 132.299 6.749 1.00 0.00 H ATOM 770 HB3 MET A 181 109.674 130.806 7.704 1.00 0.00 H ATOM 771 HG2 MET A 181 108.938 130.248 5.485 1.00 0.00 H ATOM 772 HG3 MET A 181 107.607 131.425 5.583 1.00 0.00 H ATOM 773 HE1 MET A 181 109.045 128.011 6.725 1.00 0.00 H ATOM 774 HE2 MET A 181 108.964 128.899 8.266 1.00 0.00 H ATOM 775 HE3 MET A 181 107.908 127.491 7.993 1.00 0.00 H ATOM 776 H MET A 181 107.315 133.419 6.765 1.00 0.00 H ATOM 777 N ILE A 182 109.148 132.108 10.441 1.00 5.02 N ATOM 778 CA ILE A 182 109.949 132.671 11.530 1.00 4.83 C ATOM 779 C ILE A 182 111.004 131.667 12.010 1.00 7.46 C ATOM 780 O ILE A 182 110.773 130.456 11.999 1.00 3.47 O ATOM 781 CB ILE A 182 109.093 133.098 12.759 1.00 3.99 C ATOM 782 CG1 ILE A 182 108.451 131.872 13.444 1.00 5.82 C ATOM 783 CG2 ILE A 182 108.069 134.123 12.314 1.00 4.19 C ATOM 784 CD1 ILE A 182 107.862 132.177 14.829 1.00 6.48 C ATOM 785 HA ILE A 182 110.424 133.560 11.114 1.00 0.00 H ATOM 786 HB ILE A 182 109.731 133.560 13.512 1.00 0.00 H ATOM 787 HG12 ILE A 182 107.651 131.499 12.804 1.00 0.00 H ATOM 788 HG13 ILE A 182 109.214 131.101 13.556 1.00 0.00 H ATOM 789 HD11 ILE A 182 108.652 132.540 15.486 1.00 0.00 H ATOM 790 HD12 ILE A 182 107.088 132.939 14.734 1.00 0.00 H ATOM 791 HD13 ILE A 182 107.429 131.268 15.247 1.00 0.00 H ATOM 792 HG21 ILE A 182 108.582 134.992 11.902 1.00 0.00 H ATOM 793 HG22 ILE A 182 107.426 133.684 11.551 1.00 0.00 H ATOM 794 HG23 ILE A 182 107.466 134.427 13.169 1.00 0.00 H ATOM 795 H ILE A 182 108.772 131.144 10.541 1.00 0.00 H ATOM 796 N PRO A 183 112.203 132.169 12.373 1.00 6.59 N ATOM 797 CA PRO A 183 113.291 131.304 12.854 1.00 5.40 C ATOM 798 C PRO A 183 113.085 130.933 14.325 1.00 2.55 C ATOM 799 O PRO A 183 113.048 131.797 15.209 1.00 7.06 O ATOM 800 CB PRO A 183 114.530 132.159 12.632 1.00 4.85 C ATOM 801 CG PRO A 183 114.043 133.542 12.860 1.00 3.74 C ATOM 802 CD PRO A 183 112.636 133.568 12.241 1.00 5.98 C ATOM 803 HA PRO A 183 113.354 130.346 12.339 1.00 0.00 H ATOM 804 HD3 PRO A 183 111.976 134.238 12.791 1.00 0.00 H ATOM 805 HD2 PRO A 183 112.671 133.873 11.195 1.00 0.00 H ATOM 806 HG3 PRO A 183 114.693 134.265 12.367 1.00 0.00 H ATOM 807 HG2 PRO A 183 113.998 133.763 13.926 1.00 0.00 H ATOM 808 HB2 PRO A 183 115.315 131.900 13.343 1.00 0.00 H ATOM 809 HB3 PRO A 183 114.908 132.041 11.616 1.00 0.00 H ATOM 810 N VAL A 184 113.015 129.638 14.593 1.00 5.02 N ATOM 811 CA VAL A 184 112.789 129.156 15.952 1.00 8.63 C ATOM 812 C VAL A 184 113.754 129.702 17.013 1.00 6.86 C ATOM 813 O VAL A 184 113.323 130.027 18.109 1.00 8.02 O ATOM 814 CB VAL A 184 112.680 127.595 15.976 1.00 8.69 C ATOM 815 CG1 VAL A 184 112.482 127.083 17.407 1.00 12.34 C ATOM 816 CG2 VAL A 184 111.502 127.161 15.111 1.00 5.85 C ATOM 817 HA VAL A 184 111.829 129.575 16.254 1.00 0.00 H ATOM 818 HB VAL A 184 113.606 127.174 15.585 1.00 0.00 H ATOM 819 HG11 VAL A 184 113.331 127.385 18.020 1.00 0.00 H ATOM 820 HG12 VAL A 184 111.566 127.505 17.819 1.00 0.00 H ATOM 821 HG13 VAL A 184 112.409 125.995 17.396 1.00 0.00 H ATOM 822 HG21 VAL A 184 110.584 127.598 15.504 1.00 0.00 H ATOM 823 HG22 VAL A 184 111.659 127.501 14.088 1.00 0.00 H ATOM 824 HG23 VAL A 184 111.423 126.074 15.126 1.00 0.00 H ATOM 825 H VAL A 184 113.123 128.951 13.820 1.00 0.00 H ATOM 826 N PRO A 185 115.072 129.816 16.700 1.00 9.14 N ATOM 827 CA PRO A 185 116.012 130.339 17.701 1.00 6.70 C ATOM 828 C PRO A 185 115.711 131.755 18.182 1.00 10.48 C ATOM 829 O PRO A 185 116.240 132.179 19.215 1.00 9.81 O ATOM 830 CB PRO A 185 117.353 130.323 16.960 1.00 7.13 C ATOM 831 CG PRO A 185 117.232 129.110 16.102 1.00 5.39 C ATOM 832 CD PRO A 185 115.804 129.227 15.559 1.00 6.52 C ATOM 833 HA PRO A 185 115.971 129.738 18.610 1.00 0.00 H ATOM 834 HD3 PRO A 185 115.766 129.881 14.687 1.00 0.00 H ATOM 835 HD2 PRO A 185 115.402 128.249 15.296 1.00 0.00 H ATOM 836 HG3 PRO A 185 117.357 128.199 16.687 1.00 0.00 H ATOM 837 HG2 PRO A 185 117.963 129.125 15.294 1.00 0.00 H ATOM 838 HB2 PRO A 185 117.481 131.222 16.357 1.00 0.00 H ATOM 839 HB3 PRO A 185 118.187 130.232 17.656 1.00 0.00 H ATOM 840 N TYR A 186 114.923 132.514 17.416 1.00 6.13 N ATOM 841 CA TYR A 186 114.618 133.892 17.784 1.00 3.36 C ATOM 842 C TYR A 186 113.411 134.028 18.716 1.00 7.99 C ATOM 843 O TYR A 186 113.040 135.143 19.088 1.00 7.56 O ATOM 844 CB TYR A 186 114.346 134.744 16.544 1.00 4.18 C ATOM 845 CG TYR A 186 115.552 135.203 15.757 1.00 7.23 C ATOM 846 CD1 TYR A 186 116.627 134.342 15.509 1.00 10.62 C ATOM 847 CD2 TYR A 186 115.603 136.510 15.245 1.00 10.39 C ATOM 848 CE1 TYR A 186 117.746 134.782 14.760 1.00 7.15 C ATOM 849 CE2 TYR A 186 116.703 136.955 14.502 1.00 14.17 C ATOM 850 CZ TYR A 186 117.764 136.083 14.265 1.00 13.57 C ATOM 851 OH TYR A 186 118.855 136.506 13.534 1.00 17.76 O ATOM 852 HA TYR A 186 115.503 134.241 18.316 1.00 0.00 H ATOM 853 HB3 TYR A 186 113.804 135.633 16.866 1.00 0.00 H ATOM 854 HB2 TYR A 186 113.717 134.159 15.873 1.00 0.00 H ATOM 855 HD2 TYR A 186 114.771 137.190 15.429 1.00 0.00 H ATOM 856 HE2 TYR A 186 116.729 137.973 14.113 1.00 0.00 H ATOM 857 HE1 TYR A 186 118.583 134.110 14.573 1.00 0.00 H ATOM 858 HD1 TYR A 186 116.603 133.323 15.896 1.00 0.00 H ATOM 859 HH TYR A 186 119.509 135.767 13.462 1.00 0.00 H ATOM 860 H TYR A 186 114.521 132.116 16.543 1.00 0.00 H ATOM 861 N VAL A 187 112.778 132.910 19.057 1.00 9.15 N ATOM 862 CA VAL A 187 111.590 132.964 19.909 1.00 5.61 C ATOM 863 C VAL A 187 111.678 131.946 21.044 1.00 12.30 C ATOM 864 O VAL A 187 112.477 130.992 21.001 1.00 7.58 O ATOM 865 CB VAL A 187 110.302 132.661 19.098 1.00 5.20 C ATOM 866 CG1 VAL A 187 110.232 133.524 17.853 1.00 8.70 C ATOM 867 CG2 VAL A 187 110.252 131.182 18.723 1.00 5.35 C ATOM 868 HA VAL A 187 111.545 133.974 20.316 1.00 0.00 H ATOM 869 HB VAL A 187 109.440 132.896 19.722 1.00 0.00 H ATOM 870 HG11 VAL A 187 110.227 134.575 18.141 1.00 0.00 H ATOM 871 HG12 VAL A 187 111.099 133.323 17.224 1.00 0.00 H ATOM 872 HG13 VAL A 187 109.320 133.292 17.303 1.00 0.00 H ATOM 873 HG21 VAL A 187 111.123 130.932 18.117 1.00 0.00 H ATOM 874 HG22 VAL A 187 110.254 130.578 19.630 1.00 0.00 H ATOM 875 HG23 VAL A 187 109.344 130.983 18.154 1.00 0.00 H ATOM 876 H VAL A 187 113.129 131.992 18.716 1.00 0.00 H ATOM 877 N GLU A 188 110.793 132.125 22.020 1.00 7.66 N ATOM 878 CA GLU A 188 110.724 131.245 23.178 1.00 9.02 C ATOM 879 C GLU A 188 109.254 130.867 23.340 1.00 6.20 C ATOM 880 O GLU A 188 108.361 131.570 22.849 1.00 5.87 O ATOM 881 CB GLU A 188 111.233 131.962 24.442 1.00 8.14 C ATOM 882 CG GLU A 188 110.296 133.079 24.956 1.00 8.02 C ATOM 883 CD GLU A 188 110.791 133.792 26.209 1.00 12.20 C ATOM 884 OE1 GLU A 188 111.666 133.255 26.917 1.00 21.87 O ATOM 885 OE2 GLU A 188 110.287 134.897 26.492 1.00 23.52 O ATOM 886 HA GLU A 188 111.351 130.364 23.037 1.00 0.00 H ATOM 887 HB2 GLU A 188 111.348 131.221 25.233 1.00 0.00 H ATOM 888 HB3 GLU A 188 112.203 132.405 24.217 1.00 0.00 H ATOM 889 HG2 GLU A 188 110.183 133.820 24.165 1.00 0.00 H ATOM 890 HG3 GLU A 188 109.326 132.635 25.178 1.00 0.00 H ATOM 891 H GLU A 188 110.127 132.921 21.954 1.00 0.00 H ATOM 892 N LYS A 189 109.004 129.758 24.028 1.00 8.10 N ATOM 893 CA LYS A 189 107.634 129.326 24.263 1.00 10.64 C ATOM 894 C LYS A 189 106.921 130.341 25.170 1.00 11.08 C ATOM 895 O LYS A 189 107.541 130.985 26.023 1.00 13.39 O ATOM 896 CB LYS A 189 107.620 127.930 24.894 1.00 15.09 C ATOM 897 CG LYS A 189 108.579 126.955 24.212 1.00 34.57 C ATOM 898 CD LYS A 189 108.688 127.202 22.692 1.00 52.69 C ATOM 899 CE LYS A 189 110.045 126.778 22.121 1.00 52.16 C ATOM 900 NZ LYS A 189 110.200 127.224 20.709 1.00 47.57 N ATOM 901 HA LYS A 189 107.104 129.274 23.312 1.00 0.00 H ATOM 902 HB2 LYS A 189 107.904 128.020 25.943 1.00 0.00 H ATOM 903 HB3 LYS A 189 106.609 127.528 24.826 1.00 0.00 H ATOM 904 HG2 LYS A 189 109.568 127.067 24.657 1.00 0.00 H ATOM 905 HG3 LYS A 189 108.221 125.939 24.377 1.00 0.00 H ATOM 906 HD2 LYS A 189 107.905 126.635 22.189 1.00 0.00 H ATOM 907 HD3 LYS A 189 108.545 128.265 22.500 1.00 0.00 H ATOM 908 HE2 LYS A 189 110.124 125.692 22.161 1.00 0.00 H ATOM 909 HE3 LYS A 189 110.838 127.221 22.723 1.00 0.00 H ATOM 910 HZ1 LYS A 189 109.449 126.800 20.128 1.00 0.00 H ATOM 911 HZ2 LYS A 189 110.131 128.261 20.665 1.00 0.00 H ATOM 912 HZ3 LYS A 189 111.129 126.922 20.351 1.00 0.00 H ATOM 913 H LYS A 189 109.794 129.194 24.402 1.00 0.00 H ATOM 914 N TYR A 190 105.637 130.542 24.910 1.00 14.48 N ATOM 915 CA TYR A 190 104.806 131.449 25.711 1.00 15.25 C ATOM 916 C TYR A 190 103.965 130.636 26.720 1.00 12.33 C ATOM 917 CB TYR A 190 103.890 132.255 24.786 1.00 11.26 C ATOM 918 CG TYR A 190 102.950 133.207 25.481 1.00 14.13 C ATOM 919 CD1 TYR A 190 103.389 134.454 25.898 1.00 16.86 C ATOM 920 CD2 TYR A 190 101.614 132.871 25.691 1.00 15.43 C ATOM 921 CE1 TYR A 190 102.520 135.365 26.500 1.00 32.97 C ATOM 922 CE2 TYR A 190 100.736 133.767 26.289 1.00 27.29 C ATOM 923 CZ TYR A 190 101.200 135.016 26.692 1.00 27.82 C ATOM 924 OH TYR A 190 100.345 135.939 27.242 1.00 35.59 O ATOM 925 HA TYR A 190 105.447 132.136 26.263 1.00 0.00 H ATOM 926 HB3 TYR A 190 103.291 131.551 24.208 1.00 0.00 H ATOM 927 HB2 TYR A 190 104.519 132.835 24.111 1.00 0.00 H ATOM 928 HD2 TYR A 190 101.252 131.891 25.382 1.00 0.00 H ATOM 929 HE2 TYR A 190 99.692 133.494 26.441 1.00 0.00 H ATOM 930 HE1 TYR A 190 102.882 136.344 26.816 1.00 0.00 H ATOM 931 HD1 TYR A 190 104.434 134.728 25.753 1.00 0.00 H ATOM 932 HH TYR A 190 100.849 136.761 27.466 1.00 0.00 H ATOM 933 H TYR A 190 105.203 130.039 24.110 1.00 0.00 H TER 934 TYR A 190 HETATM 935 O HOH 1 111.159 139.190 24.572 1.00 13.24 O HETATM 936 O HOH 2 111.251 143.646 12.382 1.00 22.80 O HETATM 937 O HOH 3 98.326 127.543 17.427 1.00 13.32 O HETATM 938 O HOH 4 97.082 127.684 12.772 1.00 9.43 O HETATM 939 O HOH 5 116.233 145.771 14.611 1.00 17.20 O HETATM 940 O HOH 6 108.105 122.423 19.596 1.00 10.41 O HETATM 941 O HOH 7 104.557 127.493 22.866 1.00 13.98 O HETATM 942 O HOH 8 117.467 139.636 23.458 1.00 69.20 O HETATM 943 O HOH 9 114.905 123.462 10.096 1.00 13.98 O HETATM 944 O HOH 10 112.640 146.229 19.168 1.00 12.85 O HETATM 945 O HOH 11 114.844 133.963 5.457 1.00 13.30 O HETATM 946 O HOH 12 110.245 133.607 0.119 1.00 10.98 O HETATM 947 O HOH 13 110.940 144.305 7.646 1.00 22.67 O HETATM 948 O HOH 14 99.975 137.987 5.809 1.00 14.23 O HETATM 949 O HOH 15 112.654 123.208 16.894 1.00 23.13 O HETATM 950 O HOH 16 112.267 136.226 -1.430 1.00 11.31 O HETATM 951 O HOH 17 102.318 139.805 17.109 1.00 9.50 O HETATM 952 O HOH 18 104.883 140.629 13.289 1.00 8.81 O HETATM 953 O HOH 19 110.008 143.211 5.488 1.00 16.60 O HETATM 954 O HOH 20 102.204 132.172 5.087 1.00 19.15 O HETATM 955 O HOH 21 98.014 139.902 6.109 1.00 18.93 O HETATM 956 O HOH 22 96.321 140.393 8.174 1.00 16.22 O HETATM 957 O HOH 23 97.906 125.074 25.390 1.00 20.98 O HETATM 958 O HOH 24 97.359 124.943 17.129 1.00 22.67 O HETATM 959 O HOH 25 105.589 142.700 10.761 1.00 12.83 O HETATM 960 O HOH 26 113.248 138.237 -2.884 1.00 17.20 O HETATM 961 O HOH 27 95.169 133.923 16.370 1.00 28.67 O HETATM 962 O HOH 28 102.701 142.551 10.224 1.00 16.43 O HETATM 963 O HOH 29 96.127 133.189 10.274 1.00 15.38 O HETATM 964 O HOH 30 93.699 133.078 12.662 1.00 10.81 O HETATM 965 O HOH 31 98.315 135.593 16.896 1.00 27.16 O HETATM 966 O HOH 32 106.194 144.045 8.459 1.00 17.66 O HETATM 967 O HOH 33 113.778 120.384 9.661 1.00 21.51 O HETATM 968 O HOH 34 114.001 147.003 9.685 1.00 46.00 O HETATM 969 O HOH 35 113.349 140.034 -0.756 1.00 22.69 O HETATM 970 O HOH 36 117.406 141.087 13.389 1.00 23.53 O HETATM 971 O HOH 37 100.040 128.790 5.410 1.00 28.52 O HETATM 972 O HOH 38 105.719 142.358 6.548 1.00 24.88 O HETATM 973 O HOH 39 116.548 139.931 10.020 1.00 14.50 O HETATM 974 O HOH 40 117.226 133.292 5.217 1.00 18.60 O HETATM 975 O HOH 41 103.911 139.602 6.304 1.00 51.12 O HETATM 976 O HOH 42 111.367 128.142 25.041 1.00 17.68 O HETATM 977 O HOH 43 106.163 126.527 20.935 1.00 22.68 O HETATM 978 O HOH 44 112.844 125.701 3.250 1.00 27.95 O HETATM 979 O HOH 45 111.703 144.217 0.151 1.00 18.15 O HETATM 980 O HOH 46 93.102 135.507 13.771 1.00 24.98 O HETATM 981 O HOH 47 105.824 140.143 25.501 1.00 31.76 O HETATM 982 O HOH 48 96.492 128.889 24.048 1.00 45.98 O HETATM 983 O HOH 49 110.300 147.225 22.773 1.00 26.66 O HETATM 984 O HOH 50 108.610 145.184 8.583 1.00 25.89 O HETATM 985 O HOH 51 107.552 142.126 4.676 1.00 19.54 O HETATM 986 O HOH 52 105.005 134.053 29.932 1.00 27.30 O HETATM 987 O HOH 53 108.146 124.669 21.076 1.00 29.31 O HETATM 988 O HOH 54 94.043 140.184 13.068 1.00 41.47 O HETATM 989 O HOH 55 111.402 145.086 21.859 1.00 31.59 O HETATM 990 O HOH 56 112.670 145.982 5.807 1.00 24.54 O HETATM 991 O HOH 57 117.995 134.075 1.349 1.00 22.91 O HETATM 992 O HOH 58 114.075 145.536 24.317 1.00 35.73 O HETATM 993 O HOH 59 99.389 137.483 18.838 1.00 47.42 O HETATM 994 O HOH 60 108.821 145.696 11.162 1.00 30.58 O HETATM 995 O HOH 61 92.662 129.115 22.539 1.00 28.87 O HETATM 996 O HOH 62 101.249 128.521 23.991 1.00 15.18 O HETATM 997 O HOH 63 114.312 146.498 21.550 1.00 27.38 O HETATM 998 O HOH 64 102.154 123.648 15.099 1.00 20.90 O HETATM 999 O HOH 65 113.945 147.505 15.391 1.00 20.20 O HETATM 1000 O HOH 66 104.965 133.169 3.792 1.00 24.31 O HETATM 1001 O HOH 67 111.485 148.130 11.144 1.00 32.74 O HETATM 1002 O HOH 68 103.748 126.291 6.149 1.00 33.36 O HETATM 1003 O HOH 69 102.593 121.969 5.597 1.00 42.96 O HETATM 1004 O HOH 70 96.767 135.376 8.000 1.00 58.08 O HETATM 1005 O HOH 71 107.389 143.952 12.631 1.00 15.70 O HETATM 1006 O HOH 72 110.899 122.244 18.912 1.00 16.88 O HETATM 1007 O HOH 73 112.023 118.654 8.228 1.00 65.89 O HETATM 1008 O HOH 74 116.615 135.722 6.170 1.00 73.36 O HETATM 1009 O HOH 75 117.389 146.534 9.747 1.00 30.06 O HETATM 1010 O HOH 76 95.547 137.897 15.108 1.00 21.44 O HETATM 1011 O HOH 77 107.384 117.642 8.707 1.00 33.43 O HETATM 1012 O HOH 78 117.608 131.325 21.490 1.00 52.36 O HETATM 1013 O HOH 79 105.568 136.877 4.672 1.00 49.55 O HETATM 1014 O HOH 80 114.019 128.626 20.556 1.00 24.45 O HETATM 1015 O HOH 81 97.735 144.388 7.966 1.00 30.74 O HETATM 1016 O HOH 82 102.718 143.690 4.683 1.00 32.54 O HETATM 1017 O HOH 83 100.599 144.652 5.928 1.00 40.80 O HETATM 1018 O HOH 84 115.306 147.607 18.566 1.00 47.83 O HETATM 1019 O HOH 85 102.596 125.757 23.696 1.00 38.04 O HETATM 1020 O HOH 86 98.473 131.373 4.213 1.00 27.50 O HETATM 1021 O HOH 87 107.639 139.462 4.486 1.00 36.47 O HETATM 1022 O HOH 88 116.243 127.551 19.525 1.00 25.61 O HETATM 1023 O HOH 89 114.366 147.571 7.007 1.00 47.77 O HETATM 1024 O HOH 90 114.879 146.202 12.287 1.00 31.73 O HETATM 1025 O HOH 91 94.792 124.352 17.787 1.00 34.19 O HETATM 1026 O HOH 92 101.090 134.068 3.691 1.00 30.03 O HETATM 1027 O HOH 93 99.044 133.593 1.687 1.00 44.04 O HETATM 1028 O HOH 94 111.408 145.405 27.139 1.00 33.20 O HETATM 1029 O HOH 95 94.201 132.281 18.564 1.00 45.55 O HETATM 1030 O HOH 96 109.431 130.755 27.994 1.00 32.64 O HETATM 1031 O HOH 97 117.219 121.173 13.323 1.00 38.00 O HETATM 1032 O HOH 98 115.593 131.166 0.036 1.00 36.31 O HETATM 1033 O HOH 99 94.956 140.073 17.736 1.00 36.34 O HETATM 1034 O HOH 100 118.945 133.684 23.285 1.00 31.47 O HETATM 1035 O HOH 101 103.895 120.973 7.974 1.00 22.20 O HETATM 1036 O HOH 102 119.807 131.343 24.412 1.00 44.00 O HETATM 1037 O HOH 103 104.716 139.893 15.811 1.00 71.12 O HETATM 1038 O HOH 104 117.461 141.625 15.976 1.00 27.83 O HETATM 1039 O HOH 105 118.203 137.942 10.339 1.00 57.22 O HETATM 1040 O HOH 106 118.335 139.711 26.005 1.00 41.89 O HETATM 1041 O HOH 107 120.866 129.540 16.169 1.00 22.62 O HETATM 1042 O HOH 108 118.850 129.411 4.491 1.00 10.63 O HETATM 1043 O HOH 109 117.589 124.490 10.042 1.00 16.87 O HETATM 1044 O HOH 110 121.126 132.940 6.821 1.00 14.29 O HETATM 1045 O HOH 111 119.156 130.933 6.919 1.00 11.43 O HETATM 1046 O HOH 112 121.430 132.474 4.132 1.00 19.54 O HETATM 1047 O HOH 113 119.443 124.715 12.472 1.00 36.09 O HETATM 1048 O HOH 114 121.571 135.877 12.979 1.00 30.82 O HETATM 1049 O HOH 115 119.650 126.248 2.806 1.00 22.82 O HETATM 1050 O HOH 116 122.686 134.307 10.970 1.00 31.95 O HETATM 1051 O HOH 117 124.253 130.638 22.270 1.00 36.37 O HETATM 1052 O HOH 118 124.638 135.078 15.504 1.00 26.45 O HETATM 1053 O HOH 119 123.241 131.361 18.158 1.00 37.38 O HETATM 1054 N PRO A 120 123.401 141.389 19.545 1.00 0.25 N HETATM 1055 CA PRO A 120 122.866 140.805 18.316 1.00 0.07 C HETATM 1056 C PRO A 120 122.183 139.468 18.549 1.00 0.23 C HETATM 1057 O PRO A 120 122.426 138.800 19.552 1.00 -0.39 O HETATM 1058 N PRO A 120 121.266 139.094 17.645 1.00 -0.25 N HETATM 1059 CA PRO A 120 120.487 137.855 17.669 1.00 0.13 C HETATM 1060 C PRO A 120 121.315 136.597 17.521 1.00 0.21 C HETATM 1061 O PRO A 120 122.505 136.647 17.221 1.00 -0.39 O HETATM 1062 N PRO A 120 120.691 135.438 17.723 1.00 -0.25 N HETATM 1063 CA PRO A 120 121.398 134.169 17.588 1.00 0.13 C HETATM 1064 C PRO A 120 121.550 133.867 16.104 1.00 0.20 C HETATM 1065 O PRO A 120 121.033 134.599 15.251 1.00 -0.39 O HETATM 1066 N PRO A 120 122.267 132.794 15.798 1.00 -0.26 N HETATM 1067 CA PRO A 120 122.484 132.398 14.408 1.00 0.13 C HETATM 1068 C PRO A 120 121.143 132.066 13.741 1.00 0.20 C HETATM 1069 O PRO A 120 120.267 131.458 14.366 1.00 -0.39 O HETATM 1070 N PRO A 120 120.989 132.483 12.488 1.00 -0.26 N HETATM 1071 CA PRO A 120 119.773 132.189 11.712 1.00 0.13 C HETATM 1072 C PRO A 120 119.945 130.763 11.193 1.00 0.21 C HETATM 1073 O PRO A 120 120.935 130.450 10.538 1.00 -0.39 O HETATM 1074 N PRO A 120 118.993 129.872 11.493 1.00 -0.25 N HETATM 1075 CA PRO A 120 119.147 128.493 11.006 1.00 0.13 C HETATM 1076 C PRO A 120 118.998 128.380 9.487 1.00 0.21 C HETATM 1077 O PRO A 120 118.363 129.225 8.857 1.00 -0.39 O HETATM 1078 N PRO A 120 119.641 127.372 8.871 1.00 -0.25 N HETATM 1079 CA PRO A 120 119.489 127.253 7.415 1.00 0.13 C HETATM 1080 C PRO A 120 118.062 126.805 7.120 1.00 0.20 C HETATM 1081 O PRO A 120 117.428 126.190 7.974 1.00 -0.39 O HETATM 1082 N PRO A 120 117.542 127.152 5.950 1.00 -0.26 N HETATM 1083 CA PRO A 120 116.214 126.679 5.572 1.00 0.13 C HETATM 1084 C PRO A 120 116.421 125.375 4.796 1.00 0.20 C HETATM 1085 O PRO A 120 117.424 125.204 4.089 1.00 -0.39 O HETATM 1086 N PRO A 120 115.508 124.434 4.977 1.00 -0.28 N HETATM 1087 CA PRO A 120 115.610 123.165 4.279 1.00 0.04 C HETATM 1088 C PRO A 120 114.735 123.205 3.028 1.00 -0.04 C HETATM 1089 H69 PRO A 120 114.810 122.245 2.497 1.00 0.03 H HETATM 1090 H70 PRO A 120 115.076 124.016 2.368 1.00 0.03 H HETATM 1091 H71 PRO A 120 113.689 123.383 3.318 1.00 0.03 H HETATM 1092 CB PRO A 120 115.179 122.037 5.205 1.00 -0.03 C HETATM 1093 CG PRO A 120 115.904 122.060 6.545 1.00 -0.05 C HETATM 1094 CD PRO A 120 115.626 120.792 7.326 1.00 -0.01 C HETATM 1095 CE PRO A 120 116.519 120.677 8.553 1.00 -0.04 C HETATM 1096 NZ PRO A 120 116.335 119.359 9.239 1.00 0.22 N HETATM 1097 H80 PRO A 120 116.938 119.313 10.045 1.00 0.20 H HETATM 1098 H81 PRO A 120 116.568 118.613 8.602 1.00 0.20 H HETATM 1099 H82 PRO A 120 115.375 119.263 9.531 1.00 0.20 H HETATM 1100 H78 PRO A 120 116.268 121.485 9.256 1.00 0.08 H HETATM 1101 H79 PRO A 120 117.570 120.775 8.242 1.00 0.08 H HETATM 1102 H76 PRO A 120 115.805 119.925 6.673 1.00 0.03 H HETATM 1103 H77 PRO A 120 114.575 120.796 7.650 1.00 0.03 H HETATM 1104 H74 PRO A 120 115.558 122.926 7.128 1.00 0.03 H HETATM 1105 H75 PRO A 120 116.986 122.145 6.369 1.00 0.03 H HETATM 1106 H72 PRO A 120 115.387 121.077 4.710 1.00 0.03 H HETATM 1107 H73 PRO A 120 114.098 122.128 5.389 1.00 0.03 H HETATM 1108 H68 PRO A 120 116.655 123.000 3.979 1.00 0.06 H HETATM 1109 H67 PRO A 120 114.742 124.598 5.599 1.00 0.19 H HETATM 1110 CB PRO A 120 115.485 127.704 4.709 1.00 -0.01 C HETATM 1111 CG PRO A 120 114.960 128.890 5.499 1.00 -0.04 C HETATM 1112 CD PRO A 120 114.188 129.827 4.614 1.00 -0.01 C HETATM 1113 CE PRO A 120 113.487 130.883 5.420 1.00 -0.04 C HETATM 1114 NZ PRO A 120 112.891 131.913 4.534 1.00 0.22 N HETATM 1115 H64 PRO A 120 112.427 132.610 5.095 1.00 0.20 H HETATM 1116 H65 PRO A 120 112.223 131.479 3.916 1.00 0.20 H HETATM 1117 H66 PRO A 120 113.618 132.349 3.989 1.00 0.20 H HETATM 1118 H62 PRO A 120 114.212 131.363 6.094 1.00 0.08 H HETATM 1119 H63 PRO A 120 112.689 130.413 6.014 1.00 0.08 H HETATM 1120 H60 PRO A 120 113.440 129.252 4.049 1.00 0.03 H HETATM 1121 H61 PRO A 120 114.883 130.313 3.913 1.00 0.03 H HETATM 1122 H58 PRO A 120 115.809 129.431 5.942 1.00 0.03 H HETATM 1123 H59 PRO A 120 114.300 128.525 6.299 1.00 0.03 H HETATM 1124 H56 PRO A 120 114.635 127.207 4.220 1.00 0.03 H HETATM 1125 H57 PRO A 120 116.183 128.076 3.944 1.00 0.03 H HETATM 1126 H55 PRO A 120 115.618 126.486 6.476 1.00 0.08 H HETATM 1127 H54 PRO A 120 118.060 127.738 5.327 1.00 0.19 H HETATM 1128 CB PRO A 120 120.473 126.124 7.058 1.00 -0.01 C HETATM 1129 CG PRO A 120 120.530 125.297 8.290 1.00 -0.03 C HETATM 1130 CD PRO A 120 120.571 126.349 9.384 1.00 0.04 C HETATM 1131 H52 PRO A 120 120.223 125.939 10.344 1.00 0.05 H HETATM 1132 H53 PRO A 120 121.585 126.758 9.506 1.00 0.05 H HETATM 1133 H50 PRO A 120 121.433 124.669 8.307 1.00 0.03 H HETATM 1134 H51 PRO A 120 119.638 124.659 8.384 1.00 0.03 H HETATM 1135 H48 PRO A 120 121.465 126.532 6.814 1.00 0.03 H HETATM 1136 H49 PRO A 120 120.100 125.534 6.208 1.00 0.03 H HETATM 1137 H47 PRO A 120 119.726 128.190 6.890 1.00 0.08 H HETATM 1138 CB PRO A 120 118.023 127.746 11.729 1.00 -0.01 C HETATM 1139 CG PRO A 120 116.938 128.835 11.858 1.00 -0.03 C HETATM 1140 CD PRO A 120 117.720 130.066 12.212 1.00 0.04 C HETATM 1141 H45 PRO A 120 117.205 130.974 11.865 1.00 0.05 H HETATM 1142 H46 PRO A 120 117.885 130.130 13.298 1.00 0.05 H HETATM 1143 H43 PRO A 120 116.220 128.583 12.652 1.00 0.03 H HETATM 1144 H44 PRO A 120 116.401 128.970 10.908 1.00 0.03 H HETATM 1145 H41 PRO A 120 118.351 127.391 12.717 1.00 0.03 H HETATM 1146 H42 PRO A 120 117.664 126.894 11.134 1.00 0.03 H HETATM 1147 H40 PRO A 120 120.129 128.092 11.296 1.00 0.08 H HETATM 1148 CB PRO A 120 119.670 133.139 10.527 1.00 -0.01 C HETATM 1149 CG PRO A 120 118.308 133.495 9.970 1.00 -0.04 C HETATM 1150 CD1 PRO A 120 117.377 134.017 11.096 1.00 -0.06 C HETATM 1151 H34 PRO A 120 116.394 134.270 10.671 1.00 0.02 H HETATM 1152 H35 PRO A 120 117.821 134.914 11.552 1.00 0.02 H HETATM 1153 H36 PRO A 120 117.256 133.237 11.863 1.00 0.02 H HETATM 1154 CD2 PRO A 120 118.528 134.571 8.912 1.00 -0.06 C HETATM 1155 H37 PRO A 120 119.190 134.181 8.124 1.00 0.02 H HETATM 1156 H38 PRO A 120 118.992 135.453 9.377 1.00 0.02 H HETATM 1157 H39 PRO A 120 117.561 134.855 8.471 1.00 0.02 H HETATM 1158 H33 PRO A 120 117.851 132.607 9.509 1.00 0.03 H HETATM 1159 H31 PRO A 120 120.243 132.687 9.704 1.00 0.03 H HETATM 1160 H32 PRO A 120 120.147 134.082 10.831 1.00 0.03 H HETATM 1161 H30 PRO A 120 118.877 132.273 12.344 1.00 0.08 H HETATM 1162 H29 PRO A 120 121.721 133.012 12.060 1.00 0.19 H HETATM 1163 CB PRO A 120 123.418 131.175 14.355 1.00 -0.02 C HETATM 1164 H26 PRO A 120 123.578 130.881 13.307 1.00 0.03 H HETATM 1165 H27 PRO A 120 122.960 130.339 14.904 1.00 0.03 H HETATM 1166 H28 PRO A 120 124.384 131.431 14.816 1.00 0.03 H HETATM 1167 H25 PRO A 120 122.955 133.232 13.867 1.00 0.08 H HETATM 1168 H24 PRO A 120 122.667 132.245 16.532 1.00 0.19 H HETATM 1169 CB PRO A 120 120.438 133.188 18.241 1.00 -0.01 C HETATM 1170 CG PRO A 120 119.128 133.740 17.836 1.00 -0.03 C HETATM 1171 CD PRO A 120 119.293 135.205 18.118 1.00 0.04 C HETATM 1172 H22 PRO A 120 118.601 135.809 17.513 1.00 0.05 H HETATM 1173 H23 PRO A 120 119.137 135.427 19.184 1.00 0.05 H HETATM 1174 H20 PRO A 120 118.312 133.309 18.435 1.00 0.03 H HETATM 1175 H21 PRO A 120 118.933 133.560 16.768 1.00 0.03 H HETATM 1176 H18 PRO A 120 120.551 133.184 19.335 1.00 0.03 H HETATM 1177 H19 PRO A 120 120.581 132.168 17.854 1.00 0.03 H HETATM 1178 H17 PRO A 120 122.378 134.179 18.087 1.00 0.08 H HETATM 1179 CB PRO A 120 119.565 138.021 16.456 1.00 -0.01 C HETATM 1180 CG PRO A 120 119.373 139.483 16.369 1.00 -0.03 C HETATM 1181 CD PRO A 120 120.778 139.981 16.575 1.00 0.04 C HETATM 1182 H15 PRO A 120 121.379 139.871 15.660 1.00 0.05 H HETATM 1183 H16 PRO A 120 120.786 141.034 16.894 1.00 0.05 H HETATM 1184 H13 PRO A 120 118.698 139.847 17.157 1.00 0.03 H HETATM 1185 H14 PRO A 120 118.982 139.779 15.385 1.00 0.03 H HETATM 1186 H11 PRO A 120 118.606 137.507 16.617 1.00 0.03 H HETATM 1187 H12 PRO A 120 120.041 137.632 15.544 1.00 0.03 H HETATM 1188 H10 PRO A 120 119.907 137.789 18.601 1.00 0.08 H HETATM 1189 CB PRO A 120 124.113 140.671 17.447 1.00 0.01 C HETATM 1190 CG PRO A 120 124.831 141.961 17.761 1.00 -0.01 C HETATM 1191 CD PRO A 120 124.671 142.100 19.280 1.00 -0.03 C HETATM 1192 H8 PRO A 120 125.509 141.625 19.811 1.00 0.08 H HETATM 1193 H9 PRO A 120 124.602 143.157 19.576 1.00 0.08 H HETATM 1194 H6 PRO A 120 124.364 142.808 17.238 1.00 0.03 H HETATM 1195 H7 PRO A 120 125.893 141.898 17.482 1.00 0.03 H HETATM 1196 H4 PRO A 120 123.855 140.603 16.380 1.00 0.03 H HETATM 1197 H5 PRO A 120 124.713 139.795 17.736 1.00 0.03 H HETATM 1198 H3 PRO A 120 122.143 141.490 17.849 1.00 0.11 H HETATM 1199 H1 PRO A 120 123.567 140.654 20.215 1.00 0.20 H HETATM 1200 H2 PRO A 120 122.730 142.041 19.921 1.00 0.20 H CONECT 1 2 10 11 12 CONECT 10 1 CONECT 11 1 CONECT 12 1 CONECT 1054 1055 1191 1199 1200 CONECT 1055 1054 1056 1189 1198 CONECT 1056 1055 1057 1058 CONECT 1057 1056 CONECT 1058 1056 1059 1181 CONECT 1059 1058 1060 1179 1188 CONECT 1060 1059 1061 1062 CONECT 1061 1060 CONECT 1062 1060 1063 1171 CONECT 1063 1062 1064 1169 1178 CONECT 1064 1063 1065 1066 CONECT 1065 1064 CONECT 1066 1064 1067 1168 CONECT 1067 1066 1068 1163 1167 CONECT 1068 1067 1069 1070 CONECT 1069 1068 CONECT 1070 1068 1071 1162 CONECT 1071 1070 1072 1148 1161 CONECT 1072 1071 1073 1074 CONECT 1073 1072 CONECT 1074 1072 1075 1140 CONECT 1075 1074 1076 1138 1147 CONECT 1076 1075 1077 1078 CONECT 1077 1076 CONECT 1078 1076 1079 1130 CONECT 1079 1078 1080 1128 1137 CONECT 1080 1079 1081 1082 CONECT 1081 1080 CONECT 1082 1080 1083 1127 CONECT 1083 1082 1084 1110 1126 CONECT 1084 1083 1085 1086 CONECT 1085 1084 CONECT 1086 1084 1087 1109 CONECT 1087 1086 1088 1092 1108 CONECT 1088 1087 1089 1090 1091 CONECT 1089 1088 CONECT 1090 1088 CONECT 1091 1088 CONECT 1092 1087 1093 1106 1107 CONECT 1093 1092 1094 1104 1105 CONECT 1094 1093 1095 1102 1103 CONECT 1095 1094 1096 1100 1101 CONECT 1096 1095 1097 1098 1099 CONECT 1097 1096 CONECT 1098 1096 CONECT 1099 1096 CONECT 1100 1095 CONECT 1101 1095 CONECT 1102 1094 CONECT 1103 1094 CONECT 1104 1093 CONECT 1105 1093 CONECT 1106 1092 CONECT 1107 1092 CONECT 1108 1087 CONECT 1109 1086 CONECT 1110 1083 1111 1124 1125 CONECT 1111 1110 1112 1122 1123 CONECT 1112 1111 1113 1120 1121 CONECT 1113 1112 1114 1118 1119 CONECT 1114 1113 1115 1116 1117 CONECT 1115 1114 CONECT 1116 1114 CONECT 1117 1114 CONECT 1118 1113 CONECT 1119 1113 CONECT 1120 1112 CONECT 1121 1112 CONECT 1122 1111 CONECT 1123 1111 CONECT 1124 1110 CONECT 1125 1110 CONECT 1126 1083 CONECT 1127 1082 CONECT 1128 1079 1129 1135 1136 CONECT 1129 1128 1130 1133 1134 CONECT 1130 1078 1129 1131 1132 CONECT 1131 1130 CONECT 1132 1130 CONECT 1133 1129 CONECT 1134 1129 CONECT 1135 1128 CONECT 1136 1128 CONECT 1137 1079 CONECT 1138 1075 1139 1145 1146 CONECT 1139 1138 1140 1143 1144 CONECT 1140 1074 1139 1141 1142 CONECT 1141 1140 CONECT 1142 1140 CONECT 1143 1139 CONECT 1144 1139 CONECT 1145 1138 CONECT 1146 1138 CONECT 1147 1075 CONECT 1148 1071 1149 1159 1160 CONECT 1149 1148 1150 1154 1158 CONECT 1150 1149 1151 1152 1153 CONECT 1151 1150 CONECT 1152 1150 CONECT 1153 1150 CONECT 1154 1149 1155 1156 1157 CONECT 1155 1154 CONECT 1156 1154 CONECT 1157 1154 CONECT 1158 1149 CONECT 1159 1148 CONECT 1160 1148 CONECT 1161 1071 CONECT 1162 1070 CONECT 1163 1067 1164 1165 1166 CONECT 1164 1163 CONECT 1165 1163 CONECT 1166 1163 CONECT 1167 1067 CONECT 1168 1066 CONECT 1169 1063 1170 1176 1177 CONECT 1170 1169 1171 1174 1175 CONECT 1171 1062 1170 1172 1173 CONECT 1172 1171 CONECT 1173 1171 CONECT 1174 1170 CONECT 1175 1170 CONECT 1176 1169 CONECT 1177 1169 CONECT 1178 1063 CONECT 1179 1059 1180 1186 1187 CONECT 1180 1179 1181 1184 1185 CONECT 1181 1058 1180 1182 1183 CONECT 1182 1181 CONECT 1183 1181 CONECT 1184 1180 CONECT 1185 1180 CONECT 1186 1179 CONECT 1187 1179 CONECT 1188 1059 CONECT 1189 1055 1190 1196 1197 CONECT 1190 1189 1191 1194 1195 CONECT 1191 1054 1190 1192 1193 CONECT 1192 1191 CONECT 1193 1191 CONECT 1194 1190 CONECT 1195 1190 CONECT 1196 1189 CONECT 1197 1189 CONECT 1198 1055 CONECT 1199 1054 CONECT 1200 1054 MASTER 0 0 0 0 0 0 0 0 1199 1 151 5 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 1cka
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1ckb
RCSB PDB
PDBbind
57aa, >1CKB_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1aqc
RCSB PDB
PDBbind
10-mer
1awi
RCSB PDB
PDBbind
10-mer
1aze
RCSB PDB
PDBbind
10-mer
1bjr
RCSB PDB
PDBbind
10-mer
1ckb
RCSB PDB
PDBbind
10-mer
1eb1
RCSB PDB
PDBbind
10-mer
1gbq
RCSB PDB
PDBbind
10-mer
1gvu
RCSB PDB
PDBbind
10-mer
1him
RCSB PDB
PDBbind
10-mer
1jd5
RCSB PDB
PDBbind
10-mer
1jd6
RCSB PDB
PDBbind
10-mer
1jmq
RCSB PDB
PDBbind
10-mer
1pyw
RCSB PDB
PDBbind
10-mer
1vj6
RCSB PDB
PDBbind
10-mer
1vr1
RCSB PDB
PDBbind
10-mer
1y2a
RCSB PDB
PDBbind
10-mer
1ywi
RCSB PDB
PDBbind
10-mer
1yy6
RCSB PDB
PDBbind
10-mer
1zkk
RCSB PDB
PDBbind
10-mer
2a0t
RCSB PDB
PDBbind
10-mer
2aoh
RCSB PDB
PDBbind
10-mer
2aoj
RCSB PDB
PDBbind
10-mer
2axi
RCSB PDB
PDBbind
10-mer
2azm
RCSB PDB
PDBbind
10-mer
2b7f
RCSB PDB
PDBbind
10-mer
2c2l
RCSB PDB
PDBbind
10-mer
2gfa
RCSB PDB
PDBbind
10-mer
2h13
RCSB PDB
PDBbind
10-mer
2hrp
RCSB PDB
PDBbind
10-mer
2ig0
RCSB PDB
PDBbind
10-mer
2jmj
RCSB PDB
PDBbind
10-mer
2jqi
RCSB PDB
PDBbind
10-mer
2jql
RCSB PDB
PDBbind
10-mer
2k2r
RCSB PDB
PDBbind
10-mer
2ke1
RCSB PDB
PDBbind
10-mer
2mnz
RCSB PDB
PDBbind
10-mer
2nxd
RCSB PDB
PDBbind
10-mer
2nxl
RCSB PDB
PDBbind
10-mer
2nxm
RCSB PDB
PDBbind
10-mer
2o9v
RCSB PDB
PDBbind
10-mer
2peh
RCSB PDB
PDBbind
10-mer
2pr9
RCSB PDB
PDBbind
10-mer
2puy
RCSB PDB
PDBbind
10-mer
2qqs
RCSB PDB
PDBbind
10-mer
2r3y
RCSB PDB
PDBbind
10-mer
2r7g
RCSB PDB
PDBbind
10-mer
2rr4
RCSB PDB
PDBbind
10-mer
2v7d
RCSB PDB
PDBbind
10-mer
2vnf
RCSB PDB
PDBbind
10-mer
2w6t
RCSB PDB
PDBbind
10-mer
2w77
RCSB PDB
PDBbind
10-mer
2wa8
RCSB PDB
PDBbind
10-mer
2wp1
RCSB PDB
PDBbind
10-mer
2z5o
RCSB PDB
PDBbind
10-mer
3al3
RCSB PDB
PDBbind
10-mer
3bh8
RCSB PDB
PDBbind
10-mer
3bh9
RCSB PDB
PDBbind
10-mer
3bhb
RCSB PDB
PDBbind
10-mer
3c94
RCSB PDB
PDBbind
10-mer
3d1e
RCSB PDB
PDBbind
10-mer
3diw
RCSB PDB
PDBbind
10-mer
3dnj
RCSB PDB
PDBbind
10-mer
3dpc
RCSB PDB
PDBbind
10-mer
3dvp
RCSB PDB
PDBbind
10-mer
3ebb
RCSB PDB
PDBbind
10-mer
3er5
RCSB PDB
PDBbind
10-mer
3f9w
RCSB PDB
PDBbind
10-mer
3f9y
RCSB PDB
PDBbind
10-mer
3fe7
RCSB PDB
PDBbind
10-mer
3fea
RCSB PDB
PDBbind
10-mer
3gbq
RCSB PDB
PDBbind
10-mer
3gds
RCSB PDB
PDBbind
10-mer
3hg1
RCSB PDB
PDBbind
10-mer
3iqj
RCSB PDB
PDBbind
10-mer
3ivv
RCSB PDB
PDBbind
10-mer
3nkx
RCSB PDB
PDBbind
10-mer
3oq5
RCSB PDB
PDBbind
10-mer
3puj
RCSB PDB
PDBbind
10-mer
3puk
RCSB PDB
PDBbind
10-mer
3pxe
RCSB PDB
PDBbind
10-mer
3q8d
RCSB PDB
PDBbind
10-mer
3qzt
RCSB PDB
PDBbind
10-mer
3rwi
RCSB PDB
PDBbind
10-mer
3shv
RCSB PDB
PDBbind
10-mer
3szm
RCSB PDB
PDBbind
10-mer
3tkz
RCSB PDB
PDBbind
10-mer
3tl0
RCSB PDB
PDBbind
10-mer
3uii
RCSB PDB
PDBbind
10-mer
3uik
RCSB PDB
PDBbind
10-mer
3uvm
RCSB PDB
PDBbind
10-mer
3zmp
RCSB PDB
PDBbind
10-mer
3zmq
RCSB PDB
PDBbind
10-mer
4bg6
RCSB PDB
PDBbind
10-mer
4e34
RCSB PDB
PDBbind
10-mer
4e35
RCSB PDB
PDBbind
10-mer
4e3b
RCSB PDB
PDBbind
10-mer
4e81
RCSB PDB
PDBbind
10-mer
4e9d
RCSB PDB
PDBbind
10-mer
4er4
RCSB PDB
PDBbind
10-mer
4h39
RCSB PDB
PDBbind
10-mer
4h3b
RCSB PDB
PDBbind
10-mer
4hcz
RCSB PDB
PDBbind
10-mer
4i2w
RCSB PDB
PDBbind
10-mer
4i2z
RCSB PDB
PDBbind
10-mer
4jfd
RCSB PDB
PDBbind
10-mer
4jfe
RCSB PDB
PDBbind
10-mer
4jff
RCSB PDB
PDBbind
10-mer
4jjq
RCSB PDB
PDBbind
10-mer
4joe
RCSB PDB
PDBbind
10-mer
4jof
RCSB PDB
PDBbind
10-mer
4jog
RCSB PDB
PDBbind
10-mer
4joh
RCSB PDB
PDBbind
10-mer
4joj
RCSB PDB
PDBbind
10-mer
4jok
RCSB PDB
PDBbind
10-mer
4k6y
RCSB PDB
PDBbind
10-mer
4k72
RCSB PDB
PDBbind
10-mer
4k75
RCSB PDB
PDBbind
10-mer
4k76
RCSB PDB
PDBbind
10-mer
4k78
RCSB PDB
PDBbind
10-mer
4lnp
RCSB PDB
PDBbind
10-mer
4mdr
RCSB PDB
PDBbind
10-mer
4n84
RCSB PDB
PDBbind
10-mer
4nmo
RCSB PDB
PDBbind
10-mer
4nmp
RCSB PDB
PDBbind
10-mer
4nmq
RCSB PDB
PDBbind
10-mer
4nmr
RCSB PDB
PDBbind
10-mer
4nms
RCSB PDB
PDBbind
10-mer
4nmt
RCSB PDB
PDBbind
10-mer
4nmv
RCSB PDB
PDBbind
10-mer
4o2c
RCSB PDB
PDBbind
10-mer
4oz1
RCSB PDB
PDBbind
10-mer
4p0a
RCSB PDB
PDBbind
10-mer
4p0b
RCSB PDB
PDBbind
10-mer
4qok
RCSB PDB
PDBbind
10-mer
4rqz
RCSB PDB
PDBbind
10-mer
4u90
RCSB PDB
PDBbind
10-mer
4v11
RCSB PDB
PDBbind
10-mer
4wj5
RCSB PDB
PDBbind
10-mer
4x1n
RCSB PDB
PDBbind
10-mer
4x1p
RCSB PDB
PDBbind
10-mer
4x1q
RCSB PDB
PDBbind
10-mer
4x1r
RCSB PDB
PDBbind
10-mer
4x1s
RCSB PDB
PDBbind
10-mer
4x34
RCSB PDB
PDBbind
10-mer
4x3s
RCSB PDB
PDBbind
10-mer
4x8n
RCSB PDB
PDBbind
10-mer
4xhv
RCSB PDB
PDBbind
10-mer
4z0u
RCSB PDB
PDBbind
10-mer
4z7i
RCSB PDB
PDBbind
10-mer
4zhl
RCSB PDB
PDBbind
10-mer
4zhm
RCSB PDB
PDBbind
10-mer
5ab0
RCSB PDB
PDBbind
10-mer
5aei
RCSB PDB
PDBbind
10-mer
5azg
RCSB PDB
PDBbind
10-mer
5c0m
RCSB PDB
PDBbind
10-mer
5c11
RCSB PDB
PDBbind
10-mer
5c13
RCSB PDB
PDBbind
10-mer
5d6y
RCSB PDB
PDBbind
10-mer
5gp7
RCSB PDB
PDBbind
10-mer
5gs4
RCSB PDB
PDBbind
10-mer
5gtr
RCSB PDB
PDBbind
10-mer
5iaw
RCSB PDB
PDBbind
10-mer
5j31
RCSB PDB
PDBbind
10-mer
5jzi
RCSB PDB
PDBbind
10-mer
5myo
RCSB PDB
PDBbind
10-mer
5n1y
RCSB PDB
PDBbind
10-mer
5nx2
RCSB PDB
PDBbind
10-mer
5t6z
RCSB PDB
PDBbind
10-mer
5t70
RCSB PDB
PDBbind
10-mer
5t8r
RCSB PDB
PDBbind
10-mer
5vnb
RCSB PDB
PDBbind
10-mer
5w7i
RCSB PDB
PDBbind
10-mer
5w7j
RCSB PDB
PDBbind
10-mer
5wkf
RCSB PDB
PDBbind
10-mer
5wkh
RCSB PDB
PDBbind
10-mer
6ar2
RCSB PDB
PDBbind
10-mer
6buu
RCSB PDB
PDBbind
10-mer
6fkp
RCSB PDB
PDBbind
10-mer
6mim
RCSB PDB
PDBbind
10-mer
6qtx
RCSB PDB
PDBbind
10-mer
6pek
RCSB PDB
PDBbind
10-mer
6iiw
RCSB PDB
PDBbind
10-mer
6hzx
RCSB PDB
PDBbind
10-mer
6hoi
RCSB PDB
PDBbind
10-mer
6dkp
RCSB PDB
PDBbind
10-mer
6a8n
RCSB PDB
PDBbind
10-mer
5zys
RCSB PDB
PDBbind
10-mer
Entry Information
PDB ID
1cka
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
c-crksh3-n
Ligand Name
10-mer
EC.Number
E.C.-.-.-.-
Resolution
1.5(Å)
Affinity (Kd/Ki/IC50)
Kd=1.9uM
Release Year
1995
Protein/NA Sequence
Check fasta file
Primary Reference
Structure v3 pp. 215-26, 1995
Ligand Properties
Formula
C
4
6
H
8
2
N
1
1
O
8
Molecular Weight
917.212
Exact Mass
916.635
No. of atoms
147
No. of bonds
151
Polar Surface Area
269.53
LOGP Value
0.76 (
Computed with XLOGP3
)
0.41 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 7
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 30
No. of Nitrogen and Oxygen Atoms: 19
No. of Rings: 5
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N[C@@H](CCCC[NH3+])C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1)C)CC(C)C
InChI String
InChI=1S/C46H79N11O8/c1-29(2)28-34(53-39(58)31(4)51-41(60)35-17-10-24-54(35)45(64)37-19-12-26-56(37)43(62)33-16-9-23-49-33)44(63)57-27-13-20-38(57)46(65)55-25-11-18-36(55)42(61)52-32(15-6-8-22-48)40(59)50-30(3)14-5-7-21-47/h29-38,49H,5-28,47-48H2,1-4H3,(H,50,59)(H,51,60)(H,52,61)(H,53,58)/p+3/t30-,31+,32+,33+,34+,35+,36+,37+,38+/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q64010
Entrez Gene ID
NCBI Entrez Gene ID:
12928
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝e湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com