HEADER STRUCTURE FROM CYANA 3.98.13 24-SEP-20 1PDB EXPDTA NMR, 1 STRUCTURE REMARK 99 B-FACTOR COLUMN STORES ADDITIONAL COORDINATE DIGITS. MODEL 1 ATOM 1 N ORN A 1 1.329 0.000 0.000 1.00 0.00 ATOM 2 H ORN A 1 1.807 0.000 0.855 1.00 0.04 ATOM 3 CA ORN A 1 2.099 0.000 -1.251 1.00 53.02 ATOM 4 CB ORN A 1 3.360 0.845 -1.074 1.00 24.45 ATOM 5 CG ORN A 1 3.080 2.282 -1.517 1.00 43.11 ATOM 6 CD ORN A 1 3.434 2.437 -2.997 1.00 53.42 ATOM 7 NE ORN A 1 2.339 1.905 -3.820 1.00 21.33 ATOM 8 HE1 ORN A 1 1.462 1.944 -3.324 1.00 14.45 ATOM 9 HE2 ORN A 1 2.277 2.393 -4.701 1.00 2.34 ATOM 10 HD2 ORN A 1 3.581 3.492 -3.227 1.00 42.34 ATOM 11 HD3 ORN A 1 4.351 1.887 -3.212 1.00 15.01 ATOM 12 HG2 ORN A 1 2.024 2.507 -1.370 1.00 41.40 ATOM 13 HG3 ORN A 1 3.685 2.968 -0.925 1.00 12.33 ATOM 14 HB2 ORN A 1 3.657 0.840 -0.024 1.00 30.21 ATOM 15 HB3 ORN A 1 4.166 0.428 -1.679 1.00 51.23 ATOM 16 HA ORN A 1 1.489 0.420 -2.051 1.00 50.35 ATOM 17 C ORN A 1 2.484 -1.413 -1.604 1.00 23.23 ATOM 18 O ORN A 1 3.668 -1.742 -1.690 1.00 52.54 ATOM 19 N PHE A 2 1.482 -2.261 -1.810 1.00 11.04 ATOM 20 H PHE A 2 0.559 -1.940 -1.726 1.00 4.22 ATOM 21 CA PHE A 2 1.720 -3.657 -2.156 1.00 64.31 ATOM 22 HA PHE A 2 0.762 -4.126 -2.318 1.00 21.12 ATOM 23 CB PHE A 2 2.545 -3.752 -3.441 1.00 70.15 ATOM 24 HB2 PHE A 2 2.596 -2.777 -3.901 1.00 55.41 ATOM 25 HB3 PHE A 2 3.543 -4.082 -3.197 1.00 21.55 ATOM 26 CG PHE A 2 1.975 -4.708 -4.450 1.00 52.33 ATOM 27 CD1 PHE A 2 0.799 -4.409 -5.119 1.00 72.34 ATOM 28 HD1 PHE A 2 0.291 -3.478 -4.910 1.00 23.13 ATOM 29 CE1 PHE A 2 0.272 -5.286 -6.049 1.00 34.33 ATOM 30 HE1 PHE A 2 -0.646 -5.041 -6.562 1.00 72.45 ATOM 31 CZ PHE A 2 0.919 -6.476 -6.317 1.00 72.41 ATOM 32 HZ PHE A 2 0.509 -7.163 -7.043 1.00 41.41 ATOM 33 CE2 PHE A 2 2.092 -6.785 -5.657 1.00 64.44 ATOM 34 HE2 PHE A 2 2.600 -7.715 -5.865 1.00 62.43 ATOM 35 CD2 PHE A 2 2.615 -5.905 -4.729 1.00 14.20 ATOM 36 HD2 PHE A 2 3.532 -6.148 -4.213 1.00 73.42 ATOM 37 C PHE A 2 2.439 -4.384 -1.023 1.00 12.22 ATOM 38 O PHE A 2 3.263 -5.267 -1.262 1.00 34.33 ATOM 39 N ILE A 3 2.121 -4.005 0.210 1.00 10.53 ATOM 40 H ILE A 3 1.457 -3.295 0.336 1.00 23.01 ATOM 41 CA ILE A 3 2.735 -4.620 1.380 1.00 1.44 ATOM 42 HA ILE A 3 2.197 -4.282 2.255 1.00 63.32 ATOM 43 CB ILE A 3 2.647 -6.156 1.320 1.00 24.11 ATOM 44 HB ILE A 3 3.364 -6.507 0.593 1.00 30.14 ATOM 45 CG2 ILE A 3 3.006 -6.760 2.669 1.00 21.44 ATOM 46 HG21 ILE A 3 4.078 -6.879 2.737 1.00 15.45 ATOM 47 HG22 ILE A 3 2.665 -6.107 3.459 1.00 41.14 ATOM 48 HG23 ILE A 3 2.530 -7.725 2.770 1.00 45.23 ATOM 49 CG1 ILE A 3 1.245 -6.592 0.891 1.00 70.12 ATOM 50 HG12 ILE A 3 1.053 -6.234 -0.108 1.00 42.41 ATOM 51 HG13 ILE A 3 1.194 -7.671 0.897 1.00 21.45 ATOM 52 CD1 ILE A 3 0.148 -6.069 1.791 1.00 55.43 ATOM 53 HD11 ILE A 3 -0.448 -6.895 2.150 1.00 0.32 ATOM 54 HD12 ILE A 3 0.587 -5.550 2.630 1.00 51.43 ATOM 55 HD13 ILE A 3 -0.480 -5.388 1.235 1.00 42.33 ATOM 56 C ILE A 3 4.198 -4.210 1.513 1.00 70.03 ATOM 57 O ILE A 3 4.564 -3.456 2.415 1.00 54.32 ATOM 58 N HIS A 4 5.031 -4.711 0.606 1.00 5.23 ATOM 59 H HIS A 4 4.680 -5.306 -0.088 1.00 64.31 ATOM 60 CA HIS A 4 6.455 -4.395 0.620 1.00 44.01 ATOM 61 HA HIS A 4 6.614 -3.611 1.345 1.00 63.21 ATOM 62 CB HIS A 4 7.268 -5.624 1.029 1.00 10.34 ATOM 63 HB2 HIS A 4 8.311 -5.446 0.813 1.00 50.13 ATOM 64 HB3 HIS A 4 7.149 -5.789 2.091 1.00 53.04 ATOM 65 CG HIS A 4 6.858 -6.877 0.319 1.00 44.23 ATOM 66 ND1 HIS A 4 6.800 -6.978 -1.055 1.00 40.13 ATOM 67 CD2 HIS A 4 6.487 -8.086 0.800 1.00 62.45 ATOM 68 HD1 HIS A 4 7.012 -6.263 -1.691 1.00 71.51 ATOM 69 CE1 HIS A 4 6.409 -8.195 -1.389 1.00 0.12 ATOM 70 NE2 HIS A 4 6.213 -8.888 -0.281 1.00 40.34 ATOM 71 HD2 HIS A 4 6.419 -8.370 1.841 1.00 53.34 ATOM 72 HE1 HIS A 4 6.273 -8.562 -2.395 1.00 42.10 ATOM 73 C HIS A 4 6.915 -3.899 -0.748 1.00 20.22 ATOM 74 O HIS A 4 6.254 -4.135 -1.758 1.00 14.31 ATOM 75 N SAR A 5 8.052 -3.211 -0.771 1.00 72.21 ATOM 76 CN SAR A 5 8.915 -2.875 0.369 1.00 4.12 ATOM 77 HN1 SAR A 5 9.610 -2.087 0.078 1.00 11.32 ATOM 78 HN2 SAR A 5 8.302 -2.531 1.201 1.00 14.20 ATOM 79 HN3 SAR A 5 9.476 -3.760 0.672 1.00 13.41 ATOM 80 CA SAR A 5 8.603 -2.677 -2.024 1.00 61.13 ATOM 81 HA2 SAR A 5 7.797 -2.532 -2.743 1.00 32.05 ATOM 82 HA3 SAR A 5 9.092 -1.723 -1.828 1.00 1.23 ATOM 83 C SAR A 5 9.607 -3.650 -2.586 1.00 24.44 ATOM 84 O SAR A 5 10.034 -4.581 -1.902 1.00 23.51 ATOM 85 N HIS A 6 9.991 -3.439 -3.840 1.00 64.05 ATOM 86 H HIS A 6 9.616 -2.680 -4.334 1.00 34.43 ATOM 87 CA HIS A 6 10.959 -4.308 -4.501 1.00 32.33 ATOM 88 HA HIS A 6 10.610 -5.325 -4.405 1.00 61.40 ATOM 89 CB HIS A 6 11.063 -3.956 -5.985 1.00 5.22 ATOM 90 HB2 HIS A 6 10.919 -2.892 -6.106 1.00 71.44 ATOM 91 HB3 HIS A 6 12.047 -4.224 -6.344 1.00 32.15 ATOM 92 CG HIS A 6 10.053 -4.657 -6.840 1.00 24.33 ATOM 93 ND1 HIS A 6 9.623 -5.944 -6.594 1.00 12.03 ATOM 94 CD2 HIS A 6 9.387 -4.244 -7.943 1.00 11.53 ATOM 95 HD1 HIS A 6 9.924 -6.517 -5.858 1.00 75.35 ATOM 96 CE1 HIS A 6 8.736 -6.292 -7.509 1.00 45.14 ATOM 97 NE2 HIS A 6 8.575 -5.277 -8.340 1.00 20.53 ATOM 98 HD2 HIS A 6 9.477 -3.279 -8.423 1.00 34.03 ATOM 99 HE1 HIS A 6 8.229 -7.243 -7.569 1.00 64.23 ATOM 100 C HIS A 6 12.330 -4.195 -3.841 1.00 32.21 ATOM 101 O HIS A 6 12.438 -3.583 -2.779 1.00 62.34 ATOM 102 N PL A1000 13.335 -4.781 -4.475 1.00 74.04 ATOM 103 Q1 PL A1000 14.236 -4.711 -4.048 1.00 61.32 ATOM 104 Q2 PL A1000 12.147 -2.722 0.036 1.00 65.20 ATOM 105 Q3 LL5 A1001 16.655 -2.374 2.172 1.00 41.24 ATOM 106 Q1 LL5 A1001 14.566 -0.385 6.256 1.00 44.33 ATOM 107 Q2 LL5 A1001 10.341 -2.886 5.313 1.00 52.42 ATOM 108 Q3 LL5 A1002 8.252 -0.896 9.397 1.00 61.40 ATOM 109 Q1 LL5 A1002 4.026 -3.397 8.454 1.00 24.31 ATOM 110 Q2 LL5 A1002 6.606 -7.675 8.236 1.00 5.43 ATOM 111 Q3 LL5 A1003 2.381 -10.176 7.293 1.00 12.44 ATOM 112 Q1 LL5 A1003 4.961 -14.453 7.076 1.00 51.13 ATOM 113 Q2 LL5 A1003 0.954 -16.774 5.190 1.00 12.01 ATOM 114 Q3 LL5 A1004 3.534 -21.051 4.972 1.00 32.44 ATOM 115 Q1 LL5 A1004 -0.473 -23.372 3.087 1.00 73.52 ATOM 116 Q2 LL5 A1004 -0.239 -20.473 -0.980 1.00 30.20 ATOM 117 Q3 LL5 A1005 -4.246 -22.794 -2.866 1.00 32.34 ATOM 118 Q1 LL5 A1005 -4.012 -19.895 -6.932 1.00 61.14 ATOM 119 Q2 LL5 A1005 -1.929 -23.652 -9.491 1.00 33.21 ATOM 120 Q3 LL5 A1006 -1.695 -20.753 -13.558 1.00 10.02 ATOM 121 Q1 LL5 A1006 0.388 -24.510 -16.116 1.00 75.14 ATOM 122 Q2 LL5 A1006 1.473 -21.366 -19.850 1.00 34.32 ATOM 123 Q3 LL5 A1007 3.555 -25.123 -22.408 1.00 62.55 ATOM 124 Q1 LL5 A1007 4.640 -21.980 -26.142 1.00 2.41 ATOM 125 Q2 LL5 A1007 8.630 -20.348 -23.608 1.00 51.23 ATOM 126 Q3 LL5 A1008 9.715 -17.204 -27.342 1.00 0.13 ATOM 127 Q1 LL5 A1008 13.705 -15.572 -24.808 1.00 73.11 ATOM 128 Q2 LL5 A1008 10.721 -14.029 -21.104 1.00 44.34 ATOM 129 Q3 LL5 A1009 14.711 -12.397 -18.571 1.00 1.23 ATOM 130 Q1 LL5 A1009 11.728 -10.853 -14.867 1.00 72.40 ATOM 131 Q2 LL5 A1009 15.541 -8.327 -12.848 1.00 62.21 ATOM 132 Q3 LL5 A1010 12.558 -6.784 -9.144 1.00 51.33 ATOM 133 Q1 LL5 A1010 16.371 -4.258 -7.125 1.00 43.44 ATOM 134 Q2 LL5 A1010 15.787 -3.452 -7.030 1.00 11.22 ATOM 135 Q3 LP A1011 16.550 -2.947 -6.626 1.00 54.50 ATOM 136 C LP A1011 15.965 -2.141 -6.530 1.00 41.34 ATOM 137 O LP A1011 16.782 -1.438 -7.123 1.00 43.20 ATOM 138 N ORN A 7 14.813 -1.673 -6.061 1.00 43.41 ATOM 139 H ORN A 7 14.457 -0.833 -6.420 1.00 33.31 ATOM 140 CA ORN A 7 14.062 -2.383 -5.018 1.00 12.34 ATOM 141 CB ORN A 7 15.032 -2.914 -3.963 1.00 22.03 ATOM 142 CG ORN A 7 15.406 -4.361 -4.294 1.00 13.42 ATOM 143 CD ORN A 7 14.448 -5.312 -3.574 1.00 64.23 ATOM 144 NE ORN A 7 13.194 -5.409 -4.332 1.00 72.14 ATOM 145 HE1 ORN A 7 13.348 -5.227 -5.312 1.00 44.45 ATOM 146 HE2 ORN A 7 12.758 -6.310 -4.198 1.00 41.51 ATOM 147 HD2 ORN A 7 14.905 -6.299 -3.499 1.00 34.02 ATOM 148 HD3 ORN A 7 14.240 -4.931 -2.574 1.00 1.20 ATOM 149 HG2 ORN A 7 15.333 -4.517 -5.370 1.00 55.51 ATOM 150 HG3 ORN A 7 16.427 -4.555 -3.966 1.00 74.25 ATOM 151 HB2 ORN A 7 15.933 -2.299 -3.954 1.00 62.33 ATOM 152 HB3 ORN A 7 14.559 -2.877 -2.981 1.00 3.12 ATOM 153 HA ORN A 7 13.519 -3.216 -5.465 1.00 40.44 ATOM 154 C ORN A 7 13.084 -1.436 -4.371 1.00 31.42 ATOM 155 O ORN A 7 13.208 -1.112 -3.190 1.00 33.33 ATOM 156 N TRP A 8 12.103 -0.987 -5.145 1.00 70.22 ATOM 157 H TRP A 8 12.057 -1.282 -6.079 1.00 44.21 ATOM 158 CA TRP A 8 11.092 -0.066 -4.640 1.00 15.21 ATOM 159 HA TRP A 8 10.591 -0.546 -3.812 1.00 2.22 ATOM 160 CB TRP A 8 11.749 1.223 -4.144 1.00 14.31 ATOM 161 HB2 TRP A 8 12.335 1.006 -3.264 1.00 21.41 ATOM 162 HB3 TRP A 8 12.397 1.609 -4.918 1.00 33.13 ATOM 163 CG TRP A 8 10.762 2.294 -3.789 1.00 42.41 ATOM 164 CD1 TRP A 8 10.574 3.482 -4.436 1.00 41.32 ATOM 165 CD2 TRP A 8 9.831 2.276 -2.702 1.00 33.40 ATOM 166 CE3 TRP A 8 9.535 1.355 -1.694 1.00 35.35 ATOM 167 CE2 TRP A 8 9.109 3.484 -2.751 1.00 11.32 ATOM 168 NE1 TRP A 8 9.582 4.203 -3.817 1.00 13.13 ATOM 169 HD1 TRP A 8 11.132 3.796 -5.305 1.00 3.52 ATOM 170 HE3 TRP A 8 10.065 0.416 -1.621 1.00 15.42 ATOM 171 CZ3 TRP A 8 8.545 1.663 -0.779 1.00 44.32 ATOM 172 CZ2 TRP A 8 8.112 3.794 -1.829 1.00 24.40 ATOM 173 HE1 TRP A 8 9.263 5.088 -4.095 1.00 23.33 ATOM 174 HZ3 TRP A 8 8.303 0.964 0.008 1.00 60.04 ATOM 175 CH2 TRP A 8 7.843 2.874 -0.852 1.00 63.32 ATOM 176 HZ2 TRP A 8 7.562 4.722 -1.872 1.00 51.12 ATOM 177 HH2 TRP A 8 7.079 3.073 -0.117 1.00 22.11 ATOM 178 C TRP A 8 10.062 0.256 -5.717 1.00 74.01 ATOM 179 O TRP A 8 8.856 0.173 -5.482 1.00 30.15 ATOM 180 N PHE A 9 10.544 0.623 -6.900 1.00 14.42 ATOM 181 H PHE A 9 11.515 0.671 -7.026 1.00 74.13 ATOM 182 CA PHE A 9 9.664 0.958 -8.013 1.00 54.43 ATOM 183 HA PHE A 9 9.135 1.864 -7.757 1.00 24.54 ATOM 184 CB PHE A 9 10.483 1.202 -9.283 1.00 14.24 ATOM 185 HB2 PHE A 9 9.813 1.269 -10.127 1.00 2.50 ATOM 186 HB3 PHE A 9 11.022 2.132 -9.181 1.00 61.30 ATOM 187 CG PHE A 9 11.480 0.116 -9.570 1.00 53.45 ATOM 188 CD1 PHE A 9 11.058 -1.145 -9.959 1.00 14.14 ATOM 189 HD1 PHE A 9 9.999 -1.344 -10.054 1.00 2.31 ATOM 190 CE1 PHE A 9 11.973 -2.146 -10.225 1.00 35.34 ATOM 191 HE1 PHE A 9 11.630 -3.125 -10.526 1.00 34.03 ATOM 192 CZ PHE A 9 13.325 -1.894 -10.103 1.00 12.31 ATOM 193 HZ PHE A 9 14.041 -2.674 -10.311 1.00 22.21 ATOM 194 CE2 PHE A 9 13.759 -0.640 -9.717 1.00 74.25 ATOM 195 HE2 PHE A 9 14.815 -0.440 -9.621 1.00 64.33 ATOM 196 CD2 PHE A 9 12.839 0.357 -9.452 1.00 61.04 ATOM 197 HD2 PHE A 9 13.180 1.336 -9.150 1.00 50.31 ATOM 198 C PHE A 9 8.647 -0.153 -8.256 1.00 53.03 ATOM 199 O PHE A 9 8.743 -1.236 -7.678 1.00 2.23 ATOM 200 N HIS A 10 7.671 0.123 -9.116 1.00 42.21 ATOM 201 H HIS A 10 7.648 1.004 -9.545 1.00 71.33 ATOM 202 CA HIS A 10 6.636 -0.853 -9.437 1.00 15.55 ATOM 203 HA HIS A 10 5.972 -0.406 -10.161 1.00 51.23 ATOM 204 CB HIS A 10 7.260 -2.110 -10.042 1.00 73.01 ATOM 205 HB2 HIS A 10 8.122 -1.829 -10.629 1.00 74.12 ATOM 206 HB3 HIS A 10 7.572 -2.769 -9.245 1.00 4.12 ATOM 207 CG HIS A 10 6.327 -2.873 -10.932 1.00 10.13 ATOM 208 ND1 HIS A 10 6.081 -4.222 -10.784 1.00 14.51 ATOM 209 CD2 HIS A 10 5.577 -2.468 -11.983 1.00 43.04 ATOM 210 HD1 HIS A 10 6.478 -4.805 -10.105 1.00 11.35 ATOM 211 CE1 HIS A 10 5.221 -4.614 -11.707 1.00 41.44 ATOM 212 NE2 HIS A 10 4.900 -3.568 -12.448 1.00 34.20 ATOM 213 HD2 HIS A 10 5.522 -1.465 -12.384 1.00 61.41 ATOM 214 HE1 HIS A 10 4.844 -5.617 -11.835 1.00 65.33 ATOM 215 C HIS A 10 5.830 -1.218 -8.193 1.00 63.12 ATOM 216 O HIS A 10 6.231 -0.912 -7.070 1.00 71.22 ATOM 217 N SER A 11 4.693 -1.874 -8.402 1.00 51.42 ATOM 218 H SER A 11 4.427 -2.089 -9.321 1.00 45.20 ATOM 219 CA SER A 11 3.829 -2.277 -7.299 1.00 1.33 ATOM 220 HA SER A 11 2.992 -2.817 -7.714 1.00 34.32 ATOM 221 CB SER A 11 4.588 -3.195 -6.338 1.00 52.34 ATOM 222 HB2 SER A 11 3.930 -3.981 -6.001 1.00 11.13 ATOM 223 HB3 SER A 11 5.433 -3.629 -6.852 1.00 45.43 ATOM 224 OG SER A 11 5.058 -2.477 -5.211 1.00 13.43 ATOM 225 HG SER A 11 5.614 -1.750 -5.502 1.00 71.53 ATOM 226 C SER A 11 3.304 -1.058 -6.547 1.00 11.44 ATOM 227 O SER A 11 3.846 0.042 -6.667 1.00 73.33 ATOM 228 N HIS A 12 2.245 -1.261 -5.770 1.00 14.53 ATOM 229 H HIS A 12 1.857 -2.159 -5.715 1.00 5.11 ATOM 230 CA HIS A 12 1.645 -0.179 -4.997 1.00 1.34 ATOM 231 HA HIS A 12 1.395 0.618 -5.680 1.00 52.32 ATOM 232 CB HIS A 12 0.369 -0.662 -4.308 1.00 33.43 ATOM 233 HB2 HIS A 12 0.513 -1.677 -3.968 1.00 25.32 ATOM 234 HB3 HIS A 12 0.164 -0.029 -3.457 1.00 0.42 ATOM 235 CG HIS A 12 -0.836 -0.643 -5.197 1.00 71.32 ATOM 236 ND1 HIS A 12 -0.855 -1.216 -6.452 1.00 4.44 ATOM 237 CD2 HIS A 12 -2.069 -0.118 -5.007 1.00 0.02 ATOM 238 HD1 HIS A 12 -0.105 -1.679 -6.880 1.00 54.23 ATOM 239 CE1 HIS A 12 -2.046 -1.042 -6.995 1.00 11.40 ATOM 240 NE2 HIS A 12 -2.802 -0.379 -6.138 1.00 41.44 ATOM 241 HD2 HIS A 12 -2.413 0.409 -4.128 1.00 13.20 ATOM 242 HE1 HIS A 12 -2.351 -1.383 -7.973 1.00 32.33 ATOM 243 C HIS A 12 2.627 0.356 -3.958 1.00 33.51 ATOM 244 O HIS A 12 3.709 -0.202 -3.768 1.00 55.43 TER 245 HIS A 12 ENDMDL END