ATOM 1 N TRP A 2 3.922 -10.253 2.249 1.00 0.00 N ATOM 2 CA TRP A 2 4.012 -9.463 0.992 1.00 0.00 C ATOM 3 C TRP A 2 2.637 -8.781 0.722 1.00 0.00 C ATOM 4 O TRP A 2 1.646 -9.178 1.341 1.00 0.00 O ATOM 5 CB TRP A 2 4.665 -10.270 -0.178 1.00 0.00 C ATOM 6 CG TRP A 2 5.932 -9.654 -0.798 1.00 0.00 C ATOM 7 CD1 TRP A 2 7.256 -10.072 -0.527 1.00 0.00 C ATOM 8 CD2 TRP A 2 6.046 -8.692 -1.786 1.00 0.00 C ATOM 9 NE1 TRP A 2 8.192 -9.385 -1.319 1.00 0.00 N ATOM 10 CE2 TRP A 2 7.421 -8.539 -2.097 1.00 0.00 C ATOM 11 CE3 TRP A 2 5.062 -7.959 -2.498 1.00 0.00 C ATOM 12 CZ2 TRP A 2 7.824 -7.624 -3.099 1.00 0.00 C ATOM 13 CZ3 TRP A 2 5.486 -7.037 -3.455 1.00 0.00 C ATOM 14 CH2 TRP A 2 6.845 -6.876 -3.755 1.00 0.00 C ATOM 15 H1 TRP A 2 3.844 -11.285 2.183 1.00 0.00 H ATOM 16 HA TRP A 2 4.710 -8.614 1.122 1.00 0.00 H ATOM 17 HB2 TRP A 2 4.927 -11.298 0.143 1.00 0.00 H ATOM 18 HB3 TRP A 2 3.894 -10.433 -0.953 1.00 0.00 H ATOM 19 HD1 TRP A 2 7.516 -10.859 0.167 1.00 0.00 H ATOM 20 HE1 TRP A 2 9.210 -9.518 -1.351 1.00 0.00 H ATOM 21 HE3 TRP A 2 4.010 -8.125 -2.315 1.00 0.00 H ATOM 22 HZ2 TRP A 2 8.869 -7.492 -3.344 1.00 0.00 H ATOM 23 HZ3 TRP A 2 4.751 -6.442 -3.978 1.00 0.00 H ATOM 24 HH2 TRP A 2 7.142 -6.154 -4.502 1.00 0.00 H HETATM 25 N DSG A 3 2.503 -7.721 -0.107 1.00 0.00 N HETATM 26 CA DSG A 3 1.341 -6.797 -0.200 1.00 0.00 C HETATM 27 C DSG A 3 1.631 -5.257 -0.119 1.00 0.00 C HETATM 28 O DSG A 3 1.255 -4.544 -1.052 1.00 0.00 O HETATM 29 CB DSG A 3 0.495 -7.224 -1.439 1.00 0.00 C HETATM 30 CG DSG A 3 1.306 -7.495 -2.729 1.00 0.00 C HETATM 31 OD1 DSG A 3 1.014 -8.409 -3.499 1.00 0.00 O HETATM 32 ND2 DSG A 3 2.346 -6.711 -2.982 1.00 0.00 N HETATM 33 H DSG A 3 3.359 -7.540 -0.657 1.00 0.00 H HETATM 34 HA DSG A 3 0.696 -7.034 0.666 1.00 0.00 H HETATM 35 HB2 DSG A 3 -0.092 -8.132 -1.213 1.00 0.00 H HETATM 36 HB3 DSG A 3 -0.280 -6.460 -1.650 1.00 0.00 H HETATM 37 HD21 DSG A 3 2.498 -5.918 -2.349 1.00 0.00 H HETATM 38 HD22 DSG A 3 2.924 -6.968 -3.789 1.00 0.00 H ATOM 39 N ASP A 4 2.162 -4.710 0.992 1.00 0.00 N ATOM 40 CA ASP A 4 2.290 -3.272 1.364 1.00 0.00 C ATOM 41 C ASP A 4 1.173 -2.442 0.660 1.00 0.00 C ATOM 42 O ASP A 4 0.003 -2.840 0.764 1.00 0.00 O ATOM 43 CB ASP A 4 3.759 -2.824 1.082 1.00 0.00 C ATOM 44 CG ASP A 4 4.063 -1.321 1.044 1.00 0.00 C ATOM 45 OD1 ASP A 4 3.308 -0.521 1.638 1.00 0.00 O ATOM 46 OD2 ASP A 4 5.063 -0.933 0.400 1.00 0.00 O ATOM 47 H ASP A 4 2.560 -5.428 1.636 1.00 0.00 H ATOM 48 HA ASP A 4 2.130 -3.169 2.454 1.00 0.00 H ATOM 49 HB2 ASP A 4 4.410 -3.236 1.902 1.00 0.00 H ATOM 50 HB3 ASP A 4 4.160 -3.323 0.177 1.00 0.00 H ATOM 51 N THR A 5 1.408 -1.346 -0.091 1.00 0.00 N ATOM 52 CA THR A 5 0.379 -0.337 -0.472 1.00 0.00 C ATOM 53 C THR A 5 0.369 0.893 0.484 1.00 0.00 C ATOM 54 O THR A 5 -0.695 1.269 0.980 1.00 0.00 O ATOM 55 CB THR A 5 0.290 -0.057 -2.019 1.00 0.00 C ATOM 56 OG1 THR A 5 -1.104 0.230 -2.362 1.00 0.00 O ATOM 57 CG2 THR A 5 1.097 1.153 -2.524 1.00 0.00 C ATOM 58 H THR A 5 2.352 -1.309 -0.489 1.00 0.00 H ATOM 59 HA THR A 5 -0.571 -0.876 -0.303 1.00 0.00 H ATOM 60 HB THR A 5 0.662 -0.946 -2.561 1.00 0.00 H ATOM 61 HG21 THR A 5 2.184 1.010 -2.377 1.00 0.00 H ATOM 62 HG22 THR A 5 0.809 2.084 -1.998 1.00 0.00 H ATOM 63 HG23 THR A 5 0.938 1.319 -3.604 1.00 0.00 H ATOM 64 N GLY A 6 1.483 1.631 0.685 1.00 0.00 N ATOM 65 CA GLY A 6 1.749 2.485 1.874 1.00 0.00 C ATOM 66 C GLY A 6 3.142 3.166 1.712 1.00 0.00 C ATOM 67 O GLY A 6 3.883 3.242 2.695 1.00 0.00 O ATOM 68 H GLY A 6 2.209 1.475 -0.025 1.00 0.00 H ATOM 69 HA2 GLY A 6 0.939 3.220 1.990 1.00 0.00 H ATOM 70 HA3 GLY A 6 1.756 1.890 2.804 1.00 0.00 H HETATM 71 N ORN A 7 3.552 3.694 0.541 1.00 0.00 N HETATM 72 CA ORN A 7 4.627 4.708 0.372 1.00 0.00 C HETATM 73 CB ORN A 7 5.059 4.675 -1.126 1.00 0.00 C HETATM 74 CG ORN A 7 4.885 3.323 -1.862 1.00 0.00 C HETATM 75 CD ORN A 7 3.557 3.221 -2.633 1.00 0.00 C HETATM 76 NE ORN A 7 3.571 4.057 -3.847 1.00 0.00 N HETATM 77 C ORN A 7 4.166 6.130 0.813 1.00 0.00 C HETATM 78 O ORN A 7 3.021 6.496 0.537 1.00 0.00 O HETATM 79 H ORN A 7 3.125 3.254 -0.281 1.00 0.00 H HETATM 80 HA ORN A 7 5.515 4.385 0.953 1.00 0.00 H HETATM 81 HB2 ORN A 7 4.489 5.443 -1.686 1.00 0.00 H HETATM 82 HB3 ORN A 7 6.120 4.981 -1.203 1.00 0.00 H HETATM 83 HG2 ORN A 7 5.728 3.177 -2.565 1.00 0.00 H HETATM 84 HG3 ORN A 7 4.961 2.494 -1.131 1.00 0.00 H HETATM 85 HD2 ORN A 7 3.354 2.172 -2.918 1.00 0.00 H HETATM 86 HD3 ORN A 7 2.712 3.536 -1.993 1.00 0.00 H HETATM 87 HE1 ORN A 7 4.124 4.911 -3.711 1.00 0.00 H HETATM 88 HE2 ORN A 7 2.625 4.347 -4.118 1.00 0.00 H HETATM 89 HE3 ORN A 7 3.976 3.557 -4.646 1.00 0.00 H ATOM 90 N ASP A 8 5.015 7.015 1.377 1.00 0.00 N ATOM 91 CA ASP A 8 4.619 8.159 2.242 1.00 0.00 C ATOM 92 C ASP A 8 4.497 9.444 1.368 1.00 0.00 C ATOM 93 O ASP A 8 5.361 9.670 0.518 1.00 0.00 O ATOM 94 CB ASP A 8 5.622 8.268 3.428 1.00 0.00 C ATOM 95 CG ASP A 8 5.190 9.175 4.590 1.00 0.00 C ATOM 96 OD1 ASP A 8 4.275 10.009 4.413 1.00 0.00 O ATOM 97 OD2 ASP A 8 5.782 9.060 5.685 1.00 0.00 O ATOM 98 H ASP A 8 6.005 6.777 1.246 1.00 0.00 H ATOM 99 HA ASP A 8 3.622 7.956 2.674 1.00 0.00 H ATOM 100 HB2 ASP A 8 5.811 7.264 3.857 1.00 0.00 H ATOM 101 HB3 ASP A 8 6.612 8.603 3.065 1.00 0.00 H HETATM 102 N DAL A 9 3.459 10.296 1.492 1.00 0.00 N HETATM 103 CA DAL A 9 3.379 11.656 0.891 1.00 0.00 C HETATM 104 CB DAL A 9 4.393 12.742 1.312 1.00 0.00 C HETATM 105 C DAL A 9 1.907 12.138 0.701 1.00 0.00 C HETATM 106 O DAL A 9 1.505 13.093 1.370 1.00 0.00 O HETATM 107 H DAL A 9 2.705 9.946 2.094 1.00 0.00 H HETATM 108 HA DAL A 9 3.708 11.462 -0.146 1.00 0.00 H HETATM 109 HB1 DAL A 9 4.174 13.170 2.302 1.00 0.00 H HETATM 110 HB2 DAL A 9 5.428 12.355 1.334 1.00 0.00 H HETATM 111 HB3 DAL A 9 4.390 13.590 0.604 1.00 0.00 H ATOM 112 N ASP A 10 1.106 11.621 -0.253 1.00 0.00 N ATOM 113 CA ASP A 10 -0.367 11.805 -0.362 1.00 0.00 C ATOM 114 C ASP A 10 -1.084 10.798 0.587 1.00 0.00 C ATOM 115 O ASP A 10 -1.736 11.236 1.538 1.00 0.00 O ATOM 116 CB ASP A 10 -0.764 11.692 -1.865 1.00 0.00 C ATOM 117 CG ASP A 10 -0.803 10.282 -2.468 1.00 0.00 C ATOM 118 OD1 ASP A 10 -1.870 9.631 -2.401 1.00 0.00 O ATOM 119 OD2 ASP A 10 0.223 9.816 -3.014 1.00 0.00 O ATOM 120 H ASP A 10 1.618 11.150 -1.012 1.00 0.00 H ATOM 121 HA ASP A 10 -0.633 12.823 -0.026 1.00 0.00 H ATOM 122 HB2 ASP A 10 -1.742 12.180 -2.034 1.00 0.00 H ATOM 123 HB3 ASP A 10 -0.055 12.280 -2.481 1.00 0.00 H ATOM 124 N GLY A 11 -0.977 9.463 0.424 1.00 0.00 N ATOM 125 CA GLY A 11 -1.459 8.437 1.386 1.00 0.00 C ATOM 126 C GLY A 11 -2.681 7.683 0.781 1.00 0.00 C ATOM 127 O GLY A 11 -3.479 8.311 0.081 1.00 0.00 O ATOM 128 H GLY A 11 -0.424 9.192 -0.399 1.00 0.00 H ATOM 129 HA2 GLY A 11 -0.672 7.721 1.646 1.00 0.00 H ATOM 130 HA3 GLY A 11 -1.732 8.935 2.324 1.00 0.00 H HETATM 131 N DSN A 12 -2.961 6.399 1.095 1.00 0.00 N HETATM 132 CA DSN A 12 -4.287 5.740 0.923 1.00 0.00 C HETATM 133 C DSN A 12 -4.147 4.276 0.407 1.00 0.00 C HETATM 134 O DSN A 12 -3.058 3.705 0.552 1.00 0.00 O HETATM 135 CB DSN A 12 -5.329 6.245 1.956 1.00 0.00 C HETATM 136 OG DSN A 12 -4.719 6.474 3.220 1.00 0.00 O HETATM 137 H DSN A 12 -2.140 5.853 1.378 1.00 0.00 H HETATM 138 HA DSN A 12 -4.642 6.261 0.002 1.00 0.00 H HETATM 139 HB2 DSN A 12 -5.856 7.146 1.610 1.00 0.00 H HETATM 140 HB3 DSN A 12 -6.126 5.495 2.111 1.00 0.00 H HETATM 141 HG DSN A 12 -4.160 7.246 3.106 1.00 0.00 H HETATM 142 N LME A 13 -5.154 3.602 -0.182 1.00 0.00 N HETATM 143 CA LME A 13 -5.225 2.149 -0.464 1.00 0.00 C HETATM 144 CB LME A 13 -6.686 1.539 -0.532 1.00 0.00 C HETATM 145 C1 LME A 13 -6.719 0.043 -0.084 1.00 0.00 C HETATM 146 CG LME A 13 -7.781 2.283 0.311 1.00 0.00 C HETATM 147 CD LME A 13 -7.757 3.784 0.632 1.00 0.00 C HETATM 148 OE1 LME A 13 -7.267 4.166 1.718 1.00 0.00 O HETATM 149 OE2 LME A 13 -8.244 4.591 -0.192 1.00 0.00 O HETATM 150 C LME A 13 -4.124 1.630 -1.456 1.00 0.00 C HETATM 151 O LME A 13 -3.236 2.388 -1.845 1.00 0.00 O HETATM 152 H LME A 13 -5.894 4.219 -0.572 1.00 0.00 H HETATM 153 HA LME A 13 -4.866 1.681 0.481 1.00 0.00 H HETATM 154 HB LME A 13 -6.997 1.586 -1.587 1.00 0.00 H HETATM 155 H11 LME A 13 -7.742 -0.376 -0.121 1.00 0.00 H HETATM 156 H12 LME A 13 -6.108 -0.605 -0.732 1.00 0.00 H HETATM 157 H13 LME A 13 -6.352 -0.084 0.950 1.00 0.00 H HETATM 158 HG2 LME A 13 -8.791 2.044 -0.129 1.00 0.00 H HETATM 159 HG3 LME A 13 -7.849 1.783 1.308 1.00 0.00 H HETATM 160 C KYN A 14 -2.029 -0.805 -2.438 1.00 0.00 C HETATM 161 N KYN A 14 -4.079 0.324 -1.787 1.00 0.00 N HETATM 162 C1 KYN A 14 -5.731 -1.646 -2.679 1.00 0.00 C HETATM 163 N1 KYN A 14 -8.445 -2.111 -1.325 1.00 0.00 N HETATM 164 O2 KYN A 14 -5.527 -2.357 -1.700 1.00 0.00 O HETATM 165 CA KYN A 14 -3.406 -0.317 -2.939 1.00 0.00 C HETATM 166 CB KYN A 14 -4.383 -1.415 -3.508 1.00 0.00 C HETATM 167 CG KYN A 14 -8.329 -1.304 -2.382 1.00 0.00 C HETATM 168 CZ KYN A 14 -8.311 0.405 -4.595 1.00 0.00 C HETATM 169 CD1 KYN A 14 -9.511 -0.691 -2.826 1.00 0.00 C HETATM 170 CD2 KYN A 14 -7.094 -1.060 -3.051 1.00 0.00 C HETATM 171 CE1 KYN A 14 -9.494 0.157 -3.923 1.00 0.00 C HETATM 172 CE2 KYN A 14 -7.134 -0.190 -4.168 1.00 0.00 C HETATM 173 O KYN A 14 -1.794 -1.991 -2.156 1.00 0.00 O HETATM 174 H KYN A 14 -4.719 -0.267 -1.222 1.00 0.00 H HETATM 175 HN1 KYN A 14 -7.595 -2.576 -0.990 1.00 0.00 H HETATM 176 HN1A KYN A 14 -9.392 -2.217 -0.925 1.00 0.00 H HETATM 177 HA KYN A 14 -3.214 0.426 -3.735 1.00 0.00 H HETATM 178 HB KYN A 14 -4.722 -1.065 -4.466 1.00 0.00 H HETATM 179 HBA KYN A 14 -3.852 -2.341 -3.585 1.00 0.00 H HETATM 180 HZ KYN A 14 -8.303 1.064 -5.451 1.00 0.00 H HETATM 181 HD1 KYN A 14 -10.460 -0.861 -2.332 1.00 0.00 H HETATM 182 HE1 KYN A 14 -10.410 0.625 -4.256 1.00 0.00 H HETATM 183 HE2 KYN A 14 -6.255 0.046 -4.750 1.00 0.00 H TER 184 KYN A 14 HETATM 185 C1 DKA A 1 4.067 -9.798 3.509 1.00 0.00 C HETATM 186 O1 DKA A 1 3.860 -8.604 3.740 1.00 0.00 O HETATM 187 C2 DKA A 1 4.590 -10.710 4.660 1.00 0.00 C HETATM 188 C3 DKA A 1 4.751 -10.055 6.047 1.00 0.00 C HETATM 189 C4 DKA A 1 4.078 -10.848 7.186 1.00 0.00 C HETATM 190 C5 DKA A 1 2.542 -10.808 7.130 1.00 0.00 C HETATM 191 C6 DKA A 1 1.900 -11.056 8.510 1.00 0.00 C HETATM 192 C7 DKA A 1 1.452 -12.517 8.706 1.00 0.00 C HETATM 193 C8 DKA A 1 0.133 -12.839 7.977 1.00 0.00 C HETATM 194 C9 DKA A 1 -1.107 -12.608 8.861 1.00 0.00 C HETATM 195 C10 DKA A 1 -1.473 -13.834 9.705 1.00 0.00 C HETATM 196 H21 DKA A 1 5.562 -11.159 4.393 1.00 0.00 H HETATM 197 H22 DKA A 1 3.891 -11.564 4.749 1.00 0.00 H HETATM 198 H31 DKA A 1 5.832 -9.962 6.266 1.00 0.00 H HETATM 199 H32 DKA A 1 4.371 -9.015 6.020 1.00 0.00 H HETATM 200 H41 DKA A 1 4.419 -11.900 7.162 1.00 0.00 H HETATM 201 H42 DKA A 1 4.423 -10.442 8.155 1.00 0.00 H HETATM 202 H51 DKA A 1 2.207 -9.827 6.741 1.00 0.00 H HETATM 203 H52 DKA A 1 2.181 -11.562 6.406 1.00 0.00 H HETATM 204 H61 DKA A 1 2.617 -10.777 9.305 1.00 0.00 H HETATM 205 H62 DKA A 1 1.033 -10.381 8.636 1.00 0.00 H HETATM 206 H71 DKA A 1 2.247 -13.201 8.350 1.00 0.00 H HETATM 207 H72 DKA A 1 1.338 -12.723 9.787 1.00 0.00 H HETATM 208 H81 DKA A 1 0.057 -12.219 7.064 1.00 0.00 H HETATM 209 H82 DKA A 1 0.150 -13.889 7.629 1.00 0.00 H HETATM 210 H91 DKA A 1 -1.974 -12.336 8.231 1.00 0.00 H HETATM 211 H92 DKA A 1 -0.939 -11.745 9.531 1.00 0.00 H HETATM 212 H101 DKA A 1 -2.565 -13.917 9.857 1.00 0.00 H HETATM 213 H102 DKA A 1 -1.141 -14.768 9.215 1.00 0.00 H HETATM 214 H103 DKA A 1 -0.997 -13.802 10.703 1.00 0.00 H