ATOM 1 N TRP A 2 2.183 -9.605 -1.250 1.00 0.00 N ATOM 2 CA TRP A 2 3.287 -9.358 -0.285 1.00 0.00 C ATOM 3 C TRP A 2 3.283 -7.853 0.127 1.00 0.00 C ATOM 4 O TRP A 2 2.568 -7.065 -0.495 1.00 0.00 O ATOM 5 CB TRP A 2 4.650 -9.966 -0.747 1.00 0.00 C ATOM 6 CG TRP A 2 5.348 -10.891 0.266 1.00 0.00 C ATOM 7 CD1 TRP A 2 5.359 -12.303 0.207 1.00 0.00 C ATOM 8 CD2 TRP A 2 6.151 -10.560 1.344 1.00 0.00 C ATOM 9 NE1 TRP A 2 6.156 -12.861 1.224 1.00 0.00 N ATOM 10 CE2 TRP A 2 6.632 -11.764 1.919 1.00 0.00 C ATOM 11 CE3 TRP A 2 6.561 -9.302 1.856 1.00 0.00 C ATOM 12 CZ2 TRP A 2 7.522 -11.717 3.020 1.00 0.00 C ATOM 13 CZ3 TRP A 2 7.441 -9.282 2.940 1.00 0.00 C ATOM 14 CH2 TRP A 2 7.889 -10.471 3.532 1.00 0.00 C ATOM 15 H1 TRP A 2 2.409 -9.877 -2.222 1.00 0.00 H ATOM 16 HA TRP A 2 3.091 -9.891 0.664 1.00 0.00 H ATOM 17 HB2 TRP A 2 4.530 -10.531 -1.684 1.00 0.00 H ATOM 18 HB3 TRP A 2 5.325 -9.135 -1.022 1.00 0.00 H ATOM 19 HD1 TRP A 2 4.837 -12.885 -0.538 1.00 0.00 H ATOM 20 HE1 TRP A 2 6.354 -13.853 1.394 1.00 0.00 H ATOM 21 HE3 TRP A 2 6.212 -8.382 1.408 1.00 0.00 H ATOM 22 HZ2 TRP A 2 7.903 -12.625 3.464 1.00 0.00 H ATOM 23 HZ3 TRP A 2 7.788 -8.334 3.323 1.00 0.00 H ATOM 24 HH2 TRP A 2 8.521 -10.422 4.406 1.00 0.00 H HETATM 25 N DSG A 3 3.967 -7.413 1.205 1.00 0.00 N HETATM 26 CA DSG A 3 4.021 -6.006 1.681 1.00 0.00 C HETATM 27 C DSG A 3 2.673 -5.307 2.040 1.00 0.00 C HETATM 28 O DSG A 3 1.618 -5.920 1.863 1.00 0.00 O HETATM 29 CB DSG A 3 5.097 -5.928 2.812 1.00 0.00 C HETATM 30 CG DSG A 3 5.011 -7.007 3.912 1.00 0.00 C HETATM 31 OD1 DSG A 3 6.011 -7.363 4.535 1.00 0.00 O HETATM 32 ND2 DSG A 3 3.832 -7.545 4.181 1.00 0.00 N HETATM 33 H DSG A 3 4.385 -8.172 1.760 1.00 0.00 H HETATM 34 HA DSG A 3 4.475 -5.427 0.852 1.00 0.00 H HETATM 35 HB2 DSG A 3 6.111 -5.974 2.375 1.00 0.00 H HETATM 36 HB3 DSG A 3 5.063 -4.926 3.287 1.00 0.00 H HETATM 37 HD21 DSG A 3 3.028 -7.171 3.666 1.00 0.00 H HETATM 38 HD22 DSG A 3 3.820 -8.291 4.885 1.00 0.00 H ATOM 39 N ASP A 4 2.625 -4.017 2.434 1.00 0.00 N ATOM 40 CA ASP A 4 1.449 -3.344 3.051 1.00 0.00 C ATOM 41 C ASP A 4 0.409 -3.009 1.939 1.00 0.00 C ATOM 42 O ASP A 4 -0.768 -3.341 2.105 1.00 0.00 O ATOM 43 CB ASP A 4 1.931 -2.115 3.880 1.00 0.00 C ATOM 44 CG ASP A 4 1.336 -1.990 5.291 1.00 0.00 C ATOM 45 OD1 ASP A 4 0.249 -1.388 5.427 1.00 0.00 O ATOM 46 OD2 ASP A 4 1.942 -2.493 6.262 1.00 0.00 O ATOM 47 H ASP A 4 3.526 -3.534 2.377 1.00 0.00 H ATOM 48 HA ASP A 4 0.975 -4.046 3.759 1.00 0.00 H ATOM 49 HB2 ASP A 4 3.030 -2.135 3.999 1.00 0.00 H ATOM 50 HB3 ASP A 4 1.729 -1.178 3.327 1.00 0.00 H ATOM 51 N THR A 5 0.737 -2.286 0.848 1.00 0.00 N ATOM 52 CA THR A 5 -0.196 -1.431 0.060 1.00 0.00 C ATOM 53 C THR A 5 -0.052 0.081 0.409 1.00 0.00 C ATOM 54 O THR A 5 -1.053 0.737 0.704 1.00 0.00 O ATOM 55 CB THR A 5 -0.293 -1.822 -1.461 1.00 0.00 C ATOM 56 OG1 THR A 5 -1.623 -1.469 -1.949 1.00 0.00 O ATOM 57 CG2 THR A 5 0.697 -1.101 -2.396 1.00 0.00 C ATOM 58 H THR A 5 1.742 -2.287 0.641 1.00 0.00 H ATOM 59 HA THR A 5 -1.191 -1.746 0.426 1.00 0.00 H ATOM 60 HB THR A 5 -0.095 -2.905 -1.564 1.00 0.00 H ATOM 61 HG21 THR A 5 1.746 -1.359 -2.156 1.00 0.00 H ATOM 62 HG22 THR A 5 0.601 -0.001 -2.324 1.00 0.00 H ATOM 63 HG23 THR A 5 0.530 -1.382 -3.449 1.00 0.00 H ATOM 64 N GLY A 6 1.132 0.717 0.277 1.00 0.00 N ATOM 65 CA GLY A 6 1.517 1.981 0.958 1.00 0.00 C ATOM 66 C GLY A 6 2.631 2.691 0.129 1.00 0.00 C ATOM 67 O GLY A 6 3.784 2.257 0.187 1.00 0.00 O ATOM 68 H GLY A 6 1.821 0.188 -0.276 1.00 0.00 H ATOM 69 HA2 GLY A 6 0.628 2.615 1.091 1.00 0.00 H ATOM 70 HA3 GLY A 6 1.907 1.788 1.973 1.00 0.00 H HETATM 71 N ORN A 7 2.379 3.791 -0.610 1.00 0.00 N HETATM 72 CA ORN A 7 3.379 4.823 -0.995 1.00 0.00 C HETATM 73 CB ORN A 7 3.160 5.149 -2.500 1.00 0.00 C HETATM 74 CG ORN A 7 1.766 4.852 -3.111 1.00 0.00 C HETATM 75 CD ORN A 7 1.648 3.446 -3.721 1.00 0.00 C HETATM 76 NE ORN A 7 2.348 2.426 -2.924 1.00 0.00 N HETATM 77 C ORN A 7 3.263 6.102 -0.108 1.00 0.00 C HETATM 78 O ORN A 7 2.142 6.505 0.210 1.00 0.00 O HETATM 79 H ORN A 7 1.384 3.932 -0.816 1.00 0.00 H HETATM 80 HA ORN A 7 4.394 4.378 -0.902 1.00 0.00 H HETATM 81 HB2 ORN A 7 3.345 6.244 -2.647 1.00 0.00 H HETATM 82 HB3 ORN A 7 3.928 4.656 -3.131 1.00 0.00 H HETATM 83 HG2 ORN A 7 0.990 4.977 -2.327 1.00 0.00 H HETATM 84 HG3 ORN A 7 1.531 5.618 -3.877 1.00 0.00 H HETATM 85 HD2 ORN A 7 0.581 3.158 -3.824 1.00 0.00 H HETATM 86 HD3 ORN A 7 2.060 3.437 -4.753 1.00 0.00 H HETATM 87 HE1 ORN A 7 3.255 2.764 -2.582 1.00 0.00 H HETATM 88 HE2 ORN A 7 2.528 1.576 -3.472 1.00 0.00 H HETATM 89 HE3 ORN A 7 1.800 2.146 -2.102 1.00 0.00 H ATOM 90 N ASP A 8 4.348 6.781 0.316 1.00 0.00 N ATOM 91 CA ASP A 8 4.403 7.662 1.514 1.00 0.00 C ATOM 92 C ASP A 8 4.222 9.147 1.070 1.00 0.00 C ATOM 93 O ASP A 8 4.829 9.547 0.075 1.00 0.00 O ATOM 94 CB ASP A 8 5.720 7.371 2.293 1.00 0.00 C ATOM 95 CG ASP A 8 5.797 7.942 3.716 1.00 0.00 C ATOM 96 OD1 ASP A 8 4.763 7.998 4.417 1.00 0.00 O ATOM 97 OD2 ASP A 8 6.905 8.343 4.136 1.00 0.00 O ATOM 98 H ASP A 8 5.161 6.692 -0.305 1.00 0.00 H ATOM 99 HA ASP A 8 3.563 7.413 2.186 1.00 0.00 H ATOM 100 HB2 ASP A 8 5.907 6.281 2.337 1.00 0.00 H ATOM 101 HB3 ASP A 8 6.586 7.776 1.736 1.00 0.00 H HETATM 102 N DAL A 9 3.341 9.970 1.674 1.00 0.00 N HETATM 103 CA DAL A 9 3.398 11.458 1.655 1.00 0.00 C HETATM 104 CB DAL A 9 4.564 12.189 2.357 1.00 0.00 C HETATM 105 C DAL A 9 1.991 12.113 1.814 1.00 0.00 C HETATM 106 O DAL A 9 1.736 12.721 2.856 1.00 0.00 O HETATM 107 H DAL A 9 2.544 9.484 2.099 1.00 0.00 H HETATM 108 HA DAL A 9 3.642 11.659 0.594 1.00 0.00 H HETATM 109 HB1 DAL A 9 4.456 12.211 3.453 1.00 0.00 H HETATM 110 HB2 DAL A 9 5.540 11.730 2.124 1.00 0.00 H HETATM 111 HB3 DAL A 9 4.627 13.244 2.035 1.00 0.00 H ATOM 112 N ASP A 10 1.079 12.107 0.820 1.00 0.00 N ATOM 113 CA ASP A 10 -0.393 12.250 0.992 1.00 0.00 C ATOM 114 C ASP A 10 -1.019 10.852 1.284 1.00 0.00 C ATOM 115 O ASP A 10 -1.434 10.607 2.420 1.00 0.00 O ATOM 116 CB ASP A 10 -0.968 12.978 -0.260 1.00 0.00 C ATOM 117 CG ASP A 10 -1.281 12.107 -1.484 1.00 0.00 C ATOM 118 OD1 ASP A 10 -0.392 11.899 -2.340 1.00 0.00 O ATOM 119 OD2 ASP A 10 -2.430 11.623 -1.593 1.00 0.00 O ATOM 120 H ASP A 10 1.485 12.102 -0.124 1.00 0.00 H ATOM 121 HA ASP A 10 -0.597 12.893 1.868 1.00 0.00 H ATOM 122 HB2 ASP A 10 -1.909 13.495 0.013 1.00 0.00 H ATOM 123 HB3 ASP A 10 -0.291 13.797 -0.576 1.00 0.00 H ATOM 124 N GLY A 11 -1.111 9.901 0.332 1.00 0.00 N ATOM 125 CA GLY A 11 -2.038 8.736 0.359 1.00 0.00 C ATOM 126 C GLY A 11 -1.325 7.504 -0.275 1.00 0.00 C ATOM 127 O GLY A 11 -0.523 7.691 -1.194 1.00 0.00 O ATOM 128 H GLY A 11 -0.527 10.089 -0.491 1.00 0.00 H ATOM 129 HA2 GLY A 11 -2.364 8.497 1.374 1.00 0.00 H ATOM 130 HA3 GLY A 11 -2.943 8.995 -0.199 1.00 0.00 H HETATM 131 N DSN A 12 -1.593 6.238 0.108 1.00 0.00 N HETATM 132 CA DSN A 12 -2.885 5.755 0.670 1.00 0.00 C HETATM 133 C DSN A 12 -3.224 4.313 0.184 1.00 0.00 C HETATM 134 O DSN A 12 -2.299 3.598 -0.225 1.00 0.00 O HETATM 135 CB DSN A 12 -3.158 6.331 2.087 1.00 0.00 C HETATM 136 OG DSN A 12 -4.013 5.471 2.827 1.00 0.00 O HETATM 137 H DSN A 12 -0.837 5.576 -0.099 1.00 0.00 H HETATM 138 HA DSN A 12 -3.600 6.358 0.065 1.00 0.00 H HETATM 139 HB2 DSN A 12 -2.228 6.530 2.641 1.00 0.00 H HETATM 140 HB3 DSN A 12 -3.661 7.314 2.021 1.00 0.00 H HETATM 141 HG DSN A 12 -3.492 4.690 3.026 1.00 0.00 H HETATM 142 N LME A 13 -4.465 3.794 0.236 1.00 0.00 N HETATM 143 CA LME A 13 -4.903 2.436 -0.153 1.00 0.00 C HETATM 144 CB LME A 13 -6.413 2.136 0.280 1.00 0.00 C HETATM 145 C1 LME A 13 -7.095 3.299 1.118 1.00 0.00 C HETATM 146 CG LME A 13 -7.326 1.847 -0.952 1.00 0.00 C HETATM 147 CD LME A 13 -8.079 0.518 -1.027 1.00 0.00 C HETATM 148 OE1 LME A 13 -7.484 -0.500 -1.455 1.00 0.00 O HETATM 149 OE2 LME A 13 -9.281 0.475 -0.678 1.00 0.00 O HETATM 150 C LME A 13 -4.343 1.896 -1.501 1.00 0.00 C HETATM 151 O LME A 13 -4.041 2.698 -2.388 1.00 0.00 O HETATM 152 H LME A 13 -5.199 4.476 0.480 1.00 0.00 H HETATM 153 HA LME A 13 -4.321 1.814 0.576 1.00 0.00 H HETATM 154 HB LME A 13 -6.340 1.319 0.972 1.00 0.00 H HETATM 155 H11 LME A 13 -8.111 3.069 1.380 1.00 0.00 H HETATM 156 H12 LME A 13 -6.538 3.481 2.050 1.00 0.00 H HETATM 157 H13 LME A 13 -7.072 4.239 0.534 1.00 0.00 H HETATM 158 HG2 LME A 13 -6.757 2.035 -1.900 1.00 0.00 H HETATM 159 HG3 LME A 13 -8.104 2.655 -1.010 1.00 0.00 H HETATM 160 C KYN A 14 -1.978 -0.149 -2.196 1.00 0.00 C HETATM 161 N KYN A 14 -4.242 0.572 -1.747 1.00 0.00 N HETATM 162 C1 KYN A 14 -3.576 -1.831 -4.713 1.00 0.00 C HETATM 163 N1 KYN A 14 -4.201 -2.887 -7.497 1.00 0.00 N HETATM 164 O2 KYN A 14 -3.261 -0.898 -5.456 1.00 0.00 O HETATM 165 CA KYN A 14 -3.399 -0.053 -2.802 1.00 0.00 C HETATM 166 CB KYN A 14 -4.029 -1.387 -3.291 1.00 0.00 C HETATM 167 CG KYN A 14 -3.806 -3.718 -6.530 1.00 0.00 C HETATM 168 CZ KYN A 14 -3.012 -5.607 -4.630 1.00 0.00 C HETATM 169 CD1 KYN A 14 -3.705 -5.072 -6.868 1.00 0.00 C HETATM 170 CD2 KYN A 14 -3.502 -3.283 -5.204 1.00 0.00 C HETATM 171 CE1 KYN A 14 -3.311 -6.005 -5.922 1.00 0.00 C HETATM 172 CE2 KYN A 14 -3.106 -4.268 -4.276 1.00 0.00 C HETATM 173 O KYN A 14 -1.255 0.829 -1.985 1.00 0.00 O HETATM 174 H KYN A 14 -4.733 -0.011 -1.056 1.00 0.00 H HETATM 175 HN1 KYN A 14 -4.281 -1.895 -7.248 1.00 0.00 H HETATM 176 HN1A KYN A 14 -4.398 -3.308 -8.413 1.00 0.00 H HETATM 177 HA KYN A 14 -3.332 0.630 -3.672 1.00 0.00 H HETATM 178 HB KYN A 14 -3.725 -2.196 -2.599 1.00 0.00 H HETATM 179 HBA KYN A 14 -5.126 -1.365 -3.185 1.00 0.00 H HETATM 180 HZ KYN A 14 -2.705 -6.340 -3.898 1.00 0.00 H HETATM 181 HD1 KYN A 14 -3.930 -5.425 -7.867 1.00 0.00 H HETATM 182 HE1 KYN A 14 -3.236 -7.048 -6.193 1.00 0.00 H HETATM 183 HE2 KYN A 14 -2.866 -4.039 -3.254 1.00 0.00 H TER 184 KYN A 14 HETATM 185 C1 DKA A 1 0.866 -9.643 -0.965 1.00 0.00 C HETATM 186 O1 DKA A 1 0.510 -10.012 0.157 1.00 0.00 O HETATM 187 C2 DKA A 1 -0.224 -9.373 -2.046 1.00 0.00 C HETATM 188 C3 DKA A 1 -1.679 -9.275 -1.542 1.00 0.00 C HETATM 189 C4 DKA A 1 -2.724 -9.266 -2.678 1.00 0.00 C HETATM 190 C5 DKA A 1 -2.533 -10.405 -3.692 1.00 0.00 C HETATM 191 C6 DKA A 1 -2.518 -11.791 -3.020 1.00 0.00 C HETATM 192 C7 DKA A 1 -2.596 -12.949 -4.034 1.00 0.00 C HETATM 193 C8 DKA A 1 -2.991 -14.288 -3.381 1.00 0.00 C HETATM 194 C9 DKA A 1 -1.906 -14.832 -2.433 1.00 0.00 C HETATM 195 C10 DKA A 1 -0.891 -15.734 -3.147 1.00 0.00 C HETATM 196 H21 DKA A 1 -0.198 -10.149 -2.831 1.00 0.00 H HETATM 197 H22 DKA A 1 0.041 -8.429 -2.558 1.00 0.00 H HETATM 198 H31 DKA A 1 -1.879 -10.140 -0.881 1.00 0.00 H HETATM 199 H32 DKA A 1 -1.797 -8.386 -0.898 1.00 0.00 H HETATM 200 H41 DKA A 1 -3.745 -9.322 -2.251 1.00 0.00 H HETATM 201 H42 DKA A 1 -2.671 -8.293 -3.201 1.00 0.00 H HETATM 202 H51 DKA A 1 -3.340 -10.374 -4.447 1.00 0.00 H HETATM 203 H52 DKA A 1 -1.589 -10.247 -4.249 1.00 0.00 H HETATM 204 H61 DKA A 1 -1.602 -11.896 -2.407 1.00 0.00 H HETATM 205 H62 DKA A 1 -3.363 -11.863 -2.309 1.00 0.00 H HETATM 206 H71 DKA A 1 -3.322 -12.697 -4.831 1.00 0.00 H HETATM 207 H72 DKA A 1 -1.617 -13.059 -4.540 1.00 0.00 H HETATM 208 H81 DKA A 1 -3.938 -14.159 -2.823 1.00 0.00 H HETATM 209 H82 DKA A 1 -3.203 -15.034 -4.170 1.00 0.00 H HETATM 210 H91 DKA A 1 -2.375 -15.404 -1.610 1.00 0.00 H HETATM 211 H92 DKA A 1 -1.370 -13.995 -1.952 1.00 0.00 H HETATM 212 H101 DKA A 1 0.096 -15.716 -2.647 1.00 0.00 H HETATM 213 H102 DKA A 1 -1.233 -16.784 -3.160 1.00 0.00 H HETATM 214 H103 DKA A 1 -0.740 -15.427 -4.199 1.00 0.00 H