ATOM 1 N TRP A 2 -0.097 -8.973 0.479 1.00 0.00 N ATOM 2 CA TRP A 2 1.294 -8.936 -0.053 1.00 0.00 C ATOM 3 C TRP A 2 1.803 -7.463 -0.061 1.00 0.00 C ATOM 4 O TRP A 2 0.977 -6.548 -0.039 1.00 0.00 O ATOM 5 CB TRP A 2 1.473 -9.760 -1.368 1.00 0.00 C ATOM 6 CG TRP A 2 2.560 -9.223 -2.324 1.00 0.00 C ATOM 7 CD1 TRP A 2 2.406 -8.060 -3.114 1.00 0.00 C ATOM 8 CD2 TRP A 2 3.836 -9.684 -2.592 1.00 0.00 C ATOM 9 NE1 TRP A 2 3.552 -7.792 -3.882 1.00 0.00 N ATOM 10 CE2 TRP A 2 4.428 -8.808 -3.542 1.00 0.00 C ATOM 11 CE3 TRP A 2 4.581 -10.762 -2.053 1.00 0.00 C ATOM 12 CZ2 TRP A 2 5.746 -9.043 -4.003 1.00 0.00 C ATOM 13 CZ3 TRP A 2 5.867 -10.997 -2.555 1.00 0.00 C ATOM 14 CH2 TRP A 2 6.447 -10.139 -3.499 1.00 0.00 C ATOM 15 H1 TRP A 2 -0.883 -9.202 -0.139 1.00 0.00 H ATOM 16 HA TRP A 2 1.975 -9.454 0.643 1.00 0.00 H ATOM 17 HB2 TRP A 2 1.698 -10.813 -1.141 1.00 0.00 H ATOM 18 HB3 TRP A 2 0.523 -9.796 -1.923 1.00 0.00 H ATOM 19 HD1 TRP A 2 1.536 -7.418 -3.084 1.00 0.00 H ATOM 20 HE1 TRP A 2 3.720 -6.994 -4.505 1.00 0.00 H ATOM 21 HE3 TRP A 2 4.186 -11.387 -1.267 1.00 0.00 H ATOM 22 HZ2 TRP A 2 6.209 -8.381 -4.721 1.00 0.00 H ATOM 23 HZ3 TRP A 2 6.423 -11.857 -2.208 1.00 0.00 H ATOM 24 HH2 TRP A 2 7.456 -10.326 -3.836 1.00 0.00 H HETATM 25 N DSG A 3 3.114 -7.158 -0.153 1.00 0.00 N HETATM 26 CA DSG A 3 3.753 -5.924 0.377 1.00 0.00 C HETATM 27 C DSG A 3 3.134 -5.279 1.657 1.00 0.00 C HETATM 28 O DSG A 3 2.421 -5.959 2.395 1.00 0.00 O HETATM 29 CB DSG A 3 5.289 -6.189 0.479 1.00 0.00 C HETATM 30 CG DSG A 3 5.705 -7.590 0.979 1.00 0.00 C HETATM 31 OD1 DSG A 3 6.781 -8.092 0.655 1.00 0.00 O HETATM 32 ND2 DSG A 3 4.869 -8.252 1.763 1.00 0.00 N HETATM 33 H DSG A 3 3.687 -7.919 -0.537 1.00 0.00 H HETATM 34 HA DSG A 3 3.674 -5.171 -0.432 1.00 0.00 H HETATM 35 HB2 DSG A 3 5.771 -6.027 -0.503 1.00 0.00 H HETATM 36 HB3 DSG A 3 5.757 -5.423 1.130 1.00 0.00 H HETATM 37 HD21 DSG A 3 4.021 -7.755 2.057 1.00 0.00 H HETATM 38 HD22 DSG A 3 5.138 -9.210 2.011 1.00 0.00 H ATOM 39 N ASP A 4 3.473 -4.021 2.029 1.00 0.00 N ATOM 40 CA ASP A 4 2.755 -3.178 3.024 1.00 0.00 C ATOM 41 C ASP A 4 1.500 -2.546 2.349 1.00 0.00 C ATOM 42 O ASP A 4 0.395 -2.723 2.864 1.00 0.00 O ATOM 43 CB ASP A 4 3.751 -2.150 3.641 1.00 0.00 C ATOM 44 CG ASP A 4 3.717 -2.026 5.171 1.00 0.00 C ATOM 45 OD1 ASP A 4 2.642 -2.275 5.764 1.00 0.00 O ATOM 46 OD2 ASP A 4 4.752 -1.693 5.788 1.00 0.00 O ATOM 47 H ASP A 4 4.365 -3.711 1.632 1.00 0.00 H ATOM 48 HA ASP A 4 2.409 -3.827 3.849 1.00 0.00 H ATOM 49 HB2 ASP A 4 4.787 -2.376 3.327 1.00 0.00 H ATOM 50 HB3 ASP A 4 3.551 -1.140 3.233 1.00 0.00 H ATOM 51 N THR A 5 1.576 -1.912 1.161 1.00 0.00 N ATOM 52 CA THR A 5 0.489 -1.132 0.509 1.00 0.00 C ATOM 53 C THR A 5 0.557 0.389 0.852 1.00 0.00 C ATOM 54 O THR A 5 0.059 0.795 1.905 1.00 0.00 O ATOM 55 CB THR A 5 0.243 -1.513 -0.996 1.00 0.00 C ATOM 56 OG1 THR A 5 -0.478 -0.420 -1.642 1.00 0.00 O ATOM 57 CG2 THR A 5 1.520 -1.711 -1.839 1.00 0.00 C ATOM 58 H THR A 5 2.521 -1.912 0.748 1.00 0.00 H ATOM 59 HA THR A 5 -0.427 -1.516 0.996 1.00 0.00 H ATOM 60 HB THR A 5 -0.317 -2.465 -1.055 1.00 0.00 H ATOM 61 HG21 THR A 5 2.121 -2.566 -1.480 1.00 0.00 H ATOM 62 HG22 THR A 5 2.167 -0.815 -1.822 1.00 0.00 H ATOM 63 HG23 THR A 5 1.270 -1.918 -2.896 1.00 0.00 H ATOM 64 N GLY A 6 1.184 1.265 0.035 1.00 0.00 N ATOM 65 CA GLY A 6 1.084 2.748 0.119 1.00 0.00 C ATOM 66 C GLY A 6 2.410 3.319 0.706 1.00 0.00 C ATOM 67 O GLY A 6 2.437 3.659 1.892 1.00 0.00 O ATOM 68 H GLY A 6 1.678 0.814 -0.749 1.00 0.00 H ATOM 69 HA2 GLY A 6 0.858 3.160 -0.876 1.00 0.00 H ATOM 70 HA3 GLY A 6 0.250 3.058 0.772 1.00 0.00 H HETATM 71 N ORN A 7 3.534 3.422 -0.031 1.00 0.00 N HETATM 72 CA ORN A 7 4.710 4.276 0.283 1.00 0.00 C HETATM 73 CB ORN A 7 5.629 4.279 -0.976 1.00 0.00 C HETATM 74 CG ORN A 7 4.927 4.027 -2.339 1.00 0.00 C HETATM 75 CD ORN A 7 5.022 2.559 -2.790 1.00 0.00 C HETATM 76 NE ORN A 7 3.746 2.086 -3.358 1.00 0.00 N HETATM 77 C ORN A 7 4.291 5.723 0.692 1.00 0.00 C HETATM 78 O ORN A 7 3.281 6.214 0.183 1.00 0.00 O HETATM 79 H ORN A 7 3.537 2.826 -0.867 1.00 0.00 H HETATM 80 HA ORN A 7 5.289 3.793 1.099 1.00 0.00 H HETATM 81 HB2 ORN A 7 6.130 5.264 -1.045 1.00 0.00 H HETATM 82 HB3 ORN A 7 6.452 3.545 -0.865 1.00 0.00 H HETATM 83 HG2 ORN A 7 3.865 4.320 -2.261 1.00 0.00 H HETATM 84 HG3 ORN A 7 5.369 4.688 -3.104 1.00 0.00 H HETATM 85 HD2 ORN A 7 5.823 2.438 -3.544 1.00 0.00 H HETATM 86 HD3 ORN A 7 5.298 1.909 -1.939 1.00 0.00 H HETATM 87 HE1 ORN A 7 3.898 1.400 -4.106 1.00 0.00 H HETATM 88 HE2 ORN A 7 3.201 2.857 -3.756 1.00 0.00 H HETATM 89 HE3 ORN A 7 3.161 1.636 -2.645 1.00 0.00 H ATOM 90 N ASP A 8 5.034 6.471 1.532 1.00 0.00 N ATOM 91 CA ASP A 8 4.592 7.729 2.191 1.00 0.00 C ATOM 92 C ASP A 8 4.459 8.851 1.115 1.00 0.00 C ATOM 93 O ASP A 8 5.225 8.840 0.149 1.00 0.00 O ATOM 94 CB ASP A 8 5.569 8.057 3.359 1.00 0.00 C ATOM 95 CG ASP A 8 5.216 9.289 4.204 1.00 0.00 C ATOM 96 OD1 ASP A 8 4.023 9.503 4.516 1.00 0.00 O ATOM 97 OD2 ASP A 8 6.142 10.051 4.558 1.00 0.00 O ATOM 98 H ASP A 8 5.953 6.066 1.742 1.00 0.00 H ATOM 99 HA ASP A 8 3.592 7.575 2.634 1.00 0.00 H ATOM 100 HB2 ASP A 8 5.672 7.182 4.029 1.00 0.00 H ATOM 101 HB3 ASP A 8 6.590 8.222 2.963 1.00 0.00 H HETATM 102 N DAL A 9 3.585 9.870 1.245 1.00 0.00 N HETATM 103 CA DAL A 9 3.153 10.782 0.150 1.00 0.00 C HETATM 104 CB DAL A 9 4.149 11.809 -0.432 1.00 0.00 C HETATM 105 C DAL A 9 1.688 11.285 0.335 1.00 0.00 C HETATM 106 O DAL A 9 1.496 12.363 0.902 1.00 0.00 O HETATM 107 H DAL A 9 3.237 9.999 2.201 1.00 0.00 H HETATM 108 HA DAL A 9 3.064 10.080 -0.702 1.00 0.00 H HETATM 109 HB1 DAL A 9 4.297 12.678 0.225 1.00 0.00 H HETATM 110 HB2 DAL A 9 5.138 11.360 -0.629 1.00 0.00 H HETATM 111 HB3 DAL A 9 3.789 12.213 -1.396 1.00 0.00 H ATOM 112 N ASP A 10 0.630 10.598 -0.142 1.00 0.00 N ATOM 113 CA ASP A 10 -0.744 11.142 -0.316 1.00 0.00 C ATOM 114 C ASP A 10 -1.710 10.427 0.677 1.00 0.00 C ATOM 115 O ASP A 10 -2.058 11.030 1.700 1.00 0.00 O ATOM 116 CB ASP A 10 -1.146 11.030 -1.817 1.00 0.00 C ATOM 117 CG ASP A 10 -0.900 12.284 -2.669 1.00 0.00 C ATOM 118 OD1 ASP A 10 -0.607 13.364 -2.111 1.00 0.00 O ATOM 119 OD2 ASP A 10 -0.995 12.186 -3.911 1.00 0.00 O ATOM 120 H ASP A 10 0.830 9.611 -0.331 1.00 0.00 H ATOM 121 HA ASP A 10 -0.743 12.217 -0.057 1.00 0.00 H ATOM 122 HB2 ASP A 10 -0.593 10.202 -2.298 1.00 0.00 H ATOM 123 HB3 ASP A 10 -2.210 10.743 -1.908 1.00 0.00 H ATOM 124 N GLY A 11 -2.168 9.174 0.478 1.00 0.00 N ATOM 125 CA GLY A 11 -3.379 8.590 1.121 1.00 0.00 C ATOM 126 C GLY A 11 -2.934 7.505 2.148 1.00 0.00 C ATOM 127 O GLY A 11 -1.956 7.734 2.865 1.00 0.00 O ATOM 128 H GLY A 11 -1.546 8.586 -0.088 1.00 0.00 H ATOM 129 HA2 GLY A 11 -3.980 9.351 1.621 1.00 0.00 H ATOM 130 HA3 GLY A 11 -4.014 8.157 0.344 1.00 0.00 H HETATM 131 N DSN A 12 -3.619 6.358 2.328 1.00 0.00 N HETATM 132 CA DSN A 12 -4.501 5.701 1.326 1.00 0.00 C HETATM 133 C DSN A 12 -3.791 4.498 0.628 1.00 0.00 C HETATM 134 O DSN A 12 -2.782 4.022 1.165 1.00 0.00 O HETATM 135 CB DSN A 12 -6.000 5.771 1.734 1.00 0.00 C HETATM 136 OG DSN A 12 -6.833 5.815 0.584 1.00 0.00 O HETATM 137 H DSN A 12 -3.495 5.946 3.261 1.00 0.00 H HETATM 138 HA DSN A 12 -4.478 6.459 0.510 1.00 0.00 H HETATM 139 HB2 DSN A 12 -6.290 4.943 2.396 1.00 0.00 H HETATM 140 HB3 DSN A 12 -6.204 6.686 2.321 1.00 0.00 H HETATM 141 HG DSN A 12 -6.777 4.943 0.184 1.00 0.00 H HETATM 142 N LME A 13 -4.224 3.958 -0.527 1.00 0.00 N HETATM 143 CA LME A 13 -4.077 2.568 -1.019 1.00 0.00 C HETATM 144 CB LME A 13 -5.435 1.761 -1.184 1.00 0.00 C HETATM 145 C1 LME A 13 -5.261 0.229 -0.977 1.00 0.00 C HETATM 146 CG LME A 13 -6.585 2.228 -0.230 1.00 0.00 C HETATM 147 CD LME A 13 -7.573 1.134 0.226 1.00 0.00 C HETATM 148 OE1 LME A 13 -7.293 0.453 1.235 1.00 0.00 O HETATM 149 OE2 LME A 13 -8.638 0.974 -0.413 1.00 0.00 O HETATM 150 C LME A 13 -2.933 2.367 -2.072 1.00 0.00 C HETATM 151 O LME A 13 -2.400 3.348 -2.590 1.00 0.00 O HETATM 152 H LME A 13 -4.824 4.606 -1.082 1.00 0.00 H HETATM 153 HA LME A 13 -3.641 2.029 -0.152 1.00 0.00 H HETATM 154 HB LME A 13 -5.773 1.930 -2.220 1.00 0.00 H HETATM 155 H11 LME A 13 -6.209 -0.317 -1.082 1.00 0.00 H HETATM 156 H12 LME A 13 -4.569 -0.217 -1.712 1.00 0.00 H HETATM 157 H13 LME A 13 -4.856 0.001 0.028 1.00 0.00 H HETATM 158 HG2 LME A 13 -6.189 2.747 0.664 1.00 0.00 H HETATM 159 HG3 LME A 13 -7.199 2.985 -0.745 1.00 0.00 H HETATM 160 C KYN A 14 -0.923 -0.547 -2.954 1.00 0.00 C HETATM 161 N KYN A 14 -2.612 1.119 -2.489 1.00 0.00 N HETATM 162 C1 KYN A 14 -1.038 0.881 -6.030 1.00 0.00 C HETATM 163 N1 KYN A 14 0.331 -0.801 -8.156 1.00 0.00 N HETATM 164 O2 KYN A 14 0.116 0.995 -5.607 1.00 0.00 O HETATM 165 CA KYN A 14 -1.544 0.775 -3.466 1.00 0.00 C HETATM 166 CB KYN A 14 -2.112 0.749 -4.914 1.00 0.00 C HETATM 167 CG KYN A 14 -0.627 0.066 -8.492 1.00 0.00 C HETATM 168 CZ KYN A 14 -2.616 1.814 -9.380 1.00 0.00 C HETATM 169 CD1 KYN A 14 -0.950 0.148 -9.850 1.00 0.00 C HETATM 170 CD2 KYN A 14 -1.311 0.880 -7.539 1.00 0.00 C HETATM 171 CE1 KYN A 14 -1.937 1.017 -10.285 1.00 0.00 C HETATM 172 CE2 KYN A 14 -2.308 1.748 -8.029 1.00 0.00 C HETATM 173 O KYN A 14 -0.836 -1.574 -3.633 1.00 0.00 O HETATM 174 H KYN A 14 -3.254 0.396 -2.130 1.00 0.00 H HETATM 175 HN1 KYN A 14 0.565 -0.863 -7.158 1.00 0.00 H HETATM 176 HN1A KYN A 14 0.754 -1.339 -8.920 1.00 0.00 H HETATM 177 HA KYN A 14 -0.748 1.544 -3.424 1.00 0.00 H HETATM 178 HB KYN A 14 -2.617 -0.224 -5.076 1.00 0.00 H HETATM 179 HBA KYN A 14 -2.934 1.476 -5.022 1.00 0.00 H HETATM 180 HZ KYN A 14 -3.386 2.489 -9.725 1.00 0.00 H HETATM 181 HD1 KYN A 14 -0.445 -0.461 -10.591 1.00 0.00 H HETATM 182 HE1 KYN A 14 -2.180 1.074 -11.337 1.00 0.00 H HETATM 183 HE2 KYN A 14 -2.883 2.391 -7.387 1.00 0.00 H TER 184 KYN A 14 HETATM 185 C1 DKA A 1 -0.441 -8.853 1.777 1.00 0.00 C HETATM 186 O1 DKA A 1 0.271 -8.178 2.524 1.00 0.00 O HETATM 187 C2 DKA A 1 -1.759 -9.461 2.344 1.00 0.00 C HETATM 188 C3 DKA A 1 -1.911 -9.455 3.880 1.00 0.00 C HETATM 189 C4 DKA A 1 -0.611 -9.814 4.628 1.00 0.00 C HETATM 190 C5 DKA A 1 -0.853 -10.368 6.043 1.00 0.00 C HETATM 191 C6 DKA A 1 -0.734 -9.279 7.126 1.00 0.00 C HETATM 192 C7 DKA A 1 0.713 -9.082 7.619 1.00 0.00 C HETATM 193 C8 DKA A 1 1.105 -10.083 8.723 1.00 0.00 C HETATM 194 C9 DKA A 1 0.895 -9.521 10.142 1.00 0.00 C HETATM 195 C10 DKA A 1 2.012 -9.921 11.113 1.00 0.00 C HETATM 196 H21 DKA A 1 -1.887 -10.504 2.004 1.00 0.00 H HETATM 197 H22 DKA A 1 -2.603 -8.902 1.901 1.00 0.00 H HETATM 198 H31 DKA A 1 -2.235 -8.445 4.195 1.00 0.00 H HETATM 199 H32 DKA A 1 -2.731 -10.132 4.182 1.00 0.00 H HETATM 200 H41 DKA A 1 -0.029 -10.551 4.041 1.00 0.00 H HETATM 201 H42 DKA A 1 0.026 -8.912 4.691 1.00 0.00 H HETATM 202 H51 DKA A 1 -1.859 -10.830 6.095 1.00 0.00 H HETATM 203 H52 DKA A 1 -0.133 -11.184 6.247 1.00 0.00 H HETATM 204 H61 DKA A 1 -1.125 -8.320 6.732 1.00 0.00 H HETATM 205 H62 DKA A 1 -1.387 -9.539 7.981 1.00 0.00 H HETATM 206 H71 DKA A 1 1.411 -9.179 6.768 1.00 0.00 H HETATM 207 H72 DKA A 1 0.834 -8.048 7.997 1.00 0.00 H HETATM 208 H81 DKA A 1 0.518 -11.014 8.603 1.00 0.00 H HETATM 209 H82 DKA A 1 2.165 -10.376 8.595 1.00 0.00 H HETATM 210 H91 DKA A 1 -0.075 -9.871 10.545 1.00 0.00 H HETATM 211 H92 DKA A 1 0.825 -8.418 10.104 1.00 0.00 H HETATM 212 H101 DKA A 1 2.992 -9.988 10.605 1.00 0.00 H HETATM 213 H102 DKA A 1 2.114 -9.180 11.926 1.00 0.00 H HETATM 214 H103 DKA A 1 1.811 -10.900 11.586 1.00 0.00 H