ATOM 1 N TRP A 2 1.890 -9.439 0.544 1.00 0.00 N ATOM 2 CA TRP A 2 3.097 -8.643 0.893 1.00 0.00 C ATOM 3 C TRP A 2 2.755 -7.124 0.926 1.00 0.00 C ATOM 4 O TRP A 2 1.854 -6.705 0.187 1.00 0.00 O ATOM 5 CB TRP A 2 4.352 -9.092 0.061 1.00 0.00 C ATOM 6 CG TRP A 2 4.118 -10.299 -0.901 1.00 0.00 C ATOM 7 CD1 TRP A 2 3.487 -10.174 -2.157 1.00 0.00 C ATOM 8 CD2 TRP A 2 4.330 -11.650 -0.717 1.00 0.00 C ATOM 9 NE1 TRP A 2 3.313 -11.424 -2.776 1.00 0.00 N ATOM 10 CE2 TRP A 2 3.839 -12.327 -1.865 1.00 0.00 C ATOM 11 CE3 TRP A 2 4.854 -12.377 0.381 1.00 0.00 C ATOM 12 CZ2 TRP A 2 3.943 -13.736 -1.953 1.00 0.00 C ATOM 13 CZ3 TRP A 2 4.965 -13.766 0.261 1.00 0.00 C ATOM 14 CH2 TRP A 2 4.538 -14.431 -0.897 1.00 0.00 C ATOM 15 H1 TRP A 2 2.056 -10.404 0.189 1.00 0.00 H ATOM 16 HA TRP A 2 3.398 -8.888 1.921 1.00 0.00 H ATOM 17 HB2 TRP A 2 4.653 -8.266 -0.586 1.00 0.00 H ATOM 18 HB3 TRP A 2 5.162 -9.374 0.730 1.00 0.00 H ATOM 19 HD1 TRP A 2 3.130 -9.231 -2.558 1.00 0.00 H ATOM 20 HE1 TRP A 2 2.849 -11.625 -3.668 1.00 0.00 H ATOM 21 HE3 TRP A 2 5.149 -11.879 1.293 1.00 0.00 H ATOM 22 HZ2 TRP A 2 3.583 -14.266 -2.824 1.00 0.00 H ATOM 23 HZ3 TRP A 2 5.388 -14.335 1.077 1.00 0.00 H ATOM 24 HH2 TRP A 2 4.679 -15.499 -0.978 1.00 0.00 H HETATM 25 N DSG A 3 3.476 -6.226 1.630 1.00 0.00 N HETATM 26 CA DSG A 3 3.656 -4.786 1.309 1.00 0.00 C HETATM 27 C DSG A 3 2.548 -3.787 1.772 1.00 0.00 C HETATM 28 O DSG A 3 1.536 -4.228 2.318 1.00 0.00 O HETATM 29 CB DSG A 3 5.098 -4.379 1.752 1.00 0.00 C HETATM 30 CG DSG A 3 5.544 -4.853 3.152 1.00 0.00 C HETATM 31 OD1 DSG A 3 6.684 -5.276 3.350 1.00 0.00 O HETATM 32 ND2 DSG A 3 4.672 -4.794 4.147 1.00 0.00 N HETATM 33 H DSG A 3 3.871 -6.617 2.499 1.00 0.00 H HETATM 34 HA DSG A 3 3.700 -4.727 0.203 1.00 0.00 H HETATM 35 HB2 DSG A 3 5.840 -4.749 1.021 1.00 0.00 H HETATM 36 HB3 DSG A 3 5.206 -3.277 1.696 1.00 0.00 H HETATM 37 HD21 DSG A 3 3.760 -4.375 3.936 1.00 0.00 H HETATM 38 HD22 DSG A 3 4.997 -5.134 5.059 1.00 0.00 H ATOM 39 N ASP A 4 2.635 -2.466 1.506 1.00 0.00 N ATOM 40 CA ASP A 4 1.818 -1.390 2.132 1.00 0.00 C ATOM 41 C ASP A 4 0.575 -1.099 1.240 1.00 0.00 C ATOM 42 O ASP A 4 -0.541 -1.062 1.765 1.00 0.00 O ATOM 43 CB ASP A 4 2.728 -0.154 2.404 1.00 0.00 C ATOM 44 CG ASP A 4 2.650 0.434 3.819 1.00 0.00 C ATOM 45 OD1 ASP A 4 2.243 -0.278 4.763 1.00 0.00 O ATOM 46 OD2 ASP A 4 2.992 1.624 3.989 1.00 0.00 O ATOM 47 H ASP A 4 3.420 -2.217 0.897 1.00 0.00 H ATOM 48 HA ASP A 4 1.462 -1.753 3.112 1.00 0.00 H ATOM 49 HB2 ASP A 4 3.784 -0.399 2.179 1.00 0.00 H ATOM 50 HB3 ASP A 4 2.477 0.662 1.700 1.00 0.00 H ATOM 51 N THR A 5 0.687 -0.833 -0.078 1.00 0.00 N ATOM 52 CA THR A 5 -0.274 -0.035 -0.891 1.00 0.00 C ATOM 53 C THR A 5 0.208 1.428 -1.116 1.00 0.00 C ATOM 54 O THR A 5 -0.553 2.366 -0.866 1.00 0.00 O ATOM 55 CB THR A 5 -0.855 -0.807 -2.133 1.00 0.00 C ATOM 56 OG1 THR A 5 -2.195 -0.296 -2.413 1.00 0.00 O ATOM 57 CG2 THR A 5 -0.071 -0.636 -3.448 1.00 0.00 C ATOM 58 H THR A 5 1.551 -1.194 -0.499 1.00 0.00 H ATOM 59 HA THR A 5 -1.165 0.022 -0.238 1.00 0.00 H ATOM 60 HB THR A 5 -0.867 -1.891 -1.907 1.00 0.00 H ATOM 61 HG21 THR A 5 0.950 -1.054 -3.372 1.00 0.00 H ATOM 62 HG22 THR A 5 0.026 0.429 -3.729 1.00 0.00 H ATOM 63 HG23 THR A 5 -0.570 -1.156 -4.282 1.00 0.00 H ATOM 64 N GLY A 6 1.400 1.690 -1.696 1.00 0.00 N ATOM 65 CA GLY A 6 2.074 3.015 -1.734 1.00 0.00 C ATOM 66 C GLY A 6 3.000 3.156 -0.489 1.00 0.00 C ATOM 67 O GLY A 6 2.511 3.019 0.635 1.00 0.00 O ATOM 68 H GLY A 6 1.819 0.872 -2.156 1.00 0.00 H ATOM 69 HA2 GLY A 6 2.627 3.120 -2.679 1.00 0.00 H ATOM 70 HA3 GLY A 6 1.339 3.840 -1.718 1.00 0.00 H HETATM 71 N ORN A 7 4.326 3.379 -0.603 1.00 0.00 N HETATM 72 CA ORN A 7 5.185 4.034 0.420 1.00 0.00 C HETATM 73 CB ORN A 7 6.618 4.147 -0.179 1.00 0.00 C HETATM 74 CG ORN A 7 6.720 4.234 -1.725 1.00 0.00 C HETATM 75 CD ORN A 7 5.634 5.127 -2.350 1.00 0.00 C HETATM 76 NE ORN A 7 6.180 5.952 -3.442 1.00 0.00 N HETATM 77 C ORN A 7 4.627 5.426 0.846 1.00 0.00 C HETATM 78 O ORN A 7 4.123 6.152 -0.014 1.00 0.00 O HETATM 79 H ORN A 7 4.743 2.982 -1.450 1.00 0.00 H HETATM 80 HA ORN A 7 5.259 3.359 1.301 1.00 0.00 H HETATM 81 HB2 ORN A 7 7.100 5.058 0.230 1.00 0.00 H HETATM 82 HB3 ORN A 7 7.255 3.307 0.166 1.00 0.00 H HETATM 83 HG2 ORN A 7 7.719 4.622 -2.003 1.00 0.00 H HETATM 84 HG3 ORN A 7 6.667 3.216 -2.153 1.00 0.00 H HETATM 85 HD2 ORN A 7 4.805 4.511 -2.743 1.00 0.00 H HETATM 86 HD3 ORN A 7 5.192 5.792 -1.587 1.00 0.00 H HETATM 87 HE1 ORN A 7 5.457 6.199 -4.127 1.00 0.00 H HETATM 88 HE2 ORN A 7 6.927 5.464 -3.949 1.00 0.00 H HETATM 89 HE3 ORN A 7 6.578 6.831 -3.090 1.00 0.00 H ATOM 90 N ASP A 8 4.767 5.902 2.101 1.00 0.00 N ATOM 91 CA ASP A 8 3.876 6.902 2.749 1.00 0.00 C ATOM 92 C ASP A 8 4.010 8.266 2.005 1.00 0.00 C ATOM 93 O ASP A 8 5.038 8.495 1.367 1.00 0.00 O ATOM 94 CB ASP A 8 4.198 6.958 4.271 1.00 0.00 C ATOM 95 CG ASP A 8 3.235 7.790 5.130 1.00 0.00 C ATOM 96 OD1 ASP A 8 2.077 8.019 4.713 1.00 0.00 O ATOM 97 OD2 ASP A 8 3.637 8.213 6.236 1.00 0.00 O ATOM 98 H ASP A 8 5.522 5.451 2.629 1.00 0.00 H ATOM 99 HA ASP A 8 2.827 6.571 2.648 1.00 0.00 H ATOM 100 HB2 ASP A 8 4.254 5.935 4.690 1.00 0.00 H ATOM 101 HB3 ASP A 8 5.212 7.376 4.428 1.00 0.00 H HETATM 102 N DAL A 9 3.032 9.195 2.032 1.00 0.00 N HETATM 103 CA DAL A 9 3.197 10.646 1.738 1.00 0.00 C HETATM 104 CB DAL A 9 4.221 11.482 2.544 1.00 0.00 C HETATM 105 C DAL A 9 1.844 11.352 1.421 1.00 0.00 C HETATM 106 O DAL A 9 1.451 12.248 2.173 1.00 0.00 O HETATM 107 H DAL A 9 2.104 8.811 2.249 1.00 0.00 H HETATM 108 HA DAL A 9 3.694 10.617 0.750 1.00 0.00 H HETATM 109 HB1 DAL A 9 3.863 11.731 3.553 1.00 0.00 H HETATM 110 HB2 DAL A 9 5.189 10.961 2.646 1.00 0.00 H HETATM 111 HB3 DAL A 9 4.430 12.444 2.045 1.00 0.00 H ATOM 112 N ASP A 10 1.067 10.998 0.372 1.00 0.00 N ATOM 113 CA ASP A 10 -0.410 11.173 0.307 1.00 0.00 C ATOM 114 C ASP A 10 -1.098 9.780 0.453 1.00 0.00 C ATOM 115 O ASP A 10 -1.739 9.550 1.490 1.00 0.00 O ATOM 116 CB ASP A 10 -0.783 11.962 -0.985 1.00 0.00 C ATOM 117 CG ASP A 10 -0.968 13.478 -0.801 1.00 0.00 C ATOM 118 OD1 ASP A 10 -0.335 14.046 0.115 1.00 0.00 O ATOM 119 OD2 ASP A 10 -1.731 14.104 -1.570 1.00 0.00 O ATOM 120 H ASP A 10 1.583 10.513 -0.370 1.00 0.00 H ATOM 121 HA ASP A 10 -0.735 11.791 1.164 1.00 0.00 H ATOM 122 HB2 ASP A 10 -0.012 11.830 -1.768 1.00 0.00 H ATOM 123 HB3 ASP A 10 -1.706 11.548 -1.433 1.00 0.00 H ATOM 124 N GLY A 11 -1.012 8.809 -0.478 1.00 0.00 N ATOM 125 CA GLY A 11 -1.711 7.491 -0.423 1.00 0.00 C ATOM 126 C GLY A 11 -0.980 6.573 0.604 1.00 0.00 C ATOM 127 O GLY A 11 0.166 6.868 0.951 1.00 0.00 O ATOM 128 H GLY A 11 -0.343 9.001 -1.231 1.00 0.00 H ATOM 129 HA2 GLY A 11 -2.761 7.601 -0.143 1.00 0.00 H ATOM 130 HA3 GLY A 11 -1.704 7.049 -1.421 1.00 0.00 H HETATM 131 N DSN A 12 -1.564 5.483 1.142 1.00 0.00 N HETATM 132 CA DSN A 12 -3.029 5.265 1.292 1.00 0.00 C HETATM 133 C DSN A 12 -3.435 3.804 0.931 1.00 0.00 C HETATM 134 O DSN A 12 -2.555 2.936 0.908 1.00 0.00 O HETATM 135 CB DSN A 12 -3.634 6.133 2.431 1.00 0.00 C HETATM 136 OG DSN A 12 -4.840 6.754 2.005 1.00 0.00 O HETATM 137 H DSN A 12 -0.896 4.788 1.494 1.00 0.00 H HETATM 138 HA DSN A 12 -3.405 5.816 0.400 1.00 0.00 H HETATM 139 HB2 DSN A 12 -3.798 5.555 3.353 1.00 0.00 H HETATM 140 HB3 DSN A 12 -2.936 6.938 2.724 1.00 0.00 H HETATM 141 HG DSN A 12 -5.485 6.049 1.927 1.00 0.00 H HETATM 142 N LME A 13 -4.701 3.448 0.643 1.00 0.00 N HETATM 143 CA LME A 13 -5.221 2.102 0.312 1.00 0.00 C HETATM 144 CB LME A 13 -6.678 1.788 0.851 1.00 0.00 C HETATM 145 C1 LME A 13 -6.871 0.275 1.176 1.00 0.00 C HETATM 146 CG LME A 13 -7.117 2.588 2.128 1.00 0.00 C HETATM 147 CD LME A 13 -6.617 3.997 2.481 1.00 0.00 C HETATM 148 OE1 LME A 13 -5.600 4.116 3.201 1.00 0.00 O HETATM 149 OE2 LME A 13 -7.242 4.991 2.049 1.00 0.00 O HETATM 150 C LME A 13 -4.791 1.569 -1.098 1.00 0.00 C HETATM 151 O LME A 13 -4.303 2.346 -1.918 1.00 0.00 O HETATM 152 H LME A 13 -5.359 4.255 0.611 1.00 0.00 H HETATM 153 HA LME A 13 -4.623 1.429 0.968 1.00 0.00 H HETATM 154 HB LME A 13 -7.375 2.052 0.039 1.00 0.00 H HETATM 155 H11 LME A 13 -7.884 0.062 1.563 1.00 0.00 H HETATM 156 H12 LME A 13 -6.748 -0.367 0.290 1.00 0.00 H HETATM 157 H13 LME A 13 -6.151 -0.076 1.937 1.00 0.00 H HETATM 158 HG2 LME A 13 -8.242 2.606 2.162 1.00 0.00 H HETATM 159 HG3 LME A 13 -6.873 1.969 3.024 1.00 0.00 H HETATM 160 C KYN A 14 -3.304 -1.127 -2.298 1.00 0.00 C HETATM 161 N KYN A 14 -5.066 0.295 -1.457 1.00 0.00 N HETATM 162 C1 KYN A 14 -5.480 -1.760 -4.747 1.00 0.00 C HETATM 163 N1 KYN A 14 -4.793 -4.152 -6.488 1.00 0.00 N HETATM 164 O2 KYN A 14 -4.398 -1.401 -5.219 1.00 0.00 O HETATM 165 CA KYN A 14 -4.604 -0.386 -2.695 1.00 0.00 C HETATM 166 CB KYN A 14 -5.736 -1.266 -3.295 1.00 0.00 C HETATM 167 CG KYN A 14 -6.057 -3.737 -6.377 1.00 0.00 C HETATM 168 CZ KYN A 14 -8.752 -3.011 -6.267 1.00 0.00 C HETATM 169 CD1 KYN A 14 -7.019 -4.457 -7.092 1.00 0.00 C HETATM 170 CD2 KYN A 14 -6.442 -2.619 -5.577 1.00 0.00 C HETATM 171 CE1 KYN A 14 -8.356 -4.093 -7.034 1.00 0.00 C HETATM 172 CE2 KYN A 14 -7.812 -2.285 -5.550 1.00 0.00 C HETATM 173 O KYN A 14 -3.274 -2.301 -1.920 1.00 0.00 O HETATM 174 H KYN A 14 -5.630 -0.211 -0.756 1.00 0.00 H HETATM 175 HN1 KYN A 14 -4.088 -3.623 -5.961 1.00 0.00 H HETATM 176 HN1A KYN A 14 -4.628 -4.967 -7.088 1.00 0.00 H HETATM 177 HA KYN A 14 -4.323 0.375 -3.450 1.00 0.00 H HETATM 178 HB KYN A 14 -5.844 -2.175 -2.670 1.00 0.00 H HETATM 179 HBA KYN A 14 -6.715 -0.770 -3.182 1.00 0.00 H HETATM 180 HZ KYN A 14 -9.796 -2.732 -6.226 1.00 0.00 H HETATM 181 HD1 KYN A 14 -6.751 -5.309 -7.703 1.00 0.00 H HETATM 182 HE1 KYN A 14 -9.092 -4.656 -7.589 1.00 0.00 H HETATM 183 HE2 KYN A 14 -8.198 -1.464 -4.972 1.00 0.00 H TER 184 KYN A 14 HETATM 185 C1 DKA A 1 0.595 -9.140 0.752 1.00 0.00 C HETATM 186 O1 DKA A 1 0.300 -8.349 1.652 1.00 0.00 O HETATM 187 C2 DKA A 1 -0.551 -9.872 -0.012 1.00 0.00 C HETATM 188 C3 DKA A 1 -1.995 -9.546 0.420 1.00 0.00 C HETATM 189 C4 DKA A 1 -2.527 -10.467 1.538 1.00 0.00 C HETATM 190 C5 DKA A 1 -3.355 -9.722 2.600 1.00 0.00 C HETATM 191 C6 DKA A 1 -2.547 -9.442 3.882 1.00 0.00 C HETATM 192 C7 DKA A 1 -2.330 -10.704 4.739 1.00 0.00 C HETATM 193 C8 DKA A 1 -3.557 -11.053 5.605 1.00 0.00 C HETATM 194 C9 DKA A 1 -3.540 -10.350 6.974 1.00 0.00 C HETATM 195 C10 DKA A 1 -2.628 -11.048 7.990 1.00 0.00 C HETATM 196 H21 DKA A 1 -0.428 -10.967 0.057 1.00 0.00 H HETATM 197 H22 DKA A 1 -0.436 -9.634 -1.085 1.00 0.00 H HETATM 198 H31 DKA A 1 -2.026 -8.499 0.777 1.00 0.00 H HETATM 199 H32 DKA A 1 -2.668 -9.573 -0.457 1.00 0.00 H HETATM 200 H41 DKA A 1 -3.137 -11.278 1.098 1.00 0.00 H HETATM 201 H42 DKA A 1 -1.670 -10.967 2.024 1.00 0.00 H HETATM 202 H51 DKA A 1 -3.724 -8.766 2.183 1.00 0.00 H HETATM 203 H52 DKA A 1 -4.256 -10.315 2.844 1.00 0.00 H HETATM 204 H61 DKA A 1 -1.566 -9.004 3.613 1.00 0.00 H HETATM 205 H62 DKA A 1 -3.065 -8.670 4.481 1.00 0.00 H HETATM 206 H71 DKA A 1 -2.085 -11.562 4.084 1.00 0.00 H HETATM 207 H72 DKA A 1 -1.447 -10.558 5.390 1.00 0.00 H HETATM 208 H81 DKA A 1 -4.480 -10.781 5.061 1.00 0.00 H HETATM 209 H82 DKA A 1 -3.606 -12.151 5.750 1.00 0.00 H HETATM 210 H91 DKA A 1 -4.565 -10.303 7.387 1.00 0.00 H HETATM 211 H92 DKA A 1 -3.213 -9.300 6.856 1.00 0.00 H HETATM 212 H101 DKA A 1 -1.726 -11.471 7.509 1.00 0.00 H HETATM 213 H102 DKA A 1 -2.283 -10.340 8.766 1.00 0.00 H HETATM 214 H103 DKA A 1 -3.149 -11.874 8.510 1.00 0.00 H