ATOM 1 N TRP A 2 5.423 -7.370 1.607 1.00 0.00 N ATOM 2 CA TRP A 2 6.083 -6.138 1.097 1.00 0.00 C ATOM 3 C TRP A 2 5.141 -5.424 0.083 1.00 0.00 C ATOM 4 O TRP A 2 4.337 -6.113 -0.560 1.00 0.00 O ATOM 5 CB TRP A 2 7.581 -6.389 0.679 1.00 0.00 C ATOM 6 CG TRP A 2 8.053 -7.865 0.818 1.00 0.00 C ATOM 7 CD1 TRP A 2 9.222 -8.335 1.450 1.00 0.00 C ATOM 8 CD2 TRP A 2 7.414 -8.989 0.323 1.00 0.00 C ATOM 9 NE1 TRP A 2 9.342 -9.734 1.338 1.00 0.00 N ATOM 10 CE2 TRP A 2 8.212 -10.119 0.634 1.00 0.00 C ATOM 11 CE3 TRP A 2 6.150 -9.142 -0.316 1.00 0.00 C ATOM 12 CZ2 TRP A 2 7.777 -11.412 0.250 1.00 0.00 C ATOM 13 CZ3 TRP A 2 5.770 -10.418 -0.727 1.00 0.00 C ATOM 14 CH2 TRP A 2 6.578 -11.534 -0.462 1.00 0.00 C ATOM 15 H1 TRP A 2 6.032 -8.140 1.920 1.00 0.00 H ATOM 16 HA TRP A 2 6.192 -5.430 1.928 1.00 0.00 H ATOM 17 HB2 TRP A 2 7.678 -6.153 -0.382 1.00 0.00 H ATOM 18 HB3 TRP A 2 8.249 -5.770 1.282 1.00 0.00 H ATOM 19 HD1 TRP A 2 9.893 -7.694 2.003 1.00 0.00 H ATOM 20 HE1 TRP A 2 10.069 -10.334 1.741 1.00 0.00 H ATOM 21 HE3 TRP A 2 5.504 -8.266 -0.436 1.00 0.00 H ATOM 22 HZ2 TRP A 2 8.365 -12.287 0.486 1.00 0.00 H ATOM 23 HZ3 TRP A 2 4.834 -10.543 -1.248 1.00 0.00 H ATOM 24 HH2 TRP A 2 6.271 -12.506 -0.818 1.00 0.00 H HETATM 25 N DSG A 3 5.204 -4.100 -0.184 1.00 0.00 N HETATM 26 CA DSG A 3 4.083 -3.274 -0.718 1.00 0.00 C HETATM 27 C DSG A 3 3.145 -2.554 0.308 1.00 0.00 C HETATM 28 O DSG A 3 3.012 -1.330 0.265 1.00 0.00 O HETATM 29 CB DSG A 3 4.669 -2.334 -1.813 1.00 0.00 C HETATM 30 CG DSG A 3 5.901 -1.497 -1.396 1.00 0.00 C HETATM 31 OD1 DSG A 3 6.739 -1.131 -2.219 1.00 0.00 O HETATM 32 ND2 DSG A 3 6.041 -1.183 -0.117 1.00 0.00 N HETATM 33 H DSG A 3 6.147 -3.709 -0.089 1.00 0.00 H HETATM 34 HA DSG A 3 3.439 -3.982 -1.276 1.00 0.00 H HETATM 35 HB2 DSG A 3 4.949 -2.915 -2.712 1.00 0.00 H HETATM 36 HB3 DSG A 3 3.878 -1.649 -2.182 1.00 0.00 H HETATM 37 HD21 DSG A 3 5.275 -1.447 0.513 1.00 0.00 H HETATM 38 HD22 DSG A 3 6.908 -0.702 0.143 1.00 0.00 H ATOM 39 N ASP A 4 2.377 -3.279 1.156 1.00 0.00 N ATOM 40 CA ASP A 4 1.113 -2.845 1.810 1.00 0.00 C ATOM 41 C ASP A 4 0.323 -1.928 0.824 1.00 0.00 C ATOM 42 O ASP A 4 0.389 -2.176 -0.384 1.00 0.00 O ATOM 43 CB ASP A 4 1.477 -2.222 3.196 1.00 0.00 C ATOM 44 CG ASP A 4 0.413 -1.426 3.962 1.00 0.00 C ATOM 45 OD1 ASP A 4 -0.657 -1.999 4.261 1.00 0.00 O ATOM 46 OD2 ASP A 4 0.637 -0.237 4.277 1.00 0.00 O ATOM 47 H ASP A 4 2.711 -4.244 1.269 1.00 0.00 H ATOM 48 HA ASP A 4 0.479 -3.727 2.014 1.00 0.00 H ATOM 49 HB2 ASP A 4 1.827 -3.043 3.872 1.00 0.00 H ATOM 50 HB3 ASP A 4 2.379 -1.586 3.087 1.00 0.00 H ATOM 51 N THR A 5 -0.321 -0.815 1.227 1.00 0.00 N ATOM 52 CA THR A 5 -1.527 -0.214 0.588 1.00 0.00 C ATOM 53 C THR A 5 -1.251 1.209 0.020 1.00 0.00 C ATOM 54 O THR A 5 -2.043 2.124 0.251 1.00 0.00 O ATOM 55 CB THR A 5 -2.289 -1.245 -0.321 1.00 0.00 C ATOM 56 OG1 THR A 5 -3.705 -0.909 -0.396 1.00 0.00 O ATOM 57 CG2 THR A 5 -1.819 -1.291 -1.795 1.00 0.00 C ATOM 58 H THR A 5 0.152 -0.317 1.980 1.00 0.00 H ATOM 59 HA THR A 5 -2.231 -0.089 1.428 1.00 0.00 H ATOM 60 HB THR A 5 -2.123 -2.256 0.102 1.00 0.00 H ATOM 61 HG21 THR A 5 -0.773 -1.633 -1.879 1.00 0.00 H ATOM 62 HG22 THR A 5 -1.890 -0.300 -2.277 1.00 0.00 H ATOM 63 HG23 THR A 5 -2.436 -1.994 -2.384 1.00 0.00 H ATOM 64 N GLY A 6 -0.197 1.434 -0.800 1.00 0.00 N ATOM 65 CA GLY A 6 0.375 2.765 -1.138 1.00 0.00 C ATOM 66 C GLY A 6 1.622 3.034 -0.243 1.00 0.00 C ATOM 67 O GLY A 6 1.537 2.824 0.969 1.00 0.00 O ATOM 68 H GLY A 6 0.267 0.567 -1.118 1.00 0.00 H ATOM 69 HA2 GLY A 6 0.616 2.801 -2.211 1.00 0.00 H ATOM 70 HA3 GLY A 6 -0.360 3.573 -0.967 1.00 0.00 H HETATM 71 N ORN A 7 2.745 3.599 -0.731 1.00 0.00 N HETATM 72 CA ORN A 7 4.067 3.642 -0.050 1.00 0.00 C HETATM 73 CB ORN A 7 5.146 3.827 -1.160 1.00 0.00 C HETATM 74 CG ORN A 7 4.832 3.214 -2.548 1.00 0.00 C HETATM 75 CD ORN A 7 4.707 4.271 -3.658 1.00 0.00 C HETATM 76 NE ORN A 7 3.476 5.067 -3.515 1.00 0.00 N HETATM 77 C ORN A 7 4.136 4.772 1.021 1.00 0.00 C HETATM 78 O ORN A 7 3.510 5.816 0.826 1.00 0.00 O HETATM 79 H ORN A 7 2.661 3.928 -1.700 1.00 0.00 H HETATM 80 HA ORN A 7 4.265 2.652 0.409 1.00 0.00 H HETATM 81 HB2 ORN A 7 6.092 3.372 -0.807 1.00 0.00 H HETATM 82 HB3 ORN A 7 5.370 4.904 -1.287 1.00 0.00 H HETATM 83 HG2 ORN A 7 5.626 2.491 -2.818 1.00 0.00 H HETATM 84 HG3 ORN A 7 3.901 2.621 -2.485 1.00 0.00 H HETATM 85 HD2 ORN A 7 5.582 4.949 -3.647 1.00 0.00 H HETATM 86 HD3 ORN A 7 4.706 3.787 -4.654 1.00 0.00 H HETATM 87 HE1 ORN A 7 2.639 4.474 -3.522 1.00 0.00 H HETATM 88 HE2 ORN A 7 3.372 5.746 -4.279 1.00 0.00 H HETATM 89 HE3 ORN A 7 3.467 5.595 -2.636 1.00 0.00 H ATOM 90 N ASP A 8 4.922 4.676 2.115 1.00 0.00 N ATOM 91 CA ASP A 8 4.848 5.561 3.309 1.00 0.00 C ATOM 92 C ASP A 8 5.019 7.044 2.859 1.00 0.00 C ATOM 93 O ASP A 8 6.155 7.474 2.645 1.00 0.00 O ATOM 94 CB ASP A 8 5.886 5.074 4.363 1.00 0.00 C ATOM 95 CG ASP A 8 6.009 5.933 5.629 1.00 0.00 C ATOM 96 OD1 ASP A 8 5.286 5.684 6.618 1.00 0.00 O ATOM 97 OD2 ASP A 8 6.837 6.871 5.633 1.00 0.00 O ATOM 98 H ASP A 8 5.605 3.913 2.070 1.00 0.00 H ATOM 99 HA ASP A 8 3.848 5.468 3.768 1.00 0.00 H ATOM 100 HB2 ASP A 8 5.633 4.048 4.695 1.00 0.00 H ATOM 101 HB3 ASP A 8 6.885 4.977 3.900 1.00 0.00 H HETATM 102 N DAL A 9 3.969 7.884 2.744 1.00 0.00 N HETATM 103 CA DAL A 9 4.059 9.355 2.548 1.00 0.00 C HETATM 104 CB DAL A 9 4.766 10.231 3.608 1.00 0.00 C HETATM 105 C DAL A 9 2.759 9.956 1.928 1.00 0.00 C HETATM 106 O DAL A 9 2.126 10.791 2.578 1.00 0.00 O HETATM 107 H DAL A 9 3.062 7.432 2.902 1.00 0.00 H HETATM 108 HA DAL A 9 4.782 9.426 1.712 1.00 0.00 H HETATM 109 HB1 DAL A 9 4.151 10.393 4.505 1.00 0.00 H HETATM 110 HB2 DAL A 9 5.728 9.793 3.929 1.00 0.00 H HETATM 111 HB3 DAL A 9 4.997 11.234 3.207 1.00 0.00 H ATOM 112 N ASP A 10 2.351 9.645 0.683 1.00 0.00 N ATOM 113 CA ASP A 10 1.186 10.246 -0.020 1.00 0.00 C ATOM 114 C ASP A 10 0.160 9.125 -0.366 1.00 0.00 C ATOM 115 O ASP A 10 -0.848 9.000 0.331 1.00 0.00 O ATOM 116 CB ASP A 10 1.702 11.069 -1.240 1.00 0.00 C ATOM 117 CG ASP A 10 0.947 10.888 -2.565 1.00 0.00 C ATOM 118 OD1 ASP A 10 -0.247 11.248 -2.650 1.00 0.00 O ATOM 119 OD2 ASP A 10 1.561 10.396 -3.537 1.00 0.00 O ATOM 120 H ASP A 10 2.962 8.975 0.201 1.00 0.00 H ATOM 121 HA ASP A 10 0.681 10.957 0.660 1.00 0.00 H ATOM 122 HB2 ASP A 10 1.696 12.150 -0.985 1.00 0.00 H ATOM 123 HB3 ASP A 10 2.770 10.849 -1.439 1.00 0.00 H ATOM 124 N GLY A 11 0.365 8.265 -1.386 1.00 0.00 N ATOM 125 CA GLY A 11 -0.223 6.904 -1.502 1.00 0.00 C ATOM 126 C GLY A 11 -1.774 7.023 -1.609 1.00 0.00 C ATOM 127 O GLY A 11 -2.259 7.552 -2.612 1.00 0.00 O ATOM 128 H GLY A 11 1.070 8.592 -2.058 1.00 0.00 H ATOM 129 HA2 GLY A 11 0.168 6.361 -2.367 1.00 0.00 H ATOM 130 HA3 GLY A 11 0.064 6.320 -0.622 1.00 0.00 H HETATM 131 N DSN A 12 -2.600 6.462 -0.703 1.00 0.00 N HETATM 132 CA DSN A 12 -4.058 6.225 -0.895 1.00 0.00 C HETATM 133 C DSN A 12 -4.496 4.831 -0.347 1.00 0.00 C HETATM 134 O DSN A 12 -3.800 4.303 0.531 1.00 0.00 O HETATM 135 CB DSN A 12 -4.878 7.540 -0.811 1.00 0.00 C HETATM 136 OG DSN A 12 -4.808 8.258 -2.036 1.00 0.00 O HETATM 137 H DSN A 12 -2.148 6.245 0.193 1.00 0.00 H HETATM 138 HA DSN A 12 -4.084 6.039 -1.993 1.00 0.00 H HETATM 139 HB2 DSN A 12 -5.925 7.362 -0.524 1.00 0.00 H HETATM 140 HB3 DSN A 12 -4.479 8.203 -0.021 1.00 0.00 H HETATM 141 HG DSN A 12 -5.316 7.746 -2.671 1.00 0.00 H HETATM 142 N LME A 13 -5.643 4.227 -0.706 1.00 0.00 N HETATM 143 CA LME A 13 -6.370 3.157 0.016 1.00 0.00 C HETATM 144 CB LME A 13 -7.947 3.231 -0.113 1.00 0.00 C HETATM 145 C1 LME A 13 -8.670 2.735 1.172 1.00 0.00 C HETATM 146 CG LME A 13 -8.498 4.660 -0.446 1.00 0.00 C HETATM 147 CD LME A 13 -8.232 5.265 -1.836 1.00 0.00 C HETATM 148 OE1 LME A 13 -7.755 6.419 -1.912 1.00 0.00 O HETATM 149 OE2 LME A 13 -8.478 4.578 -2.850 1.00 0.00 O HETATM 150 C LME A 13 -5.666 1.755 0.020 1.00 0.00 C HETATM 151 O LME A 13 -4.588 1.619 -0.558 1.00 0.00 O HETATM 152 H LME A 13 -6.074 4.618 -1.571 1.00 0.00 H HETATM 153 HA LME A 13 -6.247 3.439 1.083 1.00 0.00 H HETATM 154 HB LME A 13 -8.229 2.563 -0.942 1.00 0.00 H HETATM 155 H11 LME A 13 -9.770 2.798 1.085 1.00 0.00 H HETATM 156 H12 LME A 13 -8.451 1.678 1.401 1.00 0.00 H HETATM 157 H13 LME A 13 -8.380 3.326 2.062 1.00 0.00 H HETATM 158 HG2 LME A 13 -9.602 4.668 -0.283 1.00 0.00 H HETATM 159 HG3 LME A 13 -8.134 5.393 0.295 1.00 0.00 H HETATM 160 C KYN A 14 -4.531 -0.995 0.720 1.00 0.00 C HETATM 161 N KYN A 14 -6.259 0.708 0.635 1.00 0.00 N HETATM 162 C1 KYN A 14 -6.830 -3.155 0.862 1.00 0.00 C HETATM 163 N1 KYN A 14 -6.048 -5.414 -1.011 1.00 0.00 N HETATM 164 O2 KYN A 14 -5.776 -3.564 1.363 1.00 0.00 O HETATM 165 CA KYN A 14 -6.009 -0.729 0.345 1.00 0.00 C HETATM 166 CB KYN A 14 -7.062 -1.627 1.051 1.00 0.00 C HETATM 167 CG KYN A 14 -7.332 -5.177 -0.734 1.00 0.00 C HETATM 168 CZ KYN A 14 -10.066 -4.840 -0.270 1.00 0.00 C HETATM 169 CD1 KYN A 14 -8.269 -6.019 -1.343 1.00 0.00 C HETATM 170 CD2 KYN A 14 -7.764 -4.132 0.137 1.00 0.00 C HETATM 171 CE1 KYN A 14 -9.625 -5.848 -1.109 1.00 0.00 C HETATM 172 CE2 KYN A 14 -9.152 -3.995 0.344 1.00 0.00 C HETATM 173 O KYN A 14 -4.146 -1.275 1.858 1.00 0.00 O HETATM 174 H KYN A 14 -7.025 0.996 1.268 1.00 0.00 H HETATM 175 HN1 KYN A 14 -5.361 -4.797 -0.559 1.00 0.00 H HETATM 176 HN1A KYN A 14 -5.849 -6.193 -1.647 1.00 0.00 H HETATM 177 HA KYN A 14 -6.095 -0.898 -0.749 1.00 0.00 H HETATM 178 HB KYN A 14 -8.059 -1.405 0.625 1.00 0.00 H HETATM 179 HBA KYN A 14 -7.175 -1.349 2.113 1.00 0.00 H HETATM 180 HZ KYN A 14 -11.124 -4.710 -0.091 1.00 0.00 H HETATM 181 HD1 KYN A 14 -7.966 -6.820 -2.007 1.00 0.00 H HETATM 182 HE1 KYN A 14 -10.340 -6.504 -1.583 1.00 0.00 H HETATM 183 HE2 KYN A 14 -9.570 -3.241 0.986 1.00 0.00 H TER 184 KYN A 14 HETATM 185 C1 DKA A 1 4.109 -7.564 1.823 1.00 0.00 C HETATM 186 O1 DKA A 1 3.389 -6.589 2.055 1.00 0.00 O HETATM 187 C2 DKA A 1 3.449 -8.974 1.723 1.00 0.00 C HETATM 188 C3 DKA A 1 1.918 -9.002 1.533 1.00 0.00 C HETATM 189 C4 DKA A 1 1.399 -10.319 0.924 1.00 0.00 C HETATM 190 C5 DKA A 1 -0.061 -10.233 0.442 1.00 0.00 C HETATM 191 C6 DKA A 1 -0.707 -11.622 0.282 1.00 0.00 C HETATM 192 C7 DKA A 1 -1.327 -12.147 1.590 1.00 0.00 C HETATM 193 C8 DKA A 1 -2.791 -11.701 1.776 1.00 0.00 C HETATM 194 C9 DKA A 1 -3.403 -12.200 3.100 1.00 0.00 C HETATM 195 C10 DKA A 1 -3.681 -13.708 3.095 1.00 0.00 C HETATM 196 H21 DKA A 1 3.684 -9.580 2.615 1.00 0.00 H HETATM 197 H22 DKA A 1 3.924 -9.502 0.876 1.00 0.00 H HETATM 198 H31 DKA A 1 1.442 -8.853 2.521 1.00 0.00 H HETATM 199 H32 DKA A 1 1.598 -8.137 0.924 1.00 0.00 H HETATM 200 H41 DKA A 1 2.045 -10.624 0.079 1.00 0.00 H HETATM 201 H42 DKA A 1 1.489 -11.123 1.678 1.00 0.00 H HETATM 202 H51 DKA A 1 -0.655 -9.632 1.158 1.00 0.00 H HETATM 203 H52 DKA A 1 -0.098 -9.685 -0.519 1.00 0.00 H HETATM 204 H61 DKA A 1 -1.484 -11.580 -0.507 1.00 0.00 H HETATM 205 H62 DKA A 1 0.052 -12.339 -0.084 1.00 0.00 H HETATM 206 H71 DKA A 1 -1.273 -13.253 1.610 1.00 0.00 H HETATM 207 H72 DKA A 1 -0.721 -11.799 2.449 1.00 0.00 H HETATM 208 H81 DKA A 1 -2.846 -10.596 1.738 1.00 0.00 H HETATM 209 H82 DKA A 1 -3.399 -12.063 0.927 1.00 0.00 H HETATM 210 H91 DKA A 1 -4.347 -11.662 3.305 1.00 0.00 H HETATM 211 H92 DKA A 1 -2.728 -11.958 3.942 1.00 0.00 H HETATM 212 H101 DKA A 1 -4.025 -14.058 2.104 1.00 0.00 H HETATM 213 H102 DKA A 1 -2.769 -14.280 3.346 1.00 0.00 H HETATM 214 H103 DKA A 1 -4.454 -13.984 3.836 1.00 0.00 H