ATOM 1 N TRP A 2 -0.172 -8.903 -2.542 1.00 0.00 N ATOM 2 CA TRP A 2 0.936 -8.921 -1.550 1.00 0.00 C ATOM 3 C TRP A 2 1.888 -7.719 -1.839 1.00 0.00 C ATOM 4 O TRP A 2 1.887 -7.223 -2.970 1.00 0.00 O ATOM 5 CB TRP A 2 1.580 -10.336 -1.396 1.00 0.00 C ATOM 6 CG TRP A 2 1.544 -10.957 0.011 1.00 0.00 C ATOM 7 CD1 TRP A 2 0.628 -11.944 0.441 1.00 0.00 C ATOM 8 CD2 TRP A 2 2.420 -10.785 1.069 1.00 0.00 C ATOM 9 NE1 TRP A 2 0.908 -12.386 1.746 1.00 0.00 N ATOM 10 CE2 TRP A 2 2.028 -11.660 2.113 1.00 0.00 C ATOM 11 CE3 TRP A 2 3.581 -9.979 1.204 1.00 0.00 C ATOM 12 CZ2 TRP A 2 2.792 -11.733 3.304 1.00 0.00 C ATOM 13 CZ3 TRP A 2 4.303 -10.051 2.396 1.00 0.00 C ATOM 14 CH2 TRP A 2 3.942 -10.949 3.409 1.00 0.00 C ATOM 15 H1 TRP A 2 -0.150 -9.575 -3.329 1.00 0.00 H ATOM 16 HA TRP A 2 0.549 -8.718 -0.536 1.00 0.00 H ATOM 17 HB2 TRP A 2 1.106 -11.067 -2.083 1.00 0.00 H ATOM 18 HB3 TRP A 2 2.620 -10.280 -1.769 1.00 0.00 H ATOM 19 HD1 TRP A 2 -0.162 -12.353 -0.175 1.00 0.00 H ATOM 20 HE1 TRP A 2 0.430 -13.120 2.279 1.00 0.00 H ATOM 21 HE3 TRP A 2 3.904 -9.337 0.399 1.00 0.00 H ATOM 22 HZ2 TRP A 2 2.503 -12.390 4.110 1.00 0.00 H ATOM 23 HZ3 TRP A 2 5.160 -9.409 2.534 1.00 0.00 H ATOM 24 HH2 TRP A 2 4.568 -11.039 4.286 1.00 0.00 H HETATM 25 N DSG A 3 2.741 -7.226 -0.915 1.00 0.00 N HETATM 26 CA DSG A 3 3.479 -5.937 -0.973 1.00 0.00 C HETATM 27 C DSG A 3 3.362 -4.978 0.252 1.00 0.00 C HETATM 28 O DSG A 3 2.861 -5.403 1.295 1.00 0.00 O HETATM 29 CB DSG A 3 4.951 -6.253 -1.393 1.00 0.00 C HETATM 30 CG DSG A 3 5.604 -7.475 -0.712 1.00 0.00 C HETATM 31 OD1 DSG A 3 6.266 -8.289 -1.354 1.00 0.00 O HETATM 32 ND2 DSG A 3 5.431 -7.638 0.591 1.00 0.00 N HETATM 33 H DSG A 3 2.865 -7.860 -0.110 1.00 0.00 H HETATM 34 HA DSG A 3 3.072 -5.393 -1.849 1.00 0.00 H HETATM 35 HB2 DSG A 3 5.011 -6.407 -2.486 1.00 0.00 H HETATM 36 HB3 DSG A 3 5.587 -5.362 -1.219 1.00 0.00 H HETATM 37 HD21 DSG A 3 4.915 -6.900 1.083 1.00 0.00 H HETATM 38 HD22 DSG A 3 5.806 -8.503 0.997 1.00 0.00 H ATOM 39 N ASP A 4 3.843 -3.716 0.217 1.00 0.00 N ATOM 40 CA ASP A 4 3.760 -2.735 1.333 1.00 0.00 C ATOM 41 C ASP A 4 2.264 -2.369 1.580 1.00 0.00 C ATOM 42 O ASP A 4 1.564 -3.139 2.240 1.00 0.00 O ATOM 43 CB ASP A 4 4.691 -1.520 1.032 1.00 0.00 C ATOM 44 CG ASP A 4 4.191 -0.131 1.468 1.00 0.00 C ATOM 45 OD1 ASP A 4 3.999 0.103 2.681 1.00 0.00 O ATOM 46 OD2 ASP A 4 3.976 0.725 0.582 1.00 0.00 O ATOM 47 H ASP A 4 4.384 -3.508 -0.629 1.00 0.00 H ATOM 48 HA ASP A 4 4.140 -3.211 2.255 1.00 0.00 H ATOM 49 HB2 ASP A 4 5.660 -1.670 1.562 1.00 0.00 H ATOM 50 HB3 ASP A 4 4.981 -1.479 -0.035 1.00 0.00 H ATOM 51 N THR A 5 1.695 -1.283 1.016 1.00 0.00 N ATOM 52 CA THR A 5 0.369 -0.709 1.379 1.00 0.00 C ATOM 53 C THR A 5 0.494 0.554 2.283 1.00 0.00 C ATOM 54 O THR A 5 0.170 0.503 3.471 1.00 0.00 O ATOM 55 CB THR A 5 -0.649 -0.645 0.179 1.00 0.00 C ATOM 56 OG1 THR A 5 -2.008 -0.787 0.702 1.00 0.00 O ATOM 57 CG2 THR A 5 -0.656 0.676 -0.612 1.00 0.00 C ATOM 58 H THR A 5 2.288 -0.831 0.312 1.00 0.00 H ATOM 59 HA THR A 5 -0.085 -1.502 2.001 1.00 0.00 H ATOM 60 HB THR A 5 -0.403 -1.450 -0.537 1.00 0.00 H ATOM 61 HG21 THR A 5 0.310 0.854 -1.119 1.00 0.00 H ATOM 62 HG22 THR A 5 -0.853 1.546 0.042 1.00 0.00 H ATOM 63 HG23 THR A 5 -1.432 0.668 -1.396 1.00 0.00 H ATOM 64 N GLY A 6 0.980 1.716 1.793 1.00 0.00 N ATOM 65 CA GLY A 6 0.773 3.063 2.392 1.00 0.00 C ATOM 66 C GLY A 6 2.154 3.763 2.576 1.00 0.00 C ATOM 67 O GLY A 6 2.739 3.641 3.656 1.00 0.00 O ATOM 68 H GLY A 6 1.439 1.618 0.879 1.00 0.00 H ATOM 69 HA2 GLY A 6 0.091 3.648 1.757 1.00 0.00 H ATOM 70 HA3 GLY A 6 0.282 2.992 3.379 1.00 0.00 H HETATM 71 N ORN A 7 2.748 4.460 1.587 1.00 0.00 N HETATM 72 CA ORN A 7 3.834 5.462 1.755 1.00 0.00 C HETATM 73 CB ORN A 7 4.572 5.575 0.388 1.00 0.00 C HETATM 74 CG ORN A 7 4.508 4.335 -0.539 1.00 0.00 C HETATM 75 CD ORN A 7 3.461 4.478 -1.657 1.00 0.00 C HETATM 76 NE ORN A 7 2.876 3.174 -2.016 1.00 0.00 N HETATM 77 C ORN A 7 3.289 6.841 2.236 1.00 0.00 C HETATM 78 O ORN A 7 2.179 7.210 1.843 1.00 0.00 O HETATM 79 H ORN A 7 2.465 4.166 0.643 1.00 0.00 H HETATM 80 HA ORN A 7 4.576 5.060 2.477 1.00 0.00 H HETATM 81 HB2 ORN A 7 5.642 5.791 0.577 1.00 0.00 H HETATM 82 HB3 ORN A 7 4.193 6.454 -0.169 1.00 0.00 H HETATM 83 HG2 ORN A 7 5.504 4.162 -0.990 1.00 0.00 H HETATM 84 HG3 ORN A 7 4.294 3.435 0.067 1.00 0.00 H HETATM 85 HD2 ORN A 7 2.654 5.165 -1.344 1.00 0.00 H HETATM 86 HD3 ORN A 7 3.918 4.925 -2.558 1.00 0.00 H HETATM 87 HE1 ORN A 7 3.564 2.417 -1.937 1.00 0.00 H HETATM 88 HE2 ORN A 7 2.528 3.169 -2.982 1.00 0.00 H HETATM 89 HE3 ORN A 7 2.088 2.933 -1.406 1.00 0.00 H ATOM 90 N ASP A 8 4.038 7.691 2.968 1.00 0.00 N ATOM 91 CA ASP A 8 3.514 8.821 3.781 1.00 0.00 C ATOM 92 C ASP A 8 3.547 10.127 2.929 1.00 0.00 C ATOM 93 O ASP A 8 4.578 10.802 2.920 1.00 0.00 O ATOM 94 CB ASP A 8 4.312 8.892 5.117 1.00 0.00 C ATOM 95 CG ASP A 8 3.849 9.958 6.120 1.00 0.00 C ATOM 96 OD1 ASP A 8 3.998 11.163 5.818 1.00 0.00 O ATOM 97 OD2 ASP A 8 3.351 9.606 7.212 1.00 0.00 O ATOM 98 H ASP A 8 5.042 7.479 2.951 1.00 0.00 H ATOM 99 HA ASP A 8 2.459 8.622 4.042 1.00 0.00 H ATOM 100 HB2 ASP A 8 4.309 7.906 5.619 1.00 0.00 H ATOM 101 HB3 ASP A 8 5.381 9.091 4.908 1.00 0.00 H HETATM 102 N DAL A 9 2.466 10.575 2.257 1.00 0.00 N HETATM 103 CA DAL A 9 2.477 11.646 1.223 1.00 0.00 C HETATM 104 CB DAL A 9 2.721 13.115 1.641 1.00 0.00 C HETATM 105 C DAL A 9 1.399 11.426 0.119 1.00 0.00 C HETATM 106 O DAL A 9 0.291 11.949 0.257 1.00 0.00 O HETATM 107 H DAL A 9 1.582 10.162 2.573 1.00 0.00 H HETATM 108 HA DAL A 9 3.423 11.429 0.688 1.00 0.00 H HETATM 109 HB1 DAL A 9 1.836 13.577 2.105 1.00 0.00 H HETATM 110 HB2 DAL A 9 3.563 13.208 2.350 1.00 0.00 H HETATM 111 HB3 DAL A 9 2.973 13.742 0.768 1.00 0.00 H ATOM 112 N ASP A 10 1.632 10.682 -0.985 1.00 0.00 N ATOM 113 CA ASP A 10 0.966 10.870 -2.303 1.00 0.00 C ATOM 114 C ASP A 10 0.003 9.676 -2.583 1.00 0.00 C ATOM 115 O ASP A 10 -1.077 9.924 -3.149 1.00 0.00 O ATOM 116 CB ASP A 10 2.054 11.099 -3.396 1.00 0.00 C ATOM 117 CG ASP A 10 1.801 12.281 -4.346 1.00 0.00 C ATOM 118 OD1 ASP A 10 1.324 13.345 -3.894 1.00 0.00 O ATOM 119 OD2 ASP A 10 2.095 12.144 -5.554 1.00 0.00 O ATOM 120 H ASP A 10 2.389 9.999 -0.863 1.00 0.00 H ATOM 121 HA ASP A 10 0.348 11.786 -2.264 1.00 0.00 H ATOM 122 HB2 ASP A 10 3.050 11.227 -2.935 1.00 0.00 H ATOM 123 HB3 ASP A 10 2.154 10.199 -4.030 1.00 0.00 H ATOM 124 N GLY A 11 0.237 8.404 -2.202 1.00 0.00 N ATOM 125 CA GLY A 11 -0.819 7.393 -1.905 1.00 0.00 C ATOM 126 C GLY A 11 -0.338 6.484 -0.736 1.00 0.00 C ATOM 127 O GLY A 11 0.851 6.540 -0.401 1.00 0.00 O ATOM 128 H GLY A 11 1.224 8.124 -2.232 1.00 0.00 H ATOM 129 HA2 GLY A 11 -1.769 7.865 -1.644 1.00 0.00 H ATOM 130 HA3 GLY A 11 -1.006 6.807 -2.809 1.00 0.00 H HETATM 131 N DSN A 12 -1.128 5.555 -0.158 1.00 0.00 N HETATM 132 CA DSN A 12 -2.596 5.397 -0.355 1.00 0.00 C HETATM 133 C DSN A 12 -3.105 4.022 0.175 1.00 0.00 C HETATM 134 O DSN A 12 -2.421 3.429 1.021 1.00 0.00 O HETATM 135 CB DSN A 12 -3.347 6.754 -0.254 1.00 0.00 C HETATM 136 OG DSN A 12 -4.729 6.547 0.002 1.00 0.00 O HETATM 137 H DSN A 12 -0.625 4.925 0.481 1.00 0.00 H HETATM 138 HA DSN A 12 -2.631 5.225 -1.456 1.00 0.00 H HETATM 139 HB2 DSN A 12 -2.904 7.420 0.501 1.00 0.00 H HETATM 140 HB3 DSN A 12 -3.271 7.316 -1.205 1.00 0.00 H HETATM 141 HG DSN A 12 -4.784 6.223 0.903 1.00 0.00 H HETATM 142 N LME A 13 -4.287 3.486 -0.187 1.00 0.00 N HETATM 143 CA LME A 13 -5.010 2.360 0.449 1.00 0.00 C HETATM 144 CB LME A 13 -6.536 2.635 0.787 1.00 0.00 C HETATM 145 C1 LME A 13 -7.034 1.841 2.029 1.00 0.00 C HETATM 146 CG LME A 13 -6.887 4.141 1.033 1.00 0.00 C HETATM 147 CD LME A 13 -7.954 4.422 2.109 1.00 0.00 C HETATM 148 OE1 LME A 13 -9.119 4.691 1.740 1.00 0.00 O HETATM 149 OE2 LME A 13 -7.622 4.397 3.314 1.00 0.00 O HETATM 150 C LME A 13 -4.591 0.934 -0.065 1.00 0.00 C HETATM 151 O LME A 13 -4.043 0.852 -1.163 1.00 0.00 O HETATM 152 H LME A 13 -4.664 3.864 -1.079 1.00 0.00 H HETATM 153 HA LME A 13 -4.586 2.331 1.473 1.00 0.00 H HETATM 154 HB LME A 13 -7.113 2.299 -0.090 1.00 0.00 H HETATM 155 H11 LME A 13 -8.089 2.047 2.262 1.00 0.00 H HETATM 156 H12 LME A 13 -6.963 0.749 1.885 1.00 0.00 H HETATM 157 H13 LME A 13 -6.441 2.087 2.932 1.00 0.00 H HETATM 158 HG2 LME A 13 -7.203 4.613 0.083 1.00 0.00 H HETATM 159 HG3 LME A 13 -5.995 4.706 1.348 1.00 0.00 H HETATM 160 C KYN A 14 -2.992 -1.403 -0.065 1.00 0.00 C HETATM 161 N KYN A 14 -4.962 -0.161 0.633 1.00 0.00 N HETATM 162 C1 KYN A 14 -3.466 -3.333 2.353 1.00 0.00 C HETATM 163 N1 KYN A 14 -0.774 -4.547 3.060 1.00 0.00 N HETATM 164 O2 KYN A 14 -3.189 -3.900 1.290 1.00 0.00 O HETATM 165 CA KYN A 14 -4.334 -1.507 0.696 1.00 0.00 C HETATM 166 CB KYN A 14 -4.243 -1.998 2.171 1.00 0.00 C HETATM 167 CG KYN A 14 -1.757 -4.508 3.963 1.00 0.00 C HETATM 168 CZ KYN A 14 -3.698 -4.529 5.973 1.00 0.00 C HETATM 169 CD1 KYN A 14 -1.476 -5.052 5.221 1.00 0.00 C HETATM 170 CD2 KYN A 14 -3.045 -3.955 3.691 1.00 0.00 C HETATM 171 CE1 KYN A 14 -2.443 -5.059 6.215 1.00 0.00 C HETATM 172 CE2 KYN A 14 -3.994 -3.985 4.731 1.00 0.00 C HETATM 173 O KYN A 14 -2.832 -1.820 -1.220 1.00 0.00 O HETATM 174 H KYN A 14 -5.773 0.043 1.267 1.00 0.00 H HETATM 175 HN1 KYN A 14 -0.985 -4.154 2.135 1.00 0.00 H HETATM 176 HN1A KYN A 14 0.109 -4.972 3.361 1.00 0.00 H HETATM 177 HA KYN A 14 -4.964 -2.228 0.135 1.00 0.00 H HETATM 178 HB KYN A 14 -5.269 -2.179 2.545 1.00 0.00 H HETATM 179 HBA KYN A 14 -3.874 -1.195 2.829 1.00 0.00 H HETATM 180 HZ KYN A 14 -4.447 -4.538 6.751 1.00 0.00 H HETATM 181 HD1 KYN A 14 -0.507 -5.477 5.451 1.00 0.00 H HETATM 182 HE1 KYN A 14 -2.215 -5.480 7.183 1.00 0.00 H HETATM 183 HE2 KYN A 14 -4.993 -3.601 4.617 1.00 0.00 H TER 184 KYN A 14 HETATM 185 C1 DKA A 1 -1.238 -8.080 -2.546 1.00 0.00 C HETATM 186 O1 DKA A 1 -1.537 -7.481 -1.509 1.00 0.00 O HETATM 187 C2 DKA A 1 -2.156 -7.917 -3.796 1.00 0.00 C HETATM 188 C3 DKA A 1 -3.186 -6.770 -3.745 1.00 0.00 C HETATM 189 C4 DKA A 1 -2.933 -5.668 -4.794 1.00 0.00 C HETATM 190 C5 DKA A 1 -3.428 -6.043 -6.202 1.00 0.00 C HETATM 191 C6 DKA A 1 -3.337 -4.862 -7.186 1.00 0.00 C HETATM 192 C7 DKA A 1 -3.282 -5.314 -8.658 1.00 0.00 C HETATM 193 C8 DKA A 1 -2.542 -4.310 -9.563 1.00 0.00 C HETATM 194 C9 DKA A 1 -1.045 -4.638 -9.720 1.00 0.00 C HETATM 195 C10 DKA A 1 -0.152 -3.393 -9.643 1.00 0.00 C HETATM 196 H21 DKA A 1 -2.710 -8.850 -3.999 1.00 0.00 H HETATM 197 H22 DKA A 1 -1.500 -7.770 -4.672 1.00 0.00 H HETATM 198 H31 DKA A 1 -4.193 -7.197 -3.911 1.00 0.00 H HETATM 199 H32 DKA A 1 -3.220 -6.337 -2.727 1.00 0.00 H HETATM 200 H41 DKA A 1 -3.418 -4.725 -4.475 1.00 0.00 H HETATM 201 H42 DKA A 1 -1.850 -5.453 -4.829 1.00 0.00 H HETATM 202 H51 DKA A 1 -2.836 -6.892 -6.593 1.00 0.00 H HETATM 203 H52 DKA A 1 -4.472 -6.404 -6.141 1.00 0.00 H HETATM 204 H61 DKA A 1 -4.204 -4.188 -7.039 1.00 0.00 H HETATM 205 H62 DKA A 1 -2.441 -4.255 -6.951 1.00 0.00 H HETATM 206 H71 DKA A 1 -2.789 -6.303 -8.725 1.00 0.00 H HETATM 207 H72 DKA A 1 -4.312 -5.463 -9.036 1.00 0.00 H HETATM 208 H81 DKA A 1 -3.021 -4.290 -10.560 1.00 0.00 H HETATM 209 H82 DKA A 1 -2.657 -3.289 -9.152 1.00 0.00 H HETATM 210 H91 DKA A 1 -0.869 -5.147 -10.686 1.00 0.00 H HETATM 211 H92 DKA A 1 -0.733 -5.356 -8.939 1.00 0.00 H HETATM 212 H101 DKA A 1 0.895 -3.656 -9.404 1.00 0.00 H HETATM 213 H102 DKA A 1 -0.142 -2.853 -10.607 1.00 0.00 H HETATM 214 H103 DKA A 1 -0.505 -2.684 -8.872 1.00 0.00 H