ATOM 1 N TRP A 2 5.414 -8.891 0.900 1.00 0.00 N ATOM 2 CA TRP A 2 5.181 -8.345 -0.467 1.00 0.00 C ATOM 3 C TRP A 2 3.649 -8.130 -0.666 1.00 0.00 C ATOM 4 O TRP A 2 2.864 -8.775 0.034 1.00 0.00 O ATOM 5 CB TRP A 2 5.982 -9.127 -1.563 1.00 0.00 C ATOM 6 CG TRP A 2 5.394 -9.079 -2.984 1.00 0.00 C ATOM 7 CD1 TRP A 2 4.272 -9.833 -3.402 1.00 0.00 C ATOM 8 CD2 TRP A 2 5.836 -8.419 -4.116 1.00 0.00 C ATOM 9 NE1 TRP A 2 4.013 -9.666 -4.774 1.00 0.00 N ATOM 10 CE2 TRP A 2 4.989 -8.781 -5.196 1.00 0.00 C ATOM 11 CE3 TRP A 2 6.900 -7.502 -4.316 1.00 0.00 C ATOM 12 CZ2 TRP A 2 5.240 -8.278 -6.495 1.00 0.00 C ATOM 13 CZ3 TRP A 2 7.146 -7.043 -5.612 1.00 0.00 C ATOM 14 CH2 TRP A 2 6.322 -7.417 -6.683 1.00 0.00 C ATOM 15 H1 TRP A 2 5.560 -9.905 1.022 1.00 0.00 H ATOM 16 HA TRP A 2 5.600 -7.330 -0.557 1.00 0.00 H ATOM 17 HB2 TRP A 2 7.027 -8.800 -1.618 1.00 0.00 H ATOM 18 HB3 TRP A 2 6.044 -10.184 -1.242 1.00 0.00 H ATOM 19 HD1 TRP A 2 3.674 -10.443 -2.739 1.00 0.00 H ATOM 20 HE1 TRP A 2 3.290 -10.127 -5.338 1.00 0.00 H ATOM 21 HE3 TRP A 2 7.503 -7.150 -3.491 1.00 0.00 H ATOM 22 HZ2 TRP A 2 4.618 -8.563 -7.331 1.00 0.00 H ATOM 23 HZ3 TRP A 2 7.980 -6.381 -5.792 1.00 0.00 H ATOM 24 HH2 TRP A 2 6.523 -7.024 -7.669 1.00 0.00 H HETATM 25 N DSG A 3 3.156 -7.352 -1.652 1.00 0.00 N HETATM 26 CA DSG A 3 1.870 -6.600 -1.608 1.00 0.00 C HETATM 27 C DSG A 3 1.743 -5.466 -0.542 1.00 0.00 C HETATM 28 O DSG A 3 1.966 -4.305 -0.885 1.00 0.00 O HETATM 29 CB DSG A 3 1.517 -6.208 -3.082 1.00 0.00 C HETATM 30 CG DSG A 3 1.650 -7.374 -4.095 1.00 0.00 C HETATM 31 OD1 DSG A 3 1.795 -7.188 -5.301 1.00 0.00 O HETATM 32 ND2 DSG A 3 1.617 -8.612 -3.611 1.00 0.00 N HETATM 33 H DSG A 3 3.707 -7.412 -2.523 1.00 0.00 H HETATM 34 HA DSG A 3 1.094 -7.359 -1.366 1.00 0.00 H HETATM 35 HB2 DSG A 3 0.490 -5.810 -3.147 1.00 0.00 H HETATM 36 HB3 DSG A 3 2.146 -5.359 -3.413 1.00 0.00 H HETATM 37 HD21 DSG A 3 1.424 -8.719 -2.606 1.00 0.00 H HETATM 38 HD22 DSG A 3 1.811 -9.371 -4.271 1.00 0.00 H ATOM 39 N ASP A 4 1.522 -5.751 0.763 1.00 0.00 N ATOM 40 CA ASP A 4 1.231 -4.805 1.872 1.00 0.00 C ATOM 41 C ASP A 4 0.493 -3.548 1.318 1.00 0.00 C ATOM 42 O ASP A 4 -0.715 -3.622 1.082 1.00 0.00 O ATOM 43 CB ASP A 4 2.561 -4.517 2.638 1.00 0.00 C ATOM 44 CG ASP A 4 2.794 -3.090 3.153 1.00 0.00 C ATOM 45 OD1 ASP A 4 1.957 -2.598 3.940 1.00 0.00 O ATOM 46 OD2 ASP A 4 3.804 -2.455 2.778 1.00 0.00 O ATOM 47 H ASP A 4 1.483 -6.777 0.947 1.00 0.00 H ATOM 48 HA ASP A 4 0.547 -5.293 2.591 1.00 0.00 H ATOM 49 HB2 ASP A 4 2.629 -5.209 3.509 1.00 0.00 H ATOM 50 HB3 ASP A 4 3.435 -4.799 2.017 1.00 0.00 H ATOM 51 N THR A 5 1.157 -2.422 0.982 1.00 0.00 N ATOM 52 CA THR A 5 0.527 -1.160 0.500 1.00 0.00 C ATOM 53 C THR A 5 0.875 0.062 1.402 1.00 0.00 C ATOM 54 O THR A 5 0.028 0.529 2.166 1.00 0.00 O ATOM 55 CB THR A 5 0.606 -0.962 -1.061 1.00 0.00 C ATOM 56 OG1 THR A 5 -0.590 -0.256 -1.507 1.00 0.00 O ATOM 57 CG2 THR A 5 1.792 -0.118 -1.563 1.00 0.00 C ATOM 58 H THR A 5 2.176 -2.533 0.984 1.00 0.00 H ATOM 59 HA THR A 5 -0.553 -1.354 0.629 1.00 0.00 H ATOM 60 HB THR A 5 0.691 -1.957 -1.539 1.00 0.00 H ATOM 61 HG21 THR A 5 2.763 -0.601 -1.342 1.00 0.00 H ATOM 62 HG22 THR A 5 1.807 0.886 -1.098 1.00 0.00 H ATOM 63 HG23 THR A 5 1.748 0.025 -2.656 1.00 0.00 H ATOM 64 N GLY A 6 2.127 0.575 1.434 1.00 0.00 N ATOM 65 CA GLY A 6 2.504 1.920 1.944 1.00 0.00 C ATOM 66 C GLY A 6 3.876 2.335 1.332 1.00 0.00 C ATOM 67 O GLY A 6 4.520 1.487 0.700 1.00 0.00 O ATOM 68 H GLY A 6 2.830 -0.029 0.987 1.00 0.00 H ATOM 69 HA2 GLY A 6 1.708 2.642 1.708 1.00 0.00 H ATOM 70 HA3 GLY A 6 2.597 1.921 3.044 1.00 0.00 H HETATM 71 N ORN A 7 4.408 3.560 1.496 1.00 0.00 N HETATM 72 CA ORN A 7 4.226 4.496 2.635 1.00 0.00 C HETATM 73 CB ORN A 7 5.567 5.285 2.767 1.00 0.00 C HETATM 74 CG ORN A 7 6.881 4.470 2.792 1.00 0.00 C HETATM 75 CD ORN A 7 7.431 4.276 4.224 1.00 0.00 C HETATM 76 NE ORN A 7 8.005 2.931 4.396 1.00 0.00 N HETATM 77 C ORN A 7 3.012 5.450 2.419 1.00 0.00 C HETATM 78 O ORN A 7 2.481 5.528 1.305 1.00 0.00 O HETATM 79 H ORN A 7 5.022 3.861 0.713 1.00 0.00 H HETATM 80 HA ORN A 7 4.106 3.913 3.571 1.00 0.00 H HETATM 81 HB2 ORN A 7 5.531 5.878 3.699 1.00 0.00 H HETATM 82 HB3 ORN A 7 5.616 6.044 1.955 1.00 0.00 H HETATM 83 HG2 ORN A 7 6.712 3.480 2.332 1.00 0.00 H HETATM 84 HG3 ORN A 7 7.639 4.970 2.165 1.00 0.00 H HETATM 85 HD2 ORN A 7 8.203 5.034 4.443 1.00 0.00 H HETATM 86 HD3 ORN A 7 6.627 4.421 4.967 1.00 0.00 H HETATM 87 HE1 ORN A 7 8.941 2.863 3.979 1.00 0.00 H HETATM 88 HE2 ORN A 7 7.423 2.210 3.955 1.00 0.00 H HETATM 89 HE3 ORN A 7 8.097 2.683 5.387 1.00 0.00 H ATOM 90 N ASP A 8 2.597 6.294 3.387 1.00 0.00 N ATOM 91 CA ASP A 8 1.895 7.588 3.166 1.00 0.00 C ATOM 92 C ASP A 8 2.634 8.387 2.049 1.00 0.00 C ATOM 93 O ASP A 8 3.855 8.259 1.933 1.00 0.00 O ATOM 94 CB ASP A 8 1.768 8.332 4.528 1.00 0.00 C ATOM 95 CG ASP A 8 1.056 9.689 4.487 1.00 0.00 C ATOM 96 OD1 ASP A 8 0.292 9.958 3.533 1.00 0.00 O ATOM 97 OD2 ASP A 8 1.268 10.501 5.415 1.00 0.00 O ATOM 98 H ASP A 8 2.713 5.917 4.334 1.00 0.00 H ATOM 99 HA ASP A 8 0.871 7.387 2.804 1.00 0.00 H ATOM 100 HB2 ASP A 8 1.261 7.686 5.270 1.00 0.00 H ATOM 101 HB3 ASP A 8 2.773 8.506 4.956 1.00 0.00 H HETATM 102 N DAL A 9 1.971 9.161 1.165 1.00 0.00 N HETATM 103 CA DAL A 9 2.589 10.168 0.259 1.00 0.00 C HETATM 104 CB DAL A 9 3.318 11.393 0.858 1.00 0.00 C HETATM 105 C DAL A 9 1.723 10.449 -1.006 1.00 0.00 C HETATM 106 O DAL A 9 1.184 11.554 -1.124 1.00 0.00 O HETATM 107 H DAL A 9 0.968 8.953 1.107 1.00 0.00 H HETATM 108 HA DAL A 9 3.444 9.600 -0.155 1.00 0.00 H HETATM 109 HB1 DAL A 9 2.626 12.161 1.234 1.00 0.00 H HETATM 110 HB2 DAL A 9 3.989 11.108 1.689 1.00 0.00 H HETATM 111 HB3 DAL A 9 3.949 11.892 0.102 1.00 0.00 H ATOM 112 N ASP A 10 1.617 9.562 -2.016 1.00 0.00 N ATOM 113 CA ASP A 10 0.484 9.462 -2.973 1.00 0.00 C ATOM 114 C ASP A 10 -0.857 9.696 -2.212 1.00 0.00 C ATOM 115 O ASP A 10 -1.595 10.614 -2.577 1.00 0.00 O ATOM 116 CB ASP A 10 0.585 8.100 -3.724 1.00 0.00 C ATOM 117 CG ASP A 10 1.721 7.979 -4.746 1.00 0.00 C ATOM 118 OD1 ASP A 10 1.501 8.329 -5.927 1.00 0.00 O ATOM 119 OD2 ASP A 10 2.835 7.540 -4.385 1.00 0.00 O ATOM 120 H ASP A 10 2.384 8.880 -2.049 1.00 0.00 H ATOM 121 HA ASP A 10 0.577 10.261 -3.732 1.00 0.00 H ATOM 122 HB2 ASP A 10 0.718 7.275 -2.995 1.00 0.00 H ATOM 123 HB3 ASP A 10 -0.374 7.871 -4.222 1.00 0.00 H ATOM 124 N GLY A 11 -1.205 8.968 -1.131 1.00 0.00 N ATOM 125 CA GLY A 11 -2.595 8.753 -0.647 1.00 0.00 C ATOM 126 C GLY A 11 -2.664 9.094 0.873 1.00 0.00 C ATOM 127 O GLY A 11 -1.686 9.622 1.408 1.00 0.00 O ATOM 128 H GLY A 11 -0.406 8.568 -0.627 1.00 0.00 H ATOM 129 HA2 GLY A 11 -3.318 9.359 -1.197 1.00 0.00 H ATOM 130 HA3 GLY A 11 -2.871 7.710 -0.825 1.00 0.00 H HETATM 131 N DSN A 12 -3.753 8.826 1.622 1.00 0.00 N HETATM 132 CA DSN A 12 -4.740 7.739 1.360 1.00 0.00 C HETATM 133 C DSN A 12 -4.046 6.350 1.227 1.00 0.00 C HETATM 134 O DSN A 12 -2.916 6.207 1.708 1.00 0.00 O HETATM 135 CB DSN A 12 -6.109 8.024 2.036 1.00 0.00 C HETATM 136 OG DSN A 12 -6.303 9.422 2.211 1.00 0.00 O HETATM 137 H DSN A 12 -3.826 9.400 2.469 1.00 0.00 H HETATM 138 HA DSN A 12 -4.990 7.955 0.296 1.00 0.00 H HETATM 139 HB2 DSN A 12 -6.947 7.580 1.481 1.00 0.00 H HETATM 140 HB3 DSN A 12 -6.156 7.560 3.038 1.00 0.00 H HETATM 141 HG DSN A 12 -6.437 9.781 1.331 1.00 0.00 H HETATM 142 N LME A 13 -4.642 5.286 0.655 1.00 0.00 N HETATM 143 CA LME A 13 -4.222 3.866 0.670 1.00 0.00 C HETATM 144 CB LME A 13 -5.263 2.856 1.317 1.00 0.00 C HETATM 145 C1 LME A 13 -4.588 1.615 1.970 1.00 0.00 C HETATM 146 CG LME A 13 -6.192 3.498 2.402 1.00 0.00 C HETATM 147 CD LME A 13 -6.553 2.602 3.605 1.00 0.00 C HETATM 148 OE1 LME A 13 -7.664 2.026 3.614 1.00 0.00 O HETATM 149 OE2 LME A 13 -5.736 2.496 4.544 1.00 0.00 O HETATM 150 C LME A 13 -3.402 3.417 -0.589 1.00 0.00 C HETATM 151 O LME A 13 -3.332 4.159 -1.569 1.00 0.00 O HETATM 152 H LME A 13 -5.536 5.524 0.177 1.00 0.00 H HETATM 153 HA LME A 13 -3.426 3.839 1.442 1.00 0.00 H HETATM 154 HB LME A 13 -5.905 2.501 0.495 1.00 0.00 H HETATM 155 H11 LME A 13 -5.316 0.933 2.424 1.00 0.00 H HETATM 156 H12 LME A 13 -4.021 1.015 1.236 1.00 0.00 H HETATM 157 H13 LME A 13 -3.874 1.914 2.762 1.00 0.00 H HETATM 158 HG2 LME A 13 -7.126 3.860 1.931 1.00 0.00 H HETATM 159 HG3 LME A 13 -5.725 4.396 2.835 1.00 0.00 H HETATM 160 C KYN A 14 -0.791 1.088 -1.215 1.00 0.00 C HETATM 161 N KYN A 14 -2.876 2.171 -0.645 1.00 0.00 N HETATM 162 C1 KYN A 14 -2.353 -0.072 -3.806 1.00 0.00 C HETATM 163 N1 KYN A 14 -0.815 -2.515 -4.750 1.00 0.00 N HETATM 164 O2 KYN A 14 -1.315 0.498 -4.152 1.00 0.00 O HETATM 165 CA KYN A 14 -2.138 1.586 -1.795 1.00 0.00 C HETATM 166 CB KYN A 14 -3.006 0.522 -2.526 1.00 0.00 C HETATM 167 CG KYN A 14 -2.111 -2.378 -5.038 1.00 0.00 C HETATM 168 CZ KYN A 14 -4.818 -2.274 -5.723 1.00 0.00 C HETATM 169 CD1 KYN A 14 -2.700 -3.406 -5.782 1.00 0.00 C HETATM 170 CD2 KYN A 14 -2.890 -1.258 -4.619 1.00 0.00 C HETATM 171 CE1 KYN A 14 -4.042 -3.349 -6.121 1.00 0.00 C HETATM 172 CE2 KYN A 14 -4.251 -1.244 -4.983 1.00 0.00 C HETATM 173 O KYN A 14 0.002 1.800 -0.598 1.00 0.00 O HETATM 174 H KYN A 14 -3.116 1.596 0.177 1.00 0.00 H HETATM 175 HN1 KYN A 14 -0.386 -1.762 -4.200 1.00 0.00 H HETATM 176 HN1A KYN A 14 -0.352 -3.362 -5.097 1.00 0.00 H HETATM 177 HA KYN A 14 -1.898 2.389 -2.522 1.00 0.00 H HETATM 178 HB KYN A 14 -3.177 -0.326 -1.836 1.00 0.00 H HETATM 179 HBA KYN A 14 -4.022 0.908 -2.707 1.00 0.00 H HETATM 180 HZ KYN A 14 -5.864 -2.235 -5.986 1.00 0.00 H HETATM 181 HD1 KYN A 14 -2.128 -4.266 -6.112 1.00 0.00 H HETATM 182 HE1 KYN A 14 -4.487 -4.147 -6.698 1.00 0.00 H HETATM 183 HE2 KYN A 14 -4.919 -0.449 -4.704 1.00 0.00 H TER 184 KYN A 14 HETATM 185 C1 DKA A 1 5.331 -8.204 2.055 1.00 0.00 C HETATM 186 O1 DKA A 1 5.357 -6.972 2.022 1.00 0.00 O HETATM 187 C2 DKA A 1 5.253 -8.917 3.441 1.00 0.00 C HETATM 188 C3 DKA A 1 4.823 -8.040 4.635 1.00 0.00 C HETATM 189 C4 DKA A 1 3.300 -7.808 4.713 1.00 0.00 C HETATM 190 C5 DKA A 1 2.556 -8.910 5.488 1.00 0.00 C HETATM 191 C6 DKA A 1 1.792 -8.354 6.704 1.00 0.00 C HETATM 192 C7 DKA A 1 0.550 -9.192 7.062 1.00 0.00 C HETATM 193 C8 DKA A 1 0.745 -10.695 6.784 1.00 0.00 C HETATM 194 C9 DKA A 1 -0.419 -11.556 7.312 1.00 0.00 C HETATM 195 C10 DKA A 1 -0.473 -12.946 6.666 1.00 0.00 C HETATM 196 H21 DKA A 1 4.565 -9.779 3.399 1.00 0.00 H HETATM 197 H22 DKA A 1 6.249 -9.346 3.651 1.00 0.00 H HETATM 198 H31 DKA A 1 5.158 -8.532 5.568 1.00 0.00 H HETATM 199 H32 DKA A 1 5.362 -7.074 4.608 1.00 0.00 H HETATM 200 H41 DKA A 1 3.092 -6.826 5.180 1.00 0.00 H HETATM 201 H42 DKA A 1 2.896 -7.744 3.685 1.00 0.00 H HETATM 202 H51 DKA A 1 1.846 -9.426 4.813 1.00 0.00 H HETATM 203 H52 DKA A 1 3.279 -9.680 5.816 1.00 0.00 H HETATM 204 H61 DKA A 1 2.470 -8.305 7.578 1.00 0.00 H HETATM 205 H62 DKA A 1 1.489 -7.309 6.501 1.00 0.00 H HETATM 206 H71 DKA A 1 0.296 -9.045 8.130 1.00 0.00 H HETATM 207 H72 DKA A 1 -0.322 -8.819 6.490 1.00 0.00 H HETATM 208 H81 DKA A 1 0.858 -10.855 5.695 1.00 0.00 H HETATM 209 H82 DKA A 1 1.693 -11.036 7.239 1.00 0.00 H HETATM 210 H91 DKA A 1 -1.381 -11.040 7.132 1.00 0.00 H HETATM 211 H92 DKA A 1 -0.337 -11.669 8.409 1.00 0.00 H HETATM 212 H101 DKA A 1 -0.027 -13.718 7.320 1.00 0.00 H HETATM 213 H102 DKA A 1 -1.516 -13.250 6.464 1.00 0.00 H HETATM 214 H103 DKA A 1 0.067 -12.969 5.701 1.00 0.00 H