EXPDTA T0348TS247_2-scwrl MODEL 1 REMARK 44 REMARK 44 model 1 is called T0348TS247_2-scwrl ATOM 1 N MET A 1 0.000 0.000 0.000 1.00 0.00 ATOM 2 CA MET A 1 0.000 0.000 1.454 1.00 0.00 ATOM 3 CB MET A 1 1.241 -0.717 1.990 1.00 0.00 ATOM 4 CG MET A 1 1.317 -0.777 3.507 1.00 0.00 ATOM 5 SD MET A 1 2.805 -1.606 4.097 1.00 0.00 ATOM 6 CE MET A 1 4.055 -0.392 3.682 1.00 0.00 ATOM 7 O MET A 1 -0.964 1.786 2.694 1.00 0.00 ATOM 8 C MET A 1 0.000 1.401 2.034 1.00 0.00 ATOM 9 N ASP A 2 1.088 2.144 1.776 1.00 0.00 ATOM 10 CA ASP A 2 1.276 3.503 2.289 1.00 0.00 ATOM 11 CB ASP A 2 2.545 4.126 1.703 1.00 0.00 ATOM 12 CG ASP A 2 3.810 3.530 2.288 1.00 0.00 ATOM 13 OD1 ASP A 2 3.712 2.806 3.302 1.00 0.00 ATOM 14 OD2 ASP A 2 4.899 3.787 1.733 1.00 0.00 ATOM 15 O ASP A 2 -0.481 5.070 2.749 1.00 0.00 ATOM 16 C ASP A 2 0.093 4.373 1.913 1.00 0.00 ATOM 17 N ALA A 3 -0.241 4.298 0.622 1.00 0.00 ATOM 18 CA ALA A 3 -1.414 4.922 0.035 1.00 0.00 ATOM 19 CB ALA A 3 -1.590 4.469 -1.406 1.00 0.00 ATOM 20 O ALA A 3 -3.586 5.530 0.843 1.00 0.00 ATOM 21 C ALA A 3 -2.754 4.638 0.710 1.00 0.00 ATOM 22 N LYS A 4 -2.972 3.389 1.142 1.00 0.00 ATOM 23 CA LYS A 4 -4.190 3.024 1.849 1.00 0.00 ATOM 24 CB LYS A 4 -4.310 1.503 1.960 1.00 0.00 ATOM 25 CG LYS A 4 -5.581 1.029 2.644 1.00 0.00 ATOM 26 CD LYS A 4 -5.676 -0.489 2.644 1.00 0.00 ATOM 27 CE LYS A 4 -6.930 -0.964 3.359 1.00 0.00 ATOM 28 NZ LYS A 4 -7.009 -2.450 3.414 1.00 0.00 ATOM 29 O LYS A 4 -5.185 4.171 3.692 1.00 0.00 ATOM 30 C LYS A 4 -4.177 3.613 3.249 1.00 0.00 ATOM 31 N PHE A 5 -3.041 3.493 3.952 1.00 0.00 ATOM 32 CA PHE A 5 -2.865 4.062 5.287 1.00 0.00 ATOM 33 CB PHE A 5 -1.447 3.801 5.798 1.00 0.00 ATOM 34 CG PHE A 5 -1.233 2.404 6.307 1.00 0.00 ATOM 35 CD1 PHE A 5 -0.590 1.459 5.527 1.00 0.00 ATOM 36 CD2 PHE A 5 -1.674 2.036 7.566 1.00 0.00 ATOM 37 CE1 PHE A 5 -0.393 0.174 5.995 1.00 0.00 ATOM 38 CE2 PHE A 5 -1.478 0.750 8.034 1.00 0.00 ATOM 39 CZ PHE A 5 -0.840 -0.179 7.255 1.00 0.00 ATOM 40 O PHE A 5 -3.666 6.109 6.259 1.00 0.00 ATOM 41 C PHE A 5 -3.088 5.570 5.314 1.00 0.00 ATOM 42 N LEU A 6 -2.615 6.237 4.253 1.00 0.00 ATOM 43 CA LEU A 6 -2.895 7.640 3.998 1.00 0.00 ATOM 44 CB LEU A 6 -2.321 8.064 2.645 1.00 0.00 ATOM 45 CG LEU A 6 -0.797 8.164 2.557 1.00 0.00 ATOM 46 CD1 LEU A 6 -0.356 8.407 1.121 1.00 0.00 ATOM 47 CD2 LEU A 6 -0.283 9.313 3.412 1.00 0.00 ATOM 48 O LEU A 6 -4.870 8.850 4.630 1.00 0.00 ATOM 49 C LEU A 6 -4.401 7.911 3.979 1.00 0.00 ATOM 50 N GLU A 7 -5.203 7.119 3.249 1.00 0.00 ATOM 51 CA GLU A 7 -6.655 7.299 3.234 1.00 0.00 ATOM 52 CB GLU A 7 -7.293 6.415 2.160 1.00 0.00 ATOM 53 CG GLU A 7 -8.797 6.590 2.026 1.00 0.00 ATOM 54 CD GLU A 7 -9.381 5.768 0.894 1.00 0.00 ATOM 55 OE1 GLU A 7 -8.604 5.083 0.196 1.00 0.00 ATOM 56 OE2 GLU A 7 -10.614 5.810 0.704 1.00 0.00 ATOM 57 O GLU A 7 -8.312 7.572 4.937 1.00 0.00 ATOM 58 C GLU A 7 -7.325 6.941 4.560 1.00 0.00 ATOM 59 N ILE A 8 -6.817 5.938 5.290 1.00 0.00 ATOM 60 CA ILE A 8 -7.379 5.528 6.579 1.00 0.00 ATOM 61 CB ILE A 8 -6.573 4.374 7.205 1.00 0.00 ATOM 62 CG1 ILE A 8 -6.736 3.099 6.375 1.00 0.00 ATOM 63 CG2 ILE A 8 -7.056 4.094 8.620 1.00 0.00 ATOM 64 CD1 ILE A 8 -5.777 1.994 6.760 1.00 0.00 ATOM 65 O ILE A 8 -8.365 6.880 8.302 1.00 0.00 ATOM 66 C ILE A 8 -7.381 6.679 7.586 1.00 0.00 ATOM 67 N LEU A 9 -6.293 7.452 7.666 1.00 0.00 ATOM 68 CA LEU A 9 -6.255 8.605 8.561 1.00 0.00 ATOM 69 CB LEU A 9 -4.825 8.866 9.038 1.00 0.00 ATOM 70 CG LEU A 9 -4.170 7.753 9.858 1.00 0.00 ATOM 71 CD1 LEU A 9 -2.724 8.100 10.178 1.00 0.00 ATOM 72 CD2 LEU A 9 -4.910 7.544 11.170 1.00 0.00 ATOM 73 O LEU A 9 -6.813 10.946 8.573 1.00 0.00 ATOM 74 C LEU A 9 -6.748 9.905 7.917 1.00 0.00 ATOM 75 N VAL A 10 -7.104 9.879 6.626 1.00 0.00 ATOM 76 CA VAL A 10 -6.999 11.012 5.701 1.00 0.00 ATOM 77 CB VAL A 10 -8.355 11.718 5.517 1.00 0.00 ATOM 78 CG1 VAL A 10 -8.201 12.946 4.633 1.00 0.00 ATOM 79 CG2 VAL A 10 -9.360 10.780 4.866 1.00 0.00 ATOM 80 O VAL A 10 -4.864 12.120 5.691 1.00 0.00 ATOM 81 C VAL A 10 -6.030 12.137 6.093 1.00 0.00 ATOM 82 N CYS A 11 -6.458 13.135 6.872 1.00 0.00 ATOM 83 CA CYS A 11 -5.694 14.368 7.034 1.00 0.00 ATOM 84 CB CYS A 11 -6.458 15.360 7.914 1.00 0.00 ATOM 85 SG CYS A 11 -7.948 16.042 7.151 1.00 0.00 ATOM 86 O CYS A 11 -3.419 14.964 7.178 1.00 0.00 ATOM 87 C CYS A 11 -4.307 14.277 7.678 1.00 0.00 ATOM 88 N PRO A 12 -4.015 13.497 8.743 1.00 0.00 ATOM 89 CA PRO A 12 -2.651 13.249 9.220 1.00 0.00 ATOM 90 CB PRO A 12 -2.834 12.245 10.360 1.00 0.00 ATOM 91 CG PRO A 12 -4.204 12.520 10.883 1.00 0.00 ATOM 92 CD PRO A 12 -5.053 12.838 9.684 1.00 0.00 ATOM 93 O PRO A 12 -0.521 13.080 8.129 1.00 0.00 ATOM 94 C PRO A 12 -1.685 12.675 8.188 1.00 0.00 ATOM 95 N LEU A 13 -2.145 11.732 7.364 1.00 0.00 ATOM 96 CA LEU A 13 -1.301 11.159 6.335 1.00 0.00 ATOM 97 CB LEU A 13 -1.248 9.636 6.472 1.00 0.00 ATOM 98 CG LEU A 13 -0.663 9.093 7.778 1.00 0.00 ATOM 99 CD1 LEU A 13 -0.875 7.591 7.878 1.00 0.00 ATOM 100 CD2 LEU A 13 0.831 9.368 7.853 1.00 0.00 ATOM 101 O LEU A 13 -2.598 10.750 4.336 1.00 0.00 ATOM 102 C LEU A 13 -1.878 11.524 4.972 1.00 0.00 ATOM 103 N CYS A 14 -1.574 12.726 4.484 1.00 0.00 ATOM 104 CA CYS A 14 -2.169 13.198 3.238 1.00 0.00 ATOM 105 CB CYS A 14 -3.179 14.313 3.515 1.00 0.00 ATOM 106 SG CYS A 14 -4.008 14.954 2.042 1.00 0.00 ATOM 107 O CYS A 14 -1.268 13.582 1.044 1.00 0.00 ATOM 108 C CYS A 14 -1.150 13.760 2.252 1.00 0.00 ATOM 109 N LYS A 15 -0.134 14.448 2.779 1.00 0.00 ATOM 110 CA LYS A 15 0.820 15.238 2.004 1.00 0.00 ATOM 111 CB LYS A 15 1.823 15.927 2.931 1.00 0.00 ATOM 112 CG LYS A 15 1.215 17.007 3.811 1.00 0.00 ATOM 113 CD LYS A 15 2.265 17.648 4.704 1.00 0.00 ATOM 114 CE LYS A 15 1.658 18.731 5.581 1.00 0.00 ATOM 115 NZ LYS A 15 2.675 19.366 6.463 1.00 0.00 ATOM 116 O LYS A 15 2.404 15.267 0.214 1.00 0.00 ATOM 117 C LYS A 15 1.717 14.572 0.962 1.00 0.00 ATOM 118 N GLY A 16 1.742 13.239 0.877 1.00 0.00 ATOM 119 CA GLY A 16 2.399 12.571 -0.236 1.00 0.00 ATOM 120 O GLY A 16 0.934 13.555 -1.855 1.00 0.00 ATOM 121 C GLY A 16 1.441 12.516 -1.422 1.00 0.00 ATOM 122 N PRO A 17 1.147 11.348 -1.995 1.00 0.00 ATOM 123 CA PRO A 17 -0.071 11.142 -2.767 1.00 0.00 ATOM 124 CB PRO A 17 0.428 10.939 -4.199 1.00 0.00 ATOM 125 CG PRO A 17 1.805 10.387 -4.040 1.00 0.00 ATOM 126 CD PRO A 17 2.377 11.040 -2.813 1.00 0.00 ATOM 127 O PRO A 17 -0.472 8.830 -2.187 1.00 0.00 ATOM 128 C PRO A 17 -0.943 9.952 -2.375 1.00 0.00 ATOM 129 N LEU A 18 -2.251 10.207 -2.250 1.00 0.00 ATOM 130 CA LEU A 18 -3.250 9.146 -2.207 1.00 0.00 ATOM 131 CB LEU A 18 -4.649 9.735 -2.018 1.00 0.00 ATOM 132 CG LEU A 18 -5.782 8.732 -1.790 1.00 0.00 ATOM 133 CD1 LEU A 18 -5.542 7.928 -0.522 1.00 0.00 ATOM 134 CD2 LEU A 18 -7.116 9.449 -1.653 1.00 0.00 ATOM 135 O LEU A 18 -3.858 8.707 -4.502 1.00 0.00 ATOM 136 C LEU A 18 -3.280 8.310 -3.485 1.00 0.00 ATOM 137 N VAL A 19 -2.649 7.129 -3.444 1.00 0.00 ATOM 138 CA VAL A 19 -2.474 6.303 -4.634 1.00 0.00 ATOM 139 CB VAL A 19 -1.019 5.819 -4.776 1.00 0.00 ATOM 140 CG1 VAL A 19 -0.869 4.937 -6.006 1.00 0.00 ATOM 141 CG2 VAL A 19 -0.075 7.003 -4.915 1.00 0.00 ATOM 142 O VAL A 19 -3.143 4.070 -3.924 1.00 0.00 ATOM 143 C VAL A 19 -3.341 5.050 -4.644 1.00 0.00 ATOM 144 N PHE A 20 -4.333 5.140 -5.521 1.00 0.00 ATOM 145 CA PHE A 20 -5.125 4.008 -5.974 1.00 0.00 ATOM 146 CB PHE A 20 -6.487 3.994 -5.277 1.00 0.00 ATOM 147 CG PHE A 20 -6.402 3.853 -3.784 1.00 0.00 ATOM 148 CD1 PHE A 20 -6.470 4.967 -2.965 1.00 0.00 ATOM 149 CD2 PHE A 20 -6.255 2.608 -3.199 1.00 0.00 ATOM 150 CE1 PHE A 20 -6.393 4.838 -1.591 1.00 0.00 ATOM 151 CE2 PHE A 20 -6.177 2.479 -1.825 1.00 0.00 ATOM 152 CZ PHE A 20 -6.245 3.587 -1.022 1.00 0.00 ATOM 153 O PHE A 20 -4.599 5.174 -8.001 1.00 0.00 ATOM 154 C PHE A 20 -5.245 4.261 -7.480 1.00 0.00 ATOM 155 N ASP A 21 -6.053 3.485 -8.213 1.00 0.00 ATOM 156 CA ASP A 21 -6.747 3.973 -9.414 1.00 0.00 ATOM 157 CB ASP A 21 -7.693 5.121 -9.057 1.00 0.00 ATOM 158 CG ASP A 21 -8.492 5.610 -10.249 1.00 0.00 ATOM 159 OD1 ASP A 21 -8.240 5.125 -11.372 1.00 0.00 ATOM 160 OD2 ASP A 21 -9.369 6.479 -10.060 1.00 0.00 ATOM 161 O ASP A 21 -5.391 5.629 -10.550 1.00 0.00 ATOM 162 C ASP A 21 -5.965 4.538 -10.606 1.00 0.00 ATOM 163 N LYS A 22 -5.933 3.793 -11.714 1.00 0.00 ATOM 164 CA LYS A 22 -5.203 4.203 -12.909 1.00 0.00 ATOM 165 CB LYS A 22 -3.979 3.310 -13.122 1.00 0.00 ATOM 166 CG LYS A 22 -2.920 3.441 -12.040 1.00 0.00 ATOM 167 CD LYS A 22 -1.724 2.547 -12.326 1.00 0.00 ATOM 168 CE LYS A 22 -0.668 2.672 -11.240 1.00 0.00 ATOM 169 NZ LYS A 22 0.522 1.823 -11.522 1.00 0.00 ATOM 170 O LYS A 22 -7.018 3.351 -14.242 1.00 0.00 ATOM 171 C LYS A 22 -6.057 4.116 -14.170 1.00 0.00 ATOM 172 N SER A 23 -5.687 4.919 -15.170 1.00 0.00 ATOM 173 CA SER A 23 -6.199 4.781 -16.523 1.00 0.00 ATOM 174 CB SER A 23 -7.116 5.955 -16.871 1.00 0.00 ATOM 175 OG SER A 23 -6.403 7.180 -16.862 1.00 0.00 ATOM 176 O SER A 23 -3.970 5.324 -17.263 1.00 0.00 ATOM 177 C SER A 23 -5.038 4.753 -17.511 1.00 0.00 ATOM 178 N LYS A 24 -5.235 4.083 -18.647 1.00 0.00 ATOM 179 CA LYS A 24 -4.244 4.067 -19.711 1.00 0.00 ATOM 180 CB LYS A 24 -4.336 2.765 -20.509 1.00 0.00 ATOM 181 CG LYS A 24 -3.946 1.525 -19.722 1.00 0.00 ATOM 182 CD LYS A 24 -4.095 0.267 -20.562 1.00 0.00 ATOM 183 CE LYS A 24 -3.745 -0.976 -19.762 1.00 0.00 ATOM 184 NZ LYS A 24 -3.891 -2.217 -20.572 1.00 0.00 ATOM 185 O LYS A 24 -5.580 5.521 -21.083 1.00 0.00 ATOM 186 C LYS A 24 -4.453 5.226 -20.672 1.00 0.00 ATOM 187 N ASP A 25 -3.357 5.894 -21.034 1.00 0.00 ATOM 188 CA ASP A 25 -3.387 6.880 -22.101 1.00 0.00 ATOM 189 CB ASP A 25 -2.650 8.152 -21.676 1.00 0.00 ATOM 190 CG ASP A 25 -2.708 9.239 -22.731 1.00 0.00 ATOM 191 OD1 ASP A 25 -3.283 8.988 -23.812 1.00 0.00 ATOM 192 OD2 ASP A 25 -2.179 10.342 -22.478 1.00 0.00 ATOM 193 O ASP A 25 -1.541 5.824 -23.203 1.00 0.00 ATOM 194 C ASP A 25 -2.700 6.240 -23.295 1.00 0.00 ATOM 195 N GLU A 26 -3.412 6.160 -24.419 1.00 0.00 ATOM 196 CA GLU A 26 -2.901 5.481 -25.599 1.00 0.00 ATOM 197 CB GLU A 26 -4.054 4.946 -26.451 1.00 0.00 ATOM 198 CG GLU A 26 -4.888 3.877 -25.765 1.00 0.00 ATOM 199 CD GLU A 26 -5.967 3.312 -26.668 1.00 0.00 ATOM 200 OE1 GLU A 26 -6.693 4.109 -27.298 1.00 0.00 ATOM 201 OE2 GLU A 26 -6.086 2.071 -26.747 1.00 0.00 ATOM 202 O GLU A 26 -1.919 7.603 -26.176 1.00 0.00 ATOM 203 C GLU A 26 -2.069 6.417 -26.474 1.00 0.00 ATOM 204 N LEU A 27 -1.516 5.884 -27.569 1.00 0.00 ATOM 205 CA LEU A 27 -0.825 6.681 -28.579 1.00 0.00 ATOM 206 CB LEU A 27 -0.203 5.775 -29.643 1.00 0.00 ATOM 207 CG LEU A 27 0.971 4.904 -29.190 1.00 0.00 ATOM 208 CD1 LEU A 27 1.381 3.939 -30.291 1.00 0.00 ATOM 209 CD2 LEU A 27 2.175 5.765 -28.839 1.00 0.00 ATOM 210 O LEU A 27 -1.291 8.748 -29.722 1.00 0.00 ATOM 211 C LEU A 27 -1.725 7.667 -29.322 1.00 0.00 ATOM 212 N ILE A 28 -2.995 7.293 -29.510 1.00 0.00 ATOM 213 CA ILE A 28 -3.931 8.059 -30.326 1.00 0.00 ATOM 214 CB ILE A 28 -4.764 7.142 -31.241 1.00 0.00 ATOM 215 CG1 ILE A 28 -5.602 6.173 -30.404 1.00 0.00 ATOM 216 CG2 ILE A 28 -3.855 6.331 -32.152 1.00 0.00 ATOM 217 CD1 ILE A 28 -6.627 5.402 -31.207 1.00 0.00 ATOM 218 O ILE A 28 -4.730 9.073 -28.303 1.00 0.00 ATOM 219 C ILE A 28 -4.933 8.870 -29.501 1.00 0.00 ATOM 220 N CYS A 29 -6.033 9.359 -30.092 1.00 0.00 ATOM 221 CA CYS A 29 -6.931 10.300 -29.433 1.00 0.00 ATOM 222 CB CYS A 29 -7.683 11.138 -30.469 1.00 0.00 ATOM 223 SG CYS A 29 -6.625 12.192 -31.487 1.00 0.00 ATOM 224 O CYS A 29 -8.998 10.363 -28.203 1.00 0.00 ATOM 225 C CYS A 29 -8.019 9.698 -28.537 1.00 0.00 ATOM 226 N LYS A 30 -7.875 8.433 -28.129 1.00 0.00 ATOM 227 CA LYS A 30 -8.821 7.778 -27.232 1.00 0.00 ATOM 228 CB LYS A 30 -9.459 6.568 -27.917 1.00 0.00 ATOM 229 CG LYS A 30 -10.332 6.920 -29.111 1.00 0.00 ATOM 230 CD LYS A 30 -10.873 5.670 -29.786 1.00 0.00 ATOM 231 CE LYS A 30 -11.746 6.022 -30.980 1.00 0.00 ATOM 232 NZ LYS A 30 -12.270 4.806 -31.662 1.00 0.00 ATOM 233 O LYS A 30 -6.867 7.294 -25.919 1.00 0.00 ATOM 234 C LYS A 30 -8.099 7.306 -25.975 1.00 0.00 ATOM 235 N GLY A 31 -8.856 6.911 -24.949 1.00 0.00 ATOM 236 CA GLY A 31 -8.281 6.512 -23.676 1.00 0.00 ATOM 237 O GLY A 31 -9.229 4.340 -24.040 1.00 0.00 ATOM 238 C GLY A 31 -8.867 5.186 -23.219 1.00 0.00 ATOM 239 N ASP A 32 -8.965 4.994 -21.903 1.00 0.00 ATOM 240 CA ASP A 32 -9.498 3.766 -21.332 1.00 0.00 ATOM 241 CB ASP A 32 -8.365 2.792 -21.004 1.00 0.00 ATOM 242 CG ASP A 32 -8.842 1.357 -20.901 1.00 0.00 ATOM 243 OD1 ASP A 32 -10.040 1.109 -21.155 1.00 0.00 ATOM 244 OD2 ASP A 32 -8.019 0.479 -20.565 1.00 0.00 ATOM 245 O ASP A 32 -10.065 5.177 -19.477 1.00 0.00 ATOM 246 C ASP A 32 -10.257 4.104 -20.052 1.00 0.00 ATOM 247 N ARG A 33 -11.120 3.187 -19.605 1.00 0.00 ATOM 248 CA ARG A 33 -11.848 3.311 -18.346 1.00 0.00 ATOM 249 CB ARG A 33 -12.840 2.157 -18.185 1.00 0.00 ATOM 250 CG ARG A 33 -14.000 2.194 -19.166 1.00 0.00 ATOM 251 CD ARG A 33 -14.891 0.972 -19.014 1.00 0.00 ATOM 252 NE ARG A 33 -14.196 -0.261 -19.378 1.00 0.00 ATOM 253 CZ ARG A 33 -14.654 -1.481 -19.116 1.00 0.00 ATOM 254 NH1 ARG A 33 -13.953 -2.545 -19.485 1.00 0.00 ATOM 255 NH2 ARG A 33 -15.810 -1.635 -18.487 1.00 0.00 ATOM 256 O ARG A 33 -9.780 2.845 -17.200 1.00 0.00 ATOM 257 C ARG A 33 -10.927 3.291 -17.126 1.00 0.00 ATOM 258 N LEU A 34 -11.436 3.780 -15.990 1.00 0.00 ATOM 259 CA LEU A 34 -10.679 3.830 -14.746 1.00 0.00 ATOM 260 CB LEU A 34 -11.222 4.931 -13.832 1.00 0.00 ATOM 261 CG LEU A 34 -11.097 6.365 -14.350 1.00 0.00 ATOM 262 CD1 LEU A 34 -11.782 7.339 -13.405 1.00 0.00 ATOM 263 CD2 LEU A 34 -9.635 6.767 -14.470 1.00 0.00 ATOM 264 O LEU A 34 -11.860 1.946 -13.865 1.00 0.00 ATOM 265 C LEU A 34 -10.769 2.507 -14.001 1.00 0.00 ATOM 266 N ALA A 35 -9.638 1.992 -13.512 1.00 0.00 ATOM 267 CA ALA A 35 -9.637 0.750 -12.756 1.00 0.00 ATOM 268 CB ALA A 35 -9.307 -0.424 -13.665 1.00 0.00 ATOM 269 O ALA A 35 -7.594 1.400 -11.633 1.00 0.00 ATOM 270 C ALA A 35 -8.625 0.721 -11.619 1.00 0.00 ATOM 271 N PHE A 36 -8.943 -0.093 -10.611 1.00 0.00 ATOM 272 CA PHE A 36 -8.046 -0.373 -9.501 1.00 0.00 ATOM 273 CB PHE A 36 -8.813 -0.367 -8.177 1.00 0.00 ATOM 274 CG PHE A 36 -9.336 0.986 -7.786 1.00 0.00 ATOM 275 CD1 PHE A 36 -10.616 1.378 -8.139 1.00 0.00 ATOM 276 CD2 PHE A 36 -8.549 1.867 -7.066 1.00 0.00 ATOM 277 CE1 PHE A 36 -11.097 2.622 -7.779 1.00 0.00 ATOM 278 CE2 PHE A 36 -9.030 3.111 -6.706 1.00 0.00 ATOM 279 CZ PHE A 36 -10.298 3.490 -7.059 1.00 0.00 ATOM 280 O PHE A 36 -8.203 -2.669 -10.128 1.00 0.00 ATOM 281 C PHE A 36 -7.452 -1.756 -9.774 1.00 0.00 ATOM 282 N PRO A 37 -6.139 -1.990 -9.636 1.00 0.00 ATOM 283 CA PRO A 37 -5.523 -3.291 -9.897 1.00 0.00 ATOM 284 CB PRO A 37 -4.028 -2.979 -9.997 1.00 0.00 ATOM 285 CG PRO A 37 -3.848 -1.746 -9.177 1.00 0.00 ATOM 286 CD PRO A 37 -5.110 -0.947 -9.344 1.00 0.00 ATOM 287 O PRO A 37 -5.749 -5.576 -9.192 1.00 0.00 ATOM 288 C PRO A 37 -5.721 -4.390 -8.855 1.00 0.00 ATOM 289 N ILE A 38 -5.860 -4.018 -7.578 1.00 0.00 ATOM 290 CA ILE A 38 -5.735 -4.974 -6.485 1.00 0.00 ATOM 291 CB ILE A 38 -5.019 -4.353 -5.271 1.00 0.00 ATOM 292 CG1 ILE A 38 -3.591 -3.948 -5.644 1.00 0.00 ATOM 293 CG2 ILE A 38 -4.953 -5.350 -4.124 1.00 0.00 ATOM 294 CD1 ILE A 38 -2.882 -3.153 -4.570 1.00 0.00 ATOM 295 O ILE A 38 -7.420 -6.639 -6.089 1.00 0.00 ATOM 296 C ILE A 38 -7.112 -5.449 -6.022 1.00 0.00 ATOM 297 N LYS A 39 -7.974 -4.540 -5.543 1.00 0.00 ATOM 298 CA LYS A 39 -9.383 -4.842 -5.320 1.00 0.00 ATOM 299 CB LYS A 39 -10.065 -3.694 -4.573 1.00 0.00 ATOM 300 CG LYS A 39 -11.522 -3.957 -4.229 1.00 0.00 ATOM 301 CD LYS A 39 -12.105 -2.827 -3.395 1.00 0.00 ATOM 302 CE LYS A 39 -13.566 -3.083 -3.064 1.00 0.00 ATOM 303 NZ LYS A 39 -14.146 -1.992 -2.232 1.00 0.00 ATOM 304 O LYS A 39 -10.554 -4.107 -7.317 1.00 0.00 ATOM 305 C LYS A 39 -10.056 -5.038 -6.680 1.00 0.00 ATOM 306 N ASP A 40 -10.053 -6.300 -7.107 1.00 0.00 ATOM 307 CA ASP A 40 -10.578 -6.690 -8.412 1.00 0.00 ATOM 308 CB ASP A 40 -9.640 -7.691 -9.090 1.00 0.00 ATOM 309 CG ASP A 40 -8.277 -7.100 -9.391 1.00 0.00 ATOM 310 OD1 ASP A 40 -8.223 -6.002 -9.984 1.00 0.00 ATOM 311 OD2 ASP A 40 -7.262 -7.734 -9.033 1.00 0.00 ATOM 312 O ASP A 40 -12.635 -7.406 -9.410 1.00 0.00 ATOM 313 C ASP A 40 -11.951 -7.353 -8.387 1.00 0.00 ATOM 314 N GLY A 41 -12.375 -7.866 -7.227 1.00 0.00 ATOM 315 CA GLY A 41 -13.740 -8.345 -7.051 1.00 0.00 ATOM 316 O GLY A 41 -14.541 -10.419 -7.966 1.00 0.00 ATOM 317 C GLY A 41 -13.861 -9.862 -7.106 1.00 0.00 ATOM 318 N ILE A 42 -13.191 -10.546 -6.176 1.00 0.00 ATOM 319 CA ILE A 42 -13.169 -12.007 -6.126 1.00 0.00 ATOM 320 CB ILE A 42 -11.742 -12.543 -5.908 1.00 0.00 ATOM 321 CG1 ILE A 42 -11.162 -11.999 -4.600 1.00 0.00 ATOM 322 CG2 ILE A 42 -10.833 -12.119 -7.051 1.00 0.00 ATOM 323 CD1 ILE A 42 -9.871 -12.666 -4.181 1.00 0.00 ATOM 324 O ILE A 42 -13.557 -13.376 -4.181 1.00 0.00 ATOM 325 C ILE A 42 -14.033 -12.580 -4.989 1.00 0.00 ATOM 326 N PRO A 43 -15.319 -12.211 -4.872 1.00 0.00 ATOM 327 CA PRO A 43 -16.126 -12.230 -3.640 1.00 0.00 ATOM 328 CB PRO A 43 -17.133 -13.358 -3.874 1.00 0.00 ATOM 329 CG PRO A 43 -17.245 -13.456 -5.359 1.00 0.00 ATOM 330 CD PRO A 43 -15.869 -13.185 -5.900 1.00 0.00 ATOM 331 O PRO A 43 -16.195 -13.047 -1.362 1.00 0.00 ATOM 332 C PRO A 43 -15.542 -12.481 -2.240 1.00 0.00 ATOM 333 N MET A 44 -14.295 -12.061 -2.012 1.00 0.00 ATOM 334 CA MET A 44 -13.583 -12.317 -0.777 1.00 0.00 ATOM 335 CB MET A 44 -12.639 -13.510 -0.940 1.00 0.00 ATOM 336 CG MET A 44 -11.922 -13.913 0.338 1.00 0.00 ATOM 337 SD MET A 44 -10.864 -15.357 0.117 1.00 0.00 ATOM 338 CE MET A 44 -12.090 -16.656 -0.023 1.00 0.00 ATOM 339 O MET A 44 -12.032 -10.523 -1.230 1.00 0.00 ATOM 340 C MET A 44 -12.777 -11.079 -0.420 1.00 0.00 ATOM 341 N MET A 45 -12.947 -10.656 0.833 1.00 0.00 ATOM 342 CA MET A 45 -12.133 -9.596 1.405 1.00 0.00 ATOM 343 CB MET A 45 -12.794 -9.034 2.665 1.00 0.00 ATOM 344 CG MET A 45 -14.124 -8.343 2.414 1.00 0.00 ATOM 345 SD MET A 45 -14.758 -7.500 3.876 1.00 0.00 ATOM 346 CE MET A 45 -15.078 -8.892 4.957 1.00 0.00 ATOM 347 O MET A 45 -10.539 -10.684 2.860 1.00 0.00 ATOM 348 C MET A 45 -10.754 -10.133 1.777 1.00 0.00 ATOM 349 N LEU A 46 -9.802 -9.965 0.854 1.00 0.00 ATOM 350 CA LEU A 46 -8.400 -10.312 1.081 1.00 0.00 ATOM 351 CB LEU A 46 -7.609 -10.227 -0.226 1.00 0.00 ATOM 352 CG LEU A 46 -7.979 -11.241 -1.310 1.00 0.00 ATOM 353 CD1 LEU A 46 -7.209 -10.962 -2.592 1.00 0.00 ATOM 354 CD2 LEU A 46 -7.653 -12.656 -0.857 1.00 0.00 ATOM 355 O LEU A 46 -7.907 -8.144 1.919 1.00 0.00 ATOM 356 C LEU A 46 -7.771 -9.358 2.088 1.00 0.00 ATOM 357 N GLU A 47 -7.094 -9.891 3.116 1.00 0.00 ATOM 358 CA GLU A 47 -6.268 -9.179 4.103 1.00 0.00 ATOM 359 CB GLU A 47 -4.796 -9.564 3.947 1.00 0.00 ATOM 360 CG GLU A 47 -3.874 -8.923 4.972 1.00 0.00 ATOM 361 CD GLU A 47 -2.433 -9.369 4.820 1.00 0.00 ATOM 362 OE1 GLU A 47 -2.156 -10.183 3.914 1.00 0.00 ATOM 363 OE2 GLU A 47 -1.582 -8.904 5.606 1.00 0.00 ATOM 364 O GLU A 47 -6.989 -7.018 4.856 1.00 0.00 ATOM 365 C GLU A 47 -6.227 -7.639 4.118 1.00 0.00 ATOM 366 N SER A 48 -5.366 -6.976 3.331 1.00 0.00 ATOM 367 CA SER A 48 -5.320 -5.519 3.239 1.00 0.00 ATOM 368 CB SER A 48 -3.876 -5.037 3.087 1.00 0.00 ATOM 369 OG SER A 48 -3.308 -5.501 1.875 1.00 0.00 ATOM 370 O SER A 48 -6.219 -3.742 1.846 1.00 0.00 ATOM 371 C SER A 48 -6.102 -4.950 2.049 1.00 0.00 ATOM 372 N GLU A 49 -6.656 -5.844 1.231 1.00 0.00 ATOM 373 CA GLU A 49 -7.437 -5.497 0.051 1.00 0.00 ATOM 374 CB GLU A 49 -7.343 -6.606 -0.999 1.00 0.00 ATOM 375 CG GLU A 49 -5.952 -6.792 -1.582 1.00 0.00 ATOM 376 CD GLU A 49 -5.893 -7.913 -2.602 1.00 0.00 ATOM 377 OE1 GLU A 49 -6.919 -8.601 -2.788 1.00 0.00 ATOM 378 OE2 GLU A 49 -4.821 -8.103 -3.214 1.00 0.00 ATOM 379 O GLU A 49 -9.719 -4.788 -0.328 1.00 0.00 ATOM 380 C GLU A 49 -8.904 -5.308 0.437 1.00 0.00 ATOM 381 N ALA A 50 -9.231 -5.746 1.656 1.00 0.00 ATOM 382 CA ALA A 50 -10.441 -5.357 2.354 1.00 0.00 ATOM 383 CB ALA A 50 -10.699 -6.289 3.528 1.00 0.00 ATOM 384 O ALA A 50 -9.216 -3.360 2.927 1.00 0.00 ATOM 385 C ALA A 50 -10.305 -3.934 2.881 1.00 0.00 ATOM 386 N ARG A 51 -11.426 -3.344 3.289 1.00 0.00 ATOM 387 CA ARG A 51 -11.419 -2.003 3.840 1.00 0.00 ATOM 388 CB ARG A 51 -12.396 -1.105 3.078 1.00 0.00 ATOM 389 CG ARG A 51 -12.379 0.348 3.522 1.00 0.00 ATOM 390 CD ARG A 51 -13.318 1.194 2.678 1.00 0.00 ATOM 391 NE ARG A 51 -13.289 2.601 3.071 1.00 0.00 ATOM 392 CZ ARG A 51 -14.106 3.530 2.583 1.00 0.00 ATOM 393 NH1 ARG A 51 -14.006 4.785 2.999 1.00 0.00 ATOM 394 NH2 ARG A 51 -15.020 3.201 1.681 1.00 0.00 ATOM 395 O ARG A 51 -12.959 -2.583 5.553 1.00 0.00 ATOM 396 C ARG A 51 -11.839 -2.146 5.285 1.00 0.00 ATOM 397 N GLU A 52 -10.945 -1.780 6.214 1.00 0.00 ATOM 398 CA GLU A 52 -11.148 -1.960 7.653 1.00 0.00 ATOM 399 CB GLU A 52 -10.188 -1.070 8.445 1.00 0.00 ATOM 400 CG GLU A 52 -10.252 -1.273 9.950 1.00 0.00 ATOM 401 CD GLU A 52 -9.228 -0.439 10.695 1.00 0.00 ATOM 402 OE1 GLU A 52 -8.481 0.312 10.034 1.00 0.00 ATOM 403 OE2 GLU A 52 -9.174 -0.537 11.939 1.00 0.00 ATOM 404 O GLU A 52 -12.902 -2.201 9.280 1.00 0.00 ATOM 405 C GLU A 52 -12.522 -1.644 8.247 1.00 0.00 ATOM 406 N LEU A 53 -13.268 -0.746 7.592 1.00 0.00 ATOM 407 CA LEU A 53 -14.646 -0.428 7.936 1.00 0.00 ATOM 408 CB LEU A 53 -15.220 0.597 6.956 1.00 0.00 ATOM 409 CG LEU A 53 -16.674 1.015 7.186 1.00 0.00 ATOM 410 CD1 LEU A 53 -16.833 1.679 8.545 1.00 0.00 ATOM 411 CD2 LEU A 53 -17.125 2.001 6.119 1.00 0.00 ATOM 412 O LEU A 53 -16.269 -1.916 8.863 1.00 0.00 ATOM 413 C LEU A 53 -15.550 -1.659 7.897 1.00 0.00 ATOM 414 N ALA A 54 -15.543 -2.440 6.808 1.00 0.00 ATOM 415 CA ALA A 54 -16.431 -3.590 6.698 1.00 0.00 ATOM 416 CB ALA A 54 -16.505 -4.067 5.256 1.00 0.00 ATOM 417 O ALA A 54 -16.870 -5.363 8.191 1.00 0.00 ATOM 418 C ALA A 54 -15.993 -4.794 7.538 1.00 0.00 ATOM 419 N PRO A 55 -14.722 -5.253 7.598 1.00 0.00 ATOM 420 CA PRO A 55 -14.234 -6.165 8.633 1.00 0.00 ATOM 421 CB PRO A 55 -12.720 -6.197 8.415 1.00 0.00 ATOM 422 CG PRO A 55 -12.549 -5.969 6.950 1.00 0.00 ATOM 423 CD PRO A 55 -13.555 -4.919 6.571 1.00 0.00 ATOM 424 O PRO A 55 -15.085 -6.600 10.796 1.00 0.00 ATOM 425 C PRO A 55 -14.517 -5.775 10.077 1.00 0.00 ATOM 426 N GLU A 56 -14.154 -4.567 10.545 1.00 0.00 ATOM 427 CA GLU A 56 -14.446 -4.158 11.918 1.00 0.00 ATOM 428 CB GLU A 56 -13.959 -2.729 12.166 1.00 0.00 ATOM 429 CG GLU A 56 -14.182 -2.236 13.587 1.00 0.00 ATOM 430 CD GLU A 56 -13.657 -0.830 13.804 1.00 0.00 ATOM 431 OE1 GLU A 56 -13.107 -0.246 12.846 1.00 0.00 ATOM 432 OE2 GLU A 56 -13.796 -0.312 14.932 1.00 0.00 ATOM 433 O GLU A 56 -16.297 -4.677 13.334 1.00 0.00 ATOM 434 C GLU A 56 -15.928 -4.180 12.268 1.00 0.00 ATOM 435 N GLU A 57 -16.779 -3.647 11.379 1.00 0.00 ATOM 436 CA GLU A 57 -18.224 -3.765 11.530 1.00 0.00 ATOM 437 CB GLU A 57 -18.941 -3.124 10.340 1.00 0.00 ATOM 438 CG GLU A 57 -20.458 -3.161 10.436 1.00 0.00 ATOM 439 CD GLU A 57 -21.133 -2.488 9.257 1.00 0.00 ATOM 440 OE1 GLU A 57 -20.413 -1.981 8.371 1.00 0.00 ATOM 441 OE2 GLU A 57 -22.381 -2.468 9.220 1.00 0.00 ATOM 442 O GLU A 57 -19.400 -5.566 12.549 1.00 0.00 ATOM 443 C GLU A 57 -18.682 -5.214 11.612 1.00 0.00 ATOM 444 N GLU A 58 -18.289 -6.071 10.659 1.00 0.00 ATOM 445 CA GLU A 58 -18.701 -7.470 10.653 1.00 0.00 ATOM 446 CB GLU A 58 -18.185 -8.175 9.397 1.00 0.00 ATOM 447 CG GLU A 58 -18.879 -7.746 8.115 1.00 0.00 ATOM 448 CD GLU A 58 -18.279 -8.394 6.883 1.00 0.00 ATOM 449 OE1 GLU A 58 -17.276 -9.124 7.024 1.00 0.00 ATOM 450 OE2 GLU A 58 -18.812 -8.172 5.775 1.00 0.00 ATOM 451 O GLU A 58 -18.937 -9.211 12.258 1.00 0.00 ATOM 452 C GLU A 58 -18.215 -8.316 11.823 1.00 0.00 ATOM 453 N VAL A 59 -17.010 -8.062 12.349 1.00 0.00 ATOM 454 CA VAL A 59 -16.528 -8.723 13.561 1.00 0.00 ATOM 455 CB VAL A 59 -15.083 -8.307 13.894 1.00 0.00 ATOM 456 CG1 VAL A 59 -14.674 -8.846 15.257 1.00 0.00 ATOM 457 CG2 VAL A 59 -14.118 -8.852 12.852 1.00 0.00 ATOM 458 O VAL A 59 -17.796 -9.227 15.540 1.00 0.00 ATOM 459 C VAL A 59 -17.411 -8.358 14.757 1.00 0.00 ATOM 460 N LYS A 60 -17.745 -7.070 14.916 1.00 0.00 ATOM 461 CA LYS A 60 -18.652 -6.645 15.976 1.00 0.00 ATOM 462 CB LYS A 60 -18.720 -5.118 16.043 1.00 0.00 ATOM 463 CG LYS A 60 -17.450 -4.463 16.560 1.00 0.00 ATOM 464 CD LYS A 60 -17.588 -2.950 16.605 1.00 0.00 ATOM 465 CE LYS A 60 -16.306 -2.292 17.090 1.00 0.00 ATOM 466 NZ LYS A 60 -16.419 -0.808 17.117 1.00 0.00 ATOM 467 O LYS A 60 -20.744 -7.510 16.760 1.00 0.00 ATOM 468 C LYS A 60 -20.080 -7.146 15.784 1.00 0.00 ATOM 469 N LEU A 61 -20.582 -7.179 14.543 1.00 0.00 ATOM 470 CA LEU A 61 -21.856 -7.813 14.220 1.00 0.00 ATOM 471 CB LEU A 61 -22.167 -7.661 12.730 1.00 0.00 ATOM 472 CG LEU A 61 -22.503 -6.248 12.248 1.00 0.00 ATOM 473 CD1 LEU A 61 -22.611 -6.209 10.731 1.00 0.00 ATOM 474 CD2 LEU A 61 -23.827 -5.781 12.831 1.00 0.00 ATOM 475 O LEU A 61 -22.880 -9.831 14.988 1.00 0.00 ATOM 476 C LEU A 61 -21.862 -9.304 14.537 1.00 0.00 ATOM 477 N GLU A 62 -20.750 -10.019 14.317 1.00 0.00 ATOM 478 CA GLU A 62 -20.630 -11.411 14.736 1.00 0.00 ATOM 479 CB GLU A 62 -19.263 -11.974 14.340 1.00 0.00 ATOM 480 CG GLU A 62 -19.068 -13.438 14.699 1.00 0.00 ATOM 481 CD GLU A 62 -17.717 -13.969 14.262 1.00 0.00 ATOM 482 OE1 GLU A 62 -16.938 -13.195 13.667 1.00 0.00 ATOM 483 OE2 GLU A 62 -17.436 -15.159 14.515 1.00 0.00 ATOM 484 O GLU A 62 -21.569 -12.355 16.727 1.00 0.00 ATOM 485 C GLU A 62 -20.779 -11.538 16.252 1.00 0.00 ATOM 486 N HIS A 63 -20.025 -10.737 17.014 1.00 0.00 ATOM 487 CA HIS A 63 -20.062 -10.787 18.471 1.00 0.00 ATOM 488 CB HIS A 63 -19.034 -9.823 19.066 1.00 0.00 ATOM 489 CG HIS A 63 -19.048 -9.773 20.563 1.00 0.00 ATOM 490 CD2 HIS A 63 -19.514 -8.827 21.566 1.00 0.00 ATOM 491 ND1 HIS A 63 -18.536 -10.785 21.346 1.00 0.00 ATOM 492 CE1 HIS A 63 -18.691 -10.457 22.641 1.00 0.00 ATOM 493 NE2 HIS A 63 -19.277 -9.283 22.780 1.00 0.00 ATOM 494 O HIS A 63 -21.962 -11.138 19.901 1.00 0.00 ATOM 495 C HIS A 63 -21.415 -10.407 19.071 1.00 0.00 ATOM 496 N HIS A 64 -21.966 -9.263 18.658 1.00 0.00 ATOM 497 CA HIS A 64 -23.169 -8.717 19.271 1.00 0.00 ATOM 498 CB HIS A 64 -23.133 -7.188 19.252 1.00 0.00 ATOM 499 CG HIS A 64 -22.065 -6.597 20.119 1.00 0.00 ATOM 500 CD2 HIS A 64 -20.791 -5.932 19.889 1.00 0.00 ATOM 501 ND1 HIS A 64 -22.140 -6.595 21.495 1.00 0.00 ATOM 502 CE1 HIS A 64 -21.041 -6.000 21.993 1.00 0.00 ATOM 503 NE2 HIS A 64 -20.228 -5.599 21.035 1.00 0.00 ATOM 504 O HIS A 64 -25.543 -8.991 19.261 1.00 0.00 ATOM 505 C HIS A 64 -24.496 -9.095 18.621 1.00 0.00 ATOM 506 N HIS A 65 -24.496 -9.535 17.359 1.00 0.00 ATOM 507 CA HIS A 65 -25.730 -9.865 16.655 1.00 0.00 ATOM 508 CB HIS A 65 -25.848 -9.046 15.368 1.00 0.00 ATOM 509 CG HIS A 65 -25.993 -7.574 15.600 1.00 0.00 ATOM 510 CD2 HIS A 65 -27.099 -6.671 15.882 1.00 0.00 ATOM 511 ND1 HIS A 65 -24.921 -6.708 15.577 1.00 0.00 ATOM 512 CE1 HIS A 65 -25.361 -5.460 15.817 1.00 0.00 ATOM 513 NE2 HIS A 65 -26.667 -5.431 16.001 1.00 0.00 ATOM 514 O HIS A 65 -26.854 -11.963 16.424 1.00 0.00 ATOM 515 C HIS A 65 -25.801 -11.341 16.267 1.00 0.00 ATOM 516 N HIS A 66 -24.712 -11.936 15.762 1.00 0.00 ATOM 517 CA HIS A 66 -24.716 -13.328 15.319 1.00 0.00 ATOM 518 CB HIS A 66 -23.541 -13.593 14.375 1.00 0.00 ATOM 519 CG HIS A 66 -23.644 -12.875 13.066 1.00 0.00 ATOM 520 CD2 HIS A 66 -22.891 -11.823 12.397 1.00 0.00 ATOM 521 ND1 HIS A 66 -24.630 -13.146 12.143 1.00 0.00 ATOM 522 CE1 HIS A 66 -24.463 -12.346 11.075 1.00 0.00 ATOM 523 NE2 HIS A 66 -23.422 -11.549 11.221 1.00 0.00 ATOM 524 O HIS A 66 -25.297 -15.362 16.430 1.00 0.00 ATOM 525 C HIS A 66 -24.600 -14.349 16.452 1.00 0.00 ATOM 526 N HIS A 67 -23.737 -14.119 17.452 1.00 0.00 ATOM 527 CA HIS A 67 -23.558 -15.074 18.542 1.00 0.00 ATOM 528 CB HIS A 67 -22.263 -14.782 19.303 1.00 0.00 ATOM 529 CG HIS A 67 -22.004 -15.724 20.438 1.00 0.00 ATOM 530 CD2 HIS A 67 -22.026 -15.630 21.890 1.00 0.00 ATOM 531 ND1 HIS A 67 -21.645 -17.040 20.245 1.00 0.00 ATOM 532 CE1 HIS A 67 -21.481 -17.629 21.443 1.00 0.00 ATOM 533 NE2 HIS A 67 -21.709 -16.789 22.434 1.00 0.00 ATOM 534 O HIS A 67 -25.138 -16.146 19.996 1.00 0.00 ATOM 535 C HIS A 67 -24.670 -15.081 19.593 1.00 0.00 ATOM 536 N HIS A 68 -25.122 -13.914 20.063 1.00 0.00 ATOM 537 CA HIS A 68 -26.095 -13.854 21.153 1.00 0.00 ATOM 538 CB HIS A 68 -26.323 -12.405 21.588 1.00 0.00 ATOM 539 CG HIS A 68 -25.100 -11.740 22.138 1.00 0.00 ATOM 540 CD2 HIS A 68 -24.235 -10.647 21.717 1.00 0.00 ATOM 541 ND1 HIS A 68 -24.512 -12.125 23.323 1.00 0.00 ATOM 542 CE1 HIS A 68 -23.439 -11.347 23.552 1.00 0.00 ATOM 543 NE2 HIS A 68 -23.267 -10.459 22.593 1.00 0.00 ATOM 544 O HIS A 68 -27.328 -13.972 21.972 1.00 0.00 ATOM 545 C HIS A 68 -27.482 -14.414 20.833 1.00 0.00 ENDMDL