EXPDTA T0348TS109_1-scwrl MODEL 1 REMARK 44 REMARK 44 model 1 is called T0348TS109_1-scwrl ATOM 1 N MET A 1 -1.961 13.585 6.903 1.00 0.00 ATOM 2 CA MET A 1 -2.157 12.163 7.100 1.00 0.00 ATOM 3 CB MET A 1 -2.656 11.507 5.811 1.00 0.00 ATOM 4 CG MET A 1 -3.029 10.042 5.964 1.00 0.00 ATOM 5 SD MET A 1 -3.650 9.318 4.434 1.00 0.00 ATOM 6 CE MET A 1 -5.294 10.024 4.368 1.00 0.00 ATOM 7 O MET A 1 0.177 11.682 6.871 1.00 0.00 ATOM 8 C MET A 1 -0.858 11.481 7.505 1.00 0.00 ATOM 9 N ASP A 2 -0.911 10.676 8.570 1.00 0.00 ATOM 10 CA ASP A 2 0.238 9.909 9.006 1.00 0.00 ATOM 11 CB ASP A 2 1.068 10.711 10.010 1.00 0.00 ATOM 12 CG ASP A 2 2.340 9.994 10.419 1.00 0.00 ATOM 13 OD1 ASP A 2 2.583 8.880 9.911 1.00 0.00 ATOM 14 OD2 ASP A 2 3.093 10.547 11.249 1.00 0.00 ATOM 15 O ASP A 2 -0.049 7.538 9.099 1.00 0.00 ATOM 16 C ASP A 2 -0.188 8.612 9.677 1.00 0.00 ATOM 17 N ALA A 3 -0.706 8.718 10.902 1.00 0.00 ATOM 18 CA ALA A 3 -1.015 7.554 11.707 1.00 0.00 ATOM 19 CB ALA A 3 -1.353 7.969 13.131 1.00 0.00 ATOM 20 O ALA A 3 -2.244 5.566 11.186 1.00 0.00 ATOM 21 C ALA A 3 -2.209 6.792 11.137 1.00 0.00 ATOM 22 N LYS A 4 -3.177 7.529 10.589 1.00 0.00 ATOM 23 CA LYS A 4 -4.377 6.928 10.041 1.00 0.00 ATOM 24 CB LYS A 4 -5.346 8.010 9.559 1.00 0.00 ATOM 25 CG LYS A 4 -6.654 7.469 9.004 1.00 0.00 ATOM 26 CD LYS A 4 -7.595 8.596 8.611 1.00 0.00 ATOM 27 CE LYS A 4 -8.883 8.056 8.011 1.00 0.00 ATOM 28 NZ LYS A 4 -9.805 9.150 7.599 1.00 0.00 ATOM 29 O LYS A 4 -4.551 4.909 8.770 1.00 0.00 ATOM 30 C LYS A 4 -4.052 6.027 8.860 1.00 0.00 ATOM 31 N PHE A 5 -3.202 6.523 7.953 1.00 0.00 ATOM 32 CA PHE A 5 -2.759 5.737 6.816 1.00 0.00 ATOM 33 CB PHE A 5 -2.194 6.647 5.723 1.00 0.00 ATOM 34 CG PHE A 5 -1.837 5.923 4.456 1.00 0.00 ATOM 35 CD1 PHE A 5 -2.823 5.514 3.575 1.00 0.00 ATOM 36 CD2 PHE A 5 -0.516 5.651 4.146 1.00 0.00 ATOM 37 CE1 PHE A 5 -2.495 4.848 2.410 1.00 0.00 ATOM 38 CE2 PHE A 5 -0.188 4.985 2.980 1.00 0.00 ATOM 39 CZ PHE A 5 -1.171 4.584 2.113 1.00 0.00 ATOM 40 O PHE A 5 -1.547 3.683 6.630 1.00 0.00 ATOM 41 C PHE A 5 -1.672 4.752 7.220 1.00 0.00 ATOM 42 N LEU A 6 -0.880 5.123 8.232 1.00 0.00 ATOM 43 CA LEU A 6 0.161 4.256 8.744 1.00 0.00 ATOM 44 CB LEU A 6 0.964 4.969 9.834 1.00 0.00 ATOM 45 CG LEU A 6 2.068 4.151 10.507 1.00 0.00 ATOM 46 CD1 LEU A 6 3.134 3.753 9.498 1.00 0.00 ATOM 47 CD2 LEU A 6 2.736 4.955 11.612 1.00 0.00 ATOM 48 O LEU A 6 -0.133 1.883 8.885 1.00 0.00 ATOM 49 C LEU A 6 -0.427 2.987 9.344 1.00 0.00 ATOM 50 N GLU A 7 -1.261 3.144 10.374 1.00 0.00 ATOM 51 CA GLU A 7 -1.621 2.039 11.246 1.00 0.00 ATOM 52 CB GLU A 7 -2.712 2.466 12.230 1.00 0.00 ATOM 53 CG GLU A 7 -3.133 1.376 13.202 1.00 0.00 ATOM 54 CD GLU A 7 -4.185 1.848 14.186 1.00 0.00 ATOM 55 OE1 GLU A 7 -4.560 3.038 14.130 1.00 0.00 ATOM 56 OE2 GLU A 7 -4.635 1.027 15.014 1.00 0.00 ATOM 57 O GLU A 7 -1.734 -0.280 10.665 1.00 0.00 ATOM 58 C GLU A 7 -2.143 0.859 10.440 1.00 0.00 ATOM 59 N ILE A 8 -3.056 1.130 9.506 1.00 0.00 ATOM 60 CA ILE A 8 -3.601 0.095 8.647 1.00 0.00 ATOM 61 CB ILE A 8 -4.892 0.563 7.949 1.00 0.00 ATOM 62 CG1 ILE A 8 -5.987 0.837 8.981 1.00 0.00 ATOM 63 CG2 ILE A 8 -5.393 -0.503 6.987 1.00 0.00 ATOM 64 CD1 ILE A 8 -7.214 1.508 8.405 1.00 0.00 ATOM 65 O ILE A 8 -2.148 -1.436 7.527 1.00 0.00 ATOM 66 C ILE A 8 -2.612 -0.299 7.562 1.00 0.00 ATOM 67 N LEU A 9 -2.289 0.644 6.672 1.00 0.00 ATOM 68 CA LEU A 9 -1.503 0.349 5.498 1.00 0.00 ATOM 69 CB LEU A 9 -1.468 1.557 4.559 1.00 0.00 ATOM 70 CG LEU A 9 -0.644 1.397 3.280 1.00 0.00 ATOM 71 CD1 LEU A 9 -1.210 0.285 2.410 1.00 0.00 ATOM 72 CD2 LEU A 9 -0.653 2.685 2.471 1.00 0.00 ATOM 73 O LEU A 9 0.434 -1.067 5.527 1.00 0.00 ATOM 74 C LEU A 9 -0.065 -0.002 5.874 1.00 0.00 ATOM 75 N VAL A 10 0.604 0.911 6.586 1.00 0.00 ATOM 76 CA VAL A 10 2.042 1.032 6.516 1.00 0.00 ATOM 77 CB VAL A 10 2.740 -0.257 6.988 1.00 0.00 ATOM 78 CG1 VAL A 10 2.414 -0.535 8.448 1.00 0.00 ATOM 79 CG2 VAL A 10 2.283 -1.446 6.158 1.00 0.00 ATOM 80 O VAL A 10 1.900 2.109 4.384 1.00 0.00 ATOM 81 C VAL A 10 2.501 1.307 5.093 1.00 0.00 ATOM 82 N CYS A 11 3.577 0.637 4.672 1.00 0.00 ATOM 83 CA CYS A 11 4.031 0.700 3.296 1.00 0.00 ATOM 84 CB CYS A 11 2.871 0.426 2.336 1.00 0.00 ATOM 85 SG CYS A 11 2.319 -1.295 2.304 1.00 0.00 ATOM 86 O CYS A 11 3.992 2.843 2.231 1.00 0.00 ATOM 87 C CYS A 11 4.600 2.071 2.972 1.00 0.00 ATOM 88 N PRO A 12 5.772 2.375 3.533 1.00 0.00 ATOM 89 CA PRO A 12 6.062 3.711 4.027 1.00 0.00 ATOM 90 CB PRO A 12 7.200 3.497 5.027 1.00 0.00 ATOM 91 CG PRO A 12 7.952 2.324 4.492 1.00 0.00 ATOM 92 CD PRO A 12 6.920 1.395 3.917 1.00 0.00 ATOM 93 O PRO A 12 6.659 4.197 1.762 1.00 0.00 ATOM 94 C PRO A 12 6.484 4.638 2.896 1.00 0.00 ATOM 95 N LEU A 13 6.647 5.925 3.208 1.00 0.00 ATOM 96 CA LEU A 13 6.501 6.973 2.221 1.00 0.00 ATOM 97 CB LEU A 13 5.480 8.012 2.689 1.00 0.00 ATOM 98 CG LEU A 13 5.248 9.203 1.757 1.00 0.00 ATOM 99 CD1 LEU A 13 4.691 8.738 0.420 1.00 0.00 ATOM 100 CD2 LEU A 13 4.258 10.181 2.371 1.00 0.00 ATOM 101 O LEU A 13 8.297 8.434 2.837 1.00 0.00 ATOM 102 C LEU A 13 7.825 7.684 1.981 1.00 0.00 ATOM 103 N CYS A 14 8.428 7.452 0.815 1.00 0.00 ATOM 104 CA CYS A 14 9.770 7.922 0.540 1.00 0.00 ATOM 105 CB CYS A 14 10.419 7.077 -0.557 1.00 0.00 ATOM 106 SG CYS A 14 10.668 5.341 -0.115 1.00 0.00 ATOM 107 O CYS A 14 9.536 10.283 0.870 1.00 0.00 ATOM 108 C CYS A 14 9.756 9.373 0.076 1.00 0.00 ATOM 109 N LYS A 15 9.997 9.592 -1.225 1.00 0.00 ATOM 110 CA LYS A 15 10.082 10.927 -1.776 1.00 0.00 ATOM 111 CB LYS A 15 11.501 11.479 -1.625 1.00 0.00 ATOM 112 CG LYS A 15 11.656 12.923 -2.076 1.00 0.00 ATOM 113 CD LYS A 15 13.065 13.432 -1.822 1.00 0.00 ATOM 114 CE LYS A 15 13.216 14.880 -2.260 1.00 0.00 ATOM 115 NZ LYS A 15 14.596 15.389 -2.028 1.00 0.00 ATOM 116 O LYS A 15 9.119 11.873 -3.739 1.00 0.00 ATOM 117 C LYS A 15 9.727 10.936 -3.257 1.00 0.00 ATOM 118 N GLY A 16 10.148 9.882 -3.972 1.00 0.00 ATOM 119 CA GLY A 16 10.005 9.839 -5.411 1.00 0.00 ATOM 120 O GLY A 16 7.667 10.032 -4.943 1.00 0.00 ATOM 121 C GLY A 16 8.534 9.844 -5.800 1.00 0.00 ATOM 122 N PRO A 17 8.254 9.626 -7.082 1.00 0.00 ATOM 123 CA PRO A 17 6.923 9.836 -7.619 1.00 0.00 ATOM 124 CB PRO A 17 7.057 9.462 -9.096 1.00 0.00 ATOM 125 CG PRO A 17 8.501 9.671 -9.406 1.00 0.00 ATOM 126 CD PRO A 17 9.256 9.248 -8.176 1.00 0.00 ATOM 127 O PRO A 17 6.195 7.811 -6.577 1.00 0.00 ATOM 128 C PRO A 17 5.903 8.955 -6.911 1.00 0.00 ATOM 129 N LEU A 18 4.699 9.494 -6.685 1.00 0.00 ATOM 130 CA LEU A 18 3.605 8.721 -6.138 1.00 0.00 ATOM 131 CB LEU A 18 2.674 9.616 -5.317 1.00 0.00 ATOM 132 CG LEU A 18 3.300 10.318 -4.110 1.00 0.00 ATOM 133 CD1 LEU A 18 2.289 11.233 -3.437 1.00 0.00 ATOM 134 CD2 LEU A 18 3.777 9.301 -3.084 1.00 0.00 ATOM 135 O LEU A 18 2.100 8.761 -7.998 1.00 0.00 ATOM 136 C LEU A 18 2.783 8.073 -7.243 1.00 0.00 ATOM 137 N VAL A 19 2.851 6.741 -7.337 1.00 0.00 ATOM 138 CA VAL A 19 2.409 6.030 -8.525 1.00 0.00 ATOM 139 CB VAL A 19 3.409 4.930 -8.929 1.00 0.00 ATOM 140 CG1 VAL A 19 2.913 4.187 -10.160 1.00 0.00 ATOM 141 CG2 VAL A 19 4.767 5.536 -9.247 1.00 0.00 ATOM 142 O VAL A 19 0.971 4.267 -7.724 1.00 0.00 ATOM 143 C VAL A 19 1.063 5.365 -8.294 1.00 0.00 ATOM 144 N PHE A 20 -0.041 6.035 -8.696 1.00 0.00 ATOM 145 CA PHE A 20 -1.386 5.556 -8.439 1.00 0.00 ATOM 146 CB PHE A 20 -2.343 6.732 -8.229 1.00 0.00 ATOM 147 CG PHE A 20 -2.071 7.519 -6.979 1.00 0.00 ATOM 148 CD1 PHE A 20 -1.237 7.017 -5.996 1.00 0.00 ATOM 149 CD2 PHE A 20 -2.648 8.762 -6.787 1.00 0.00 ATOM 150 CE1 PHE A 20 -0.986 7.741 -4.845 1.00 0.00 ATOM 151 CE2 PHE A 20 -2.398 9.486 -5.637 1.00 0.00 ATOM 152 CZ PHE A 20 -1.571 8.981 -4.669 1.00 0.00 ATOM 153 O PHE A 20 -2.777 5.171 -10.347 1.00 0.00 ATOM 154 C PHE A 20 -1.902 4.727 -9.606 1.00 0.00 ATOM 155 N ASP A 21 -1.371 3.513 -9.758 1.00 0.00 ATOM 156 CA ASP A 21 -1.644 2.697 -10.924 1.00 0.00 ATOM 157 CB ASP A 21 -0.511 1.695 -11.154 1.00 0.00 ATOM 158 CG ASP A 21 -0.650 0.949 -12.467 1.00 0.00 ATOM 159 OD1 ASP A 21 -1.540 1.312 -13.265 1.00 0.00 ATOM 160 OD2 ASP A 21 0.131 0.002 -12.697 1.00 0.00 ATOM 161 O ASP A 21 -2.916 0.711 -10.539 1.00 0.00 ATOM 162 C ASP A 21 -2.937 1.917 -10.756 1.00 0.00 ATOM 163 N LYS A 22 -4.076 2.614 -10.859 1.00 0.00 ATOM 164 CA LYS A 22 -5.374 1.968 -10.881 1.00 0.00 ATOM 165 CB LYS A 22 -5.560 1.183 -12.181 1.00 0.00 ATOM 166 CG LYS A 22 -5.575 2.048 -13.431 1.00 0.00 ATOM 167 CD LYS A 22 -5.783 1.208 -14.681 1.00 0.00 ATOM 168 CE LYS A 22 -5.793 2.072 -15.931 1.00 0.00 ATOM 169 NZ LYS A 22 -5.900 1.253 -17.171 1.00 0.00 ATOM 170 O LYS A 22 -5.186 1.337 -8.580 1.00 0.00 ATOM 171 C LYS A 22 -5.517 0.998 -9.713 1.00 0.00 ATOM 172 N SER A 23 -6.020 -0.209 -9.994 1.00 0.00 ATOM 173 CA SER A 23 -6.545 -1.079 -8.957 1.00 0.00 ATOM 174 CB SER A 23 -7.724 -1.896 -9.489 1.00 0.00 ATOM 175 OG SER A 23 -7.307 -2.789 -10.507 1.00 0.00 ATOM 176 O SER A 23 -5.518 -2.487 -7.331 1.00 0.00 ATOM 177 C SER A 23 -5.484 -2.048 -8.465 1.00 0.00 ATOM 178 N LYS A 24 -4.536 -2.395 -9.355 1.00 0.00 ATOM 179 CA LYS A 24 -4.006 -3.740 -9.414 1.00 0.00 ATOM 180 CB LYS A 24 -3.249 -3.961 -10.725 1.00 0.00 ATOM 181 CG LYS A 24 -2.699 -5.367 -10.895 1.00 0.00 ATOM 182 CD LYS A 24 -2.101 -5.563 -12.279 1.00 0.00 ATOM 183 CE LYS A 24 -1.608 -6.988 -12.471 1.00 0.00 ATOM 184 NZ LYS A 24 -1.050 -7.203 -13.834 1.00 0.00 ATOM 185 O LYS A 24 -3.173 -4.999 -7.556 1.00 0.00 ATOM 186 C LYS A 24 -3.044 -4.000 -8.261 1.00 0.00 ATOM 187 N ASP A 25 -2.079 -3.101 -8.068 1.00 0.00 ATOM 188 CA ASP A 25 -0.785 -3.464 -7.530 1.00 0.00 ATOM 189 CB ASP A 25 0.202 -2.305 -7.681 1.00 0.00 ATOM 190 CG ASP A 25 0.650 -2.104 -9.115 1.00 0.00 ATOM 191 OD1 ASP A 25 0.397 -3.000 -9.948 1.00 0.00 ATOM 192 OD2 ASP A 25 1.253 -1.050 -9.407 1.00 0.00 ATOM 193 O ASP A 25 -0.251 -4.757 -5.591 1.00 0.00 ATOM 194 C ASP A 25 -0.883 -3.812 -6.051 1.00 0.00 ATOM 195 N GLU A 26 -1.681 -3.040 -5.307 1.00 0.00 ATOM 196 CA GLU A 26 -1.783 -3.207 -3.873 1.00 0.00 ATOM 197 CB GLU A 26 -2.952 -2.389 -3.320 1.00 0.00 ATOM 198 CG GLU A 26 -3.127 -2.496 -1.814 1.00 0.00 ATOM 199 CD GLU A 26 -2.008 -1.818 -1.048 1.00 0.00 ATOM 200 OE1 GLU A 26 -1.216 -1.086 -1.677 1.00 0.00 ATOM 201 OE2 GLU A 26 -1.923 -2.020 0.182 1.00 0.00 ATOM 202 O GLU A 26 -1.372 -5.187 -2.598 1.00 0.00 ATOM 203 C GLU A 26 -2.011 -4.666 -3.505 1.00 0.00 ATOM 204 N LEU A 27 -2.927 -5.325 -4.218 1.00 0.00 ATOM 205 CA LEU A 27 -3.752 -6.364 -3.631 1.00 0.00 ATOM 206 CB LEU A 27 -4.898 -6.735 -4.574 1.00 0.00 ATOM 207 CG LEU A 27 -5.989 -5.679 -4.763 1.00 0.00 ATOM 208 CD1 LEU A 27 -6.957 -6.096 -5.860 1.00 0.00 ATOM 209 CD2 LEU A 27 -6.780 -5.487 -3.478 1.00 0.00 ATOM 210 O LEU A 27 -3.051 -8.212 -2.287 1.00 0.00 ATOM 211 C LEU A 27 -2.941 -7.620 -3.358 1.00 0.00 ATOM 212 N ILE A 28 -2.117 -8.026 -4.331 1.00 0.00 ATOM 213 CA ILE A 28 -1.835 -9.429 -4.558 1.00 0.00 ATOM 214 CB ILE A 28 -1.395 -9.688 -6.011 1.00 0.00 ATOM 215 CG1 ILE A 28 -0.074 -8.973 -6.304 1.00 0.00 ATOM 216 CG2 ILE A 28 -2.446 -9.178 -6.985 1.00 0.00 ATOM 217 CD1 ILE A 28 0.548 -9.359 -7.628 1.00 0.00 ATOM 218 O ILE A 28 -0.553 -11.128 -3.465 1.00 0.00 ATOM 219 C ILE A 28 -0.722 -9.919 -3.648 1.00 0.00 ATOM 220 N CYS A 29 0.040 -8.987 -3.083 1.00 0.00 ATOM 221 CA CYS A 29 1.120 -9.324 -2.176 1.00 0.00 ATOM 222 CB CYS A 29 2.368 -8.499 -2.498 1.00 0.00 ATOM 223 SG CYS A 29 3.040 -8.778 -4.153 1.00 0.00 ATOM 224 O CYS A 29 0.997 -9.860 0.158 1.00 0.00 ATOM 225 C CYS A 29 0.729 -9.046 -0.733 1.00 0.00 ATOM 226 N LYS A 30 0.095 -7.896 -0.494 1.00 0.00 ATOM 227 CA LYS A 30 -0.100 -7.398 0.856 1.00 0.00 ATOM 228 CB LYS A 30 -0.055 -5.869 0.875 1.00 0.00 ATOM 229 CG LYS A 30 1.223 -5.278 0.302 1.00 0.00 ATOM 230 CD LYS A 30 2.436 -5.685 1.122 1.00 0.00 ATOM 231 CE LYS A 30 3.706 -5.045 0.586 1.00 0.00 ATOM 232 NZ LYS A 30 4.910 -5.480 1.345 1.00 0.00 ATOM 233 O LYS A 30 -2.122 -7.073 2.097 1.00 0.00 ATOM 234 C LYS A 30 -1.446 -7.840 1.411 1.00 0.00 ATOM 235 N GLY A 31 -1.835 -9.078 1.116 1.00 0.00 ATOM 236 CA GLY A 31 -3.033 -9.662 1.681 1.00 0.00 ATOM 237 O GLY A 31 -4.397 -8.289 3.088 1.00 0.00 ATOM 238 C GLY A 31 -4.076 -8.579 1.938 1.00 0.00 ATOM 239 N ASP A 32 -4.596 -7.988 0.866 1.00 0.00 ATOM 240 CA ASP A 32 -5.398 -6.783 0.965 1.00 0.00 ATOM 241 CB ASP A 32 -5.453 -6.064 -0.384 1.00 0.00 ATOM 242 CG ASP A 32 -6.051 -4.674 -0.280 1.00 0.00 ATOM 243 OD1 ASP A 32 -5.498 -3.845 0.473 1.00 0.00 ATOM 244 OD2 ASP A 32 -7.072 -4.415 -0.951 1.00 0.00 ATOM 245 O ASP A 32 -7.509 -6.275 1.980 1.00 0.00 ATOM 246 C ASP A 32 -6.826 -7.108 1.388 1.00 0.00 ATOM 247 N ARG A 33 -7.276 -8.326 1.082 1.00 0.00 ATOM 248 CA ARG A 33 -8.629 -8.743 1.387 1.00 0.00 ATOM 249 CB ARG A 33 -9.007 -9.978 0.567 1.00 0.00 ATOM 250 CG ARG A 33 -9.187 -9.706 -0.918 1.00 0.00 ATOM 251 CD ARG A 33 -9.466 -10.989 -1.684 1.00 0.00 ATOM 252 NE ARG A 33 -9.690 -10.739 -3.106 1.00 0.00 ATOM 253 CZ ARG A 33 -9.821 -11.694 -4.021 1.00 0.00 ATOM 254 NH1 ARG A 33 -10.022 -11.372 -5.291 1.00 0.00 ATOM 255 NH2 ARG A 33 -9.749 -12.969 -3.663 1.00 0.00 ATOM 256 O ARG A 33 -9.799 -8.799 3.474 1.00 0.00 ATOM 257 C ARG A 33 -8.776 -9.091 2.861 1.00 0.00 ATOM 258 N LEU A 34 -7.741 -9.716 3.433 1.00 0.00 ATOM 259 CA LEU A 34 -7.681 -9.950 4.862 1.00 0.00 ATOM 260 CB LEU A 34 -6.490 -10.846 5.209 1.00 0.00 ATOM 261 CG LEU A 34 -6.580 -12.302 4.746 1.00 0.00 ATOM 262 CD1 LEU A 34 -5.267 -13.027 4.995 1.00 0.00 ATOM 263 CD2 LEU A 34 -7.679 -13.038 5.496 1.00 0.00 ATOM 264 O LEU A 34 -8.149 -8.454 6.666 1.00 0.00 ATOM 265 C LEU A 34 -7.527 -8.641 5.620 1.00 0.00 ATOM 266 N ALA A 35 -6.698 -7.741 5.101 1.00 0.00 ATOM 267 CA ALA A 35 -6.237 -6.591 5.856 1.00 0.00 ATOM 268 CB ALA A 35 -4.872 -6.142 5.357 1.00 0.00 ATOM 269 O ALA A 35 -7.124 -4.458 6.471 1.00 0.00 ATOM 270 C ALA A 35 -7.202 -5.422 5.716 1.00 0.00 ATOM 271 N PHE A 36 -8.106 -5.510 4.740 1.00 0.00 ATOM 272 CA PHE A 36 -9.089 -4.471 4.507 1.00 0.00 ATOM 273 CB PHE A 36 -8.505 -3.370 3.619 1.00 0.00 ATOM 274 CG PHE A 36 -9.467 -2.255 3.324 1.00 0.00 ATOM 275 CD1 PHE A 36 -9.657 -1.227 4.231 1.00 0.00 ATOM 276 CD2 PHE A 36 -10.183 -2.235 2.139 1.00 0.00 ATOM 277 CE1 PHE A 36 -10.543 -0.201 3.959 1.00 0.00 ATOM 278 CE2 PHE A 36 -11.068 -1.209 1.868 1.00 0.00 ATOM 279 CZ PHE A 36 -11.249 -0.195 2.772 1.00 0.00 ATOM 280 O PHE A 36 -10.212 -5.823 2.883 1.00 0.00 ATOM 281 C PHE A 36 -10.323 -5.028 3.817 1.00 0.00 ATOM 282 N PRO A 37 -11.505 -4.613 4.277 1.00 0.00 ATOM 283 CA PRO A 37 -12.752 -4.943 3.608 1.00 0.00 ATOM 284 CB PRO A 37 -13.810 -4.166 4.393 1.00 0.00 ATOM 285 CG PRO A 37 -13.237 -4.035 5.765 1.00 0.00 ATOM 286 CD PRO A 37 -11.763 -3.810 5.580 1.00 0.00 ATOM 287 O PRO A 37 -12.432 -3.353 1.852 1.00 0.00 ATOM 288 C PRO A 37 -12.713 -4.515 2.147 1.00 0.00 ATOM 289 N ILE A 38 -13.005 -5.450 1.251 1.00 0.00 ATOM 290 CA ILE A 38 -12.631 -5.308 -0.140 1.00 0.00 ATOM 291 CB ILE A 38 -12.801 -6.632 -0.908 1.00 0.00 ATOM 292 CG1 ILE A 38 -11.885 -7.709 -0.323 1.00 0.00 ATOM 293 CG2 ILE A 38 -12.449 -6.445 -2.376 1.00 0.00 ATOM 294 CD1 ILE A 38 -12.148 -9.096 -0.868 1.00 0.00 ATOM 295 O ILE A 38 -13.235 -3.061 -0.719 1.00 0.00 ATOM 296 C ILE A 38 -13.490 -4.259 -0.837 1.00 0.00 ATOM 297 N LYS A 39 -14.517 -4.711 -1.562 1.00 0.00 ATOM 298 CA LYS A 39 -15.363 -3.825 -2.331 1.00 0.00 ATOM 299 CB LYS A 39 -15.417 -4.271 -3.793 1.00 0.00 ATOM 300 CG LYS A 39 -14.080 -4.207 -4.512 1.00 0.00 ATOM 301 CD LYS A 39 -14.196 -4.709 -5.942 1.00 0.00 ATOM 302 CE LYS A 39 -12.853 -4.667 -6.653 1.00 0.00 ATOM 303 NZ LYS A 39 -12.958 -5.129 -8.065 1.00 0.00 ATOM 304 O LYS A 39 -17.704 -4.335 -2.411 1.00 0.00 ATOM 305 C LYS A 39 -16.787 -3.819 -1.780 1.00 0.00 ATOM 306 N ASP A 40 -16.967 -3.226 -0.596 1.00 0.00 ATOM 307 CA ASP A 40 -18.279 -3.102 0.010 1.00 0.00 ATOM 308 CB ASP A 40 -18.288 -3.734 1.403 1.00 0.00 ATOM 309 CG ASP A 40 -17.891 -5.197 1.382 1.00 0.00 ATOM 310 OD1 ASP A 40 -18.566 -5.985 0.685 1.00 0.00 ATOM 311 OD2 ASP A 40 -16.906 -5.556 2.061 1.00 0.00 ATOM 312 O ASP A 40 -19.870 -1.327 0.236 1.00 0.00 ATOM 313 C ASP A 40 -18.682 -1.638 0.151 1.00 0.00 ATOM 314 N GLY A 41 -17.690 -0.747 0.170 1.00 0.00 ATOM 315 CA GLY A 41 -17.942 0.677 0.159 1.00 0.00 ATOM 316 O GLY A 41 -18.530 1.297 -2.077 1.00 0.00 ATOM 317 C GLY A 41 -17.656 1.260 -1.215 1.00 0.00 ATOM 318 N ILE A 42 -16.419 1.722 -1.421 1.00 0.00 ATOM 319 CA ILE A 42 -16.060 2.458 -2.616 1.00 0.00 ATOM 320 CB ILE A 42 -15.901 3.962 -2.326 1.00 0.00 ATOM 321 CG1 ILE A 42 -14.797 4.192 -1.291 1.00 0.00 ATOM 322 CG2 ILE A 42 -17.198 4.540 -1.783 1.00 0.00 ATOM 323 CD1 ILE A 42 -14.432 5.647 -1.101 1.00 0.00 ATOM 324 O ILE A 42 -13.955 1.329 -2.484 1.00 0.00 ATOM 325 C ILE A 42 -14.746 1.962 -3.193 1.00 0.00 ATOM 326 N PRO A 43 -14.506 2.242 -4.471 1.00 0.00 ATOM 327 CA PRO A 43 -13.242 1.919 -5.107 1.00 0.00 ATOM 328 CB PRO A 43 -13.526 2.085 -6.601 1.00 0.00 ATOM 329 CG PRO A 43 -14.697 3.008 -6.658 1.00 0.00 ATOM 330 CD PRO A 43 -15.530 2.701 -5.446 1.00 0.00 ATOM 331 O PRO A 43 -10.971 2.500 -4.656 1.00 0.00 ATOM 332 C PRO A 43 -12.138 2.856 -4.646 1.00 0.00 ATOM 333 N MET A 44 -12.524 4.075 -4.235 1.00 0.00 ATOM 334 CA MET A 44 -11.571 5.045 -3.734 1.00 0.00 ATOM 335 CB MET A 44 -12.297 6.274 -3.184 1.00 0.00 ATOM 336 CG MET A 44 -12.961 7.131 -4.249 1.00 0.00 ATOM 337 SD MET A 44 -11.775 7.863 -5.393 1.00 0.00 ATOM 338 CE MET A 44 -10.974 9.062 -4.330 1.00 0.00 ATOM 339 O MET A 44 -9.550 4.793 -2.480 1.00 0.00 ATOM 340 C MET A 44 -10.728 4.456 -2.618 1.00 0.00 ATOM 341 N MET A 45 -11.323 3.570 -1.815 1.00 0.00 ATOM 342 CA MET A 45 -10.619 2.935 -0.717 1.00 0.00 ATOM 343 CB MET A 45 -11.563 2.023 0.069 1.00 0.00 ATOM 344 CG MET A 45 -12.570 2.768 0.931 1.00 0.00 ATOM 345 SD MET A 45 -13.497 1.672 2.022 1.00 0.00 ATOM 346 CE MET A 45 -14.564 0.845 0.845 1.00 0.00 ATOM 347 O MET A 45 -8.320 2.276 -0.814 1.00 0.00 ATOM 348 C MET A 45 -9.463 2.093 -1.233 1.00 0.00 ATOM 349 N LEU A 46 -9.757 1.161 -2.144 1.00 0.00 ATOM 350 CA LEU A 46 -8.754 0.253 -2.663 1.00 0.00 ATOM 351 CB LEU A 46 -9.393 -0.770 -3.604 1.00 0.00 ATOM 352 CG LEU A 46 -10.308 -1.810 -2.955 1.00 0.00 ATOM 353 CD1 LEU A 46 -11.014 -2.642 -4.015 1.00 0.00 ATOM 354 CD2 LEU A 46 -9.508 -2.750 -2.067 1.00 0.00 ATOM 355 O LEU A 46 -6.496 0.708 -3.307 1.00 0.00 ATOM 356 C LEU A 46 -7.684 1.004 -3.438 1.00 0.00 ATOM 357 N GLU A 47 -8.101 1.986 -4.238 1.00 0.00 ATOM 358 CA GLU A 47 -7.178 2.769 -5.035 1.00 0.00 ATOM 359 CB GLU A 47 -7.940 3.750 -5.928 1.00 0.00 ATOM 360 CG GLU A 47 -8.697 3.091 -7.070 1.00 0.00 ATOM 361 CD GLU A 47 -9.515 4.082 -7.875 1.00 0.00 ATOM 362 OE1 GLU A 47 -9.545 5.272 -7.498 1.00 0.00 ATOM 363 OE2 GLU A 47 -10.125 3.668 -8.883 1.00 0.00 ATOM 364 O GLU A 47 -5.093 3.828 -4.535 1.00 0.00 ATOM 365 C GLU A 47 -6.232 3.571 -4.155 1.00 0.00 ATOM 366 N SER A 48 -6.710 3.967 -2.971 1.00 0.00 ATOM 367 CA SER A 48 -5.893 4.692 -2.020 1.00 0.00 ATOM 368 CB SER A 48 -6.722 5.095 -0.799 1.00 0.00 ATOM 369 OG SER A 48 -7.725 6.032 -1.150 1.00 0.00 ATOM 370 O SER A 48 -3.619 4.339 -1.366 1.00 0.00 ATOM 371 C SER A 48 -4.725 3.835 -1.542 1.00 0.00 ATOM 372 N GLU A 49 -4.975 2.540 -1.336 1.00 0.00 ATOM 373 CA GLU A 49 -3.924 1.602 -1.010 1.00 0.00 ATOM 374 CB GLU A 49 -4.516 0.236 -0.655 1.00 0.00 ATOM 375 CG GLU A 49 -5.306 0.221 0.643 1.00 0.00 ATOM 376 CD GLU A 49 -5.878 -1.147 0.960 1.00 0.00 ATOM 377 OE1 GLU A 49 -6.536 -1.735 0.076 1.00 0.00 ATOM 378 OE2 GLU A 49 -5.670 -1.630 2.092 1.00 0.00 ATOM 379 O GLU A 49 -1.758 1.390 -1.996 1.00 0.00 ATOM 380 C GLU A 49 -2.972 1.414 -2.182 1.00 0.00 ATOM 381 N ALA A 50 -3.530 1.284 -3.388 1.00 0.00 ATOM 382 CA ALA A 50 -2.736 1.003 -4.571 1.00 0.00 ATOM 383 CB ALA A 50 -3.640 0.705 -5.758 1.00 0.00 ATOM 384 O ALA A 50 -0.739 2.014 -5.417 1.00 0.00 ATOM 385 C ALA A 50 -1.855 2.192 -4.929 1.00 0.00 ATOM 386 N ARG A 51 -2.357 3.407 -4.696 1.00 0.00 ATOM 387 CA ARG A 51 -1.604 4.616 -4.954 1.00 0.00 ATOM 388 CB ARG A 51 -2.433 5.851 -4.594 1.00 0.00 ATOM 389 CG ARG A 51 -3.590 6.120 -5.543 1.00 0.00 ATOM 390 CD ARG A 51 -4.412 7.314 -5.086 1.00 0.00 ATOM 391 NE ARG A 51 -5.545 7.569 -5.972 1.00 0.00 ATOM 392 CZ ARG A 51 -6.463 8.507 -5.760 1.00 0.00 ATOM 393 NH1 ARG A 51 -7.458 8.667 -6.621 1.00 0.00 ATOM 394 NH2 ARG A 51 -6.382 9.283 -4.688 1.00 0.00 ATOM 395 O ARG A 51 0.736 5.015 -4.635 1.00 0.00 ATOM 396 C ARG A 51 -0.324 4.644 -4.129 1.00 0.00 ATOM 397 N GLU A 52 -0.421 4.256 -2.857 1.00 0.00 ATOM 398 CA GLU A 52 0.715 4.286 -1.956 1.00 0.00 ATOM 399 CB GLU A 52 0.248 4.469 -0.511 1.00 0.00 ATOM 400 CG GLU A 52 -0.451 5.793 -0.247 1.00 0.00 ATOM 401 CD GLU A 52 0.449 6.987 -0.497 1.00 0.00 ATOM 402 OE1 GLU A 52 1.591 6.986 0.009 1.00 0.00 ATOM 403 OE2 GLU A 52 0.013 7.924 -1.198 1.00 0.00 ATOM 404 O GLU A 52 2.733 3.004 -1.910 1.00 0.00 ATOM 405 C GLU A 52 1.512 2.995 -2.033 1.00 0.00 ATOM 406 N LEU A 53 0.813 1.874 -2.235 1.00 0.00 ATOM 407 CA LEU A 53 1.449 0.568 -2.279 1.00 0.00 ATOM 408 CB LEU A 53 0.395 -0.541 -2.278 1.00 0.00 ATOM 409 CG LEU A 53 0.923 -1.977 -2.294 1.00 0.00 ATOM 410 CD1 LEU A 53 1.775 -2.251 -1.064 1.00 0.00 ATOM 411 CD2 LEU A 53 -0.227 -2.973 -2.306 1.00 0.00 ATOM 412 O LEU A 53 3.349 -0.219 -3.499 1.00 0.00 ATOM 413 C LEU A 53 2.297 0.413 -3.532 1.00 0.00 ATOM 414 N ALA A 54 1.839 0.993 -4.643 1.00 0.00 ATOM 415 CA ALA A 54 2.461 0.777 -5.936 1.00 0.00 ATOM 416 CB ALA A 54 1.850 1.700 -6.979 1.00 0.00 ATOM 417 O ALA A 54 4.760 0.202 -6.254 1.00 0.00 ATOM 418 C ALA A 54 3.955 1.052 -5.874 1.00 0.00 ATOM 419 N PRO A 55 4.325 2.243 -5.397 1.00 0.00 ATOM 420 CA PRO A 55 5.722 2.625 -5.293 1.00 0.00 ATOM 421 CB PRO A 55 5.675 4.129 -5.019 1.00 0.00 ATOM 422 CG PRO A 55 4.321 4.361 -4.435 1.00 0.00 ATOM 423 CD PRO A 55 3.406 3.373 -5.102 1.00 0.00 ATOM 424 O PRO A 55 7.600 1.577 -4.249 1.00 0.00 ATOM 425 C PRO A 55 6.411 1.876 -4.165 1.00 0.00 ATOM 426 N GLU A 56 5.666 1.573 -3.102 1.00 0.00 ATOM 427 CA GLU A 56 6.201 0.845 -1.969 1.00 0.00 ATOM 428 CB GLU A 56 5.089 0.513 -0.972 1.00 0.00 ATOM 429 CG GLU A 56 5.569 -0.213 0.274 1.00 0.00 ATOM 430 CD GLU A 56 6.415 0.668 1.173 1.00 0.00 ATOM 431 OE1 GLU A 56 6.475 1.890 0.920 1.00 0.00 ATOM 432 OE2 GLU A 56 7.017 0.137 2.129 1.00 0.00 ATOM 433 O GLU A 56 7.840 -0.891 -1.838 1.00 0.00 ATOM 434 C GLU A 56 6.844 -0.460 -2.413 1.00 0.00 ATOM 435 N GLU A 57 6.277 -1.088 -3.443 1.00 0.00 ATOM 436 CA GLU A 57 6.783 -2.349 -3.949 1.00 0.00 ATOM 437 CB GLU A 57 5.922 -2.843 -5.114 1.00 0.00 ATOM 438 CG GLU A 57 4.537 -3.317 -4.704 1.00 0.00 ATOM 439 CD GLU A 57 3.671 -3.682 -5.894 1.00 0.00 ATOM 440 OE1 GLU A 57 4.128 -3.495 -7.041 1.00 0.00 ATOM 441 OE2 GLU A 57 2.536 -4.155 -5.679 1.00 0.00 ATOM 442 O GLU A 57 9.042 -3.083 -4.235 1.00 0.00 ATOM 443 C GLU A 57 8.216 -2.198 -4.445 1.00 0.00 ATOM 444 N GLU A 58 8.505 -1.073 -5.106 1.00 0.00 ATOM 445 CA GLU A 58 9.855 -0.775 -5.547 1.00 0.00 ATOM 446 CB GLU A 58 9.873 0.498 -6.396 1.00 0.00 ATOM 447 CG GLU A 58 9.215 0.345 -7.757 1.00 0.00 ATOM 448 CD GLU A 58 9.124 1.658 -8.511 1.00 0.00 ATOM 449 OE1 GLU A 58 9.511 2.699 -7.939 1.00 0.00 ATOM 450 OE2 GLU A 58 8.665 1.645 -9.672 1.00 0.00 ATOM 451 O GLU A 58 11.878 -1.128 -4.318 1.00 0.00 ATOM 452 C GLU A 58 10.785 -0.566 -4.362 1.00 0.00 ATOM 453 N VAL A 59 10.349 0.242 -3.393 1.00 0.00 ATOM 454 CA VAL A 59 11.174 0.587 -2.256 1.00 0.00 ATOM 455 CB VAL A 59 10.473 1.606 -1.339 1.00 0.00 ATOM 456 CG1 VAL A 59 11.267 1.802 -0.056 1.00 0.00 ATOM 457 CG2 VAL A 59 10.347 2.952 -2.036 1.00 0.00 ATOM 458 O VAL A 59 12.613 -0.786 -0.926 1.00 0.00 ATOM 459 C VAL A 59 11.496 -0.640 -1.415 1.00 0.00 ATOM 460 N LYS A 60 10.513 -1.528 -1.251 1.00 0.00 ATOM 461 CA LYS A 60 10.649 -2.667 -0.370 1.00 0.00 ATOM 462 CB LYS A 60 9.303 -3.373 -0.196 1.00 0.00 ATOM 463 CG LYS A 60 9.339 -4.549 0.767 1.00 0.00 ATOM 464 CD LYS A 60 7.955 -5.145 0.963 1.00 0.00 ATOM 465 CE LYS A 60 7.995 -6.336 1.907 1.00 0.00 ATOM 466 NZ LYS A 60 6.648 -6.943 2.092 1.00 0.00 ATOM 467 O LYS A 60 12.431 -4.249 -0.182 1.00 0.00 ATOM 468 C LYS A 60 11.641 -3.672 -0.926 1.00 0.00 ATOM 469 N LEU A 61 11.597 -3.894 -2.245 1.00 0.00 ATOM 470 CA LEU A 61 12.474 -4.846 -2.891 1.00 0.00 ATOM 471 CB LEU A 61 12.188 -4.905 -4.393 1.00 0.00 ATOM 472 CG LEU A 61 10.832 -5.483 -4.803 1.00 0.00 ATOM 473 CD1 LEU A 61 10.626 -5.358 -6.304 1.00 0.00 ATOM 474 CD2 LEU A 61 10.741 -6.955 -4.432 1.00 0.00 ATOM 475 O LEU A 61 14.824 -5.303 -2.804 1.00 0.00 ATOM 476 C LEU A 61 13.934 -4.461 -2.702 1.00 0.00 ATOM 477 N GLU A 62 14.183 -3.174 -2.427 1.00 0.00 ATOM 478 CA GLU A 62 15.473 -2.568 -2.695 1.00 0.00 ATOM 479 CB GLU A 62 15.420 -1.060 -2.439 1.00 0.00 ATOM 480 CG GLU A 62 14.590 -0.288 -3.450 1.00 0.00 ATOM 481 CD GLU A 62 14.442 1.176 -3.086 1.00 0.00 ATOM 482 OE1 GLU A 62 14.931 1.572 -2.007 1.00 0.00 ATOM 483 OE2 GLU A 62 13.838 1.928 -3.880 1.00 0.00 ATOM 484 O GLU A 62 17.643 -3.484 -2.274 1.00 0.00 ATOM 485 C GLU A 62 16.552 -3.164 -1.801 1.00 0.00 ATOM 486 N HIS A 63 16.248 -3.306 -0.510 1.00 0.00 ATOM 487 CA HIS A 63 17.187 -3.866 0.437 1.00 0.00 ATOM 488 CB HIS A 63 17.114 -3.118 1.770 1.00 0.00 ATOM 489 CG HIS A 63 17.488 -1.672 1.672 1.00 0.00 ATOM 490 CD2 HIS A 63 16.767 -0.408 1.715 1.00 0.00 ATOM 491 ND1 HIS A 63 18.788 -1.249 1.499 1.00 0.00 ATOM 492 CE1 HIS A 63 18.809 0.094 1.448 1.00 0.00 ATOM 493 NE2 HIS A 63 17.600 0.606 1.577 1.00 0.00 ATOM 494 O HIS A 63 17.816 -6.145 0.799 1.00 0.00 ATOM 495 C HIS A 63 16.892 -5.333 0.704 1.00 0.00 ATOM 496 N HIS A 64 15.610 -5.678 0.823 1.00 0.00 ATOM 497 CA HIS A 64 15.210 -7.023 1.173 1.00 0.00 ATOM 498 CB HIS A 64 16.210 -7.642 2.152 1.00 0.00 ATOM 499 CG HIS A 64 17.584 -7.815 1.583 1.00 0.00 ATOM 500 CD2 HIS A 64 18.872 -7.162 1.763 1.00 0.00 ATOM 501 ND1 HIS A 64 17.886 -8.779 0.646 1.00 0.00 ATOM 502 CE1 HIS A 64 19.190 -8.689 0.329 1.00 0.00 ATOM 503 NE2 HIS A 64 19.788 -7.720 0.996 1.00 0.00 ATOM 504 O HIS A 64 12.808 -6.897 1.176 1.00 0.00 ATOM 505 C HIS A 64 13.833 -7.033 1.832 1.00 0.00 ATOM 506 N HIS A 65 13.806 -7.234 3.169 1.00 0.00 ATOM 507 CA HIS A 65 12.564 -7.362 3.899 1.00 0.00 ATOM 508 CB HIS A 65 12.719 -8.360 5.049 1.00 0.00 ATOM 509 CG HIS A 65 13.064 -9.746 4.603 1.00 0.00 ATOM 510 CD2 HIS A 65 14.268 -10.564 4.592 1.00 0.00 ATOM 511 ND1 HIS A 65 12.138 -10.600 4.042 1.00 0.00 ATOM 512 CE1 HIS A 65 12.741 -11.766 3.746 1.00 0.00 ATOM 513 NE2 HIS A 65 14.019 -11.751 4.073 1.00 0.00 ATOM 514 O HIS A 65 12.808 -5.507 5.350 1.00 0.00 ATOM 515 C HIS A 65 12.129 -6.029 4.489 1.00 0.00 ATOM 516 N HIS A 66 10.974 -5.550 4.036 1.00 0.00 ATOM 517 CA HIS A 66 10.413 -4.328 4.580 1.00 0.00 ATOM 518 CB HIS A 66 9.243 -3.847 3.720 1.00 0.00 ATOM 519 CG HIS A 66 8.658 -2.544 4.170 1.00 0.00 ATOM 520 CD2 HIS A 66 9.040 -1.507 5.119 1.00 0.00 ATOM 521 ND1 HIS A 66 7.474 -2.047 3.671 1.00 0.00 ATOM 522 CE1 HIS A 66 7.209 -0.868 4.262 1.00 0.00 ATOM 523 NE2 HIS A 66 8.144 -0.538 5.132 1.00 0.00 ATOM 524 O HIS A 66 9.065 -5.409 6.239 1.00 0.00 ATOM 525 C HIS A 66 9.903 -4.543 5.994 1.00 0.00 ATOM 526 N HIS A 67 10.402 -3.740 6.942 1.00 0.00 ATOM 527 CA HIS A 67 9.936 -3.786 8.315 1.00 0.00 ATOM 528 CB HIS A 67 10.919 -3.065 9.239 1.00 0.00 ATOM 529 CG HIS A 67 10.645 -3.275 10.696 1.00 0.00 ATOM 530 CD2 HIS A 67 11.232 -4.079 11.758 1.00 0.00 ATOM 531 ND1 HIS A 67 9.624 -2.631 11.361 1.00 0.00 ATOM 532 CE1 HIS A 67 9.627 -3.020 12.649 1.00 0.00 ATOM 533 NE2 HIS A 67 10.589 -3.889 12.893 1.00 0.00 ATOM 534 O HIS A 67 8.365 -2.018 7.990 1.00 0.00 ATOM 535 C HIS A 67 8.580 -3.118 8.458 1.00 0.00 ATOM 536 N HIS A 68 7.619 -3.816 9.123 1.00 0.00 ATOM 537 CA HIS A 68 6.280 -3.297 9.305 1.00 0.00 ATOM 538 CB HIS A 68 5.488 -4.183 10.269 1.00 0.00 ATOM 539 CG HIS A 68 5.270 -5.577 9.767 1.00 0.00 ATOM 540 CD2 HIS A 68 5.785 -6.895 10.108 1.00 0.00 ATOM 541 ND1 HIS A 68 4.405 -5.870 8.736 1.00 0.00 ATOM 542 CE1 HIS A 68 4.423 -7.196 8.513 1.00 0.00 ATOM 543 NE2 HIS A 68 5.248 -7.817 9.333 1.00 0.00 ATOM 544 O HIS A 68 6.377 -1.709 11.093 1.00 0.00 ATOM 545 C HIS A 68 6.312 -1.886 9.877 1.00 0.00 ENDMDL