EXPDTA T0348TS125_2-scwrl MODEL 1 REMARK 44 REMARK 44 model 1 is called T0348TS125_2-scwrl ATOM 1 N MET A 1 -0.607 -1.799 0.570 1.00 0.00 ATOM 2 CA MET A 1 0.181 -1.146 -0.603 1.00 0.00 ATOM 3 CB MET A 1 1.686 -1.207 -0.337 1.00 0.00 ATOM 4 CG MET A 1 2.150 -0.324 0.810 1.00 0.00 ATOM 5 SD MET A 1 1.799 1.422 0.529 1.00 0.00 ATOM 6 CE MET A 1 2.922 1.781 -0.819 1.00 0.00 ATOM 7 O MET A 1 -0.565 -1.957 -2.730 1.00 0.00 ATOM 8 C MET A 1 -0.451 -2.197 -1.529 1.00 0.00 ATOM 9 N ASP A 2 -0.756 -3.374 -0.989 1.00 0.00 ATOM 10 CA ASP A 2 -1.278 -4.419 -1.869 1.00 0.00 ATOM 11 CB ASP A 2 -0.326 -5.617 -1.902 1.00 0.00 ATOM 12 CG ASP A 2 -0.784 -6.698 -2.861 1.00 0.00 ATOM 13 OD1 ASP A 2 -1.907 -6.583 -3.395 1.00 0.00 ATOM 14 OD2 ASP A 2 -0.018 -7.661 -3.079 1.00 0.00 ATOM 15 O ASP A 2 -2.838 -4.726 0.242 1.00 0.00 ATOM 16 C ASP A 2 -2.625 -4.553 -0.962 1.00 0.00 ATOM 17 N ALA A 3 -3.588 -4.365 -1.837 1.00 0.00 ATOM 18 CA ALA A 3 -5.072 -4.441 -1.654 1.00 0.00 ATOM 19 CB ALA A 3 -5.764 -4.605 -2.998 1.00 0.00 ATOM 20 O ALA A 3 -6.062 -5.480 0.216 1.00 0.00 ATOM 21 C ALA A 3 -5.360 -5.633 -0.776 1.00 0.00 ATOM 22 N LYS A 4 -4.873 -6.809 -1.155 1.00 0.00 ATOM 23 CA LYS A 4 -4.998 -8.030 -0.409 1.00 0.00 ATOM 24 CB LYS A 4 -4.227 -9.159 -1.096 1.00 0.00 ATOM 25 CG LYS A 4 -4.307 -10.494 -0.374 1.00 0.00 ATOM 26 CD LYS A 4 -3.552 -11.576 -1.128 1.00 0.00 ATOM 27 CE LYS A 4 -3.617 -12.907 -0.397 1.00 0.00 ATOM 28 NZ LYS A 4 -2.855 -13.970 -1.110 1.00 0.00 ATOM 29 O LYS A 4 -5.018 -8.234 2.090 1.00 0.00 ATOM 30 C LYS A 4 -4.437 -7.912 1.064 1.00 0.00 ATOM 31 N PHE A 5 -3.173 -7.490 1.048 1.00 0.00 ATOM 32 CA PHE A 5 -2.507 -7.396 2.389 1.00 0.00 ATOM 33 CB PHE A 5 -1.046 -6.968 2.233 1.00 0.00 ATOM 34 CG PHE A 5 -0.309 -6.843 3.536 1.00 0.00 ATOM 35 CD1 PHE A 5 0.169 -7.967 4.187 1.00 0.00 ATOM 36 CD2 PHE A 5 -0.093 -5.603 4.109 1.00 0.00 ATOM 37 CE1 PHE A 5 0.848 -7.852 5.386 1.00 0.00 ATOM 38 CE2 PHE A 5 0.586 -5.488 5.308 1.00 0.00 ATOM 39 CZ PHE A 5 1.055 -6.606 5.946 1.00 0.00 ATOM 40 O PHE A 5 -3.493 -6.562 4.453 1.00 0.00 ATOM 41 C PHE A 5 -3.254 -6.341 3.270 1.00 0.00 ATOM 42 N LEU A 6 -3.639 -5.217 2.669 1.00 0.00 ATOM 43 CA LEU A 6 -4.362 -4.233 3.390 1.00 0.00 ATOM 44 CB LEU A 6 -4.640 -3.016 2.505 1.00 0.00 ATOM 45 CG LEU A 6 -3.428 -2.160 2.130 1.00 0.00 ATOM 46 CD1 LEU A 6 -3.814 -1.101 1.109 1.00 0.00 ATOM 47 CD2 LEU A 6 -2.866 -1.457 3.356 1.00 0.00 ATOM 48 O LEU A 6 -6.189 -4.458 4.991 1.00 0.00 ATOM 49 C LEU A 6 -5.716 -4.751 3.895 1.00 0.00 ATOM 50 N GLU A 7 -6.332 -5.561 3.035 1.00 0.00 ATOM 51 CA GLU A 7 -7.666 -6.110 3.431 1.00 0.00 ATOM 52 CB GLU A 7 -8.254 -6.956 2.300 1.00 0.00 ATOM 53 CG GLU A 7 -9.641 -7.505 2.593 1.00 0.00 ATOM 54 CD GLU A 7 -10.215 -8.288 1.428 1.00 0.00 ATOM 55 OE1 GLU A 7 -9.535 -8.386 0.385 1.00 0.00 ATOM 56 OE2 GLU A 7 -11.345 -8.805 1.559 1.00 0.00 ATOM 57 O GLU A 7 -8.352 -6.948 5.633 1.00 0.00 ATOM 58 C GLU A 7 -7.546 -7.018 4.711 1.00 0.00 ATOM 59 N ILE A 8 -6.506 -7.850 4.744 1.00 0.00 ATOM 60 CA ILE A 8 -6.309 -8.672 5.888 1.00 0.00 ATOM 61 CB ILE A 8 -5.053 -9.551 5.742 1.00 0.00 ATOM 62 CG1 ILE A 8 -5.256 -10.591 4.638 1.00 0.00 ATOM 63 CG2 ILE A 8 -4.759 -10.281 7.043 1.00 0.00 ATOM 64 CD1 ILE A 8 -3.988 -11.316 4.242 1.00 0.00 ATOM 65 O ILE A 8 -6.670 -8.143 8.229 1.00 0.00 ATOM 66 C ILE A 8 -6.133 -7.838 7.171 1.00 0.00 ATOM 67 N LEU A 9 -5.275 -6.832 7.046 1.00 0.00 ATOM 68 CA LEU A 9 -4.983 -5.960 8.196 1.00 0.00 ATOM 69 CB LEU A 9 -3.928 -4.916 7.823 1.00 0.00 ATOM 70 CG LEU A 9 -2.507 -5.438 7.601 1.00 0.00 ATOM 71 CD1 LEU A 9 -1.610 -4.338 7.054 1.00 0.00 ATOM 72 CD2 LEU A 9 -1.907 -5.934 8.908 1.00 0.00 ATOM 73 O LEU A 9 -6.595 -5.095 9.864 1.00 0.00 ATOM 74 C LEU A 9 -6.232 -5.189 8.702 1.00 0.00 ATOM 75 N VAL A 10 -6.848 -4.568 7.696 1.00 0.00 ATOM 76 CA VAL A 10 -8.064 -3.740 8.064 1.00 0.00 ATOM 77 CB VAL A 10 -8.646 -3.016 6.836 1.00 0.00 ATOM 78 CG1 VAL A 10 -9.972 -2.357 7.185 1.00 0.00 ATOM 79 CG2 VAL A 10 -7.688 -1.940 6.348 1.00 0.00 ATOM 80 O VAL A 10 -9.769 -4.202 9.616 1.00 0.00 ATOM 81 C VAL A 10 -9.147 -4.612 8.640 1.00 0.00 ATOM 82 N CYS A 11 -9.321 -5.824 8.130 1.00 0.00 ATOM 83 CA CYS A 11 -10.236 -6.813 8.588 1.00 0.00 ATOM 84 CB CYS A 11 -10.121 -8.082 7.741 1.00 0.00 ATOM 85 SG CYS A 11 -11.292 -9.386 8.187 1.00 0.00 ATOM 86 O CYS A 11 -10.819 -7.137 10.925 1.00 0.00 ATOM 87 C CYS A 11 -9.953 -7.183 10.049 1.00 0.00 ATOM 88 N PRO A 12 -8.691 -7.551 10.294 1.00 0.00 ATOM 89 CA PRO A 12 -8.313 -7.942 11.664 1.00 0.00 ATOM 90 CB PRO A 12 -6.886 -8.475 11.517 1.00 0.00 ATOM 91 CG PRO A 12 -6.786 -8.882 10.085 1.00 0.00 ATOM 92 CD PRO A 12 -7.629 -7.906 9.313 1.00 0.00 ATOM 93 O PRO A 12 -8.820 -7.013 13.768 1.00 0.00 ATOM 94 C PRO A 12 -8.348 -6.787 12.658 1.00 0.00 ATOM 95 N LEU A 13 -7.909 -5.588 12.318 1.00 0.00 ATOM 96 CA LEU A 13 -8.033 -4.434 13.099 1.00 0.00 ATOM 97 CB LEU A 13 -7.633 -3.196 12.293 1.00 0.00 ATOM 98 CG LEU A 13 -6.138 -3.017 12.023 1.00 0.00 ATOM 99 CD1 LEU A 13 -5.905 -1.922 10.994 1.00 0.00 ATOM 100 CD2 LEU A 13 -5.403 -2.636 13.298 1.00 0.00 ATOM 101 O LEU A 13 -9.955 -4.143 14.743 1.00 0.00 ATOM 102 C LEU A 13 -9.555 -4.275 13.578 1.00 0.00 ATOM 103 N CYS A 14 -10.371 -4.256 12.526 1.00 0.00 ATOM 104 CA CYS A 14 -11.804 -4.027 12.875 1.00 0.00 ATOM 105 CB CYS A 14 -12.586 -3.557 11.647 1.00 0.00 ATOM 106 SG CYS A 14 -12.087 -1.937 11.018 1.00 0.00 ATOM 107 O CYS A 14 -13.771 -5.199 13.731 1.00 0.00 ATOM 108 C CYS A 14 -12.583 -5.228 13.407 1.00 0.00 ATOM 109 N LYS A 15 -11.855 -6.337 13.447 1.00 0.00 ATOM 110 CA LYS A 15 -12.413 -7.653 13.833 1.00 0.00 ATOM 111 CB LYS A 15 -13.542 -7.479 14.851 1.00 0.00 ATOM 112 CG LYS A 15 -14.141 -8.786 15.343 1.00 0.00 ATOM 113 CD LYS A 15 -15.215 -8.541 16.390 1.00 0.00 ATOM 114 CE LYS A 15 -15.813 -9.849 16.884 1.00 0.00 ATOM 115 NZ LYS A 15 -16.857 -9.625 17.922 1.00 0.00 ATOM 116 O LYS A 15 -12.372 -9.476 12.348 1.00 0.00 ATOM 117 C LYS A 15 -12.969 -8.387 12.665 1.00 0.00 ATOM 118 N GLY A 16 -14.008 -7.917 11.991 1.00 0.00 ATOM 119 CA GLY A 16 -14.559 -8.432 10.795 1.00 0.00 ATOM 120 O GLY A 16 -13.187 -7.344 9.181 1.00 0.00 ATOM 121 C GLY A 16 -14.140 -8.098 9.387 1.00 0.00 ATOM 122 N PRO A 17 -14.788 -8.723 8.410 1.00 0.00 ATOM 123 CA PRO A 17 -14.495 -8.489 6.996 1.00 0.00 ATOM 124 CB PRO A 17 -15.445 -9.436 6.260 1.00 0.00 ATOM 125 CG PRO A 17 -15.733 -10.518 7.246 1.00 0.00 ATOM 126 CD PRO A 17 -15.804 -9.849 8.590 1.00 0.00 ATOM 127 O PRO A 17 -15.677 -6.642 5.926 1.00 0.00 ATOM 128 C PRO A 17 -14.662 -7.166 6.380 1.00 0.00 ATOM 129 N LEU A 18 -13.508 -6.532 6.496 1.00 0.00 ATOM 130 CA LEU A 18 -12.888 -5.172 6.069 1.00 0.00 ATOM 131 CB LEU A 18 -11.676 -4.838 6.942 1.00 0.00 ATOM 132 CG LEU A 18 -11.952 -4.626 8.432 1.00 0.00 ATOM 133 CD1 LEU A 18 -10.651 -4.444 9.198 1.00 0.00 ATOM 134 CD2 LEU A 18 -12.809 -3.389 8.649 1.00 0.00 ATOM 135 O LEU A 18 -11.390 -5.724 4.208 1.00 0.00 ATOM 136 C LEU A 18 -12.327 -4.994 4.536 1.00 0.00 ATOM 137 N VAL A 19 -12.817 -4.054 3.736 1.00 0.00 ATOM 138 CA VAL A 19 -11.979 -3.992 2.574 1.00 0.00 ATOM 139 CB VAL A 19 -12.721 -4.481 1.316 1.00 0.00 ATOM 140 CG1 VAL A 19 -11.843 -4.323 0.085 1.00 0.00 ATOM 141 CG2 VAL A 19 -13.094 -5.949 1.455 1.00 0.00 ATOM 142 O VAL A 19 -12.113 -1.297 2.945 1.00 0.00 ATOM 143 C VAL A 19 -11.607 -2.345 2.499 1.00 0.00 ATOM 144 N PHE A 20 -10.402 -2.398 1.934 1.00 0.00 ATOM 145 CA PHE A 20 -9.395 -1.433 1.471 1.00 0.00 ATOM 146 CB PHE A 20 -7.993 -1.878 1.893 1.00 0.00 ATOM 147 CG PHE A 20 -6.909 -0.914 1.503 1.00 0.00 ATOM 148 CD1 PHE A 20 -6.724 0.263 2.208 1.00 0.00 ATOM 149 CD2 PHE A 20 -6.074 -1.184 0.433 1.00 0.00 ATOM 150 CE1 PHE A 20 -5.726 1.150 1.850 1.00 0.00 ATOM 151 CE2 PHE A 20 -5.076 -0.297 0.075 1.00 0.00 ATOM 152 CZ PHE A 20 -4.900 0.866 0.778 1.00 0.00 ATOM 153 O PHE A 20 -9.648 -2.168 -1.150 1.00 0.00 ATOM 154 C PHE A 20 -9.510 -1.376 -0.218 1.00 0.00 ATOM 155 N ASP A 21 -9.702 -0.069 -0.339 1.00 0.00 ATOM 156 CA ASP A 21 -9.919 0.901 -1.481 1.00 0.00 ATOM 157 CB ASP A 21 -10.552 2.197 -0.970 1.00 0.00 ATOM 158 CG ASP A 21 -10.943 3.136 -2.094 1.00 0.00 ATOM 159 OD1 ASP A 21 -10.800 2.746 -3.272 1.00 0.00 ATOM 160 OD2 ASP A 21 -11.393 4.263 -1.797 1.00 0.00 ATOM 161 O ASP A 21 -8.351 2.290 -1.571 1.00 0.00 ATOM 162 C ASP A 21 -8.799 1.222 -2.085 1.00 0.00 ATOM 163 N LYS A 22 -8.169 0.473 -2.922 1.00 0.00 ATOM 164 CA LYS A 22 -6.658 0.859 -3.432 1.00 0.00 ATOM 165 CB LYS A 22 -6.019 -0.325 -4.160 1.00 0.00 ATOM 166 CG LYS A 22 -6.664 -0.652 -5.498 1.00 0.00 ATOM 167 CD LYS A 22 -6.006 -1.858 -6.148 1.00 0.00 ATOM 168 CE LYS A 22 -6.624 -2.161 -7.503 1.00 0.00 ATOM 169 NZ LYS A 22 -5.968 -3.322 -8.166 1.00 0.00 ATOM 170 O LYS A 22 -5.787 2.762 -4.531 1.00 0.00 ATOM 171 C LYS A 22 -6.778 2.051 -4.384 1.00 0.00 ATOM 172 N SER A 23 -7.942 2.302 -4.968 1.00 0.00 ATOM 173 CA SER A 23 -8.225 3.356 -5.830 1.00 0.00 ATOM 174 CB SER A 23 -9.663 3.257 -6.343 1.00 0.00 ATOM 175 OG SER A 23 -9.833 2.118 -7.168 1.00 0.00 ATOM 176 O SER A 23 -7.307 5.672 -5.332 1.00 0.00 ATOM 177 C SER A 23 -8.052 4.723 -5.083 1.00 0.00 ATOM 178 N LYS A 24 -8.923 4.730 -4.067 1.00 0.00 ATOM 179 CA LYS A 24 -8.921 6.126 -3.324 1.00 0.00 ATOM 180 CB LYS A 24 -10.286 6.396 -2.687 1.00 0.00 ATOM 181 CG LYS A 24 -11.429 6.490 -3.684 1.00 0.00 ATOM 182 CD LYS A 24 -11.266 7.694 -4.597 1.00 0.00 ATOM 183 CE LYS A 24 -12.452 7.838 -5.538 1.00 0.00 ATOM 184 NZ LYS A 24 -12.313 9.021 -6.431 1.00 0.00 ATOM 185 O LYS A 24 -7.537 7.159 -1.797 1.00 0.00 ATOM 186 C LYS A 24 -7.860 6.066 -2.263 1.00 0.00 ATOM 187 N ASP A 25 -7.221 4.935 -1.969 1.00 0.00 ATOM 188 CA ASP A 25 -6.027 5.134 -1.070 1.00 0.00 ATOM 189 CB ASP A 25 -5.160 6.288 -1.578 1.00 0.00 ATOM 190 CG ASP A 25 -3.784 6.307 -0.942 1.00 0.00 ATOM 191 OD1 ASP A 25 -3.413 5.303 -0.298 1.00 0.00 ATOM 192 OD2 ASP A 25 -3.077 7.326 -1.086 1.00 0.00 ATOM 193 O ASP A 25 -6.565 6.480 0.895 1.00 0.00 ATOM 194 C ASP A 25 -6.729 5.437 0.252 1.00 0.00 ATOM 195 N GLU A 26 -7.590 4.500 0.637 1.00 0.00 ATOM 196 CA GLU A 26 -8.249 4.976 2.008 1.00 0.00 ATOM 197 CB GLU A 26 -9.630 5.585 1.756 1.00 0.00 ATOM 198 CG GLU A 26 -9.609 6.833 0.890 1.00 0.00 ATOM 199 CD GLU A 26 -10.995 7.401 0.652 1.00 0.00 ATOM 200 OE1 GLU A 26 -11.964 6.859 1.223 1.00 0.00 ATOM 201 OE2 GLU A 26 -11.111 8.386 -0.106 1.00 0.00 ATOM 202 O GLU A 26 -8.509 2.617 2.331 1.00 0.00 ATOM 203 C GLU A 26 -8.369 3.688 2.917 1.00 0.00 ATOM 204 N LEU A 27 -8.611 3.840 4.213 1.00 0.00 ATOM 205 CA LEU A 27 -8.984 2.570 4.856 1.00 0.00 ATOM 206 CB LEU A 27 -8.298 2.437 6.217 1.00 0.00 ATOM 207 CG LEU A 27 -6.833 1.993 6.197 1.00 0.00 ATOM 208 CD1 LEU A 27 -5.987 2.967 5.393 1.00 0.00 ATOM 209 CD2 LEU A 27 -6.272 1.928 7.609 1.00 0.00 ATOM 210 O LEU A 27 -11.035 3.505 5.264 1.00 0.00 ATOM 211 C LEU A 27 -10.354 2.510 5.048 1.00 0.00 ATOM 212 N ILE A 28 -10.882 1.303 4.957 1.00 0.00 ATOM 213 CA ILE A 28 -12.526 1.197 4.978 1.00 0.00 ATOM 214 CB ILE A 28 -13.109 1.186 3.553 1.00 0.00 ATOM 215 CG1 ILE A 28 -12.663 2.432 2.785 1.00 0.00 ATOM 216 CG2 ILE A 28 -14.629 1.167 3.599 1.00 0.00 ATOM 217 CD1 ILE A 28 -13.074 2.431 1.328 1.00 0.00 ATOM 218 O ILE A 28 -12.214 -1.164 5.304 1.00 0.00 ATOM 219 C ILE A 28 -12.739 -0.126 5.704 1.00 0.00 ATOM 220 N CYS A 29 -13.483 -0.075 6.805 1.00 0.00 ATOM 221 CA CYS A 29 -13.796 -1.295 7.551 1.00 0.00 ATOM 222 CB CYS A 29 -13.689 -1.045 9.057 1.00 0.00 ATOM 223 SG CYS A 29 -12.029 -0.606 9.624 1.00 0.00 ATOM 224 O CYS A 29 -15.968 -0.614 7.181 1.00 0.00 ATOM 225 C CYS A 29 -15.193 -1.564 7.105 1.00 0.00 ATOM 226 N LYS A 30 -15.570 -2.813 6.848 1.00 0.00 ATOM 227 CA LYS A 30 -16.992 -3.128 6.625 1.00 0.00 ATOM 228 CB LYS A 30 -17.154 -4.579 6.169 1.00 0.00 ATOM 229 CG LYS A 30 -16.438 -4.905 4.868 1.00 0.00 ATOM 230 CD LYS A 30 -17.005 -4.100 3.709 1.00 0.00 ATOM 231 CE LYS A 30 -16.220 -4.345 2.431 1.00 0.00 ATOM 232 NZ LYS A 30 -14.878 -3.702 2.472 1.00 0.00 ATOM 233 O LYS A 30 -19.064 -3.084 7.649 1.00 0.00 ATOM 234 C LYS A 30 -17.849 -2.973 7.806 1.00 0.00 ATOM 235 N GLY A 31 -17.271 -2.578 8.929 1.00 0.00 ATOM 236 CA GLY A 31 -17.912 -2.255 10.206 1.00 0.00 ATOM 237 O GLY A 31 -19.945 -0.612 10.100 1.00 0.00 ATOM 238 C GLY A 31 -18.742 -0.852 10.202 1.00 0.00 ATOM 239 N ASP A 32 -17.837 0.108 10.375 1.00 0.00 ATOM 240 CA ASP A 32 -18.535 1.487 10.443 1.00 0.00 ATOM 241 CB ASP A 32 -17.719 2.459 11.298 1.00 0.00 ATOM 242 CG ASP A 32 -17.764 2.116 12.774 1.00 0.00 ATOM 243 OD1 ASP A 32 -18.635 1.313 13.171 1.00 0.00 ATOM 244 OD2 ASP A 32 -16.928 2.650 13.533 1.00 0.00 ATOM 245 O ASP A 32 -19.410 3.217 8.919 1.00 0.00 ATOM 246 C ASP A 32 -18.732 2.185 9.020 1.00 0.00 ATOM 247 N ARG A 33 -18.072 1.629 7.994 1.00 0.00 ATOM 248 CA ARG A 33 -17.970 2.176 6.749 1.00 0.00 ATOM 249 CB ARG A 33 -19.329 2.166 6.046 1.00 0.00 ATOM 250 CG ARG A 33 -19.872 0.774 5.765 1.00 0.00 ATOM 251 CD ARG A 33 -21.158 0.835 4.958 1.00 0.00 ATOM 252 NE ARG A 33 -21.794 -0.475 4.840 1.00 0.00 ATOM 253 CZ ARG A 33 -22.955 -0.690 4.231 1.00 0.00 ATOM 254 NH1 ARG A 33 -23.457 -1.916 4.173 1.00 0.00 ATOM 255 NH2 ARG A 33 -23.612 0.322 3.680 1.00 0.00 ATOM 256 O ARG A 33 -17.854 4.438 5.907 1.00 0.00 ATOM 257 C ARG A 33 -17.500 3.593 6.729 1.00 0.00 ATOM 258 N LEU A 34 -16.573 3.825 7.656 1.00 0.00 ATOM 259 CA LEU A 34 -15.841 5.099 7.917 1.00 0.00 ATOM 260 CB LEU A 34 -16.023 5.533 9.373 1.00 0.00 ATOM 261 CG LEU A 34 -17.461 5.784 9.831 1.00 0.00 ATOM 262 CD1 LEU A 34 -17.505 6.086 11.321 1.00 0.00 ATOM 263 CD2 LEU A 34 -18.063 6.966 9.088 1.00 0.00 ATOM 264 O LEU A 34 -13.783 3.819 7.726 1.00 0.00 ATOM 265 C LEU A 34 -14.317 4.919 7.643 1.00 0.00 ATOM 266 N ALA A 35 -13.640 6.008 7.285 1.00 0.00 ATOM 267 CA ALA A 35 -12.233 5.886 7.022 1.00 0.00 ATOM 268 CB ALA A 35 -11.700 7.161 6.387 1.00 0.00 ATOM 269 O ALA A 35 -11.645 6.148 9.133 1.00 0.00 ATOM 270 C ALA A 35 -11.393 5.663 8.032 1.00 0.00 ATOM 271 N PHE A 36 -10.333 4.904 7.821 1.00 0.00 ATOM 272 CA PHE A 36 -9.405 4.400 9.081 1.00 0.00 ATOM 273 CB PHE A 36 -9.626 2.910 9.347 1.00 0.00 ATOM 274 CG PHE A 36 -11.035 2.566 9.738 1.00 0.00 ATOM 275 CD1 PHE A 36 -11.962 2.188 8.782 1.00 0.00 ATOM 276 CD2 PHE A 36 -11.434 2.622 11.062 1.00 0.00 ATOM 277 CE1 PHE A 36 -13.258 1.872 9.143 1.00 0.00 ATOM 278 CE2 PHE A 36 -12.730 2.306 11.422 1.00 0.00 ATOM 279 CZ PHE A 36 -13.641 1.932 10.469 1.00 0.00 ATOM 280 O PHE A 36 -7.726 4.426 7.429 1.00 0.00 ATOM 281 C PHE A 36 -7.985 4.694 8.606 1.00 0.00 ATOM 282 N PRO A 37 -7.092 5.220 9.446 1.00 0.00 ATOM 283 CA PRO A 37 -5.774 5.509 8.943 1.00 0.00 ATOM 284 CB PRO A 37 -5.015 6.022 10.168 1.00 0.00 ATOM 285 CG PRO A 37 -6.078 6.550 11.073 1.00 0.00 ATOM 286 CD PRO A 37 -7.259 5.635 10.906 1.00 0.00 ATOM 287 O PRO A 37 -4.904 3.630 9.236 1.00 0.00 ATOM 288 C PRO A 37 -5.053 4.532 8.401 1.00 0.00 ATOM 289 N ILE A 38 -4.553 4.453 7.177 1.00 0.00 ATOM 290 CA ILE A 38 -3.707 2.966 7.018 1.00 0.00 ATOM 291 CB ILE A 38 -4.410 2.020 6.027 1.00 0.00 ATOM 292 CG1 ILE A 38 -3.670 0.683 5.949 1.00 0.00 ATOM 293 CG2 ILE A 38 -4.442 2.634 4.636 1.00 0.00 ATOM 294 CD1 ILE A 38 -4.452 -0.409 5.253 1.00 0.00 ATOM 295 O ILE A 38 -2.323 4.629 5.685 1.00 0.00 ATOM 296 C ILE A 38 -2.358 3.699 6.489 1.00 0.00 ATOM 297 N LYS A 39 -1.283 3.249 7.123 1.00 0.00 ATOM 298 CA LYS A 39 0.028 3.643 6.852 1.00 0.00 ATOM 299 CB LYS A 39 0.811 3.831 8.153 1.00 0.00 ATOM 300 CG LYS A 39 0.301 4.967 9.025 1.00 0.00 ATOM 301 CD LYS A 39 1.079 5.055 10.328 1.00 0.00 ATOM 302 CE LYS A 39 0.592 6.212 11.185 1.00 0.00 ATOM 303 NZ LYS A 39 1.487 6.454 12.351 1.00 0.00 ATOM 304 O LYS A 39 1.463 1.800 6.571 1.00 0.00 ATOM 305 C LYS A 39 0.903 2.766 6.046 1.00 0.00 ATOM 306 N ASP A 40 0.985 2.972 4.728 1.00 0.00 ATOM 307 CA ASP A 40 1.698 2.100 3.807 1.00 0.00 ATOM 308 CB ASP A 40 2.879 1.429 4.511 1.00 0.00 ATOM 309 CG ASP A 40 4.016 2.392 4.789 1.00 0.00 ATOM 310 OD1 ASP A 40 3.996 3.511 4.233 1.00 0.00 ATOM 311 OD2 ASP A 40 4.926 2.029 5.563 1.00 0.00 ATOM 312 O ASP A 40 -0.472 1.057 2.619 1.00 0.00 ATOM 313 C ASP A 40 0.423 1.085 3.452 1.00 0.00 ATOM 314 N GLY A 41 0.673 0.104 4.322 1.00 0.00 ATOM 315 CA GLY A 41 -0.584 -0.918 4.160 1.00 0.00 ATOM 316 O GLY A 41 -1.997 -2.050 5.608 1.00 0.00 ATOM 317 C GLY A 41 -1.004 -1.323 5.467 1.00 0.00 ATOM 318 N ILE A 42 -0.340 -0.831 6.510 1.00 0.00 ATOM 319 CA ILE A 42 -0.738 -1.257 7.942 1.00 0.00 ATOM 320 CB ILE A 42 0.355 -0.893 8.964 1.00 0.00 ATOM 321 CG1 ILE A 42 1.672 -1.585 8.606 1.00 0.00 ATOM 322 CG2 ILE A 42 -0.055 -1.330 10.361 1.00 0.00 ATOM 323 CD1 ILE A 42 2.844 -1.145 9.456 1.00 0.00 ATOM 324 O ILE A 42 -2.113 0.696 8.680 1.00 0.00 ATOM 325 C ILE A 42 -2.109 -0.477 8.311 1.00 0.00 ATOM 326 N PRO A 43 -3.216 -1.188 8.146 1.00 0.00 ATOM 327 CA PRO A 43 -4.453 -0.670 8.483 1.00 0.00 ATOM 328 CB PRO A 43 -5.445 -1.571 7.745 1.00 0.00 ATOM 329 CG PRO A 43 -4.760 -2.894 7.664 1.00 0.00 ATOM 330 CD PRO A 43 -3.299 -2.595 7.473 1.00 0.00 ATOM 331 O PRO A 43 -3.980 -1.747 10.585 1.00 0.00 ATOM 332 C PRO A 43 -4.509 -0.787 9.972 1.00 0.00 ATOM 333 N MET A 44 -5.215 0.163 10.564 1.00 0.00 ATOM 334 CA MET A 44 -5.355 0.250 12.058 1.00 0.00 ATOM 335 CB MET A 44 -4.154 0.976 12.667 1.00 0.00 ATOM 336 CG MET A 44 -4.217 1.119 14.179 1.00 0.00 ATOM 337 SD MET A 44 -2.746 1.904 14.866 1.00 0.00 ATOM 338 CE MET A 44 -2.998 3.601 14.352 1.00 0.00 ATOM 339 O MET A 44 -6.727 2.082 11.994 1.00 0.00 ATOM 340 C MET A 44 -6.554 0.974 12.500 1.00 0.00 ATOM 341 N MET A 45 -7.477 0.370 13.237 1.00 0.00 ATOM 342 CA MET A 45 -8.675 1.178 13.659 1.00 0.00 ATOM 343 CB MET A 45 -9.967 0.503 13.195 1.00 0.00 ATOM 344 CG MET A 45 -10.144 0.472 11.686 1.00 0.00 ATOM 345 SD MET A 45 -11.728 -0.230 11.185 1.00 0.00 ATOM 346 CE MET A 45 -11.468 -1.960 11.568 1.00 0.00 ATOM 347 O MET A 45 -7.886 1.045 16.019 1.00 0.00 ATOM 348 C MET A 45 -8.792 1.365 15.253 1.00 0.00 ATOM 349 N LEU A 46 -9.907 1.959 15.663 1.00 0.00 ATOM 350 CA LEU A 46 -10.098 2.157 17.044 1.00 0.00 ATOM 351 CB LEU A 46 -10.533 3.597 17.324 1.00 0.00 ATOM 352 CG LEU A 46 -9.597 4.698 16.822 1.00 0.00 ATOM 353 CD1 LEU A 46 -10.207 6.071 17.056 1.00 0.00 ATOM 354 CD2 LEU A 46 -8.262 4.641 17.549 1.00 0.00 ATOM 355 O LEU A 46 -11.763 0.414 16.808 1.00 0.00 ATOM 356 C LEU A 46 -11.164 1.213 17.525 1.00 0.00 ATOM 357 N GLU A 47 -11.212 1.142 18.875 1.00 0.00 ATOM 358 CA GLU A 47 -12.008 0.263 19.728 1.00 0.00 ATOM 359 CB GLU A 47 -11.858 0.662 21.197 1.00 0.00 ATOM 360 CG GLU A 47 -12.634 -0.219 22.162 1.00 0.00 ATOM 361 CD GLU A 47 -12.428 0.181 23.610 1.00 0.00 ATOM 362 OE1 GLU A 47 -11.652 1.126 23.861 1.00 0.00 ATOM 363 OE2 GLU A 47 -13.044 -0.451 24.494 1.00 0.00 ATOM 364 O GLU A 47 -14.169 -0.614 19.112 1.00 0.00 ATOM 365 C GLU A 47 -13.490 0.388 19.308 1.00 0.00 ATOM 366 N SER A 48 -13.970 1.615 19.115 1.00 0.00 ATOM 367 CA SER A 48 -15.306 1.816 18.654 1.00 0.00 ATOM 368 CB SER A 48 -15.614 3.310 18.540 1.00 0.00 ATOM 369 OG SER A 48 -15.611 3.930 19.814 1.00 0.00 ATOM 370 O SER A 48 -16.627 0.656 17.117 1.00 0.00 ATOM 371 C SER A 48 -15.554 1.212 17.314 1.00 0.00 ATOM 372 N GLU A 49 -14.610 1.336 16.388 1.00 0.00 ATOM 373 CA GLU A 49 -14.657 0.761 15.061 1.00 0.00 ATOM 374 CB GLU A 49 -13.369 1.072 14.296 1.00 0.00 ATOM 375 CG GLU A 49 -13.182 2.545 13.968 1.00 0.00 ATOM 376 CD GLU A 49 -12.655 3.341 15.145 1.00 0.00 ATOM 377 OE1 GLU A 49 -12.377 2.731 16.199 1.00 0.00 ATOM 378 OE2 GLU A 49 -12.518 4.576 15.014 1.00 0.00 ATOM 379 O GLU A 49 -15.711 -1.342 14.488 1.00 0.00 ATOM 380 C GLU A 49 -14.816 -0.757 15.100 1.00 0.00 ATOM 381 N ALA A 50 -13.920 -1.395 15.862 1.00 0.00 ATOM 382 CA ALA A 50 -13.978 -2.865 15.970 1.00 0.00 ATOM 383 CB ALA A 50 -12.856 -3.376 16.860 1.00 0.00 ATOM 384 O ALA A 50 -16.065 -4.252 16.171 1.00 0.00 ATOM 385 C ALA A 50 -15.370 -3.343 16.599 1.00 0.00 ATOM 386 N ARG A 51 -15.643 -2.692 17.730 1.00 0.00 ATOM 387 CA ARG A 51 -16.878 -3.066 18.418 1.00 0.00 ATOM 388 CB ARG A 51 -17.033 -2.266 19.713 1.00 0.00 ATOM 389 CG ARG A 51 -16.057 -2.663 20.808 1.00 0.00 ATOM 390 CD ARG A 51 -16.217 -1.782 22.037 1.00 0.00 ATOM 391 NE ARG A 51 -15.266 -2.132 23.089 1.00 0.00 ATOM 392 CZ ARG A 51 -15.145 -1.472 24.236 1.00 0.00 ATOM 393 NH1 ARG A 51 -14.252 -1.863 25.135 1.00 0.00 ATOM 394 NH2 ARG A 51 -15.917 -0.423 24.482 1.00 0.00 ATOM 395 O ARG A 51 -19.038 -3.638 17.532 1.00 0.00 ATOM 396 C ARG A 51 -18.135 -2.809 17.574 1.00 0.00 ATOM 397 N GLU A 52 -18.165 -1.694 16.846 1.00 0.00 ATOM 398 CA GLU A 52 -19.269 -1.415 15.970 1.00 0.00 ATOM 399 CB GLU A 52 -19.187 0.019 15.444 1.00 0.00 ATOM 400 CG GLU A 52 -19.415 1.083 16.506 1.00 0.00 ATOM 401 CD GLU A 52 -19.218 2.489 15.973 1.00 0.00 ATOM 402 OE1 GLU A 52 -18.880 2.630 14.779 1.00 0.00 ATOM 403 OE2 GLU A 52 -19.403 3.450 16.749 1.00 0.00 ATOM 404 O GLU A 52 -20.316 -2.287 13.934 1.00 0.00 ATOM 405 C GLU A 52 -19.365 -2.326 14.711 1.00 0.00 ATOM 406 N LEU A 53 -18.286 -3.068 14.491 1.00 0.00 ATOM 407 CA LEU A 53 -18.277 -3.948 13.318 1.00 0.00 ATOM 408 CB LEU A 53 -16.842 -4.210 12.856 1.00 0.00 ATOM 409 CG LEU A 53 -16.035 -2.984 12.424 1.00 0.00 ATOM 410 CD1 LEU A 53 -14.608 -3.377 12.073 1.00 0.00 ATOM 411 CD2 LEU A 53 -16.662 -2.330 11.203 1.00 0.00 ATOM 412 O LEU A 53 -18.946 -5.286 15.004 1.00 0.00 ATOM 413 C LEU A 53 -18.892 -5.087 13.793 1.00 0.00 ATOM 414 N ALA A 54 -19.533 -5.855 12.915 1.00 0.00 ATOM 415 CA ALA A 54 -20.249 -7.190 13.434 1.00 0.00 ATOM 416 CB ALA A 54 -21.607 -6.863 14.037 1.00 0.00 ATOM 417 O ALA A 54 -20.001 -7.506 11.105 1.00 0.00 ATOM 418 C ALA A 54 -20.351 -7.989 12.180 1.00 0.00 ATOM 419 N PRO A 55 -20.756 -9.251 12.298 1.00 0.00 ATOM 420 CA PRO A 55 -20.822 -10.182 11.166 1.00 0.00 ATOM 421 CB PRO A 55 -21.415 -11.457 11.769 1.00 0.00 ATOM 422 CG PRO A 55 -21.007 -11.417 13.204 1.00 0.00 ATOM 423 CD PRO A 55 -21.097 -9.976 13.622 1.00 0.00 ATOM 424 O PRO A 55 -21.472 -9.594 8.852 1.00 0.00 ATOM 425 C PRO A 55 -21.740 -9.563 10.054 1.00 0.00 ATOM 426 N GLU A 56 -22.859 -9.016 10.527 1.00 0.00 ATOM 427 CA GLU A 56 -23.806 -8.474 9.548 1.00 0.00 ATOM 428 CB GLU A 56 -25.168 -8.227 10.200 1.00 0.00 ATOM 429 CG GLU A 56 -25.919 -9.496 10.567 1.00 0.00 ATOM 430 CD GLU A 56 -27.195 -9.216 11.337 1.00 0.00 ATOM 431 OE1 GLU A 56 -27.456 -8.034 11.644 1.00 0.00 ATOM 432 OE2 GLU A 56 -27.934 -10.179 11.633 1.00 0.00 ATOM 433 O GLU A 56 -23.337 -6.952 7.795 1.00 0.00 ATOM 434 C GLU A 56 -23.280 -7.175 9.010 1.00 0.00 ATOM 435 N GLU A 57 -22.787 -6.297 9.884 1.00 0.00 ATOM 436 CA GLU A 57 -22.214 -5.024 9.488 1.00 0.00 ATOM 437 CB GLU A 57 -21.630 -4.299 10.702 1.00 0.00 ATOM 438 CG GLU A 57 -22.675 -3.765 11.668 1.00 0.00 ATOM 439 CD GLU A 57 -23.630 -2.787 11.012 1.00 0.00 ATOM 440 OE1 GLU A 57 -23.151 -1.821 10.381 1.00 0.00 ATOM 441 OE2 GLU A 57 -24.857 -2.987 11.128 1.00 0.00 ATOM 442 O GLU A 57 -21.003 -4.453 7.441 1.00 0.00 ATOM 443 C GLU A 57 -21.057 -5.166 8.438 1.00 0.00 ATOM 444 N GLU A 58 -20.159 -6.122 8.672 1.00 0.00 ATOM 445 CA GLU A 58 -19.112 -6.349 7.737 1.00 0.00 ATOM 446 CB GLU A 58 -18.176 -7.451 8.238 1.00 0.00 ATOM 447 CG GLU A 58 -17.313 -7.042 9.421 1.00 0.00 ATOM 448 CD GLU A 58 -16.432 -5.847 9.114 1.00 0.00 ATOM 449 OE1 GLU A 58 -15.707 -5.889 8.098 1.00 0.00 ATOM 450 OE2 GLU A 58 -16.467 -4.869 9.890 1.00 0.00 ATOM 451 O GLU A 58 -18.981 -6.327 5.409 1.00 0.00 ATOM 452 C GLU A 58 -19.562 -6.771 6.391 1.00 0.00 ATOM 453 N VAL A 59 -20.573 -7.630 6.320 1.00 0.00 ATOM 454 CA VAL A 59 -21.196 -8.093 5.081 1.00 0.00 ATOM 455 CB VAL A 59 -22.395 -9.017 5.363 1.00 0.00 ATOM 456 CG1 VAL A 59 -23.146 -9.324 4.076 1.00 0.00 ATOM 457 CG2 VAL A 59 -21.925 -10.330 5.970 1.00 0.00 ATOM 458 O VAL A 59 -21.503 -6.729 3.017 1.00 0.00 ATOM 459 C VAL A 59 -21.729 -6.891 4.206 1.00 0.00 ATOM 460 N LYS A 60 -22.548 -6.104 4.904 1.00 0.00 ATOM 461 CA LYS A 60 -23.155 -4.965 4.176 1.00 0.00 ATOM 462 CB LYS A 60 -24.082 -4.172 5.099 1.00 0.00 ATOM 463 CG LYS A 60 -25.362 -4.904 5.471 1.00 0.00 ATOM 464 CD LYS A 60 -26.235 -4.059 6.385 1.00 0.00 ATOM 465 CE LYS A 60 -27.503 -4.801 6.776 1.00 0.00 ATOM 466 NZ LYS A 60 -28.353 -3.998 7.699 1.00 0.00 ATOM 467 O LYS A 60 -22.006 -3.553 2.522 1.00 0.00 ATOM 468 C LYS A 60 -21.999 -4.018 3.657 1.00 0.00 ATOM 469 N LEU A 61 -21.019 -3.760 4.520 1.00 0.00 ATOM 470 CA LEU A 61 -19.941 -2.938 4.115 1.00 0.00 ATOM 471 CB LEU A 61 -18.982 -2.699 5.283 1.00 0.00 ATOM 472 CG LEU A 61 -17.771 -1.808 4.994 1.00 0.00 ATOM 473 CD1 LEU A 61 -18.216 -0.413 4.582 1.00 0.00 ATOM 474 CD2 LEU A 61 -16.890 -1.682 6.227 1.00 0.00 ATOM 475 O LEU A 61 -18.661 -2.867 2.075 1.00 0.00 ATOM 476 C LEU A 61 -19.132 -3.534 2.994 1.00 0.00 ATOM 477 N GLU A 62 -19.003 -4.857 3.067 1.00 0.00 ATOM 478 CA GLU A 62 -18.194 -5.555 1.985 1.00 0.00 ATOM 479 CB GLU A 62 -18.087 -7.053 2.278 1.00 0.00 ATOM 480 CG GLU A 62 -17.239 -7.822 1.278 1.00 0.00 ATOM 481 CD GLU A 62 -17.108 -9.290 1.633 1.00 0.00 ATOM 482 OE1 GLU A 62 -17.665 -9.702 2.672 1.00 0.00 ATOM 483 OE2 GLU A 62 -16.449 -10.029 0.871 1.00 0.00 ATOM 484 O GLU A 62 -18.144 -5.194 -0.336 1.00 0.00 ATOM 485 C GLU A 62 -18.855 -5.375 0.644 1.00 0.00 ATOM 486 N HIS A 63 -20.179 -5.467 0.583 1.00 0.00 ATOM 487 CA HIS A 63 -20.971 -5.265 -0.592 1.00 0.00 ATOM 488 CB HIS A 63 -22.459 -5.406 -0.266 1.00 0.00 ATOM 489 CG HIS A 63 -23.360 -5.152 -1.434 1.00 0.00 ATOM 490 CD2 HIS A 63 -24.246 -4.073 -1.847 1.00 0.00 ATOM 491 ND1 HIS A 63 -23.513 -6.053 -2.466 1.00 0.00 ATOM 492 CE1 HIS A 63 -24.381 -5.549 -3.362 1.00 0.00 ATOM 493 NE2 HIS A 63 -24.824 -4.362 -2.997 1.00 0.00 ATOM 494 O HIS A 63 -20.506 -3.774 -2.409 1.00 0.00 ATOM 495 C HIS A 63 -20.792 -3.908 -1.218 1.00 0.00 ATOM 496 N HIS A 64 -20.925 -2.872 -0.381 1.00 0.00 ATOM 497 CA HIS A 64 -20.754 -1.482 -0.883 1.00 0.00 ATOM 498 CB HIS A 64 -20.984 -0.473 0.244 1.00 0.00 ATOM 499 CG HIS A 64 -20.774 0.951 -0.168 1.00 0.00 ATOM 500 CD2 HIS A 64 -19.745 1.956 0.057 1.00 0.00 ATOM 501 ND1 HIS A 64 -21.674 1.639 -0.952 1.00 0.00 ATOM 502 CE1 HIS A 64 -21.215 2.888 -1.152 1.00 0.00 ATOM 503 NE2 HIS A 64 -20.058 3.084 -0.550 1.00 0.00 ATOM 504 O HIS A 64 -19.049 -0.688 -2.511 1.00 0.00 ATOM 505 C HIS A 64 -19.290 -1.256 -1.456 1.00 0.00 ATOM 506 N HIS A 65 -18.337 -1.672 -0.621 1.00 0.00 ATOM 507 CA HIS A 65 -16.957 -1.517 -1.026 1.00 0.00 ATOM 508 CB HIS A 65 -16.019 -2.097 0.035 1.00 0.00 ATOM 509 CG HIS A 65 -14.567 -1.952 -0.299 1.00 0.00 ATOM 510 CD2 HIS A 65 -13.559 -0.916 -0.121 1.00 0.00 ATOM 511 ND1 HIS A 65 -13.845 -2.942 -0.930 1.00 0.00 ATOM 512 CE1 HIS A 65 -12.578 -2.523 -1.093 1.00 0.00 ATOM 513 NE2 HIS A 65 -12.399 -1.309 -0.610 1.00 0.00 ATOM 514 O HIS A 65 -16.030 -1.739 -3.303 1.00 0.00 ATOM 515 C HIS A 65 -16.665 -2.261 -2.392 1.00 0.00 ATOM 516 N HIS A 66 -17.165 -3.491 -2.493 1.00 0.00 ATOM 517 CA HIS A 66 -16.962 -4.209 -3.708 1.00 0.00 ATOM 518 CB HIS A 66 -17.530 -5.625 -3.595 1.00 0.00 ATOM 519 CG HIS A 66 -17.354 -6.448 -4.833 1.00 0.00 ATOM 520 CD2 HIS A 66 -18.231 -6.943 -5.884 1.00 0.00 ATOM 521 ND1 HIS A 66 -16.130 -6.942 -5.231 1.00 0.00 ATOM 522 CE1 HIS A 66 -16.288 -7.636 -6.372 1.00 0.00 ATOM 523 NE2 HIS A 66 -17.546 -7.641 -6.770 1.00 0.00 ATOM 524 O HIS A 66 -17.059 -3.427 -5.977 1.00 0.00 ATOM 525 C HIS A 66 -17.637 -3.544 -4.902 1.00 0.00 ATOM 526 N HIS A 67 -18.856 -3.047 -4.698 1.00 0.00 ATOM 527 CA HIS A 67 -19.555 -2.366 -5.787 1.00 0.00 ATOM 528 CB HIS A 67 -20.968 -1.972 -5.353 1.00 0.00 ATOM 529 CG HIS A 67 -21.753 -1.269 -6.417 1.00 0.00 ATOM 530 CD2 HIS A 67 -22.206 0.096 -6.642 1.00 0.00 ATOM 531 ND1 HIS A 67 -22.247 -1.917 -7.528 1.00 0.00 ATOM 532 CE1 HIS A 67 -22.904 -1.030 -8.296 1.00 0.00 ATOM 533 NE2 HIS A 67 -22.883 0.180 -7.771 1.00 0.00 ATOM 534 O HIS A 67 -18.629 -0.836 -7.359 1.00 0.00 ATOM 535 C HIS A 67 -18.782 -1.108 -6.171 1.00 0.00 ATOM 536 N HIS A 68 -18.253 -0.386 -5.192 1.00 0.00 ATOM 537 CA HIS A 68 -17.455 0.773 -5.371 1.00 0.00 ATOM 538 CB HIS A 68 -17.013 1.334 -4.018 1.00 0.00 ATOM 539 CG HIS A 68 -16.198 2.585 -4.119 1.00 0.00 ATOM 540 CD2 HIS A 68 -14.800 2.933 -3.911 1.00 0.00 ATOM 541 ND1 HIS A 68 -16.738 3.798 -4.486 1.00 0.00 ATOM 542 CE1 HIS A 68 -15.767 4.728 -4.488 1.00 0.00 ATOM 543 NE2 HIS A 68 -14.601 4.216 -4.144 1.00 0.00 ATOM 544 O HIS A 68 -15.831 1.159 -7.132 1.00 0.00 ATOM 545 C HIS A 68 -16.202 0.494 -6.177 1.00 0.00 ENDMDL