Browse entries in the PDBbind-CN Database
HEADER 2LLO_COMPLEX COMPND 2LLO_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 80 ALA ASP GLN LEU THR GLU GLU GLN ILE ALA GLU PHE LYS SEQRES 2 A 80 GLU ALA PHE SER LEU PHE ASP LYS ASP GLY ASP GLY THR SEQRES 3 A 80 ILE THR THR LYS GLU LEU GLY THR VAL MET ARG SER LEU SEQRES 4 A 80 GLY GLN ASN PRO THR GLU ALA GLU LEU GLN ASP MET ILE SEQRES 5 A 80 ASN GLU VAL ASP ALA ASP GLY ASN GLY THR ILE ASP PHE SEQRES 6 A 80 PRO GLU PHE LEU THR MET MET ALA ARG LYS MET LYS ASP SEQRES 7 A 80 THR ASP HET CA A 1 1 HET CA A 2 1 HET ARG A 83 324 ATOM 1 N ALA A 1 25.505 -15.890 -2.468 1.00 2.58 N ATOM 2 CA ALA A 1 25.116 -14.469 -2.296 1.00 2.36 C ATOM 3 C ALA A 1 23.766 -14.369 -1.593 1.00 2.09 C ATOM 4 O ALA A 1 23.217 -15.373 -1.131 1.00 2.15 O ATOM 5 CB ALA A 1 25.055 -13.777 -3.651 1.00 2.57 C ATOM 6 HA ALA A 1 25.866 -13.973 -1.679 1.00 0.00 H ATOM 7 HB1 ALA A 1 26.034 -13.826 -4.127 1.00 0.00 H ATOM 8 HB2 ALA A 1 24.319 -14.277 -4.280 1.00 0.00 H ATOM 9 HB3 ALA A 1 24.769 -12.734 -3.513 1.00 0.00 H ATOM 10 HN3 ALA A 1 24.787 -16.378 -3.041 1.00 0.00 H ATOM 11 HN2 ALA A 1 25.574 -16.345 -1.535 1.00 0.00 H ATOM 12 HN1 ALA A 1 26.426 -15.940 -2.948 1.00 0.00 H ATOM 13 N ASP A 2 23.226 -13.161 -1.535 1.00 1.93 N ATOM 14 CA ASP A 2 21.936 -12.927 -0.893 1.00 1.85 C ATOM 15 C ASP A 2 20.808 -13.075 -1.905 1.00 1.77 C ATOM 16 O ASP A 2 19.932 -12.216 -2.005 1.00 2.06 O ATOM 17 CB ASP A 2 21.881 -11.526 -0.280 1.00 2.06 C ATOM 18 CG ASP A 2 23.064 -11.201 0.609 1.00 2.70 C ATOM 19 OD1 ASP A 2 23.287 -11.917 1.611 1.00 3.47 O ATOM 20 OD2 ASP A 2 23.780 -10.222 0.305 1.00 2.98 O ATOM 21 HA ASP A 2 21.816 -13.667 -0.102 1.00 0.00 H ATOM 22 HB2 ASP A 2 21.849 -10.797 -1.090 1.00 0.00 H ATOM 23 HB3 ASP A 2 20.971 -11.446 0.315 1.00 0.00 H ATOM 24 H ASP A 2 23.734 -12.358 -1.958 1.00 0.00 H ATOM 25 N GLN A 3 20.819 -14.181 -2.637 1.00 1.60 N ATOM 26 CA GLN A 3 19.808 -14.432 -3.653 1.00 1.62 C ATOM 27 C GLN A 3 18.436 -14.601 -3.011 1.00 1.52 C ATOM 28 O GLN A 3 17.475 -13.933 -3.397 1.00 1.55 O ATOM 29 CB GLN A 3 20.161 -15.668 -4.483 1.00 1.75 C ATOM 30 CG GLN A 3 21.555 -15.616 -5.081 1.00 2.06 C ATOM 31 CD GLN A 3 22.404 -16.806 -4.676 1.00 2.43 C ATOM 32 OE1 GLN A 3 23.151 -16.749 -3.700 1.00 2.68 O ATOM 33 NE2 GLN A 3 22.290 -17.894 -5.417 1.00 2.95 N ATOM 34 HA GLN A 3 19.779 -13.570 -4.320 1.00 0.00 H ATOM 35 HB2 GLN A 3 20.093 -16.546 -3.841 1.00 0.00 H ATOM 36 HB3 GLN A 3 19.440 -15.756 -5.295 1.00 0.00 H ATOM 37 HG2 GLN A 3 21.470 -15.600 -6.168 1.00 0.00 H ATOM 38 HG3 GLN A 3 22.047 -14.704 -4.743 1.00 0.00 H ATOM 39 HE22 GLN A 3 21.647 -17.901 -6.234 1.00 0.00 H ATOM 40 HE21 GLN A 3 22.843 -18.743 -5.183 1.00 0.00 H ATOM 41 H GLN A 3 21.568 -14.886 -2.481 1.00 0.00 H ATOM 42 N LEU A 4 18.347 -15.481 -2.020 1.00 1.47 N ATOM 43 CA LEU A 4 17.089 -15.714 -1.328 1.00 1.42 C ATOM 44 C LEU A 4 16.967 -14.769 -0.141 1.00 1.35 C ATOM 45 O LEU A 4 17.204 -15.156 1.007 1.00 1.37 O ATOM 46 CB LEU A 4 16.985 -17.168 -0.858 1.00 1.54 C ATOM 47 CG LEU A 4 17.049 -18.230 -1.964 1.00 1.78 C ATOM 48 CD1 LEU A 4 17.038 -19.625 -1.355 1.00 1.97 C ATOM 49 CD2 LEU A 4 15.885 -18.069 -2.934 1.00 1.88 C ATOM 50 HA LEU A 4 16.272 -15.522 -2.024 1.00 0.00 H ATOM 51 HB2 LEU A 4 17.805 -17.356 -0.165 1.00 0.00 H ATOM 52 HB3 LEU A 4 16.035 -17.285 -0.336 1.00 0.00 H ATOM 53 HG LEU A 4 17.978 -18.094 -2.517 1.00 0.00 H ATOM 54 HD21 LEU A 4 14.945 -18.179 -2.393 1.00 0.00 H ATOM 55 HD22 LEU A 4 15.929 -17.081 -3.391 1.00 0.00 H ATOM 56 HD23 LEU A 4 15.951 -18.833 -3.709 1.00 0.00 H ATOM 57 HD11 LEU A 4 17.901 -19.740 -0.699 1.00 0.00 H ATOM 58 HD12 LEU A 4 16.122 -19.762 -0.781 1.00 0.00 H ATOM 59 HD13 LEU A 4 17.084 -20.368 -2.151 1.00 0.00 H ATOM 60 H LEU A 4 19.193 -16.014 -1.733 1.00 0.00 H ATOM 61 N THR A 5 16.627 -13.522 -0.429 1.00 1.33 N ATOM 62 CA THR A 5 16.478 -12.516 0.606 1.00 1.31 C ATOM 63 C THR A 5 15.132 -12.640 1.296 1.00 1.19 C ATOM 64 O THR A 5 15.025 -13.296 2.332 1.00 1.18 O ATOM 65 CB THR A 5 16.627 -11.104 0.034 1.00 1.42 C ATOM 66 OG1 THR A 5 16.166 -11.093 -1.322 1.00 1.68 O ATOM 67 CG2 THR A 5 18.075 -10.643 0.104 1.00 1.63 C ATOM 68 HA THR A 5 17.270 -12.686 1.335 1.00 0.00 H ATOM 69 HB THR A 5 16.027 -10.415 0.628 1.00 0.00 H ATOM 70 HG1 THR A 5 16.261 -10.181 -1.694 1.00 0.00 H ATOM 71 HG23 THR A 5 18.410 -10.657 1.141 1.00 0.00 H ATOM 72 HG21 THR A 5 18.697 -11.313 -0.489 1.00 0.00 H ATOM 73 HG22 THR A 5 18.152 -9.630 -0.290 1.00 0.00 H ATOM 74 H THR A 5 16.463 -13.257 -1.421 1.00 0.00 H ATOM 75 N GLU A 6 14.109 -12.020 0.709 1.00 1.16 N ATOM 76 CA GLU A 6 12.765 -12.047 1.277 1.00 1.10 C ATOM 77 C GLU A 6 12.800 -11.556 2.724 1.00 1.10 C ATOM 78 O GLU A 6 12.360 -12.238 3.648 1.00 1.15 O ATOM 79 CB GLU A 6 12.181 -13.459 1.182 1.00 1.08 C ATOM 80 CG GLU A 6 11.701 -13.812 -0.218 1.00 1.08 C ATOM 81 CD GLU A 6 10.337 -13.239 -0.519 1.00 1.03 C ATOM 82 OE1 GLU A 6 9.331 -13.903 -0.198 1.00 1.44 O ATOM 83 OE2 GLU A 6 10.260 -12.124 -1.073 1.00 1.31 O ATOM 84 HA GLU A 6 12.119 -11.378 0.708 1.00 0.00 H ATOM 85 HB2 GLU A 6 12.950 -14.173 1.476 1.00 0.00 H ATOM 86 HB3 GLU A 6 11.337 -13.533 1.868 1.00 0.00 H ATOM 87 HG2 GLU A 6 12.414 -13.419 -0.943 1.00 0.00 H ATOM 88 HG3 GLU A 6 11.653 -14.897 -0.309 1.00 0.00 H ATOM 89 H GLU A 6 14.273 -11.503 -0.178 1.00 0.00 H ATOM 90 N GLU A 7 13.318 -10.352 2.898 1.00 1.09 N ATOM 91 CA GLU A 7 13.451 -9.746 4.212 1.00 1.13 C ATOM 92 C GLU A 7 12.584 -8.488 4.302 1.00 1.08 C ATOM 93 O GLU A 7 11.776 -8.326 5.221 1.00 1.13 O ATOM 94 CB GLU A 7 14.916 -9.394 4.485 1.00 1.25 C ATOM 95 CG GLU A 7 15.816 -9.423 3.245 1.00 1.28 C ATOM 96 CD GLU A 7 15.556 -8.287 2.275 1.00 1.24 C ATOM 97 OE1 GLU A 7 14.544 -8.347 1.542 1.00 1.16 O ATOM 98 OE2 GLU A 7 16.365 -7.338 2.233 1.00 1.35 O ATOM 99 HA GLU A 7 13.115 -10.461 4.963 1.00 0.00 H ATOM 100 HB2 GLU A 7 14.952 -8.391 4.910 1.00 0.00 H ATOM 101 HB3 GLU A 7 15.309 -10.108 5.209 1.00 0.00 H ATOM 102 HG2 GLU A 7 16.854 -9.366 3.572 1.00 0.00 H ATOM 103 HG3 GLU A 7 15.652 -10.366 2.723 1.00 0.00 H ATOM 104 H GLU A 7 13.642 -9.820 2.065 1.00 0.00 H ATOM 105 N GLN A 8 12.768 -7.604 3.332 1.00 1.08 N ATOM 106 CA GLN A 8 12.026 -6.365 3.257 1.00 1.06 C ATOM 107 C GLN A 8 10.869 -6.530 2.298 1.00 0.96 C ATOM 108 O GLN A 8 9.787 -5.982 2.503 1.00 0.95 O ATOM 109 CB GLN A 8 12.947 -5.235 2.776 1.00 1.17 C ATOM 110 CG GLN A 8 14.158 -5.006 3.666 1.00 1.31 C ATOM 111 CD GLN A 8 15.174 -4.083 3.027 1.00 1.48 C ATOM 112 OE1 GLN A 8 15.102 -2.867 3.173 1.00 1.56 O ATOM 113 NE2 GLN A 8 16.137 -4.654 2.316 1.00 1.61 N ATOM 114 HA GLN A 8 11.642 -6.111 4.245 1.00 0.00 H ATOM 115 HB2 GLN A 8 13.299 -5.482 1.774 1.00 0.00 H ATOM 116 HB3 GLN A 8 12.368 -4.312 2.740 1.00 0.00 H ATOM 117 HG2 GLN A 8 13.825 -4.565 4.605 1.00 0.00 H ATOM 118 HG3 GLN A 8 14.633 -5.966 3.866 1.00 0.00 H ATOM 119 HE22 GLN A 8 16.165 -5.689 2.215 1.00 0.00 H ATOM 120 HE21 GLN A 8 16.864 -4.067 1.860 1.00 0.00 H ATOM 121 H GLN A 8 13.474 -7.809 2.596 1.00 0.00 H ATOM 122 N ILE A 9 11.112 -7.323 1.253 1.00 0.93 N ATOM 123 CA ILE A 9 10.113 -7.602 0.226 1.00 0.90 C ATOM 124 C ILE A 9 8.845 -8.203 0.821 1.00 0.82 C ATOM 125 O ILE A 9 7.751 -8.044 0.275 1.00 0.80 O ATOM 126 CB ILE A 9 10.665 -8.553 -0.868 1.00 0.96 C ATOM 127 CG1 ILE A 9 12.156 -8.300 -1.111 1.00 1.15 C ATOM 128 CG2 ILE A 9 9.877 -8.380 -2.160 1.00 1.14 C ATOM 129 CD1 ILE A 9 12.815 -9.347 -1.982 1.00 1.23 C ATOM 130 HA ILE A 9 9.868 -6.643 -0.231 1.00 0.00 H ATOM 131 HB ILE A 9 10.550 -9.580 -0.521 1.00 0.00 H ATOM 132 HG12 ILE A 9 12.267 -7.330 -1.595 1.00 0.00 H ATOM 133 HG13 ILE A 9 12.664 -8.284 -0.147 1.00 0.00 H ATOM 134 HD11 ILE A 9 12.724 -10.323 -1.506 1.00 0.00 H ATOM 135 HD12 ILE A 9 12.325 -9.368 -2.956 1.00 0.00 H ATOM 136 HD13 ILE A 9 13.869 -9.101 -2.109 1.00 0.00 H ATOM 137 HG21 ILE A 9 8.828 -8.614 -1.978 1.00 0.00 H ATOM 138 HG22 ILE A 9 9.966 -7.349 -2.503 1.00 0.00 H ATOM 139 HG23 ILE A 9 10.275 -9.053 -2.919 1.00 0.00 H ATOM 140 H ILE A 9 12.052 -7.760 1.167 1.00 0.00 H ATOM 141 N ALA A 10 8.991 -8.879 1.956 1.00 0.85 N ATOM 142 CA ALA A 10 7.857 -9.496 2.636 1.00 0.85 C ATOM 143 C ALA A 10 6.876 -8.436 3.130 1.00 0.75 C ATOM 144 O ALA A 10 5.681 -8.690 3.268 1.00 0.79 O ATOM 145 CB ALA A 10 8.343 -10.357 3.794 1.00 0.98 C ATOM 146 HA ALA A 10 7.334 -10.133 1.923 1.00 0.00 H ATOM 147 HB1 ALA A 10 9.000 -11.139 3.413 1.00 0.00 H ATOM 148 HB2 ALA A 10 8.890 -9.735 4.503 1.00 0.00 H ATOM 149 HB3 ALA A 10 7.486 -10.811 4.292 1.00 0.00 H ATOM 150 H ALA A 10 9.940 -8.971 2.371 1.00 0.00 H ATOM 151 N GLU A 11 7.387 -7.238 3.366 1.00 0.69 N ATOM 152 CA GLU A 11 6.569 -6.141 3.851 1.00 0.64 C ATOM 153 C GLU A 11 5.878 -5.412 2.709 1.00 0.63 C ATOM 154 O GLU A 11 4.870 -4.730 2.921 1.00 0.64 O ATOM 155 CB GLU A 11 7.418 -5.167 4.658 1.00 0.69 C ATOM 156 CG GLU A 11 7.505 -5.543 6.126 1.00 0.59 C ATOM 157 CD GLU A 11 6.141 -5.580 6.787 1.00 0.65 C ATOM 158 OE1 GLU A 11 5.490 -6.643 6.753 1.00 0.81 O ATOM 159 OE2 GLU A 11 5.705 -4.537 7.327 1.00 1.18 O ATOM 160 HA GLU A 11 5.797 -6.562 4.495 1.00 0.00 H ATOM 161 HB2 GLU A 11 8.425 -5.153 4.241 1.00 0.00 H ATOM 162 HB3 GLU A 11 6.979 -4.172 4.578 1.00 0.00 H ATOM 163 HG2 GLU A 11 7.964 -6.528 6.210 1.00 0.00 H ATOM 164 HG3 GLU A 11 8.126 -4.810 6.641 1.00 0.00 H ATOM 165 H GLU A 11 8.401 -7.078 3.200 1.00 0.00 H ATOM 166 N PHE A 12 6.418 -5.551 1.500 1.00 0.64 N ATOM 167 CA PHE A 12 5.832 -4.913 0.327 1.00 0.67 C ATOM 168 C PHE A 12 4.573 -5.668 -0.073 1.00 0.66 C ATOM 169 O PHE A 12 3.550 -5.074 -0.399 1.00 0.68 O ATOM 170 CB PHE A 12 6.830 -4.889 -0.836 1.00 0.75 C ATOM 171 CG PHE A 12 8.034 -4.027 -0.588 1.00 0.76 C ATOM 172 CD1 PHE A 12 7.920 -2.831 0.104 1.00 0.98 C ATOM 173 CD2 PHE A 12 9.282 -4.414 -1.047 1.00 1.23 C ATOM 174 CE1 PHE A 12 9.027 -2.041 0.330 1.00 1.03 C ATOM 175 CE2 PHE A 12 10.389 -3.625 -0.823 1.00 1.27 C ATOM 176 CZ PHE A 12 10.261 -2.439 -0.134 1.00 0.88 C ATOM 177 HA PHE A 12 5.579 -3.881 0.571 1.00 0.00 H ATOM 178 HB2 PHE A 12 7.169 -5.909 -1.018 1.00 0.00 H ATOM 179 HB3 PHE A 12 6.316 -4.515 -1.722 1.00 0.00 H ATOM 180 HD2 PHE A 12 9.390 -5.352 -1.591 1.00 0.00 H ATOM 181 HE2 PHE A 12 11.366 -3.939 -1.191 1.00 0.00 H ATOM 182 HZ PHE A 12 11.137 -1.815 0.044 1.00 0.00 H ATOM 183 HE1 PHE A 12 8.926 -1.103 0.875 1.00 0.00 H ATOM 184 HD1 PHE A 12 6.945 -2.512 0.473 1.00 0.00 H ATOM 185 H PHE A 12 7.277 -6.127 1.390 1.00 0.00 H ATOM 186 N LYS A 13 4.654 -6.991 -0.001 1.00 0.65 N ATOM 187 CA LYS A 13 3.531 -7.852 -0.333 1.00 0.66 C ATOM 188 C LYS A 13 2.423 -7.699 0.701 1.00 0.61 C ATOM 189 O LYS A 13 1.251 -7.965 0.425 1.00 0.66 O ATOM 190 CB LYS A 13 3.990 -9.310 -0.423 1.00 0.71 C ATOM 191 CG LYS A 13 4.865 -9.581 -1.637 1.00 0.80 C ATOM 192 CD LYS A 13 5.358 -11.020 -1.659 1.00 0.86 C ATOM 193 CE LYS A 13 6.569 -11.218 -0.754 1.00 0.97 C ATOM 194 NZ LYS A 13 7.250 -12.508 -1.030 1.00 0.99 N ATOM 195 HA LYS A 13 3.136 -7.555 -1.305 1.00 0.00 H ATOM 196 HB2 LYS A 13 4.557 -9.553 0.476 1.00 0.00 H ATOM 197 HB3 LYS A 13 3.109 -9.949 -0.479 1.00 0.00 H ATOM 198 HG2 LYS A 13 4.286 -9.391 -2.541 1.00 0.00 H ATOM 199 HG3 LYS A 13 5.725 -8.912 -1.610 1.00 0.00 H ATOM 200 HD2 LYS A 13 4.554 -11.674 -1.321 1.00 0.00 H ATOM 201 HD3 LYS A 13 5.634 -11.283 -2.680 1.00 0.00 H ATOM 202 HE2 LYS A 13 6.241 -11.206 0.285 1.00 0.00 H ATOM 203 HE3 LYS A 13 7.273 -10.403 -0.921 1.00 0.00 H ATOM 204 HZ1 LYS A 13 6.585 -13.291 -0.867 1.00 0.00 H ATOM 205 HZ2 LYS A 13 7.571 -12.524 -2.019 1.00 0.00 H ATOM 206 HZ3 LYS A 13 8.069 -12.609 -0.396 1.00 0.00 H ATOM 207 H LYS A 13 5.549 -7.425 0.302 1.00 0.00 H ATOM 208 N GLU A 14 2.802 -7.237 1.884 1.00 0.57 N ATOM 209 CA GLU A 14 1.849 -7.037 2.960 1.00 0.54 C ATOM 210 C GLU A 14 0.921 -5.874 2.640 1.00 0.50 C ATOM 211 O GLU A 14 -0.219 -5.830 3.099 1.00 0.49 O ATOM 212 CB GLU A 14 2.564 -6.767 4.278 1.00 0.52 C ATOM 213 CG GLU A 14 1.779 -7.243 5.479 1.00 0.54 C ATOM 214 CD GLU A 14 1.500 -8.724 5.430 1.00 0.62 C ATOM 215 OE1 GLU A 14 2.452 -9.508 5.625 1.00 1.29 O ATOM 216 OE2 GLU A 14 0.337 -9.116 5.196 1.00 1.28 O ATOM 217 HA GLU A 14 1.262 -7.950 3.058 1.00 0.00 H ATOM 218 HB2 GLU A 14 3.525 -7.280 4.264 1.00 0.00 H ATOM 219 HB3 GLU A 14 2.728 -5.694 4.372 1.00 0.00 H ATOM 220 HG2 GLU A 14 2.350 -7.023 6.381 1.00 0.00 H ATOM 221 HG3 GLU A 14 0.830 -6.708 5.512 1.00 0.00 H ATOM 222 H GLU A 14 3.805 -7.013 2.045 1.00 0.00 H ATOM 223 N ALA A 15 1.407 -4.937 1.838 1.00 0.51 N ATOM 224 CA ALA A 15 0.609 -3.784 1.461 1.00 0.52 C ATOM 225 C ALA A 15 -0.633 -4.244 0.707 1.00 0.50 C ATOM 226 O ALA A 15 -1.745 -3.857 1.037 1.00 0.51 O ATOM 227 CB ALA A 15 1.429 -2.823 0.615 1.00 0.58 C ATOM 228 HA ALA A 15 0.297 -3.256 2.362 1.00 0.00 H ATOM 229 HB1 ALA A 15 2.293 -2.485 1.186 1.00 0.00 H ATOM 230 HB2 ALA A 15 1.765 -3.332 -0.288 1.00 0.00 H ATOM 231 HB3 ALA A 15 0.814 -1.965 0.342 1.00 0.00 H ATOM 232 H ALA A 15 2.376 -5.029 1.473 1.00 0.00 H ATOM 233 N PHE A 16 -0.441 -5.126 -0.261 1.00 0.50 N ATOM 234 CA PHE A 16 -1.553 -5.642 -1.066 1.00 0.53 C ATOM 235 C PHE A 16 -2.408 -6.637 -0.275 1.00 0.56 C ATOM 236 O PHE A 16 -3.357 -7.221 -0.803 1.00 0.74 O ATOM 237 CB PHE A 16 -1.019 -6.313 -2.328 1.00 0.60 C ATOM 238 CG PHE A 16 0.042 -5.504 -3.034 1.00 0.64 C ATOM 239 CD1 PHE A 16 -0.297 -4.432 -3.846 1.00 0.78 C ATOM 240 CD2 PHE A 16 1.380 -5.820 -2.885 1.00 0.87 C ATOM 241 CE1 PHE A 16 0.681 -3.697 -4.498 1.00 0.90 C ATOM 242 CE2 PHE A 16 2.359 -5.092 -3.534 1.00 0.98 C ATOM 243 CZ PHE A 16 2.010 -4.031 -4.342 1.00 0.91 C ATOM 244 HA PHE A 16 -2.184 -4.796 -1.339 1.00 0.00 H ATOM 245 HB2 PHE A 16 -0.592 -7.278 -2.053 1.00 0.00 H ATOM 246 HB3 PHE A 16 -1.850 -6.468 -3.016 1.00 0.00 H ATOM 247 HD2 PHE A 16 1.667 -6.655 -2.246 1.00 0.00 H ATOM 248 HE2 PHE A 16 3.409 -5.357 -3.407 1.00 0.00 H ATOM 249 HZ PHE A 16 2.782 -3.458 -4.856 1.00 0.00 H ATOM 250 HE1 PHE A 16 0.400 -2.857 -5.133 1.00 0.00 H ATOM 251 HD1 PHE A 16 -1.346 -4.164 -3.973 1.00 0.00 H ATOM 252 H PHE A 16 0.524 -5.462 -0.456 1.00 0.00 H ATOM 253 N SER A 17 -2.072 -6.820 0.992 1.00 0.49 N ATOM 254 CA SER A 17 -2.800 -7.748 1.846 1.00 0.54 C ATOM 255 C SER A 17 -3.566 -7.022 2.955 1.00 0.51 C ATOM 256 O SER A 17 -4.661 -7.437 3.340 1.00 0.59 O ATOM 257 CB SER A 17 -1.832 -8.763 2.463 1.00 0.62 C ATOM 258 OG SER A 17 -0.996 -9.349 1.471 1.00 0.73 O ATOM 259 HA SER A 17 -3.528 -8.266 1.222 1.00 0.00 H ATOM 260 HB2 SER A 17 -2.406 -9.549 2.953 1.00 0.00 H ATOM 261 HB3 SER A 17 -1.208 -8.257 3.200 1.00 0.00 H ATOM 262 HG SER A 17 -0.468 -8.640 1.025 1.00 0.00 H ATOM 263 H SER A 17 -1.270 -6.289 1.387 1.00 0.00 H ATOM 264 N LEU A 18 -2.990 -5.938 3.460 1.00 0.44 N ATOM 265 CA LEU A 18 -3.609 -5.174 4.541 1.00 0.42 C ATOM 266 C LEU A 18 -4.218 -3.865 4.045 1.00 0.41 C ATOM 267 O LEU A 18 -5.159 -3.349 4.640 1.00 0.46 O ATOM 268 CB LEU A 18 -2.577 -4.872 5.630 1.00 0.42 C ATOM 269 CG LEU A 18 -1.968 -6.104 6.307 1.00 0.45 C ATOM 270 CD1 LEU A 18 -0.801 -5.707 7.204 1.00 0.47 C ATOM 271 CD2 LEU A 18 -3.034 -6.844 7.108 1.00 0.55 C ATOM 272 HA LEU A 18 -4.414 -5.787 4.948 1.00 0.00 H ATOM 273 HB2 LEU A 18 -1.767 -4.299 5.179 1.00 0.00 H ATOM 274 HB3 LEU A 18 -3.062 -4.270 6.398 1.00 0.00 H ATOM 275 HG LEU A 18 -1.587 -6.771 5.534 1.00 0.00 H ATOM 276 HD21 LEU A 18 -3.439 -6.180 7.871 1.00 0.00 H ATOM 277 HD22 LEU A 18 -3.834 -7.162 6.439 1.00 0.00 H ATOM 278 HD23 LEU A 18 -2.588 -7.717 7.584 1.00 0.00 H ATOM 279 HD11 LEU A 18 -0.033 -5.219 6.604 1.00 0.00 H ATOM 280 HD12 LEU A 18 -1.153 -5.020 7.974 1.00 0.00 H ATOM 281 HD13 LEU A 18 -0.385 -6.599 7.673 1.00 0.00 H ATOM 282 H LEU A 18 -2.075 -5.625 3.077 1.00 0.00 H ATOM 283 N PHE A 19 -3.689 -3.333 2.954 1.00 0.43 N ATOM 284 CA PHE A 19 -4.184 -2.074 2.417 1.00 0.47 C ATOM 285 C PHE A 19 -5.422 -2.290 1.544 1.00 0.48 C ATOM 286 O PHE A 19 -6.441 -1.623 1.729 1.00 0.61 O ATOM 287 CB PHE A 19 -3.082 -1.378 1.618 1.00 0.52 C ATOM 288 CG PHE A 19 -3.176 0.116 1.607 1.00 0.39 C ATOM 289 CD1 PHE A 19 -3.072 0.836 2.785 1.00 0.58 C ATOM 290 CD2 PHE A 19 -3.359 0.805 0.419 1.00 0.50 C ATOM 291 CE1 PHE A 19 -3.152 2.208 2.775 1.00 0.75 C ATOM 292 CE2 PHE A 19 -3.438 2.182 0.410 1.00 0.70 C ATOM 293 CZ PHE A 19 -3.334 2.882 1.588 1.00 0.79 C ATOM 294 HA PHE A 19 -4.475 -1.438 3.253 1.00 0.00 H ATOM 295 HB2 PHE A 19 -2.120 -1.656 2.049 1.00 0.00 H ATOM 296 HB3 PHE A 19 -3.133 -1.731 0.588 1.00 0.00 H ATOM 297 HD2 PHE A 19 -3.441 0.254 -0.518 1.00 0.00 H ATOM 298 HE2 PHE A 19 -3.583 2.714 -0.530 1.00 0.00 H ATOM 299 HZ PHE A 19 -3.396 3.970 1.583 1.00 0.00 H ATOM 300 HE1 PHE A 19 -3.071 2.764 3.709 1.00 0.00 H ATOM 301 HD1 PHE A 19 -2.925 0.310 3.728 1.00 0.00 H ATOM 302 H PHE A 19 -2.907 -3.822 2.473 1.00 0.00 H ATOM 303 N ASP A 20 -5.344 -3.240 0.617 1.00 0.44 N ATOM 304 CA ASP A 20 -6.463 -3.522 -0.283 1.00 0.45 C ATOM 305 C ASP A 20 -7.363 -4.617 0.283 1.00 0.51 C ATOM 306 O ASP A 20 -6.887 -5.584 0.874 1.00 0.58 O ATOM 307 CB ASP A 20 -5.960 -3.929 -1.671 1.00 0.45 C ATOM 308 CG ASP A 20 -7.110 -4.238 -2.605 1.00 0.46 C ATOM 309 OD1 ASP A 20 -7.957 -3.342 -2.820 1.00 0.58 O ATOM 310 OD2 ASP A 20 -7.187 -5.369 -3.121 1.00 0.59 O ATOM 311 HA ASP A 20 -7.046 -2.606 -0.375 1.00 0.00 H ATOM 312 HB2 ASP A 20 -5.372 -3.112 -2.089 1.00 0.00 H ATOM 313 HB3 ASP A 20 -5.332 -4.815 -1.576 1.00 0.00 H ATOM 314 H ASP A 20 -4.469 -3.795 0.530 1.00 0.00 H ATOM 315 N LYS A 21 -8.670 -4.438 0.122 1.00 0.58 N ATOM 316 CA LYS A 21 -9.646 -5.409 0.600 1.00 0.71 C ATOM 317 C LYS A 21 -10.565 -5.842 -0.532 1.00 0.68 C ATOM 318 O LYS A 21 -11.500 -6.613 -0.320 1.00 0.86 O ATOM 319 CB LYS A 21 -10.487 -4.829 1.749 1.00 0.82 C ATOM 320 CG LYS A 21 -9.716 -4.629 3.044 1.00 1.05 C ATOM 321 CD LYS A 21 -9.088 -3.244 3.109 1.00 1.10 C ATOM 322 CE LYS A 21 -8.337 -3.039 4.408 1.00 1.41 C ATOM 323 NZ LYS A 21 -7.495 -1.822 4.371 1.00 1.57 N ATOM 324 HA LYS A 21 -9.097 -6.275 0.971 1.00 0.00 H ATOM 325 HB2 LYS A 21 -10.880 -3.863 1.432 1.00 0.00 H ATOM 326 HB3 LYS A 21 -11.315 -5.510 1.945 1.00 0.00 H ATOM 327 HG2 LYS A 21 -10.398 -4.749 3.885 1.00 0.00 H ATOM 328 HG3 LYS A 21 -8.928 -5.379 3.107 1.00 0.00 H ATOM 329 HD2 LYS A 21 -8.394 -3.129 2.276 1.00 0.00 H ATOM 330 HD3 LYS A 21 -9.875 -2.493 3.031 1.00 0.00 H ATOM 331 HE2 LYS A 21 -7.699 -3.904 4.587 1.00 0.00 H ATOM 332 HE3 LYS A 21 -9.057 -2.946 5.221 1.00 0.00 H ATOM 333 HZ1 LYS A 21 -6.800 -1.906 3.602 1.00 0.00 H ATOM 334 HZ2 LYS A 21 -8.097 -0.990 4.207 1.00 0.00 H ATOM 335 HZ3 LYS A 21 -6.998 -1.718 5.279 1.00 0.00 H ATOM 336 H LYS A 21 -9.006 -3.580 -0.359 1.00 0.00 H ATOM 337 N ASP A 22 -10.309 -5.353 -1.741 1.00 0.58 N ATOM 338 CA ASP A 22 -11.139 -5.709 -2.881 1.00 0.61 C ATOM 339 C ASP A 22 -10.582 -6.950 -3.562 1.00 0.69 C ATOM 340 O ASP A 22 -11.316 -7.723 -4.175 1.00 0.82 O ATOM 341 CB ASP A 22 -11.204 -4.568 -3.903 1.00 0.55 C ATOM 342 CG ASP A 22 -11.300 -3.193 -3.275 1.00 0.52 C ATOM 343 OD1 ASP A 22 -12.322 -2.897 -2.624 1.00 0.60 O ATOM 344 OD2 ASP A 22 -10.340 -2.402 -3.434 1.00 0.55 O ATOM 345 HA ASP A 22 -12.145 -5.904 -2.509 1.00 0.00 H ATOM 346 HB2 ASP A 22 -10.304 -4.604 -4.517 1.00 0.00 H ATOM 347 HB3 ASP A 22 -12.080 -4.720 -4.534 1.00 0.00 H ATOM 348 H ASP A 22 -9.505 -4.707 -1.874 1.00 0.00 H ATOM 349 N GLY A 23 -9.278 -7.130 -3.456 1.00 0.65 N ATOM 350 CA GLY A 23 -8.636 -8.266 -4.075 1.00 0.73 C ATOM 351 C GLY A 23 -8.049 -7.896 -5.410 1.00 0.71 C ATOM 352 O GLY A 23 -7.920 -8.734 -6.302 1.00 0.87 O ATOM 353 HA3 GLY A 23 -9.372 -9.058 -4.216 1.00 0.00 H ATOM 354 HA2 GLY A 23 -7.840 -8.624 -3.423 1.00 0.00 H ATOM 355 H GLY A 23 -8.707 -6.446 -2.920 1.00 0.00 H ATOM 356 N ASP A 24 -7.695 -6.629 -5.540 1.00 0.59 N ATOM 357 CA ASP A 24 -7.134 -6.114 -6.776 1.00 0.60 C ATOM 358 C ASP A 24 -5.617 -5.997 -6.684 1.00 0.59 C ATOM 359 O ASP A 24 -4.912 -6.153 -7.685 1.00 0.74 O ATOM 360 CB ASP A 24 -7.755 -4.754 -7.128 1.00 0.58 C ATOM 361 CG ASP A 24 -7.673 -3.724 -6.009 1.00 0.48 C ATOM 362 OD1 ASP A 24 -6.564 -3.285 -5.670 1.00 0.74 O ATOM 363 OD2 ASP A 24 -8.730 -3.323 -5.465 1.00 0.61 O ATOM 364 HA ASP A 24 -7.372 -6.821 -7.571 1.00 0.00 H ATOM 365 HB2 ASP A 24 -7.235 -4.355 -7.999 1.00 0.00 H ATOM 366 HB3 ASP A 24 -8.805 -4.910 -7.373 1.00 0.00 H ATOM 367 H ASP A 24 -7.822 -5.983 -4.735 1.00 0.00 H ATOM 368 N GLY A 25 -5.124 -5.727 -5.485 1.00 0.54 N ATOM 369 CA GLY A 25 -3.694 -5.594 -5.281 1.00 0.64 C ATOM 370 C GLY A 25 -3.139 -4.345 -5.935 1.00 0.69 C ATOM 371 O GLY A 25 -2.038 -4.361 -6.479 1.00 1.30 O ATOM 372 HA3 GLY A 25 -3.195 -6.465 -5.706 1.00 0.00 H ATOM 373 HA2 GLY A 25 -3.494 -5.549 -4.210 1.00 0.00 H ATOM 374 H GLY A 25 -5.771 -5.609 -4.679 1.00 0.00 H ATOM 375 N THR A 26 -3.917 -3.274 -5.894 1.00 0.46 N ATOM 376 CA THR A 26 -3.517 -2.004 -6.469 1.00 0.48 C ATOM 377 C THR A 26 -3.936 -0.866 -5.549 1.00 0.46 C ATOM 378 O THR A 26 -4.893 -1.005 -4.787 1.00 0.63 O ATOM 379 CB THR A 26 -4.156 -1.795 -7.852 1.00 0.53 C ATOM 380 OG1 THR A 26 -5.529 -2.222 -7.832 1.00 0.66 O ATOM 381 CG2 THR A 26 -3.396 -2.551 -8.929 1.00 0.66 C ATOM 382 HA THR A 26 -2.433 -2.013 -6.583 1.00 0.00 H ATOM 383 HB THR A 26 -4.111 -0.731 -8.086 1.00 0.00 H ATOM 384 HG1 THR A 26 -5.571 -3.183 -7.596 1.00 0.00 H ATOM 385 HG23 THR A 26 -2.357 -2.222 -8.938 1.00 0.00 H ATOM 386 HG21 THR A 26 -3.438 -3.620 -8.719 1.00 0.00 H ATOM 387 HG22 THR A 26 -3.850 -2.352 -9.900 1.00 0.00 H ATOM 388 H THR A 26 -4.847 -3.346 -5.434 1.00 0.00 H ATOM 389 N ILE A 27 -3.224 0.245 -5.598 1.00 0.37 N ATOM 390 CA ILE A 27 -3.561 1.381 -4.757 1.00 0.36 C ATOM 391 C ILE A 27 -4.299 2.448 -5.554 1.00 0.32 C ATOM 392 O ILE A 27 -3.734 3.071 -6.455 1.00 0.37 O ATOM 393 CB ILE A 27 -2.311 2.005 -4.100 1.00 0.40 C ATOM 394 CG1 ILE A 27 -1.617 0.972 -3.199 1.00 0.46 C ATOM 395 CG2 ILE A 27 -2.696 3.255 -3.302 1.00 0.42 C ATOM 396 CD1 ILE A 27 -0.345 1.482 -2.557 1.00 0.50 C ATOM 397 HA ILE A 27 -4.211 1.004 -3.967 1.00 0.00 H ATOM 398 HB ILE A 27 -1.613 2.304 -4.882 1.00 0.00 H ATOM 399 HG12 ILE A 27 -2.310 0.683 -2.409 1.00 0.00 H ATOM 400 HG13 ILE A 27 -1.372 0.098 -3.802 1.00 0.00 H ATOM 401 HD11 ILE A 27 0.365 1.765 -3.334 1.00 0.00 H ATOM 402 HD12 ILE A 27 -0.574 2.350 -1.939 1.00 0.00 H ATOM 403 HD13 ILE A 27 0.087 0.697 -1.936 1.00 0.00 H ATOM 404 HG21 ILE A 27 -3.149 3.986 -3.971 1.00 0.00 H ATOM 405 HG22 ILE A 27 -3.409 2.982 -2.524 1.00 0.00 H ATOM 406 HG23 ILE A 27 -1.803 3.682 -2.845 1.00 0.00 H ATOM 407 H ILE A 27 -2.413 0.308 -6.246 1.00 0.00 H ATOM 408 N THR A 28 -5.573 2.623 -5.240 1.00 0.28 N ATOM 409 CA THR A 28 -6.387 3.632 -5.888 1.00 0.28 C ATOM 410 C THR A 28 -6.873 4.621 -4.840 1.00 0.27 C ATOM 411 O THR A 28 -6.528 4.504 -3.658 1.00 0.29 O ATOM 412 CB THR A 28 -7.616 3.028 -6.615 1.00 0.32 C ATOM 413 OG1 THR A 28 -8.524 2.453 -5.671 1.00 0.73 O ATOM 414 CG2 THR A 28 -7.199 1.969 -7.623 1.00 0.77 C ATOM 415 HA THR A 28 -5.767 4.122 -6.639 1.00 0.00 H ATOM 416 HB THR A 28 -8.111 3.840 -7.148 1.00 0.00 H ATOM 417 HG1 THR A 28 -8.064 1.736 -5.167 1.00 0.00 H ATOM 418 HG23 THR A 28 -6.507 2.407 -8.343 1.00 0.00 H ATOM 419 HG21 THR A 28 -6.711 1.146 -7.102 1.00 0.00 H ATOM 420 HG22 THR A 28 -8.081 1.598 -8.145 1.00 0.00 H ATOM 421 H THR A 28 -6.001 2.020 -4.509 1.00 0.00 H ATOM 422 N THR A 29 -7.650 5.595 -5.272 1.00 0.29 N ATOM 423 CA THR A 29 -8.215 6.593 -4.375 1.00 0.33 C ATOM 424 C THR A 29 -9.008 5.947 -3.235 1.00 0.31 C ATOM 425 O THR A 29 -9.056 6.476 -2.123 1.00 0.32 O ATOM 426 CB THR A 29 -9.132 7.540 -5.166 1.00 0.40 C ATOM 427 OG1 THR A 29 -8.991 7.263 -6.567 1.00 0.48 O ATOM 428 CG2 THR A 29 -8.784 8.999 -4.895 1.00 0.59 C ATOM 429 HA THR A 29 -7.389 7.152 -3.936 1.00 0.00 H ATOM 430 HB THR A 29 -10.162 7.375 -4.849 1.00 0.00 H ATOM 431 HG1 THR A 29 -9.579 7.870 -7.083 1.00 0.00 H ATOM 432 HG23 THR A 29 -8.892 9.205 -3.830 1.00 0.00 H ATOM 433 HG21 THR A 29 -7.755 9.188 -5.200 1.00 0.00 H ATOM 434 HG22 THR A 29 -9.457 9.643 -5.461 1.00 0.00 H ATOM 435 H THR A 29 -7.866 5.652 -6.288 1.00 0.00 H ATOM 436 N LYS A 30 -9.596 4.783 -3.519 1.00 0.31 N ATOM 437 CA LYS A 30 -10.401 4.059 -2.541 1.00 0.33 C ATOM 438 C LYS A 30 -9.577 3.583 -1.353 1.00 0.33 C ATOM 439 O LYS A 30 -9.973 3.779 -0.202 1.00 0.38 O ATOM 440 CB LYS A 30 -11.095 2.863 -3.201 1.00 0.36 C ATOM 441 CG LYS A 30 -11.967 2.075 -2.237 1.00 0.38 C ATOM 442 CD LYS A 30 -12.636 0.889 -2.915 1.00 0.43 C ATOM 443 CE LYS A 30 -13.532 0.143 -1.944 1.00 0.51 C ATOM 444 NZ LYS A 30 -14.182 -1.033 -2.577 1.00 0.56 N ATOM 445 HA LYS A 30 -11.149 4.757 -2.166 1.00 0.00 H ATOM 446 HB2 LYS A 30 -11.720 3.230 -4.015 1.00 0.00 H ATOM 447 HB3 LYS A 30 -10.332 2.197 -3.603 1.00 0.00 H ATOM 448 HG2 LYS A 30 -11.346 1.709 -1.419 1.00 0.00 H ATOM 449 HG3 LYS A 30 -12.738 2.735 -1.840 1.00 0.00 H ATOM 450 HD2 LYS A 30 -13.236 1.248 -3.751 1.00 0.00 H ATOM 451 HD3 LYS A 30 -11.868 0.210 -3.286 1.00 0.00 H ATOM 452 HE2 LYS A 30 -14.305 0.822 -1.586 1.00 0.00 H ATOM 453 HE3 LYS A 30 -12.931 -0.198 -1.101 1.00 0.00 H ATOM 454 HZ1 LYS A 30 -14.764 -0.716 -3.379 1.00 0.00 H ATOM 455 HZ2 LYS A 30 -13.451 -1.691 -2.916 1.00 0.00 H ATOM 456 HZ3 LYS A 30 -14.784 -1.513 -1.878 1.00 0.00 H ATOM 457 H LYS A 30 -9.476 4.378 -4.470 1.00 0.00 H ATOM 458 N GLU A 31 -8.412 2.988 -1.605 1.00 0.31 N ATOM 459 CA GLU A 31 -7.583 2.461 -0.527 1.00 0.35 C ATOM 460 C GLU A 31 -6.749 3.568 0.117 1.00 0.34 C ATOM 461 O GLU A 31 -6.396 3.496 1.293 1.00 0.39 O ATOM 462 CB GLU A 31 -6.661 1.348 -1.053 1.00 0.37 C ATOM 463 CG GLU A 31 -7.399 0.145 -1.610 1.00 0.41 C ATOM 464 CD GLU A 31 -7.662 0.256 -3.097 1.00 0.35 C ATOM 465 OE1 GLU A 31 -7.366 1.315 -3.680 1.00 0.86 O ATOM 466 OE2 GLU A 31 -8.168 -0.732 -3.689 1.00 0.87 O ATOM 467 HA GLU A 31 -8.246 2.045 0.231 1.00 0.00 H ATOM 468 HB2 GLU A 31 -6.038 1.765 -1.844 1.00 0.00 H ATOM 469 HB3 GLU A 31 -6.027 1.012 -0.232 1.00 0.00 H ATOM 470 HG2 GLU A 31 -6.800 -0.747 -1.427 1.00 0.00 H ATOM 471 HG3 GLU A 31 -8.354 0.052 -1.093 1.00 0.00 H ATOM 472 H GLU A 31 -8.088 2.898 -2.589 1.00 0.00 H ATOM 473 N LEU A 32 -6.484 4.599 -0.654 1.00 0.31 N ATOM 474 CA LEU A 32 -5.690 5.729 -0.181 1.00 0.33 C ATOM 475 C LEU A 32 -6.482 6.563 0.833 1.00 0.35 C ATOM 476 O LEU A 32 -5.916 7.113 1.775 1.00 0.47 O ATOM 477 CB LEU A 32 -5.257 6.600 -1.365 1.00 0.34 C ATOM 478 CG LEU A 32 -4.298 7.746 -1.046 1.00 0.37 C ATOM 479 CD1 LEU A 32 -3.022 7.228 -0.391 1.00 0.36 C ATOM 480 CD2 LEU A 32 -3.973 8.517 -2.322 1.00 0.43 C ATOM 481 HA LEU A 32 -4.801 5.342 0.317 1.00 0.00 H ATOM 482 HB2 LEU A 32 -4.770 5.952 -2.094 1.00 0.00 H ATOM 483 HB3 LEU A 32 -6.155 7.031 -1.807 1.00 0.00 H ATOM 484 HG LEU A 32 -4.783 8.418 -0.338 1.00 0.00 H ATOM 485 HD21 LEU A 32 -3.506 7.845 -3.042 1.00 0.00 H ATOM 486 HD22 LEU A 32 -4.893 8.922 -2.744 1.00 0.00 H ATOM 487 HD23 LEU A 32 -3.289 9.333 -2.088 1.00 0.00 H ATOM 488 HD11 LEU A 32 -3.274 6.715 0.537 1.00 0.00 H ATOM 489 HD12 LEU A 32 -2.524 6.534 -1.068 1.00 0.00 H ATOM 490 HD13 LEU A 32 -2.359 8.066 -0.176 1.00 0.00 H ATOM 491 H LEU A 32 -6.850 4.610 -1.627 1.00 0.00 H ATOM 492 N GLY A 33 -7.795 6.639 0.640 1.00 0.30 N ATOM 493 CA GLY A 33 -8.631 7.424 1.533 1.00 0.33 C ATOM 494 C GLY A 33 -9.195 6.635 2.699 1.00 0.34 C ATOM 495 O GLY A 33 -9.404 7.187 3.777 1.00 0.36 O ATOM 496 HA3 GLY A 33 -9.463 7.828 0.957 1.00 0.00 H ATOM 497 HA2 GLY A 33 -8.033 8.244 1.930 1.00 0.00 H ATOM 498 H GLY A 33 -8.228 6.132 -0.158 1.00 0.00 H ATOM 499 N THR A 34 -9.407 5.336 2.512 1.00 0.36 N ATOM 500 CA THR A 34 -9.984 4.500 3.564 1.00 0.39 C ATOM 501 C THR A 34 -9.123 4.471 4.825 1.00 0.40 C ATOM 502 O THR A 34 -9.650 4.535 5.936 1.00 0.46 O ATOM 503 CB THR A 34 -10.208 3.062 3.077 1.00 0.43 C ATOM 504 OG1 THR A 34 -9.210 2.719 2.112 1.00 0.42 O ATOM 505 CG2 THR A 34 -11.596 2.912 2.467 1.00 0.47 C ATOM 506 HA THR A 34 -10.943 4.954 3.813 1.00 0.00 H ATOM 507 HB THR A 34 -10.132 2.388 3.930 1.00 0.00 H ATOM 508 HG1 THR A 34 -9.269 3.340 1.343 1.00 0.00 H ATOM 509 HG23 THR A 34 -12.349 3.176 3.210 1.00 0.00 H ATOM 510 HG21 THR A 34 -11.686 3.574 1.606 1.00 0.00 H ATOM 511 HG22 THR A 34 -11.743 1.879 2.150 1.00 0.00 H ATOM 512 H THR A 34 -9.157 4.905 1.599 1.00 0.00 H ATOM 513 N VAL A 35 -7.804 4.396 4.659 1.00 0.40 N ATOM 514 CA VAL A 35 -6.904 4.360 5.803 1.00 0.43 C ATOM 515 C VAL A 35 -6.927 5.702 6.554 1.00 0.40 C ATOM 516 O VAL A 35 -7.074 5.728 7.776 1.00 0.42 O ATOM 517 CB VAL A 35 -5.460 3.978 5.378 1.00 0.51 C ATOM 518 CG1 VAL A 35 -4.907 4.951 4.338 1.00 1.14 C ATOM 519 CG2 VAL A 35 -4.548 3.904 6.594 1.00 1.38 C ATOM 520 HA VAL A 35 -7.257 3.585 6.483 1.00 0.00 H ATOM 521 HB VAL A 35 -5.497 2.992 4.915 1.00 0.00 H ATOM 522 HG11 VAL A 35 -5.543 4.935 3.453 1.00 0.00 H ATOM 523 HG12 VAL A 35 -4.889 5.957 4.757 1.00 0.00 H ATOM 524 HG13 VAL A 35 -3.895 4.652 4.065 1.00 0.00 H ATOM 525 HG21 VAL A 35 -4.527 4.874 7.090 1.00 0.00 H ATOM 526 HG22 VAL A 35 -4.926 3.150 7.284 1.00 0.00 H ATOM 527 HG23 VAL A 35 -3.541 3.635 6.275 1.00 0.00 H ATOM 528 H VAL A 35 -7.410 4.363 3.697 1.00 0.00 H ATOM 529 N MET A 36 -6.803 6.807 5.819 1.00 0.38 N ATOM 530 CA MET A 36 -6.822 8.145 6.424 1.00 0.40 C ATOM 531 C MET A 36 -8.155 8.394 7.125 1.00 0.37 C ATOM 532 O MET A 36 -8.202 9.015 8.192 1.00 0.39 O ATOM 533 CB MET A 36 -6.584 9.226 5.368 1.00 0.46 C ATOM 534 CG MET A 36 -5.337 8.997 4.532 1.00 0.82 C ATOM 535 SD MET A 36 -4.935 10.403 3.476 1.00 0.85 S ATOM 536 CE MET A 36 -3.637 9.702 2.461 1.00 0.83 C ATOM 537 HA MET A 36 -6.018 8.192 7.158 1.00 0.00 H ATOM 538 HB2 MET A 36 -7.446 9.252 4.701 1.00 0.00 H ATOM 539 HB3 MET A 36 -6.488 10.187 5.874 1.00 0.00 H ATOM 540 HG2 MET A 36 -5.496 8.122 3.902 1.00 0.00 H ATOM 541 HG3 MET A 36 -4.497 8.813 5.202 1.00 0.00 H ATOM 542 HE1 MET A 36 -2.811 9.384 3.098 1.00 0.00 H ATOM 543 HE2 MET A 36 -4.028 8.843 1.915 1.00 0.00 H ATOM 544 HE3 MET A 36 -3.284 10.453 1.755 1.00 0.00 H ATOM 545 H MET A 36 -6.690 6.719 4.789 1.00 0.00 H ATOM 546 N ARG A 37 -9.219 7.878 6.519 1.00 0.36 N ATOM 547 CA ARG A 37 -10.575 8.016 7.042 1.00 0.38 C ATOM 548 C ARG A 37 -10.687 7.476 8.466 1.00 0.40 C ATOM 549 O ARG A 37 -11.452 7.998 9.271 1.00 0.45 O ATOM 550 CB ARG A 37 -11.558 7.286 6.121 1.00 0.41 C ATOM 551 CG ARG A 37 -13.015 7.416 6.525 1.00 0.51 C ATOM 552 CD ARG A 37 -13.905 6.563 5.635 1.00 0.71 C ATOM 553 NE ARG A 37 -15.313 6.944 5.733 1.00 1.03 N ATOM 554 CZ ARG A 37 -16.296 6.354 5.050 1.00 1.51 C ATOM 555 NH1 ARG A 37 -16.030 5.341 4.239 1.00 1.88 N ATOM 556 NH2 ARG A 37 -17.547 6.783 5.174 1.00 1.95 N ATOM 557 HA ARG A 37 -10.821 9.078 7.073 1.00 0.00 H ATOM 558 HB2 ARG A 37 -11.446 7.690 5.115 1.00 0.00 H ATOM 559 HB3 ARG A 37 -11.299 6.227 6.117 1.00 0.00 H ATOM 560 HG2 ARG A 37 -13.129 7.092 7.559 1.00 0.00 H ATOM 561 HG3 ARG A 37 -13.318 8.459 6.437 1.00 0.00 H ATOM 562 HD2 ARG A 37 -13.802 5.519 5.932 1.00 0.00 H ATOM 563 HD3 ARG A 37 -13.581 6.678 4.601 1.00 0.00 H ATOM 564 HE ARG A 37 -15.564 7.723 6.375 1.00 0.00 H ATOM 565 HH12 ARG A 37 -16.799 4.884 3.708 1.00 0.00 H ATOM 566 HH11 ARG A 37 -15.052 5.003 4.133 1.00 0.00 H ATOM 567 HH22 ARG A 37 -18.311 6.321 4.640 1.00 0.00 H ATOM 568 HH21 ARG A 37 -17.763 7.581 5.805 1.00 0.00 H ATOM 569 H ARG A 37 -9.080 7.352 5.633 1.00 0.00 H ATOM 570 N SER A 38 -9.921 6.439 8.772 1.00 0.42 N ATOM 571 CA SER A 38 -9.950 5.842 10.098 1.00 0.45 C ATOM 572 C SER A 38 -8.632 6.076 10.833 1.00 0.46 C ATOM 573 O SER A 38 -8.261 5.321 11.734 1.00 0.59 O ATOM 574 CB SER A 38 -10.235 4.346 9.982 1.00 0.53 C ATOM 575 OG SER A 38 -11.212 4.087 8.981 1.00 0.58 O ATOM 576 HA SER A 38 -10.744 6.316 10.675 1.00 0.00 H ATOM 577 HB2 SER A 38 -10.601 3.978 10.940 1.00 0.00 H ATOM 578 HB3 SER A 38 -9.313 3.827 9.722 1.00 0.00 H ATOM 579 HG SER A 38 -10.883 4.416 8.107 1.00 0.00 H ATOM 580 H SER A 38 -9.286 6.044 8.049 1.00 0.00 H ATOM 581 N LEU A 39 -7.929 7.130 10.445 1.00 0.40 N ATOM 582 CA LEU A 39 -6.653 7.461 11.063 1.00 0.43 C ATOM 583 C LEU A 39 -6.648 8.894 11.578 1.00 0.46 C ATOM 584 O LEU A 39 -6.263 9.143 12.722 1.00 0.58 O ATOM 585 CB LEU A 39 -5.507 7.257 10.073 1.00 0.44 C ATOM 586 CG LEU A 39 -4.100 7.284 10.682 1.00 0.46 C ATOM 587 CD1 LEU A 39 -3.907 6.110 11.631 1.00 0.72 C ATOM 588 CD2 LEU A 39 -3.048 7.263 9.583 1.00 0.52 C ATOM 589 HA LEU A 39 -6.511 6.791 11.911 1.00 0.00 H ATOM 590 HB2 LEU A 39 -5.647 6.289 9.591 1.00 0.00 H ATOM 591 HB3 LEU A 39 -5.565 8.047 9.324 1.00 0.00 H ATOM 592 HG LEU A 39 -3.986 8.206 11.252 1.00 0.00 H ATOM 593 HD21 LEU A 39 -3.162 6.356 8.990 1.00 0.00 H ATOM 594 HD22 LEU A 39 -3.176 8.136 8.943 1.00 0.00 H ATOM 595 HD23 LEU A 39 -2.055 7.283 10.032 1.00 0.00 H ATOM 596 HD11 LEU A 39 -4.642 6.169 12.434 1.00 0.00 H ATOM 597 HD12 LEU A 39 -4.039 5.177 11.084 1.00 0.00 H ATOM 598 HD13 LEU A 39 -2.903 6.147 12.053 1.00 0.00 H ATOM 599 H LEU A 39 -8.297 7.734 9.682 1.00 0.00 H ATOM 600 N GLY A 40 -7.068 9.831 10.731 1.00 0.44 N ATOM 601 CA GLY A 40 -7.098 11.234 11.119 1.00 0.50 C ATOM 602 C GLY A 40 -8.105 12.027 10.318 1.00 0.50 C ATOM 603 O GLY A 40 -7.813 13.137 9.867 1.00 0.56 O ATOM 604 HA3 GLY A 40 -6.108 11.663 10.962 1.00 0.00 H ATOM 605 HA2 GLY A 40 -7.358 11.301 12.175 1.00 0.00 H ATOM 606 H GLY A 40 -7.380 9.557 9.777 1.00 0.00 H ATOM 607 N GLN A 41 -9.287 11.437 10.144 1.00 0.49 N ATOM 608 CA GLN A 41 -10.386 12.044 9.396 1.00 0.54 C ATOM 609 C GLN A 41 -10.092 12.057 7.897 1.00 0.51 C ATOM 610 O GLN A 41 -8.952 12.237 7.468 1.00 0.60 O ATOM 611 CB GLN A 41 -10.699 13.456 9.900 1.00 0.62 C ATOM 612 CG GLN A 41 -12.121 13.907 9.572 1.00 1.04 C ATOM 613 CD GLN A 41 -13.135 12.788 9.722 1.00 1.93 C ATOM 614 OE1 GLN A 41 -13.448 12.079 8.765 1.00 2.45 O ATOM 615 NE2 GLN A 41 -13.641 12.621 10.927 1.00 2.83 N ATOM 616 HA GLN A 41 -11.270 11.429 9.564 1.00 0.00 H ATOM 617 HB2 GLN A 41 -10.569 13.475 10.982 1.00 0.00 H ATOM 618 HB3 GLN A 41 -9.999 14.153 9.439 1.00 0.00 H ATOM 619 HG2 GLN A 41 -12.394 14.719 10.245 1.00 0.00 H ATOM 620 HG3 GLN A 41 -12.146 14.266 8.543 1.00 0.00 H ATOM 621 HE22 GLN A 41 -13.347 13.245 11.706 1.00 0.00 H ATOM 622 HE21 GLN A 41 -14.335 11.866 11.100 1.00 0.00 H ATOM 623 H GLN A 41 -9.435 10.496 10.562 1.00 0.00 H ATOM 624 N ASN A 42 -11.131 11.846 7.107 1.00 0.53 N ATOM 625 CA ASN A 42 -11.000 11.811 5.658 1.00 0.53 C ATOM 626 C ASN A 42 -11.146 13.208 5.067 1.00 0.50 C ATOM 627 O ASN A 42 -12.061 13.953 5.430 1.00 0.56 O ATOM 628 CB ASN A 42 -12.059 10.883 5.048 1.00 0.67 C ATOM 629 CG ASN A 42 -11.771 10.525 3.605 1.00 0.73 C ATOM 630 OD1 ASN A 42 -10.994 9.620 3.327 1.00 0.96 O ATOM 631 ND2 ASN A 42 -12.401 11.225 2.678 1.00 0.63 N ATOM 632 HA ASN A 42 -10.007 11.430 5.420 1.00 0.00 H ATOM 633 HB2 ASN A 42 -12.095 9.964 5.634 1.00 0.00 H ATOM 634 HB3 ASN A 42 -13.027 11.381 5.096 1.00 0.00 H ATOM 635 HD22 ASN A 42 -13.053 11.986 2.955 1.00 0.00 H ATOM 636 HD21 ASN A 42 -12.244 11.015 1.672 1.00 0.00 H ATOM 637 H ASN A 42 -12.069 11.701 7.533 1.00 0.00 H ATOM 638 N PRO A 43 -10.234 13.587 4.156 1.00 0.49 N ATOM 639 CA PRO A 43 -10.279 14.889 3.484 1.00 0.54 C ATOM 640 C PRO A 43 -11.379 14.930 2.428 1.00 0.50 C ATOM 641 O PRO A 43 -12.128 13.967 2.267 1.00 0.48 O ATOM 642 CB PRO A 43 -8.900 14.983 2.835 1.00 0.61 C ATOM 643 CG PRO A 43 -8.483 13.576 2.597 1.00 0.60 C ATOM 644 CD PRO A 43 -9.083 12.770 3.704 1.00 0.56 C ATOM 645 HA PRO A 43 -10.498 15.713 4.163 1.00 0.00 H ATOM 646 HD3 PRO A 43 -9.416 11.798 3.340 1.00 0.00 H ATOM 647 HD2 PRO A 43 -8.366 12.628 4.513 1.00 0.00 H ATOM 648 HG3 PRO A 43 -7.396 13.495 2.617 1.00 0.00 H ATOM 649 HG2 PRO A 43 -8.855 13.229 1.633 1.00 0.00 H ATOM 650 HB2 PRO A 43 -8.957 15.529 1.894 1.00 0.00 H ATOM 651 HB3 PRO A 43 -8.197 15.483 3.502 1.00 0.00 H ATOM 652 N THR A 44 -11.488 16.036 1.711 1.00 0.57 N ATOM 653 CA THR A 44 -12.510 16.162 0.684 1.00 0.59 C ATOM 654 C THR A 44 -12.096 15.416 -0.586 1.00 0.53 C ATOM 655 O THR A 44 -10.929 15.040 -0.746 1.00 0.50 O ATOM 656 CB THR A 44 -12.805 17.641 0.363 1.00 0.71 C ATOM 657 OG1 THR A 44 -11.627 18.288 -0.132 1.00 0.72 O ATOM 658 CG2 THR A 44 -13.292 18.370 1.601 1.00 0.80 C ATOM 659 HA THR A 44 -13.424 15.712 1.072 1.00 0.00 H ATOM 660 HB THR A 44 -13.583 17.671 -0.399 1.00 0.00 H ATOM 661 HG1 THR A 44 -10.914 18.242 0.553 1.00 0.00 H ATOM 662 HG23 THR A 44 -14.189 17.880 1.980 1.00 0.00 H ATOM 663 HG21 THR A 44 -12.514 18.348 2.364 1.00 0.00 H ATOM 664 HG22 THR A 44 -13.522 19.404 1.345 1.00 0.00 H ATOM 665 H THR A 44 -10.834 16.826 1.884 1.00 0.00 H ATOM 666 N GLU A 45 -13.052 15.192 -1.483 1.00 0.58 N ATOM 667 CA GLU A 45 -12.793 14.483 -2.732 1.00 0.58 C ATOM 668 C GLU A 45 -11.702 15.179 -3.538 1.00 0.57 C ATOM 669 O GLU A 45 -10.830 14.528 -4.117 1.00 0.56 O ATOM 670 CB GLU A 45 -14.072 14.379 -3.569 1.00 0.68 C ATOM 671 CG GLU A 45 -15.215 13.675 -2.856 1.00 0.81 C ATOM 672 CD GLU A 45 -16.157 14.633 -2.144 1.00 1.39 C ATOM 673 OE1 GLU A 45 -15.690 15.678 -1.632 1.00 2.13 O ATOM 674 OE2 GLU A 45 -17.374 14.348 -2.097 1.00 1.82 O ATOM 675 HA GLU A 45 -12.452 13.479 -2.480 1.00 0.00 H ATOM 676 HB2 GLU A 45 -14.397 15.387 -3.828 1.00 0.00 H ATOM 677 HB3 GLU A 45 -13.843 13.827 -4.480 1.00 0.00 H ATOM 678 HG2 GLU A 45 -15.787 13.109 -3.592 1.00 0.00 H ATOM 679 HG3 GLU A 45 -14.795 12.990 -2.119 1.00 0.00 H ATOM 680 H GLU A 45 -14.015 15.533 -1.288 1.00 0.00 H ATOM 681 N ALA A 46 -11.750 16.507 -3.561 1.00 0.60 N ATOM 682 CA ALA A 46 -10.762 17.296 -4.286 1.00 0.61 C ATOM 683 C ALA A 46 -9.360 17.035 -3.748 1.00 0.55 C ATOM 684 O ALA A 46 -8.415 16.832 -4.512 1.00 0.54 O ATOM 685 CB ALA A 46 -11.103 18.774 -4.205 1.00 0.70 C ATOM 686 HA ALA A 46 -10.782 16.994 -5.333 1.00 0.00 H ATOM 687 HB1 ALA A 46 -12.086 18.943 -4.645 1.00 0.00 H ATOM 688 HB2 ALA A 46 -11.112 19.087 -3.161 1.00 0.00 H ATOM 689 HB3 ALA A 46 -10.355 19.349 -4.752 1.00 0.00 H ATOM 690 H ALA A 46 -12.512 16.996 -3.049 1.00 0.00 H ATOM 691 N GLU A 47 -9.248 17.034 -2.428 1.00 0.54 N ATOM 692 CA GLU A 47 -7.979 16.785 -1.755 1.00 0.51 C ATOM 693 C GLU A 47 -7.470 15.373 -2.047 1.00 0.46 C ATOM 694 O GLU A 47 -6.271 15.152 -2.205 1.00 0.46 O ATOM 695 CB GLU A 47 -8.131 16.971 -0.244 1.00 0.55 C ATOM 696 CG GLU A 47 -8.363 18.405 0.180 1.00 0.66 C ATOM 697 CD GLU A 47 -8.768 18.506 1.634 1.00 0.72 C ATOM 698 OE1 GLU A 47 -9.973 18.360 1.930 1.00 0.76 O ATOM 699 OE2 GLU A 47 -7.887 18.708 2.493 1.00 0.81 O ATOM 700 HA GLU A 47 -7.254 17.504 -2.136 1.00 0.00 H ATOM 701 HB2 GLU A 47 -8.978 16.373 0.092 1.00 0.00 H ATOM 702 HB3 GLU A 47 -7.221 16.614 0.239 1.00 0.00 H ATOM 703 HG2 GLU A 47 -7.443 18.970 0.030 1.00 0.00 H ATOM 704 HG3 GLU A 47 -9.154 18.831 -0.437 1.00 0.00 H ATOM 705 H GLU A 47 -10.094 17.217 -1.852 1.00 0.00 H ATOM 706 N LEU A 48 -8.392 14.423 -2.135 1.00 0.44 N ATOM 707 CA LEU A 48 -8.033 13.042 -2.404 1.00 0.44 C ATOM 708 C LEU A 48 -7.596 12.886 -3.854 1.00 0.43 C ATOM 709 O LEU A 48 -6.668 12.131 -4.157 1.00 0.43 O ATOM 710 CB LEU A 48 -9.209 12.111 -2.095 1.00 0.51 C ATOM 711 CG LEU A 48 -8.810 10.704 -1.647 1.00 0.64 C ATOM 712 CD1 LEU A 48 -8.061 10.750 -0.321 1.00 0.76 C ATOM 713 CD2 LEU A 48 -10.038 9.808 -1.530 1.00 0.73 C ATOM 714 HA LEU A 48 -7.200 12.767 -1.757 1.00 0.00 H ATOM 715 HB2 LEU A 48 -9.802 12.565 -1.301 1.00 0.00 H ATOM 716 HB3 LEU A 48 -9.817 12.021 -2.995 1.00 0.00 H ATOM 717 HG LEU A 48 -8.146 10.285 -2.403 1.00 0.00 H ATOM 718 HD21 LEU A 48 -10.726 10.230 -0.797 1.00 0.00 H ATOM 719 HD22 LEU A 48 -10.533 9.743 -2.499 1.00 0.00 H ATOM 720 HD23 LEU A 48 -9.731 8.812 -1.210 1.00 0.00 H ATOM 721 HD11 LEU A 48 -7.159 11.352 -0.435 1.00 0.00 H ATOM 722 HD12 LEU A 48 -8.701 11.194 0.441 1.00 0.00 H ATOM 723 HD13 LEU A 48 -7.788 9.737 -0.024 1.00 0.00 H ATOM 724 H LEU A 48 -9.394 14.673 -2.009 1.00 0.00 H ATOM 725 N GLN A 49 -8.279 13.598 -4.737 1.00 0.45 N ATOM 726 CA GLN A 49 -7.962 13.572 -6.161 1.00 0.47 C ATOM 727 C GLN A 49 -6.535 14.044 -6.393 1.00 0.46 C ATOM 728 O GLN A 49 -5.765 13.418 -7.123 1.00 0.48 O ATOM 729 CB GLN A 49 -8.942 14.458 -6.944 1.00 0.53 C ATOM 730 CG GLN A 49 -8.590 14.611 -8.419 1.00 0.74 C ATOM 731 CD GLN A 49 -9.285 15.789 -9.064 1.00 0.84 C ATOM 732 OE1 GLN A 49 -10.394 15.666 -9.580 1.00 0.99 O ATOM 733 NE2 GLN A 49 -8.644 16.949 -9.037 1.00 1.12 N ATOM 734 HA GLN A 49 -8.056 12.546 -6.516 1.00 0.00 H ATOM 735 HB2 GLN A 49 -9.937 14.018 -6.872 1.00 0.00 H ATOM 736 HB3 GLN A 49 -8.950 15.448 -6.488 1.00 0.00 H ATOM 737 HG2 GLN A 49 -7.513 14.749 -8.508 1.00 0.00 H ATOM 738 HG3 GLN A 49 -8.883 13.702 -8.944 1.00 0.00 H ATOM 739 HE22 GLN A 49 -7.707 17.015 -8.591 1.00 0.00 H ATOM 740 HE21 GLN A 49 -9.078 17.793 -9.461 1.00 0.00 H ATOM 741 H GLN A 49 -9.065 14.193 -4.406 1.00 0.00 H ATOM 742 N ASP A 50 -6.186 15.142 -5.744 1.00 0.45 N ATOM 743 CA ASP A 50 -4.855 15.718 -5.869 1.00 0.46 C ATOM 744 C ASP A 50 -3.803 14.772 -5.312 1.00 0.42 C ATOM 745 O ASP A 50 -2.711 14.654 -5.862 1.00 0.45 O ATOM 746 CB ASP A 50 -4.777 17.054 -5.128 1.00 0.51 C ATOM 747 CG ASP A 50 -3.501 17.811 -5.436 1.00 0.60 C ATOM 748 OD1 ASP A 50 -3.227 18.052 -6.633 1.00 1.42 O ATOM 749 OD2 ASP A 50 -2.770 18.169 -4.489 1.00 1.10 O ATOM 750 HA ASP A 50 -4.661 15.882 -6.929 1.00 0.00 H ATOM 751 HB2 ASP A 50 -5.628 17.668 -5.422 1.00 0.00 H ATOM 752 HB3 ASP A 50 -4.821 16.863 -4.056 1.00 0.00 H ATOM 753 H ASP A 50 -6.882 15.607 -5.127 1.00 0.00 H ATOM 754 N MET A 51 -4.154 14.086 -4.229 1.00 0.39 N ATOM 755 CA MET A 51 -3.240 13.163 -3.570 1.00 0.38 C ATOM 756 C MET A 51 -2.850 11.989 -4.464 1.00 0.37 C ATOM 757 O MET A 51 -1.671 11.654 -4.559 1.00 0.38 O ATOM 758 CB MET A 51 -3.845 12.656 -2.263 1.00 0.41 C ATOM 759 CG MET A 51 -3.131 13.180 -1.029 1.00 0.45 C ATOM 760 SD MET A 51 -1.399 12.673 -0.959 1.00 0.54 S ATOM 761 CE MET A 51 -1.564 10.887 -0.993 1.00 0.40 C ATOM 762 HA MET A 51 -2.327 13.718 -3.354 1.00 0.00 H ATOM 763 HB2 MET A 51 -4.888 12.970 -2.219 1.00 0.00 H ATOM 764 HB3 MET A 51 -3.794 11.567 -2.257 1.00 0.00 H ATOM 765 HG2 MET A 51 -3.642 12.802 -0.143 1.00 0.00 H ATOM 766 HG3 MET A 51 -3.176 14.269 -1.036 1.00 0.00 H ATOM 767 HE1 MET A 51 -2.148 10.561 -0.133 1.00 0.00 H ATOM 768 HE2 MET A 51 -2.069 10.587 -1.911 1.00 0.00 H ATOM 769 HE3 MET A 51 -0.575 10.431 -0.955 1.00 0.00 H ATOM 770 H MET A 51 -5.110 14.212 -3.840 1.00 0.00 H ATOM 771 N ILE A 52 -3.820 11.360 -5.129 1.00 0.39 N ATOM 772 CA ILE A 52 -3.510 10.227 -5.999 1.00 0.43 C ATOM 773 C ILE A 52 -2.801 10.714 -7.268 1.00 0.47 C ATOM 774 O ILE A 52 -2.017 9.986 -7.877 1.00 0.52 O ATOM 775 CB ILE A 52 -4.768 9.392 -6.359 1.00 0.48 C ATOM 776 CG1 ILE A 52 -4.363 8.086 -7.052 1.00 0.49 C ATOM 777 CG2 ILE A 52 -5.723 10.184 -7.238 1.00 0.59 C ATOM 778 CD1 ILE A 52 -3.744 7.048 -6.122 1.00 0.46 C ATOM 779 HA ILE A 52 -2.843 9.566 -5.446 1.00 0.00 H ATOM 780 HB ILE A 52 -5.287 9.152 -5.431 1.00 0.00 H ATOM 781 HG12 ILE A 52 -5.253 7.650 -7.506 1.00 0.00 H ATOM 782 HG13 ILE A 52 -3.638 8.323 -7.831 1.00 0.00 H ATOM 783 HD11 ILE A 52 -2.844 7.461 -5.667 1.00 0.00 H ATOM 784 HD12 ILE A 52 -4.460 6.787 -5.343 1.00 0.00 H ATOM 785 HD13 ILE A 52 -3.487 6.156 -6.694 1.00 0.00 H ATOM 786 HG21 ILE A 52 -6.042 11.082 -6.709 1.00 0.00 H ATOM 787 HG22 ILE A 52 -5.216 10.465 -8.161 1.00 0.00 H ATOM 788 HG23 ILE A 52 -6.593 9.571 -7.472 1.00 0.00 H ATOM 789 H ILE A 52 -4.805 11.678 -5.028 1.00 0.00 H ATOM 790 N ASN A 53 -3.054 11.965 -7.633 1.00 0.50 N ATOM 791 CA ASN A 53 -2.428 12.573 -8.802 1.00 0.57 C ATOM 792 C ASN A 53 -0.975 12.917 -8.486 1.00 0.56 C ATOM 793 O ASN A 53 -0.131 13.036 -9.375 1.00 0.61 O ATOM 794 CB ASN A 53 -3.209 13.829 -9.205 1.00 0.65 C ATOM 795 CG ASN A 53 -2.409 14.792 -10.057 1.00 0.72 C ATOM 796 OD1 ASN A 53 -2.252 14.588 -11.255 1.00 0.98 O ATOM 797 ND2 ASN A 53 -1.922 15.867 -9.452 1.00 1.06 N ATOM 798 HA ASN A 53 -2.443 11.871 -9.636 1.00 0.00 H ATOM 799 HB2 ASN A 53 -4.091 13.521 -9.767 1.00 0.00 H ATOM 800 HB3 ASN A 53 -3.520 14.347 -8.298 1.00 0.00 H ATOM 801 HD22 ASN A 53 -2.076 16.005 -8.433 1.00 0.00 H ATOM 802 HD21 ASN A 53 -1.386 16.572 -9.997 1.00 0.00 H ATOM 803 H ASN A 53 -3.720 12.530 -7.068 1.00 0.00 H ATOM 804 N GLU A 54 -0.700 13.041 -7.196 1.00 0.50 N ATOM 805 CA GLU A 54 0.629 13.378 -6.710 1.00 0.51 C ATOM 806 C GLU A 54 1.507 12.131 -6.602 1.00 0.50 C ATOM 807 O GLU A 54 2.705 12.222 -6.338 1.00 0.71 O ATOM 808 CB GLU A 54 0.514 14.073 -5.350 1.00 0.53 C ATOM 809 CG GLU A 54 1.779 14.788 -4.914 1.00 0.62 C ATOM 810 CD GLU A 54 1.523 15.785 -3.811 1.00 0.91 C ATOM 811 OE1 GLU A 54 1.388 15.365 -2.651 1.00 1.58 O ATOM 812 OE2 GLU A 54 1.479 16.997 -4.098 1.00 1.46 O ATOM 813 HA GLU A 54 1.102 14.055 -7.422 1.00 0.00 H ATOM 814 HB2 GLU A 54 -0.292 14.805 -5.406 1.00 0.00 H ATOM 815 HB3 GLU A 54 0.269 13.321 -4.600 1.00 0.00 H ATOM 816 HG2 GLU A 54 2.495 14.048 -4.558 1.00 0.00 H ATOM 817 HG3 GLU A 54 2.198 15.314 -5.772 1.00 0.00 H ATOM 818 H GLU A 54 -1.463 12.892 -6.505 1.00 0.00 H ATOM 819 N VAL A 55 0.908 10.967 -6.812 1.00 0.48 N ATOM 820 CA VAL A 55 1.649 9.712 -6.734 1.00 0.46 C ATOM 821 C VAL A 55 1.635 8.975 -8.077 1.00 0.47 C ATOM 822 O VAL A 55 2.682 8.551 -8.576 1.00 0.69 O ATOM 823 CB VAL A 55 1.119 8.783 -5.601 1.00 0.47 C ATOM 824 CG1 VAL A 55 -0.372 8.948 -5.382 1.00 0.39 C ATOM 825 CG2 VAL A 55 1.436 7.328 -5.883 1.00 0.82 C ATOM 826 HA VAL A 55 2.679 9.973 -6.490 1.00 0.00 H ATOM 827 HB VAL A 55 1.634 9.085 -4.689 1.00 0.00 H ATOM 828 HG11 VAL A 55 -0.585 9.980 -5.104 1.00 0.00 H ATOM 829 HG12 VAL A 55 -0.903 8.701 -6.302 1.00 0.00 H ATOM 830 HG13 VAL A 55 -0.697 8.281 -4.583 1.00 0.00 H ATOM 831 HG21 VAL A 55 0.968 7.031 -6.821 1.00 0.00 H ATOM 832 HG22 VAL A 55 2.516 7.201 -5.958 1.00 0.00 H ATOM 833 HG23 VAL A 55 1.051 6.710 -5.072 1.00 0.00 H ATOM 834 H VAL A 55 -0.107 10.948 -7.036 1.00 0.00 H ATOM 835 N ASP A 56 0.457 8.835 -8.666 1.00 0.52 N ATOM 836 CA ASP A 56 0.326 8.143 -9.937 1.00 0.52 C ATOM 837 C ASP A 56 0.835 9.021 -11.071 1.00 0.62 C ATOM 838 O ASP A 56 0.148 9.943 -11.511 1.00 0.70 O ATOM 839 CB ASP A 56 -1.126 7.739 -10.189 1.00 0.53 C ATOM 840 CG ASP A 56 -1.240 6.758 -11.329 1.00 0.52 C ATOM 841 OD1 ASP A 56 -0.842 5.581 -11.149 1.00 0.52 O ATOM 842 OD2 ASP A 56 -1.720 7.153 -12.407 1.00 0.57 O ATOM 843 HA ASP A 56 0.930 7.237 -9.896 1.00 0.00 H ATOM 844 HB2 ASP A 56 -1.528 7.280 -9.286 1.00 0.00 H ATOM 845 HB3 ASP A 56 -1.705 8.631 -10.430 1.00 0.00 H ATOM 846 H ASP A 56 -0.391 9.228 -8.210 1.00 0.00 H ATOM 847 N ALA A 57 2.047 8.739 -11.526 1.00 0.68 N ATOM 848 CA ALA A 57 2.659 9.505 -12.597 1.00 0.81 C ATOM 849 C ALA A 57 2.297 8.942 -13.964 1.00 0.81 C ATOM 850 O ALA A 57 2.617 9.537 -14.994 1.00 0.88 O ATOM 851 CB ALA A 57 4.170 9.541 -12.412 1.00 0.90 C ATOM 852 HA ALA A 57 2.271 10.523 -12.552 1.00 0.00 H ATOM 853 HB1 ALA A 57 4.407 10.007 -11.456 1.00 0.00 H ATOM 854 HB2 ALA A 57 4.561 8.524 -12.428 1.00 0.00 H ATOM 855 HB3 ALA A 57 4.620 10.118 -13.220 1.00 0.00 H ATOM 856 H ALA A 57 2.574 7.948 -11.105 1.00 0.00 H ATOM 857 N ASP A 58 1.644 7.789 -13.978 1.00 0.76 N ATOM 858 CA ASP A 58 1.246 7.157 -15.229 1.00 0.79 C ATOM 859 C ASP A 58 -0.026 7.797 -15.789 1.00 0.80 C ATOM 860 O ASP A 58 -0.255 7.800 -17.002 1.00 0.85 O ATOM 861 CB ASP A 58 1.092 5.630 -15.087 1.00 0.76 C ATOM 862 CG ASP A 58 0.769 5.127 -13.683 1.00 0.61 C ATOM 863 OD1 ASP A 58 1.364 5.585 -12.690 1.00 0.59 O ATOM 864 OD2 ASP A 58 -0.084 4.231 -13.543 1.00 0.62 O ATOM 865 HA ASP A 58 2.051 7.327 -15.944 1.00 0.00 H ATOM 866 HB2 ASP A 58 0.289 5.311 -15.751 1.00 0.00 H ATOM 867 HB3 ASP A 58 2.027 5.168 -15.402 1.00 0.00 H ATOM 868 H ASP A 58 1.411 7.325 -13.077 1.00 0.00 H ATOM 869 N GLY A 59 -0.854 8.336 -14.909 1.00 0.85 N ATOM 870 CA GLY A 59 -2.056 9.019 -15.346 1.00 0.90 C ATOM 871 C GLY A 59 -3.297 8.147 -15.400 1.00 0.91 C ATOM 872 O GLY A 59 -4.048 8.202 -16.371 1.00 1.03 O ATOM 873 HA3 GLY A 59 -1.877 9.417 -16.345 1.00 0.00 H ATOM 874 HA2 GLY A 59 -2.249 9.842 -14.658 1.00 0.00 H ATOM 875 H GLY A 59 -0.640 8.269 -13.893 1.00 0.00 H ATOM 876 N ASN A 60 -3.519 7.342 -14.371 1.00 0.82 N ATOM 877 CA ASN A 60 -4.699 6.485 -14.320 1.00 0.85 C ATOM 878 C ASN A 60 -5.221 6.351 -12.891 1.00 0.78 C ATOM 879 O ASN A 60 -6.321 5.848 -12.673 1.00 0.93 O ATOM 880 CB ASN A 60 -4.402 5.101 -14.905 1.00 0.88 C ATOM 881 CG ASN A 60 -3.128 4.488 -14.359 1.00 0.93 C ATOM 882 OD1 ASN A 60 -3.028 4.162 -13.176 1.00 1.23 O ATOM 883 ND2 ASN A 60 -2.145 4.318 -15.224 1.00 1.61 N ATOM 884 HA ASN A 60 -5.472 6.957 -14.927 1.00 0.00 H ATOM 885 HB2 ASN A 60 -5.235 4.438 -14.670 1.00 0.00 H ATOM 886 HB3 ASN A 60 -4.307 5.194 -15.987 1.00 0.00 H ATOM 887 HD22 ASN A 60 -2.269 4.607 -16.215 1.00 0.00 H ATOM 888 HD21 ASN A 60 -1.247 3.895 -14.914 1.00 0.00 H ATOM 889 H ASN A 60 -2.839 7.321 -13.584 1.00 0.00 H ATOM 890 N GLY A 61 -4.425 6.795 -11.922 1.00 0.64 N ATOM 891 CA GLY A 61 -4.841 6.727 -10.529 1.00 0.63 C ATOM 892 C GLY A 61 -4.754 5.325 -9.964 1.00 0.58 C ATOM 893 O GLY A 61 -5.483 4.970 -9.038 1.00 0.67 O ATOM 894 HA3 GLY A 61 -5.873 7.070 -10.455 1.00 0.00 H ATOM 895 HA2 GLY A 61 -4.199 7.382 -9.940 1.00 0.00 H ATOM 896 H GLY A 61 -3.496 7.195 -12.162 1.00 0.00 H ATOM 897 N THR A 62 -3.877 4.516 -10.530 1.00 0.53 N ATOM 898 CA THR A 62 -3.706 3.150 -10.078 1.00 0.52 C ATOM 899 C THR A 62 -2.230 2.767 -10.044 1.00 0.49 C ATOM 900 O THR A 62 -1.469 3.072 -10.971 1.00 0.54 O ATOM 901 CB THR A 62 -4.469 2.173 -10.997 1.00 0.58 C ATOM 902 OG1 THR A 62 -5.867 2.487 -10.992 1.00 0.65 O ATOM 903 CG2 THR A 62 -4.270 0.727 -10.565 1.00 0.65 C ATOM 904 HA THR A 62 -4.111 3.083 -9.068 1.00 0.00 H ATOM 905 HB THR A 62 -4.069 2.284 -12.005 1.00 0.00 H ATOM 906 HG1 THR A 62 -6.348 1.856 -11.584 1.00 0.00 H ATOM 907 HG23 THR A 62 -3.206 0.491 -10.570 1.00 0.00 H ATOM 908 HG21 THR A 62 -4.669 0.591 -9.560 1.00 0.00 H ATOM 909 HG22 THR A 62 -4.793 0.067 -11.257 1.00 0.00 H ATOM 910 H THR A 62 -3.296 4.867 -11.318 1.00 0.00 H ATOM 911 N ILE A 63 -1.830 2.124 -8.953 1.00 0.47 N ATOM 912 CA ILE A 63 -0.459 1.666 -8.786 1.00 0.46 C ATOM 913 C ILE A 63 -0.423 0.149 -8.627 1.00 0.50 C ATOM 914 O ILE A 63 -1.030 -0.406 -7.707 1.00 0.48 O ATOM 915 CB ILE A 63 0.238 2.353 -7.574 1.00 0.43 C ATOM 916 CG1 ILE A 63 0.865 3.686 -8.017 1.00 0.44 C ATOM 917 CG2 ILE A 63 1.278 1.438 -6.926 1.00 0.45 C ATOM 918 CD1 ILE A 63 2.170 4.032 -7.316 1.00 0.42 C ATOM 919 HA ILE A 63 0.092 1.945 -9.684 1.00 0.00 H ATOM 920 HB ILE A 63 -0.518 2.557 -6.816 1.00 0.00 H ATOM 921 HG12 ILE A 63 1.057 3.633 -9.089 1.00 0.00 H ATOM 922 HG13 ILE A 63 0.149 4.483 -7.817 1.00 0.00 H ATOM 923 HD11 ILE A 63 1.996 4.104 -6.242 1.00 0.00 H ATOM 924 HD12 ILE A 63 2.906 3.253 -7.515 1.00 0.00 H ATOM 925 HD13 ILE A 63 2.540 4.987 -7.690 1.00 0.00 H ATOM 926 HG21 ILE A 63 0.791 0.529 -6.572 1.00 0.00 H ATOM 927 HG22 ILE A 63 2.041 1.180 -7.660 1.00 0.00 H ATOM 928 HG23 ILE A 63 1.741 1.954 -6.085 1.00 0.00 H ATOM 929 H ILE A 63 -2.518 1.942 -8.195 1.00 0.00 H ATOM 930 N ASP A 64 0.263 -0.508 -9.550 1.00 0.57 N ATOM 931 CA ASP A 64 0.398 -1.954 -9.527 1.00 0.64 C ATOM 932 C ASP A 64 1.703 -2.348 -8.831 1.00 0.65 C ATOM 933 O ASP A 64 2.412 -1.492 -8.299 1.00 0.61 O ATOM 934 CB ASP A 64 0.374 -2.498 -10.962 1.00 0.70 C ATOM 935 CG ASP A 64 -0.146 -3.921 -11.051 1.00 0.82 C ATOM 936 OD1 ASP A 64 0.612 -4.858 -10.724 1.00 0.95 O ATOM 937 OD2 ASP A 64 -1.312 -4.108 -11.458 1.00 1.09 O ATOM 938 HA ASP A 64 -0.435 -2.384 -8.971 1.00 0.00 H ATOM 939 HB2 ASP A 64 -0.267 -1.856 -11.566 1.00 0.00 H ATOM 940 HB3 ASP A 64 1.389 -2.474 -11.359 1.00 0.00 H ATOM 941 H ASP A 64 0.719 0.028 -10.315 1.00 0.00 H ATOM 942 N PHE A 65 2.022 -3.633 -8.863 1.00 0.73 N ATOM 943 CA PHE A 65 3.236 -4.152 -8.243 1.00 0.77 C ATOM 944 C PHE A 65 4.490 -3.453 -8.789 1.00 0.75 C ATOM 945 O PHE A 65 5.296 -2.946 -8.005 1.00 0.75 O ATOM 946 CB PHE A 65 3.342 -5.665 -8.457 1.00 0.88 C ATOM 947 CG PHE A 65 2.502 -6.478 -7.512 1.00 1.13 C ATOM 948 CD1 PHE A 65 1.116 -6.405 -7.543 1.00 1.40 C ATOM 949 CD2 PHE A 65 3.100 -7.325 -6.589 1.00 1.38 C ATOM 950 CE1 PHE A 65 0.349 -7.153 -6.673 1.00 1.70 C ATOM 951 CE2 PHE A 65 2.334 -8.076 -5.718 1.00 1.68 C ATOM 952 CZ PHE A 65 0.958 -7.987 -5.763 1.00 1.78 C ATOM 953 HA PHE A 65 3.174 -3.947 -7.174 1.00 0.00 H ATOM 954 HB2 PHE A 65 3.027 -5.890 -9.476 1.00 0.00 H ATOM 955 HB3 PHE A 65 4.384 -5.957 -8.327 1.00 0.00 H ATOM 956 HD2 PHE A 65 4.187 -7.399 -6.551 1.00 0.00 H ATOM 957 HE2 PHE A 65 2.816 -8.737 -4.997 1.00 0.00 H ATOM 958 HZ PHE A 65 0.352 -8.578 -5.077 1.00 0.00 H ATOM 959 HE1 PHE A 65 -0.738 -7.083 -6.706 1.00 0.00 H ATOM 960 HD1 PHE A 65 0.628 -5.749 -8.263 1.00 0.00 H ATOM 961 H PHE A 65 1.384 -4.296 -9.348 1.00 0.00 H ATOM 962 N PRO A 66 4.686 -3.407 -10.138 1.00 0.76 N ATOM 963 CA PRO A 66 5.847 -2.739 -10.749 1.00 0.78 C ATOM 964 C PRO A 66 5.988 -1.284 -10.289 1.00 0.73 C ATOM 965 O PRO A 66 7.099 -0.794 -10.082 1.00 0.77 O ATOM 966 CB PRO A 66 5.556 -2.791 -12.260 1.00 0.79 C ATOM 967 CG PRO A 66 4.135 -3.208 -12.394 1.00 0.77 C ATOM 968 CD PRO A 66 3.825 -4.015 -11.172 1.00 0.79 C ATOM 969 HA PRO A 66 6.781 -3.226 -10.468 1.00 0.00 H ATOM 970 HD3 PRO A 66 2.772 -3.930 -10.904 1.00 0.00 H ATOM 971 HD2 PRO A 66 4.076 -5.065 -11.322 1.00 0.00 H ATOM 972 HG3 PRO A 66 4.000 -3.812 -13.291 1.00 0.00 H ATOM 973 HG2 PRO A 66 3.486 -2.333 -12.445 1.00 0.00 H ATOM 974 HB2 PRO A 66 5.706 -1.809 -12.708 1.00 0.00 H ATOM 975 HB3 PRO A 66 6.210 -3.515 -12.747 1.00 0.00 H ATOM 976 N GLU A 67 4.858 -0.600 -10.118 1.00 0.66 N ATOM 977 CA GLU A 67 4.869 0.795 -9.679 1.00 0.62 C ATOM 978 C GLU A 67 5.241 0.887 -8.202 1.00 0.62 C ATOM 979 O GLU A 67 6.087 1.690 -7.806 1.00 0.64 O ATOM 980 CB GLU A 67 3.498 1.437 -9.899 1.00 0.58 C ATOM 981 CG GLU A 67 3.112 1.611 -11.354 1.00 0.60 C ATOM 982 CD GLU A 67 1.630 1.893 -11.514 1.00 0.54 C ATOM 983 OE1 GLU A 67 1.217 3.065 -11.335 1.00 0.52 O ATOM 984 OE2 GLU A 67 0.866 0.950 -11.786 1.00 0.61 O ATOM 985 HA GLU A 67 5.613 1.329 -10.270 1.00 0.00 H ATOM 986 HB2 GLU A 67 2.747 0.809 -9.420 1.00 0.00 H ATOM 987 HB3 GLU A 67 3.502 2.420 -9.428 1.00 0.00 H ATOM 988 HG2 GLU A 67 3.677 2.444 -11.772 1.00 0.00 H ATOM 989 HG3 GLU A 67 3.358 0.698 -11.896 1.00 0.00 H ATOM 990 H GLU A 67 3.948 -1.068 -10.301 1.00 0.00 H ATOM 991 N PHE A 68 4.616 0.033 -7.407 1.00 0.60 N ATOM 992 CA PHE A 68 4.843 -0.009 -5.967 1.00 0.59 C ATOM 993 C PHE A 68 6.306 -0.294 -5.652 1.00 0.63 C ATOM 994 O PHE A 68 6.869 0.268 -4.710 1.00 0.67 O ATOM 995 CB PHE A 68 3.949 -1.081 -5.336 1.00 0.60 C ATOM 996 CG PHE A 68 3.991 -1.099 -3.835 1.00 0.58 C ATOM 997 CD1 PHE A 68 3.209 -0.224 -3.098 1.00 0.55 C ATOM 998 CD2 PHE A 68 4.809 -1.994 -3.162 1.00 0.71 C ATOM 999 CE1 PHE A 68 3.245 -0.237 -1.717 1.00 0.62 C ATOM 1000 CE2 PHE A 68 4.849 -2.011 -1.783 1.00 0.77 C ATOM 1001 CZ PHE A 68 4.064 -1.132 -1.058 1.00 0.71 C ATOM 1002 HA PHE A 68 4.592 0.966 -5.548 1.00 0.00 H ATOM 1003 HB2 PHE A 68 2.921 -0.899 -5.649 1.00 0.00 H ATOM 1004 HB3 PHE A 68 4.272 -2.056 -5.701 1.00 0.00 H ATOM 1005 HD2 PHE A 68 5.427 -2.691 -3.728 1.00 0.00 H ATOM 1006 HE2 PHE A 68 5.499 -2.716 -1.265 1.00 0.00 H ATOM 1007 HZ PHE A 68 4.092 -1.146 0.032 1.00 0.00 H ATOM 1008 HE1 PHE A 68 2.628 0.458 -1.148 1.00 0.00 H ATOM 1009 HD1 PHE A 68 2.558 0.482 -3.614 1.00 0.00 H ATOM 1010 H PHE A 68 3.937 -0.634 -7.826 1.00 0.00 H ATOM 1011 N LEU A 69 6.919 -1.156 -6.459 1.00 0.66 N ATOM 1012 CA LEU A 69 8.318 -1.528 -6.280 1.00 0.72 C ATOM 1013 C LEU A 69 9.242 -0.318 -6.370 1.00 0.76 C ATOM 1014 O LEU A 69 10.295 -0.283 -5.741 1.00 0.82 O ATOM 1015 CB LEU A 69 8.719 -2.565 -7.330 1.00 0.75 C ATOM 1016 CG LEU A 69 8.160 -3.976 -7.104 1.00 0.79 C ATOM 1017 CD1 LEU A 69 8.546 -4.894 -8.254 1.00 0.82 C ATOM 1018 CD2 LEU A 69 8.655 -4.540 -5.779 1.00 0.90 C ATOM 1019 HA LEU A 69 8.423 -1.954 -5.282 1.00 0.00 H ATOM 1020 HB2 LEU A 69 8.368 -2.215 -8.301 1.00 0.00 H ATOM 1021 HB3 LEU A 69 9.807 -2.631 -7.340 1.00 0.00 H ATOM 1022 HG LEU A 69 7.072 -3.913 -7.066 1.00 0.00 H ATOM 1023 HD21 LEU A 69 9.744 -4.587 -5.790 1.00 0.00 H ATOM 1024 HD22 LEU A 69 8.326 -3.894 -4.965 1.00 0.00 H ATOM 1025 HD23 LEU A 69 8.248 -5.541 -5.637 1.00 0.00 H ATOM 1026 HD11 LEU A 69 8.141 -4.498 -9.185 1.00 0.00 H ATOM 1027 HD12 LEU A 69 9.632 -4.950 -8.323 1.00 0.00 H ATOM 1028 HD13 LEU A 69 8.140 -5.890 -8.075 1.00 0.00 H ATOM 1029 H LEU A 69 6.383 -1.579 -7.244 1.00 0.00 H ATOM 1030 N THR A 70 8.843 0.674 -7.148 1.00 0.75 N ATOM 1031 CA THR A 70 9.643 1.874 -7.306 1.00 0.82 C ATOM 1032 C THR A 70 9.173 2.975 -6.354 1.00 0.78 C ATOM 1033 O THR A 70 9.978 3.720 -5.793 1.00 0.98 O ATOM 1034 CB THR A 70 9.566 2.381 -8.757 1.00 0.89 C ATOM 1035 OG1 THR A 70 9.396 1.270 -9.653 1.00 0.95 O ATOM 1036 CG2 THR A 70 10.821 3.156 -9.138 1.00 1.02 C ATOM 1037 HA THR A 70 10.676 1.621 -7.066 1.00 0.00 H ATOM 1038 HB THR A 70 8.711 3.053 -8.836 1.00 0.00 H ATOM 1039 HG1 THR A 70 8.559 0.791 -9.428 1.00 0.00 H ATOM 1040 HG23 THR A 70 10.947 3.998 -8.457 1.00 0.00 H ATOM 1041 HG21 THR A 70 11.687 2.498 -9.069 1.00 0.00 H ATOM 1042 HG22 THR A 70 10.723 3.525 -10.159 1.00 0.00 H ATOM 1043 H THR A 70 7.939 0.593 -7.656 1.00 0.00 H ATOM 1044 N MET A 71 7.858 3.052 -6.169 1.00 0.69 N ATOM 1045 CA MET A 71 7.242 4.055 -5.305 1.00 0.66 C ATOM 1046 C MET A 71 7.729 3.947 -3.861 1.00 0.66 C ATOM 1047 O MET A 71 8.145 4.939 -3.266 1.00 0.69 O ATOM 1048 CB MET A 71 5.717 3.911 -5.356 1.00 0.67 C ATOM 1049 CG MET A 71 4.976 4.759 -4.333 1.00 0.68 C ATOM 1050 SD MET A 71 4.975 6.515 -4.742 1.00 0.63 S ATOM 1051 CE MET A 71 4.200 7.194 -3.278 1.00 0.67 C ATOM 1052 HA MET A 71 7.535 5.038 -5.674 1.00 0.00 H ATOM 1053 HB2 MET A 71 5.379 4.202 -6.351 1.00 0.00 H ATOM 1054 HB3 MET A 71 5.466 2.865 -5.180 1.00 0.00 H ATOM 1055 HG2 MET A 71 5.453 4.628 -3.362 1.00 0.00 H ATOM 1056 HG3 MET A 71 3.943 4.414 -4.278 1.00 0.00 H ATOM 1057 HE1 MET A 71 3.202 6.769 -3.166 1.00 0.00 H ATOM 1058 HE2 MET A 71 4.801 6.948 -2.403 1.00 0.00 H ATOM 1059 HE3 MET A 71 4.126 8.277 -3.377 1.00 0.00 H ATOM 1060 H MET A 71 7.244 2.371 -6.659 1.00 0.00 H ATOM 1061 N MET A 72 7.708 2.740 -3.313 1.00 0.71 N ATOM 1062 CA MET A 72 8.120 2.525 -1.928 1.00 0.77 C ATOM 1063 C MET A 72 9.618 2.250 -1.816 1.00 0.84 C ATOM 1064 O MET A 72 10.070 1.601 -0.873 1.00 0.99 O ATOM 1065 CB MET A 72 7.332 1.368 -1.316 1.00 0.84 C ATOM 1066 CG MET A 72 6.221 1.832 -0.380 1.00 0.79 C ATOM 1067 SD MET A 72 4.984 2.848 -1.212 1.00 0.65 S ATOM 1068 CE MET A 72 4.044 3.447 0.189 1.00 0.64 C ATOM 1069 HA MET A 72 7.908 3.442 -1.378 1.00 0.00 H ATOM 1070 HB2 MET A 72 6.886 0.786 -2.123 1.00 0.00 H ATOM 1071 HB3 MET A 72 8.021 0.738 -0.753 1.00 0.00 H ATOM 1072 HG2 MET A 72 6.666 2.415 0.427 1.00 0.00 H ATOM 1073 HG3 MET A 72 5.728 0.954 0.037 1.00 0.00 H ATOM 1074 HE1 MET A 72 3.622 2.600 0.730 1.00 0.00 H ATOM 1075 HE2 MET A 72 4.701 4.012 0.851 1.00 0.00 H ATOM 1076 HE3 MET A 72 3.239 4.092 -0.164 1.00 0.00 H ATOM 1077 H MET A 72 7.391 1.929 -3.881 1.00 0.00 H ATOM 1078 N ALA A 73 10.386 2.745 -2.775 1.00 0.92 N ATOM 1079 CA ALA A 73 11.826 2.546 -2.765 1.00 0.99 C ATOM 1080 C ALA A 73 12.571 3.858 -3.016 1.00 1.02 C ATOM 1081 O ALA A 73 13.621 4.115 -2.424 1.00 1.21 O ATOM 1082 CB ALA A 73 12.222 1.505 -3.804 1.00 1.06 C ATOM 1083 HA ALA A 73 12.108 2.185 -1.776 1.00 0.00 H ATOM 1084 HB1 ALA A 73 11.730 0.560 -3.575 1.00 0.00 H ATOM 1085 HB2 ALA A 73 11.916 1.846 -4.793 1.00 0.00 H ATOM 1086 HB3 ALA A 73 13.303 1.367 -3.784 1.00 0.00 H ATOM 1087 H ALA A 73 9.951 3.286 -3.549 1.00 0.00 H ATOM 1088 N ARG A 74 12.016 4.700 -3.884 1.00 0.99 N ATOM 1089 CA ARG A 74 12.639 5.972 -4.229 1.00 1.04 C ATOM 1090 C ARG A 74 12.309 7.061 -3.205 1.00 0.99 C ATOM 1091 O ARG A 74 11.670 8.064 -3.534 1.00 1.02 O ATOM 1092 CB ARG A 74 12.177 6.415 -5.613 1.00 1.13 C ATOM 1093 CG ARG A 74 13.318 6.748 -6.560 1.00 1.37 C ATOM 1094 CD ARG A 74 14.123 7.950 -6.080 1.00 1.71 C ATOM 1095 NE ARG A 74 13.267 9.094 -5.763 1.00 1.78 N ATOM 1096 CZ ARG A 74 13.115 10.162 -6.550 1.00 2.20 C ATOM 1097 NH1 ARG A 74 13.741 10.225 -7.722 1.00 2.56 N ATOM 1098 NH2 ARG A 74 12.340 11.171 -6.160 1.00 2.56 N ATOM 1099 HA ARG A 74 13.719 5.824 -4.227 1.00 0.00 H ATOM 1100 HB2 ARG A 74 11.588 5.611 -6.053 1.00 0.00 H ATOM 1101 HB3 ARG A 74 11.553 7.302 -5.500 1.00 0.00 H ATOM 1102 HG2 ARG A 74 13.981 5.885 -6.631 1.00 0.00 H ATOM 1103 HG3 ARG A 74 12.906 6.970 -7.544 1.00 0.00 H ATOM 1104 HD2 ARG A 74 14.823 8.241 -6.864 1.00 0.00 H ATOM 1105 HD3 ARG A 74 14.678 7.667 -5.186 1.00 0.00 H ATOM 1106 HE ARG A 74 12.742 9.074 -4.865 1.00 0.00 H ATOM 1107 HH12 ARG A 74 13.620 11.059 -8.332 1.00 0.00 H ATOM 1108 HH11 ARG A 74 14.351 9.441 -8.028 1.00 0.00 H ATOM 1109 HH22 ARG A 74 12.222 12.003 -6.773 1.00 0.00 H ATOM 1110 HH21 ARG A 74 11.853 11.128 -5.242 1.00 0.00 H ATOM 1111 H ARG A 74 11.112 4.443 -4.329 1.00 0.00 H ATOM 1112 N LYS A 75 12.758 6.863 -1.972 1.00 1.13 N ATOM 1113 CA LYS A 75 12.521 7.827 -0.902 1.00 1.20 C ATOM 1114 C LYS A 75 13.405 9.058 -1.090 1.00 1.26 C ATOM 1115 O LYS A 75 14.575 8.939 -1.456 1.00 1.34 O ATOM 1116 CB LYS A 75 12.797 7.191 0.468 1.00 1.29 C ATOM 1117 CG LYS A 75 14.198 6.612 0.599 1.00 1.61 C ATOM 1118 CD LYS A 75 14.638 6.494 2.051 1.00 1.88 C ATOM 1119 CE LYS A 75 14.840 7.859 2.696 1.00 2.51 C ATOM 1120 NZ LYS A 75 15.945 8.626 2.055 1.00 3.25 N ATOM 1121 HA LYS A 75 11.475 8.132 -0.943 1.00 0.00 H ATOM 1122 HB2 LYS A 75 12.666 7.954 1.235 1.00 0.00 H ATOM 1123 HB3 LYS A 75 12.076 6.389 0.628 1.00 0.00 H ATOM 1124 HG2 LYS A 75 14.212 5.621 0.146 1.00 0.00 H ATOM 1125 HG3 LYS A 75 14.897 7.261 0.072 1.00 0.00 H ATOM 1126 HD2 LYS A 75 13.875 5.950 2.608 1.00 0.00 H ATOM 1127 HD3 LYS A 75 15.577 5.942 2.091 1.00 0.00 H ATOM 1128 HE2 LYS A 75 15.076 7.718 3.751 1.00 0.00 H ATOM 1129 HE3 LYS A 75 13.916 8.431 2.605 1.00 0.00 H ATOM 1130 HZ1 LYS A 75 16.833 8.092 2.143 1.00 0.00 H ATOM 1131 HZ2 LYS A 75 15.726 8.773 1.049 1.00 0.00 H ATOM 1132 HZ3 LYS A 75 16.045 9.547 2.527 1.00 0.00 H ATOM 1133 H LYS A 75 13.294 5.997 -1.762 1.00 0.00 H ATOM 1134 N MET A 76 12.837 10.235 -0.853 1.00 1.32 N ATOM 1135 CA MET A 76 13.581 11.489 -0.982 1.00 1.43 C ATOM 1136 C MET A 76 14.623 11.604 0.129 1.00 1.44 C ATOM 1137 O MET A 76 14.599 10.827 1.084 1.00 1.49 O ATOM 1138 CB MET A 76 12.630 12.692 -0.933 1.00 1.57 C ATOM 1139 CG MET A 76 12.266 13.242 -2.300 1.00 1.80 C ATOM 1140 SD MET A 76 11.250 12.104 -3.267 1.00 2.45 S ATOM 1141 CE MET A 76 9.741 12.108 -2.300 1.00 2.59 C ATOM 1142 HA MET A 76 14.089 11.486 -1.947 1.00 0.00 H ATOM 1143 HB2 MET A 76 11.713 12.385 -0.431 1.00 0.00 H ATOM 1144 HB3 MET A 76 13.109 13.486 -0.359 1.00 0.00 H ATOM 1145 HG2 MET A 76 13.185 13.442 -2.851 1.00 0.00 H ATOM 1146 HG3 MET A 76 11.715 14.173 -2.165 1.00 0.00 H ATOM 1147 HE1 MET A 76 9.956 11.755 -1.291 1.00 0.00 H ATOM 1148 HE2 MET A 76 9.343 13.122 -2.255 1.00 0.00 H ATOM 1149 HE3 MET A 76 9.009 11.449 -2.768 1.00 0.00 H ATOM 1150 H MET A 76 11.837 10.266 -0.568 1.00 0.00 H ATOM 1151 N LYS A 77 15.523 12.571 0.014 1.00 1.50 N ATOM 1152 CA LYS A 77 16.562 12.763 1.019 1.00 1.56 C ATOM 1153 C LYS A 77 16.038 13.596 2.177 1.00 1.66 C ATOM 1154 O LYS A 77 16.633 13.633 3.253 1.00 2.06 O ATOM 1155 CB LYS A 77 17.794 13.433 0.405 1.00 1.64 C ATOM 1156 CG LYS A 77 18.530 12.574 -0.605 1.00 1.64 C ATOM 1157 CD LYS A 77 19.756 13.298 -1.137 1.00 1.91 C ATOM 1158 CE LYS A 77 20.469 12.493 -2.210 1.00 2.08 C ATOM 1159 NZ LYS A 77 21.524 13.289 -2.886 1.00 2.45 N ATOM 1160 HA LYS A 77 16.852 11.782 1.396 1.00 0.00 H ATOM 1161 HB2 LYS A 77 17.473 14.348 -0.093 1.00 0.00 H ATOM 1162 HB3 LYS A 77 18.485 13.682 1.210 1.00 0.00 H ATOM 1163 HG2 LYS A 77 18.842 11.646 -0.126 1.00 0.00 H ATOM 1164 HG3 LYS A 77 17.861 12.345 -1.435 1.00 0.00 H ATOM 1165 HD2 LYS A 77 19.445 14.253 -1.561 1.00 0.00 H ATOM 1166 HD3 LYS A 77 20.446 13.475 -0.312 1.00 0.00 H ATOM 1167 HE2 LYS A 77 19.739 12.170 -2.953 1.00 0.00 H ATOM 1168 HE3 LYS A 77 20.927 11.618 -1.749 1.00 0.00 H ATOM 1169 HZ1 LYS A 77 21.094 14.123 -3.334 1.00 0.00 H ATOM 1170 HZ2 LYS A 77 22.228 13.596 -2.185 1.00 0.00 H ATOM 1171 HZ3 LYS A 77 21.987 12.704 -3.611 1.00 0.00 H ATOM 1172 H LYS A 77 15.487 13.205 -0.809 1.00 0.00 H ATOM 1173 N ASP A 78 14.926 14.271 1.950 1.00 1.54 N ATOM 1174 CA ASP A 78 14.322 15.095 2.975 1.00 1.63 C ATOM 1175 C ASP A 78 13.113 14.381 3.555 1.00 1.72 C ATOM 1176 O ASP A 78 12.353 13.736 2.831 1.00 1.77 O ATOM 1177 CB ASP A 78 13.927 16.456 2.401 1.00 1.67 C ATOM 1178 CG ASP A 78 15.135 17.288 2.005 1.00 1.81 C ATOM 1179 OD1 ASP A 78 15.889 17.717 2.905 1.00 2.35 O ATOM 1180 OD2 ASP A 78 15.343 17.512 0.789 1.00 1.95 O ATOM 1181 HA ASP A 78 15.046 15.265 3.772 1.00 0.00 H ATOM 1182 HB2 ASP A 78 13.306 16.298 1.519 1.00 0.00 H ATOM 1183 HB3 ASP A 78 13.357 17.002 3.153 1.00 0.00 H ATOM 1184 H ASP A 78 14.475 14.209 1.015 1.00 0.00 H ATOM 1185 N THR A 79 12.959 14.476 4.862 1.00 1.95 N ATOM 1186 CA THR A 79 11.852 13.834 5.545 1.00 2.15 C ATOM 1187 C THR A 79 10.870 14.873 6.076 1.00 2.00 C ATOM 1188 O THR A 79 11.275 15.902 6.625 1.00 2.13 O ATOM 1189 CB THR A 79 12.365 12.957 6.709 1.00 2.65 C ATOM 1190 OG1 THR A 79 13.436 12.121 6.250 1.00 2.87 O ATOM 1191 CG2 THR A 79 11.256 12.087 7.284 1.00 3.14 C ATOM 1192 HA THR A 79 11.337 13.199 4.825 1.00 0.00 H ATOM 1193 HB THR A 79 12.720 13.621 7.497 1.00 0.00 H ATOM 1194 HG1 THR A 79 13.761 11.561 6.999 1.00 0.00 H ATOM 1195 HG23 THR A 79 10.442 12.722 7.633 1.00 0.00 H ATOM 1196 HG21 THR A 79 10.887 11.413 6.511 1.00 0.00 H ATOM 1197 HG22 THR A 79 11.648 11.505 8.118 1.00 0.00 H ATOM 1198 H THR A 79 13.648 15.024 5.416 1.00 0.00 H ATOM 1199 N ASP A 80 9.584 14.609 5.900 1.00 2.01 N ATOM 1200 CA ASP A 80 8.546 15.524 6.360 1.00 2.07 C ATOM 1201 C ASP A 80 8.078 15.135 7.763 1.00 2.26 C ATOM 1202 O ASP A 80 8.595 14.132 8.311 1.00 2.49 O ATOM 1203 CB ASP A 80 7.355 15.539 5.383 1.00 2.36 C ATOM 1204 CG ASP A 80 6.458 14.328 5.529 1.00 2.79 C ATOM 1205 OD1 ASP A 80 6.954 13.197 5.348 1.00 2.99 O ATOM 1206 OD2 ASP A 80 5.253 14.507 5.817 1.00 3.21 O ATOM 1207 HA ASP A 80 8.969 16.528 6.397 1.00 0.00 H ATOM 1208 OXT ASP A 80 7.219 15.843 8.325 1.00 2.37 O ATOM 1209 HB2 ASP A 80 6.763 16.435 5.569 1.00 0.00 H ATOM 1210 HB3 ASP A 80 7.741 15.565 4.364 1.00 0.00 H ATOM 1211 H ASP A 80 9.308 13.728 5.422 1.00 0.00 H TER 1212 ASP A 80 HETATM 1213 CA CA A 1 -8.696 -2.332 -4.036 1.00 0.45 CA HETATM 1214 CA CA A 2 -0.044 4.164 -11.790 1.00 0.54 CA HETATM 1215 N ARG A 3 3.602 15.596 0.423 1.00 0.24 N HETATM 1216 CA ARG A 3 3.636 14.900 -0.879 1.00 0.07 C HETATM 1217 C ARG A 3 3.066 13.493 -0.741 1.00 0.23 C HETATM 1218 O ARG A 3 3.137 12.891 0.328 1.00 -0.39 O HETATM 1219 N ARG A 3 2.496 12.972 -1.826 1.00 -0.26 N HETATM 1220 CA ARG A 3 1.923 11.633 -1.830 1.00 0.13 C HETATM 1221 C ARG A 3 2.971 10.603 -1.499 1.00 0.20 C HETATM 1222 O ARG A 3 2.674 9.580 -0.890 1.00 -0.39 O HETATM 1223 N ARG A 3 4.203 10.872 -1.877 1.00 -0.26 N HETATM 1224 CA ARG A 3 5.286 9.945 -1.600 1.00 0.13 C HETATM 1225 C ARG A 3 5.587 9.873 -0.119 1.00 0.20 C HETATM 1226 O ARG A 3 6.404 9.074 0.290 1.00 -0.39 O HETATM 1227 N ARG A 3 5.071 10.818 0.646 1.00 -0.26 N HETATM 1228 CA ARG A 3 5.198 10.803 2.102 1.00 0.15 C HETATM 1229 C ARG A 3 3.878 10.335 2.720 1.00 0.21 C HETATM 1230 O ARG A 3 3.844 9.598 3.703 1.00 -0.39 O HETATM 1231 N ARG A 3 2.761 10.784 2.128 1.00 -0.26 N HETATM 1232 CA ARG A 3 1.434 10.420 2.619 1.00 0.13 C HETATM 1233 C ARG A 3 1.099 8.975 2.277 1.00 0.20 C HETATM 1234 O ARG A 3 0.093 8.448 2.734 1.00 -0.39 O HETATM 1235 N ARG A 3 1.923 8.364 1.439 1.00 -0.26 N HETATM 1236 CA ARG A 3 1.774 6.953 1.093 1.00 0.14 C HETATM 1237 C ARG A 3 2.535 6.129 2.145 1.00 0.21 C HETATM 1238 O ARG A 3 1.993 5.183 2.710 1.00 -0.39 O HETATM 1239 N ARG A 3 3.830 6.448 2.387 1.00 -0.25 N HETATM 1240 CA ARG A 3 4.637 5.818 3.445 1.00 0.13 C HETATM 1241 C ARG A 3 3.955 5.847 4.808 1.00 0.20 C HETATM 1242 O ARG A 3 4.117 4.922 5.603 1.00 -0.39 O HETATM 1243 N ARG A 3 3.198 6.907 5.076 1.00 -0.26 N HETATM 1244 CA ARG A 3 2.495 7.031 6.348 1.00 0.15 C HETATM 1245 C ARG A 3 1.542 5.833 6.571 1.00 0.21 C HETATM 1246 O ARG A 3 1.696 5.119 7.563 1.00 -0.39 O HETATM 1247 N ARG A 3 0.535 5.587 5.691 1.00 -0.25 N HETATM 1248 CA ARG A 3 -0.346 4.413 5.820 1.00 0.13 C HETATM 1249 C ARG A 3 0.446 3.109 5.860 1.00 0.20 C HETATM 1250 O ARG A 3 0.062 2.158 6.540 1.00 -0.39 O HETATM 1251 N ARG A 3 1.552 3.065 5.124 1.00 -0.26 N HETATM 1252 CA ARG A 3 2.401 1.881 5.106 1.00 0.13 C HETATM 1253 C ARG A 3 3.016 1.667 6.485 1.00 0.20 C HETATM 1254 O ARG A 3 3.224 0.536 6.921 1.00 -0.39 O HETATM 1255 N ARG A 3 3.294 2.774 7.167 1.00 -0.26 N HETATM 1256 CA ARG A 3 3.843 2.738 8.516 1.00 0.13 C HETATM 1257 C ARG A 3 2.779 2.181 9.456 1.00 0.20 C HETATM 1258 O ARG A 3 3.077 1.483 10.430 1.00 -0.39 O HETATM 1259 N ARG A 3 1.529 2.484 9.134 1.00 -0.26 N HETATM 1260 CA ARG A 3 0.397 1.980 9.897 1.00 0.13 C HETATM 1261 C ARG A 3 0.277 0.480 9.644 1.00 0.20 C HETATM 1262 O ARG A 3 -0.025 -0.302 10.549 1.00 -0.39 O HETATM 1263 N ARG A 3 0.554 0.092 8.403 1.00 -0.26 N HETATM 1264 CA ARG A 3 0.528 -1.307 8.002 1.00 0.13 C HETATM 1265 C ARG A 3 1.596 -2.071 8.774 1.00 0.20 C HETATM 1266 O ARG A 3 1.364 -3.186 9.234 1.00 -0.39 O HETATM 1267 N ARG A 3 2.772 -1.461 8.904 1.00 -0.26 N HETATM 1268 CA ARG A 3 3.877 -2.066 9.638 1.00 0.13 C HETATM 1269 C ARG A 3 3.464 -2.269 11.091 1.00 0.20 C HETATM 1270 O ARG A 3 3.768 -3.294 11.696 1.00 -0.39 O HETATM 1271 N ARG A 3 2.760 -1.284 11.632 1.00 -0.26 N HETATM 1272 CA ARG A 3 2.283 -1.348 13.004 1.00 0.15 C HETATM 1273 C ARG A 3 1.275 -2.487 13.155 1.00 0.21 C HETATM 1274 O ARG A 3 1.281 -3.206 14.155 1.00 -0.39 O HETATM 1275 N ARG A 3 0.429 -2.656 12.145 1.00 -0.26 N HETATM 1276 CA ARG A 3 -0.571 -3.719 12.152 1.00 0.13 C HETATM 1277 C ARG A 3 0.113 -5.077 12.005 1.00 0.20 C HETATM 1278 O ARG A 3 -0.327 -6.073 12.576 1.00 -0.39 O HETATM 1279 N ARG A 3 1.193 -5.104 11.237 1.00 -0.26 N HETATM 1280 CA ARG A 3 1.956 -6.329 11.018 1.00 0.13 C HETATM 1281 C ARG A 3 2.610 -6.764 12.329 1.00 0.20 C HETATM 1282 O ARG A 3 2.854 -7.949 12.570 1.00 -0.39 O HETATM 1283 N ARG A 3 2.887 -5.778 13.170 1.00 -0.26 N HETATM 1284 CA ARG A 3 3.487 -6.013 14.474 1.00 0.15 C HETATM 1285 C ARG A 3 2.404 -6.333 15.495 1.00 0.21 C HETATM 1286 O ARG A 3 2.596 -7.160 16.382 1.00 -0.39 O HETATM 1287 N ARG A 3 1.267 -5.674 15.359 1.00 -0.27 N HETATM 1288 CA ARG A 3 0.136 -5.886 16.244 1.00 0.12 C HETATM 1289 C ARG A 3 -0.805 -6.937 15.650 1.00 0.06 C HETATM 1290 O ARG A 3 -0.517 -8.151 15.782 1.00 -0.57 O HETATM 1291 OXT ARG A 3 -1.828 -6.548 15.040 1.00 -0.57 O HETATM 1292 CB ARG A 3 -0.596 -4.567 16.463 1.00 0.08 C HETATM 1293 OG ARG A 3 0.312 -3.525 16.813 1.00 -0.39 O HETATM 1294 H ARG A 3 0.951 -3.408 16.106 1.00 0.21 H HETATM 1295 H ARG A 3 -1.308 -4.696 17.278 1.00 0.06 H HETATM 1296 H ARG A 3 -1.101 -4.292 15.537 1.00 0.06 H HETATM 1297 H ARG A 3 0.492 -6.252 17.207 1.00 0.07 H HETATM 1298 H ARG A 3 1.181 -4.992 14.605 1.00 0.19 H HETATM 1299 CB ARG A 3 4.320 -4.794 14.900 1.00 0.08 C HETATM 1300 CG ARG A 3 4.713 -4.827 16.368 1.00 0.18 C HETATM 1301 OD1 ARG A 3 4.173 -4.076 17.178 1.00 -0.40 O HETATM 1302 ND2 ARG A 3 5.645 -5.708 16.725 1.00 -0.30 N HETATM 1303 H ARG A 3 5.934 -5.777 17.701 1.00 0.18 H HETATM 1304 H ARG A 3 6.070 -6.314 16.023 1.00 0.18 H HETATM 1305 H ARG A 3 3.712 -3.904 14.739 1.00 0.06 H HETATM 1306 H ARG A 3 5.237 -4.796 14.311 1.00 0.06 H HETATM 1307 H ARG A 3 4.157 -6.871 14.415 1.00 0.08 H HETATM 1308 H ARG A 3 2.672 -4.820 12.893 1.00 0.19 H HETATM 1309 CB ARG A 3 3.018 -6.090 9.934 1.00 -0.01 C HETATM 1310 CG ARG A 3 3.186 -7.252 8.966 1.00 -0.04 C HETATM 1311 CD ARG A 3 4.271 -8.212 9.426 1.00 -0.01 C HETATM 1312 CE ARG A 3 4.344 -9.437 8.532 1.00 -0.04 C HETATM 1313 NZ ARG A 3 4.601 -9.095 7.108 1.00 0.22 N HETATM 1314 H ARG A 3 4.640 -9.952 6.556 1.00 0.20 H HETATM 1315 H ARG A 3 3.849 -8.499 6.761 1.00 0.20 H HETATM 1316 H ARG A 3 5.490 -8.600 7.034 1.00 0.20 H HETATM 1317 H ARG A 3 3.382 -9.947 8.585 1.00 0.08 H HETATM 1318 H ARG A 3 5.170 -10.057 8.881 1.00 0.08 H HETATM 1319 H ARG A 3 4.038 -8.537 10.440 1.00 0.03 H HETATM 1320 H ARG A 3 5.230 -7.696 9.384 1.00 0.03 H HETATM 1321 H ARG A 3 3.471 -6.851 7.993 1.00 0.03 H HETATM 1322 H ARG A 3 2.243 -7.797 8.915 1.00 0.03 H HETATM 1323 H ARG A 3 3.973 -5.951 10.441 1.00 0.03 H HETATM 1324 H ARG A 3 2.696 -5.227 9.351 1.00 0.03 H HETATM 1325 H ARG A 3 1.289 -7.122 10.680 1.00 0.08 H HETATM 1326 H ARG A 3 1.500 -4.243 10.785 1.00 0.19 H HETATM 1327 CB ARG A 3 -1.589 -3.517 11.020 1.00 -0.01 C HETATM 1328 CG ARG A 3 -2.582 -4.666 10.870 1.00 -0.04 C HETATM 1329 CD ARG A 3 -3.438 -4.836 12.115 1.00 -0.01 C HETATM 1330 CE ARG A 3 -3.982 -6.253 12.236 1.00 -0.04 C HETATM 1331 NZ ARG A 3 -2.934 -7.220 12.682 1.00 0.22 N HETATM 1332 H ARG A 3 -3.341 -8.153 12.749 1.00 0.20 H HETATM 1333 H ARG A 3 -2.171 -7.228 12.005 1.00 0.20 H HETATM 1334 H ARG A 3 -2.578 -6.936 13.595 1.00 0.20 H HETATM 1335 H ARG A 3 -4.338 -6.566 11.255 1.00 0.08 H HETATM 1336 H ARG A 3 -4.780 -6.249 12.979 1.00 0.08 H HETATM 1337 H ARG A 3 -4.282 -4.149 12.048 1.00 0.03 H HETATM 1338 H ARG A 3 -2.819 -4.630 12.988 1.00 0.03 H HETATM 1339 H ARG A 3 -2.020 -5.587 10.711 1.00 0.03 H HETATM 1340 H ARG A 3 -3.239 -4.444 10.029 1.00 0.03 H HETATM 1341 H ARG A 3 -1.028 -3.449 10.088 1.00 0.03 H HETATM 1342 H ARG A 3 -2.163 -2.621 11.256 1.00 0.03 H HETATM 1343 H ARG A 3 -1.104 -3.686 13.102 1.00 0.08 H HETATM 1344 H ARG A 3 0.479 -2.027 11.344 1.00 0.19 H HETATM 1345 CB ARG A 3 1.662 -0.003 13.401 1.00 0.08 C HETATM 1346 OG ARG A 3 2.622 1.041 13.302 1.00 -0.39 O HETATM 1347 H ARG A 3 2.938 1.099 12.397 1.00 0.21 H HETATM 1348 H ARG A 3 1.314 -0.066 14.432 1.00 0.06 H HETATM 1349 H ARG A 3 0.833 0.215 12.728 1.00 0.06 H HETATM 1350 H ARG A 3 3.121 -1.548 13.671 1.00 0.08 H HETATM 1351 H ARG A 3 2.547 -0.459 11.071 1.00 0.19 H HETATM 1352 CB ARG A 3 5.124 -1.176 9.564 1.00 -0.01 C HETATM 1353 CG ARG A 3 6.433 -1.939 9.358 1.00 -0.02 C HETATM 1354 CD ARG A 3 6.732 -2.897 10.508 1.00 0.06 C HETATM 1355 NE ARG A 3 8.169 -3.128 10.684 1.00 -0.27 N HETATM 1356 CZ ARG A 3 8.875 -4.036 10.010 1.00 0.29 C HETATM 1357 NH1 ARG A 3 8.290 -4.800 9.095 1.00 -0.28 N HETATM 1358 H ARG A 3 7.294 -4.694 8.904 1.00 0.26 H HETATM 1359 H ARG A 3 8.837 -5.492 8.584 1.00 0.26 H HETATM 1360 NH2 ARG A 3 10.174 -4.176 10.248 1.00 -0.28 N HETATM 1361 H ARG A 3 10.631 -3.589 10.946 1.00 0.26 H HETATM 1362 H ARG A 3 10.715 -4.870 9.733 1.00 0.26 H HETATM 1363 H ARG A 3 8.662 -2.555 11.369 1.00 0.26 H HETATM 1364 H ARG A 3 6.262 -3.854 10.281 1.00 0.07 H HETATM 1365 H ARG A 3 6.347 -2.453 11.426 1.00 0.07 H HETATM 1366 H ARG A 3 7.243 -1.212 9.304 1.00 0.03 H HETATM 1367 H ARG A 3 6.342 -2.526 8.444 1.00 0.03 H HETATM 1368 H ARG A 3 5.203 -0.656 10.519 1.00 0.03 H HETATM 1369 H ARG A 3 4.998 -0.519 8.703 1.00 0.03 H HETATM 1370 H ARG A 3 4.118 -3.030 9.189 1.00 0.08 H HETATM 1371 H ARG A 3 2.904 -0.544 8.478 1.00 0.19 H HETATM 1372 CB ARG A 3 0.770 -1.449 6.488 1.00 -0.01 C HETATM 1373 CG ARG A 3 0.233 -2.751 5.898 1.00 -0.04 C HETATM 1374 CD ARG A 3 1.336 -3.595 5.256 1.00 -0.01 C HETATM 1375 CE ARG A 3 2.414 -3.986 6.247 1.00 -0.04 C HETATM 1376 NZ ARG A 3 3.784 -3.686 5.739 1.00 0.22 N HETATM 1377 H ARG A 3 4.473 -3.965 6.437 1.00 0.20 H HETATM 1378 H ARG A 3 3.946 -4.203 4.875 1.00 0.20 H HETATM 1379 H ARG A 3 3.867 -2.686 5.559 1.00 0.20 H HETATM 1380 H ARG A 3 2.344 -5.060 6.417 1.00 0.08 H HETATM 1381 H ARG A 3 2.258 -3.412 7.160 1.00 0.08 H HETATM 1382 H ARG A 3 1.800 -3.001 4.469 1.00 0.03 H HETATM 1383 H ARG A 3 0.882 -4.509 4.873 1.00 0.03 H HETATM 1384 H ARG A 3 -0.493 -2.498 5.125 1.00 0.03 H HETATM 1385 H ARG A 3 -0.210 -3.332 6.707 1.00 0.03 H HETATM 1386 H ARG A 3 1.848 -1.440 6.329 1.00 0.03 H HETATM 1387 H ARG A 3 0.246 -0.629 5.997 1.00 0.03 H HETATM 1388 H ARG A 3 -0.456 -1.719 8.228 1.00 0.08 H HETATM 1389 H ARG A 3 0.793 0.799 7.708 1.00 0.19 H HETATM 1390 CB ARG A 3 -0.925 2.699 9.503 1.00 -0.00 C HETATM 1391 CG1 ARG A 3 -0.807 4.218 9.729 1.00 -0.05 C HETATM 1392 CD1 ARG A 3 -0.439 4.604 11.150 1.00 -0.06 C HETATM 1393 H ARG A 3 -1.202 4.235 11.835 1.00 0.02 H HETATM 1394 H ARG A 3 0.525 4.164 11.407 1.00 0.02 H HETATM 1395 H ARG A 3 -0.376 5.690 11.226 1.00 0.02 H HETATM 1396 H ARG A 3 -1.784 4.653 9.518 1.00 0.03 H HETATM 1397 H ARG A 3 -0.011 4.581 9.079 1.00 0.03 H HETATM 1398 CG2 ARG A 3 -2.106 2.135 10.290 1.00 -0.06 C HETATM 1399 H ARG A 3 -2.208 1.071 10.077 1.00 0.02 H HETATM 1400 H ARG A 3 -1.932 2.279 11.356 1.00 0.02 H HETATM 1401 H ARG A 3 -3.018 2.654 9.996 1.00 0.02 H HETATM 1402 H ARG A 3 -1.102 2.520 8.443 1.00 0.03 H HETATM 1403 H ARG A 3 0.566 2.176 10.956 1.00 0.08 H HETATM 1404 H ARG A 3 1.356 3.087 8.329 1.00 0.19 H HETATM 1405 CB ARG A 3 4.292 4.150 8.927 1.00 -0.00 C HETATM 1406 CG ARG A 3 4.117 4.481 10.400 1.00 -0.00 C HETATM 1407 SD ARG A 3 4.422 6.226 10.748 1.00 -0.16 S HETATM 1408 CE ARG A 3 3.871 6.339 12.449 1.00 -0.02 C HETATM 1409 H ARG A 3 2.819 6.061 12.508 1.00 0.03 H HETATM 1410 H ARG A 3 4.462 5.663 13.067 1.00 0.03 H HETATM 1411 H ARG A 3 3.998 7.362 12.804 1.00 0.03 H HETATM 1412 H ARG A 3 4.837 3.891 10.968 1.00 0.04 H HETATM 1413 H ARG A 3 3.088 4.255 10.678 1.00 0.04 H HETATM 1414 H ARG A 3 3.668 4.851 8.372 1.00 0.03 H HETATM 1415 H ARG A 3 5.360 4.213 8.717 1.00 0.03 H HETATM 1416 H ARG A 3 4.719 2.091 8.563 1.00 0.08 H HETATM 1417 H ARG A 3 3.117 3.679 6.731 1.00 0.19 H HETATM 1418 CB ARG A 3 3.494 2.002 4.051 1.00 -0.01 C HETATM 1419 CG ARG A 3 4.106 0.666 3.617 1.00 -0.04 C HETATM 1420 CD1 ARG A 3 3.180 -0.051 2.641 1.00 -0.06 C HETATM 1421 H ARG A 3 2.221 -0.239 3.124 1.00 0.02 H HETATM 1422 H ARG A 3 3.029 0.573 1.760 1.00 0.02 H HETATM 1423 H ARG A 3 3.631 -0.998 2.344 1.00 0.02 H HETATM 1424 CD2 ARG A 3 5.476 0.886 3.001 1.00 -0.06 C HETATM 1425 H ARG A 3 5.381 1.533 2.129 1.00 0.02 H HETATM 1426 H ARG A 3 6.131 1.356 3.734 1.00 0.02 H HETATM 1427 H ARG A 3 5.895 -0.074 2.699 1.00 0.02 H HETATM 1428 H ARG A 3 4.226 0.035 4.498 1.00 0.03 H HETATM 1429 H ARG A 3 4.297 2.594 4.489 1.00 0.03 H HETATM 1430 H ARG A 3 3.037 2.447 3.167 1.00 0.03 H HETATM 1431 H ARG A 3 1.785 1.020 4.849 1.00 0.08 H HETATM 1432 H ARG A 3 1.811 3.875 4.561 1.00 0.19 H HETATM 1433 CB ARG A 3 -1.194 4.478 4.551 1.00 -0.01 C HETATM 1434 CG ARG A 3 -1.238 5.919 4.209 1.00 -0.03 C HETATM 1435 CD ARG A 3 0.118 6.443 4.578 1.00 0.04 C HETATM 1436 H ARG A 3 0.818 6.406 3.743 1.00 0.05 H HETATM 1437 H ARG A 3 0.094 7.497 4.853 1.00 0.05 H HETATM 1438 H ARG A 3 -2.033 6.439 4.744 1.00 0.03 H HETATM 1439 H ARG A 3 -1.461 6.079 3.154 1.00 0.03 H HETATM 1440 H ARG A 3 -2.190 4.063 4.703 1.00 0.03 H HETATM 1441 H ARG A 3 -0.770 3.879 3.745 1.00 0.03 H HETATM 1442 H ARG A 3 -0.927 4.429 6.742 1.00 0.08 H HETATM 1443 CB ARG A 3 1.784 8.392 6.452 1.00 0.08 C HETATM 1444 OG ARG A 3 0.875 8.427 7.544 1.00 -0.39 O HETATM 1445 H ARG A 3 0.451 9.288 7.579 1.00 0.21 H HETATM 1446 H ARG A 3 1.223 8.558 5.532 1.00 0.06 H HETATM 1447 H ARG A 3 2.538 9.163 6.608 1.00 0.06 H HETATM 1448 H ARG A 3 3.225 7.000 7.157 1.00 0.08 H HETATM 1449 H ARG A 3 3.107 7.647 4.380 1.00 0.19 H HETATM 1450 CB ARG A 3 5.890 6.696 3.453 1.00 -0.01 C HETATM 1451 CG ARG A 3 6.056 6.997 2.038 1.00 -0.03 C HETATM 1452 CD ARG A 3 4.666 7.323 1.568 1.00 0.04 C HETATM 1453 H ARG A 3 4.416 8.377 1.685 1.00 0.05 H HETATM 1454 H ARG A 3 4.531 7.158 0.499 1.00 0.05 H HETATM 1455 H ARG A 3 6.493 6.164 1.488 1.00 0.03 H HETATM 1456 H ARG A 3 6.752 7.819 1.870 1.00 0.03 H HETATM 1457 H ARG A 3 6.758 6.207 3.896 1.00 0.03 H HETATM 1458 H ARG A 3 5.791 7.585 4.075 1.00 0.03 H HETATM 1459 H ARG A 3 4.820 4.760 3.258 1.00 0.08 H HETATM 1460 CB ARG A 3 2.262 6.671 -0.341 1.00 0.00 C HETATM 1461 CG ARG A 3 1.164 6.703 -1.367 1.00 -0.04 C HETATM 1462 CD1 ARG A 3 0.158 7.626 -1.485 1.00 0.02 C HETATM 1463 NE1 ARG A 3 -0.632 7.331 -2.557 1.00 -0.29 N HETATM 1464 CE2 ARG A 3 -0.148 6.215 -3.165 1.00 0.06 C HETATM 1465 CD2 ARG A 3 0.979 5.787 -2.442 1.00 -0.02 C HETATM 1466 CE3 ARG A 3 1.660 4.646 -2.866 1.00 -0.07 C HETATM 1467 CZ3 ARG A 3 1.204 3.986 -3.985 1.00 -0.08 C HETATM 1468 CH2 ARG A 3 0.084 4.444 -4.687 1.00 -0.08 C HETATM 1469 CZ2 ARG A 3 -0.603 5.552 -4.289 1.00 -0.04 C HETATM 1470 H ARG A 3 -1.478 5.902 -4.837 1.00 0.05 H HETATM 1471 H ARG A 3 -0.247 3.902 -5.573 1.00 0.05 H HETATM 1472 H ARG A 3 1.724 3.092 -4.330 1.00 0.05 H HETATM 1473 H ARG A 3 2.534 4.285 -2.324 1.00 0.05 H HETATM 1474 H ARG A 3 -1.452 7.861 -2.854 1.00 0.22 H HETATM 1475 H ARG A 3 0.010 8.475 -0.817 1.00 0.08 H HETATM 1476 H ARG A 3 2.689 5.668 -0.350 1.00 0.04 H HETATM 1477 H ARG A 3 2.977 7.451 -0.603 1.00 0.04 H HETATM 1478 H ARG A 3 0.722 6.668 1.104 1.00 0.08 H HETATM 1479 H ARG A 3 2.687 8.896 1.022 1.00 0.19 H HETATM 1480 CB ARG A 3 0.374 11.365 2.055 1.00 -0.01 C HETATM 1481 CG ARG A 3 -0.285 12.295 3.086 1.00 -0.04 C HETATM 1482 CD1 ARG A 3 0.669 13.399 3.501 1.00 -0.06 C HETATM 1483 H ARG A 3 1.562 12.958 3.944 1.00 0.02 H HETATM 1484 H ARG A 3 0.948 13.985 2.625 1.00 0.02 H HETATM 1485 H ARG A 3 0.180 14.044 4.231 1.00 0.02 H HETATM 1486 CD2 ARG A 3 -1.572 12.888 2.531 1.00 -0.06 C HETATM 1487 H ARG A 3 -1.348 13.461 1.631 1.00 0.02 H HETATM 1488 H ARG A 3 -2.266 12.083 2.288 1.00 0.02 H HETATM 1489 H ARG A 3 -2.021 13.543 3.278 1.00 0.02 H HETATM 1490 H ARG A 3 -0.530 11.702 3.967 1.00 0.03 H HETATM 1491 H ARG A 3 -0.419 10.739 1.645 1.00 0.03 H HETATM 1492 H ARG A 3 0.878 12.006 1.331 1.00 0.03 H HETATM 1493 H ARG A 3 1.440 10.515 3.705 1.00 0.08 H HETATM 1494 H ARG A 3 2.840 11.395 1.315 1.00 0.19 H HETATM 1495 CB ARG A 3 5.579 12.189 2.611 1.00 0.08 C HETATM 1496 CG ARG A 3 6.817 12.751 1.937 1.00 0.18 C HETATM 1497 OD1 ARG A 3 6.865 12.878 0.712 1.00 -0.40 O HETATM 1498 ND2 ARG A 3 7.810 13.121 2.726 1.00 -0.30 N HETATM 1499 H ARG A 3 8.655 13.528 2.325 1.00 0.18 H HETATM 1500 H ARG A 3 7.732 12.999 3.736 1.00 0.18 H HETATM 1501 H ARG A 3 5.792 12.104 3.677 1.00 0.06 H HETATM 1502 H ARG A 3 4.749 12.861 2.393 1.00 0.06 H HETATM 1503 H ARG A 3 5.987 10.111 2.394 1.00 0.08 H HETATM 1504 H ARG A 3 4.566 11.586 0.205 1.00 0.19 H HETATM 1505 CB ARG A 3 6.528 10.290 -2.387 1.00 -0.02 C HETATM 1506 H ARG A 3 6.304 10.250 -3.453 1.00 0.03 H HETATM 1507 H ARG A 3 6.858 11.294 -2.121 1.00 0.03 H HETATM 1508 H ARG A 3 7.316 9.574 -2.153 1.00 0.03 H HETATM 1509 H ARG A 3 4.954 8.958 -1.922 1.00 0.08 H HETATM 1510 H ARG A 3 4.399 11.743 -2.371 1.00 0.19 H HETATM 1511 CB ARG A 3 1.302 11.320 -3.176 1.00 -0.02 C HETATM 1512 H ARG A 3 0.513 12.042 -3.388 1.00 0.03 H HETATM 1513 H ARG A 3 2.067 11.379 -3.950 1.00 0.03 H HETATM 1514 H ARG A 3 0.880 10.315 -3.155 1.00 0.03 H HETATM 1515 H ARG A 3 1.145 11.600 -1.067 1.00 0.08 H HETATM 1516 H ARG A 3 2.460 13.528 -2.680 1.00 0.19 H HETATM 1517 CB ARG A 3 5.068 14.824 -1.412 1.00 0.01 C HETATM 1518 CG ARG A 3 5.158 14.545 -2.911 1.00 -0.01 C HETATM 1519 CD ARG A 3 5.694 15.749 -3.677 1.00 0.06 C HETATM 1520 NE ARG A 3 4.615 16.571 -4.214 1.00 -0.27 N HETATM 1521 CZ ARG A 3 4.509 16.918 -5.498 1.00 0.29 C HETATM 1522 NH1 ARG A 3 5.462 16.596 -6.371 1.00 -0.28 N HETATM 1523 H ARG A 3 6.284 16.078 -6.061 1.00 0.26 H HETATM 1524 H ARG A 3 5.370 16.867 -7.350 1.00 0.26 H HETATM 1525 NH2 ARG A 3 3.443 17.590 -5.908 1.00 -0.28 N HETATM 1526 H ARG A 3 2.710 17.839 -5.244 1.00 0.26 H HETATM 1527 H ARG A 3 3.355 17.859 -6.888 1.00 0.26 H HETATM 1528 H ARG A 3 3.898 16.901 -3.568 1.00 0.26 H HETATM 1529 H ARG A 3 6.296 15.386 -4.510 1.00 0.07 H HETATM 1530 H ARG A 3 6.281 16.359 -2.991 1.00 0.07 H HETATM 1531 H ARG A 3 4.157 14.321 -3.280 1.00 0.03 H HETATM 1532 H ARG A 3 5.840 13.709 -3.064 1.00 0.03 H HETATM 1533 H ARG A 3 5.561 13.998 -0.899 1.00 0.03 H HETATM 1534 H ARG A 3 5.531 15.795 -1.235 1.00 0.03 H HETATM 1535 H ARG A 3 3.027 15.466 -1.584 1.00 0.11 H HETATM 1536 H ARG A 3 2.640 15.636 0.761 1.00 0.20 H HETATM 1537 H ARG A 3 4.178 15.088 1.094 1.00 0.20 H HETATM 1538 H ARG A 3 3.964 16.543 0.310 1.00 0.20 H CONECT 1 2 10 11 12 CONECT 10 1 CONECT 11 1 CONECT 12 1 CONECT 309 308 1213 CONECT 344 342 1213 CONECT 363 361 1213 CONECT 466 464 1213 CONECT 841 840 1214 CONECT 863 862 1214 CONECT 864 862 1214 CONECT 900 899 1214 CONECT 1213 309 344 363 466 CONECT 1214 841 863 864 900 CONECT 1215 1216 1536 1537 1538 CONECT 1216 1215 1217 1517 1535 CONECT 1217 1216 1218 1219 CONECT 1218 1217 CONECT 1219 1217 1220 1516 CONECT 1220 1219 1221 1511 1515 CONECT 1221 1220 1222 1223 CONECT 1222 1221 CONECT 1223 1221 1224 1510 CONECT 1224 1223 1225 1505 1509 CONECT 1225 1224 1226 1227 CONECT 1226 1225 CONECT 1227 1225 1228 1504 CONECT 1228 1227 1229 1495 1503 CONECT 1229 1228 1230 1231 CONECT 1230 1229 CONECT 1231 1229 1232 1494 CONECT 1232 1231 1233 1480 1493 CONECT 1233 1232 1234 1235 CONECT 1234 1233 CONECT 1235 1233 1236 1479 CONECT 1236 1235 1237 1460 1478 CONECT 1237 1236 1238 1239 CONECT 1238 1237 CONECT 1239 1237 1240 1452 CONECT 1240 1239 1241 1450 1459 CONECT 1241 1240 1242 1243 CONECT 1242 1241 CONECT 1243 1241 1244 1449 CONECT 1244 1243 1245 1443 1448 CONECT 1245 1244 1246 1247 CONECT 1246 1245 CONECT 1247 1245 1248 1435 CONECT 1248 1247 1249 1433 1442 CONECT 1249 1248 1250 1251 CONECT 1250 1249 CONECT 1251 1249 1252 1432 CONECT 1252 1251 1253 1418 1431 CONECT 1253 1252 1254 1255 CONECT 1254 1253 CONECT 1255 1253 1256 1417 CONECT 1256 1255 1257 1405 1416 CONECT 1257 1256 1258 1259 CONECT 1258 1257 CONECT 1259 1257 1260 1404 CONECT 1260 1259 1261 1390 1403 CONECT 1261 1260 1262 1263 CONECT 1262 1261 CONECT 1263 1261 1264 1389 CONECT 1264 1263 1265 1372 1388 CONECT 1265 1264 1266 1267 CONECT 1266 1265 CONECT 1267 1265 1268 1371 CONECT 1268 1267 1269 1352 1370 CONECT 1269 1268 1270 1271 CONECT 1270 1269 CONECT 1271 1269 1272 1351 CONECT 1272 1271 1273 1345 1350 CONECT 1273 1272 1274 1275 CONECT 1274 1273 CONECT 1275 1273 1276 1344 CONECT 1276 1275 1277 1327 1343 CONECT 1277 1276 1278 1279 CONECT 1278 1277 CONECT 1279 1277 1280 1326 CONECT 1280 1279 1281 1309 1325 CONECT 1281 1280 1282 1283 CONECT 1282 1281 CONECT 1283 1281 1284 1308 CONECT 1284 1283 1285 1299 1307 CONECT 1285 1284 1286 1287 CONECT 1286 1285 CONECT 1287 1285 1288 1298 CONECT 1288 1287 1289 1292 1297 CONECT 1289 1288 1290 1291 CONECT 1290 1289 CONECT 1291 1289 CONECT 1292 1288 1293 1295 1296 CONECT 1293 1292 1294 CONECT 1294 1293 CONECT 1295 1292 CONECT 1296 1292 CONECT 1297 1288 CONECT 1298 1287 CONECT 1299 1284 1300 1305 1306 CONECT 1300 1299 1301 1302 CONECT 1301 1300 CONECT 1302 1300 1303 1304 CONECT 1303 1302 CONECT 1304 1302 CONECT 1305 1299 CONECT 1306 1299 CONECT 1307 1284 CONECT 1308 1283 CONECT 1309 1280 1310 1323 1324 CONECT 1310 1309 1311 1321 1322 CONECT 1311 1310 1312 1319 1320 CONECT 1312 1311 1313 1317 1318 CONECT 1313 1312 1314 1315 1316 CONECT 1314 1313 CONECT 1315 1313 CONECT 1316 1313 CONECT 1317 1312 CONECT 1318 1312 CONECT 1319 1311 CONECT 1320 1311 CONECT 1321 1310 CONECT 1322 1310 CONECT 1323 1309 CONECT 1324 1309 CONECT 1325 1280 CONECT 1326 1279 CONECT 1327 1276 1328 1341 1342 CONECT 1328 1327 1329 1339 1340 CONECT 1329 1328 1330 1337 1338 CONECT 1330 1329 1331 1335 1336 CONECT 1331 1330 1332 1333 1334 CONECT 1332 1331 CONECT 1333 1331 CONECT 1334 1331 CONECT 1335 1330 CONECT 1336 1330 CONECT 1337 1329 CONECT 1338 1329 CONECT 1339 1328 CONECT 1340 1328 CONECT 1341 1327 CONECT 1342 1327 CONECT 1343 1276 CONECT 1344 1275 CONECT 1345 1272 1346 1348 1349 CONECT 1346 1345 1347 CONECT 1347 1346 CONECT 1348 1345 CONECT 1349 1345 CONECT 1350 1272 CONECT 1351 1271 CONECT 1352 1268 1353 1368 1369 CONECT 1353 1352 1354 1366 1367 CONECT 1354 1353 1355 1364 1365 CONECT 1355 1354 1356 1363 CONECT 1356 1355 1357 1360 CONECT 1357 1356 1358 1359 CONECT 1358 1357 CONECT 1359 1357 CONECT 1360 1356 1361 1362 CONECT 1361 1360 CONECT 1362 1360 CONECT 1363 1355 CONECT 1364 1354 CONECT 1365 1354 CONECT 1366 1353 CONECT 1367 1353 CONECT 1368 1352 CONECT 1369 1352 CONECT 1370 1268 CONECT 1371 1267 CONECT 1372 1264 1373 1386 1387 CONECT 1373 1372 1374 1384 1385 CONECT 1374 1373 1375 1382 1383 CONECT 1375 1374 1376 1380 1381 CONECT 1376 1375 1377 1378 1379 CONECT 1377 1376 CONECT 1378 1376 CONECT 1379 1376 CONECT 1380 1375 CONECT 1381 1375 CONECT 1382 1374 CONECT 1383 1374 CONECT 1384 1373 CONECT 1385 1373 CONECT 1386 1372 CONECT 1387 1372 CONECT 1388 1264 CONECT 1389 1263 CONECT 1390 1260 1391 1398 1402 CONECT 1391 1390 1392 1396 1397 CONECT 1392 1391 1393 1394 1395 CONECT 1393 1392 CONECT 1394 1392 CONECT 1395 1392 CONECT 1396 1391 CONECT 1397 1391 CONECT 1398 1390 1399 1400 1401 CONECT 1399 1398 CONECT 1400 1398 CONECT 1401 1398 CONECT 1402 1390 CONECT 1403 1260 CONECT 1404 1259 CONECT 1405 1256 1406 1414 1415 CONECT 1406 1405 1407 1412 1413 CONECT 1407 1406 1408 CONECT 1408 1407 1409 1410 1411 CONECT 1409 1408 CONECT 1410 1408 CONECT 1411 1408 CONECT 1412 1406 CONECT 1413 1406 CONECT 1414 1405 CONECT 1415 1405 CONECT 1416 1256 CONECT 1417 1255 CONECT 1418 1252 1419 1429 1430 CONECT 1419 1418 1420 1424 1428 CONECT 1420 1419 1421 1422 1423 CONECT 1421 1420 CONECT 1422 1420 CONECT 1423 1420 CONECT 1424 1419 1425 1426 1427 CONECT 1425 1424 CONECT 1426 1424 CONECT 1427 1424 CONECT 1428 1419 CONECT 1429 1418 CONECT 1430 1418 CONECT 1431 1252 CONECT 1432 1251 CONECT 1433 1248 1434 1440 1441 CONECT 1434 1433 1435 1438 1439 CONECT 1435 1247 1434 1436 1437 CONECT 1436 1435 CONECT 1437 1435 CONECT 1438 1434 CONECT 1439 1434 CONECT 1440 1433 CONECT 1441 1433 CONECT 1442 1248 CONECT 1443 1244 1444 1446 1447 CONECT 1444 1443 1445 CONECT 1445 1444 CONECT 1446 1443 CONECT 1447 1443 CONECT 1448 1244 CONECT 1449 1243 CONECT 1450 1240 1451 1457 1458 CONECT 1451 1450 1452 1455 1456 CONECT 1452 1239 1451 1453 1454 CONECT 1453 1452 CONECT 1454 1452 CONECT 1455 1451 CONECT 1456 1451 CONECT 1457 1450 CONECT 1458 1450 CONECT 1459 1240 CONECT 1460 1236 1461 1476 1477 CONECT 1461 1460 1462 1465 CONECT 1462 1461 1463 1475 CONECT 1463 1462 1464 1474 CONECT 1464 1463 1465 1469 CONECT 1465 1461 1464 1466 CONECT 1466 1465 1467 1473 CONECT 1467 1466 1468 1472 CONECT 1468 1467 1469 1471 CONECT 1469 1464 1468 1470 CONECT 1470 1469 CONECT 1471 1468 CONECT 1472 1467 CONECT 1473 1466 CONECT 1474 1463 CONECT 1475 1462 CONECT 1476 1460 CONECT 1477 1460 CONECT 1478 1236 CONECT 1479 1235 CONECT 1480 1232 1481 1491 1492 CONECT 1481 1480 1482 1486 1490 CONECT 1482 1481 1483 1484 1485 CONECT 1483 1482 CONECT 1484 1482 CONECT 1485 1482 CONECT 1486 1481 1487 1488 1489 CONECT 1487 1486 CONECT 1488 1486 CONECT 1489 1486 CONECT 1490 1481 CONECT 1491 1480 CONECT 1492 1480 CONECT 1493 1232 CONECT 1494 1231 CONECT 1495 1228 1496 1501 1502 CONECT 1496 1495 1497 1498 CONECT 1497 1496 CONECT 1498 1496 1499 1500 CONECT 1499 1498 CONECT 1500 1498 CONECT 1501 1495 CONECT 1502 1495 CONECT 1503 1228 CONECT 1504 1227 CONECT 1505 1224 1506 1507 1508 CONECT 1506 1505 CONECT 1507 1505 CONECT 1508 1505 CONECT 1509 1224 CONECT 1510 1223 CONECT 1511 1220 1512 1513 1514 CONECT 1512 1511 CONECT 1513 1511 CONECT 1514 1511 CONECT 1515 1220 CONECT 1516 1219 CONECT 1517 1216 1518 1533 1534 CONECT 1518 1517 1519 1531 1532 CONECT 1519 1518 1520 1529 1530 CONECT 1520 1519 1521 1528 CONECT 1521 1520 1522 1525 CONECT 1522 1521 1523 1524 CONECT 1523 1522 CONECT 1524 1522 CONECT 1525 1521 1526 1527 CONECT 1526 1525 CONECT 1527 1525 CONECT 1528 1520 CONECT 1529 1519 CONECT 1530 1519 CONECT 1531 1518 CONECT 1532 1518 CONECT 1533 1517 CONECT 1534 1517 CONECT 1535 1216 CONECT 1536 1215 CONECT 1537 1215 CONECT 1538 1215 MASTER 0 0 0 0 0 0 0 0 1537 1 338 7 END
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Entry Information
PDB ID
2llo
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Calmodulin N-terminal lobe
Ligand Name
19-mer
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=1.5uM
Release Year
2012
Protein/NA Sequence
Check fasta file
Primary Reference
(2012) J.Biol.Chem.Vol.287: pp. 9336-9344.
Ligand Properties
Formula
C
9
7
H
1
7
1
N
3
1
O
2
5
S
Molecular Weight
2203.650
Exact Mass
2202.280
No. of atoms
325
No. of bonds
328
Polar Surface Area
974.06
LOGP Value
-4.83 (
Computed with XLOGP3
)
-6.36 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 26
No. of Hydrogen Bond Acceptors: 25
No. of Rotatable Bonds: 93
No. of Nitrogen and Oxygen Atoms: 56
No. of Rings: 4
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CO)CC(=O)N)CCCC[NH3+])CCCC[NH3+])CO)CCC[NH+]=C(N)N)NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC[NH+]=C(N)N)[NH3+])C)C)CC(=O)N)CC(C)C)CO)CC(C)C)CCSC
InChI String
InChI=1S/C97H165N31O25S/c1-10-52(6)76(92(149)117-61(28-15-18-35-100)81(138)114-62(29-20-37-109-97(106)107)83(140)123-69(47-129)89(146)115-59(26-13-16-33-98)80(137)113-60(27-14-17-34-99)82(139)120-67(45-75(103)133)88(145)125-71(49-131)95(152)153)126-84(141)63(32-40-154-9)116-85(142)65(42-51(4)5)121-90(147)72-30-22-39-128(72)94(151)70(48-130)124-91(148)73-31-21-38-127(73)93(150)68(43-55-46-110-58-25-12-11-23-56(55)58)122-86(143)64(41-50(2)3)119-87(144)66(44-74(102)132)118-78(135)54(8)111-77(134)53(7)112-79(136)57(101)24-19-36-108-96(104)105/h11-12,23,25,46,50-54,57,59-73,76,110,129-131H,10,13-22,24,26-45,47-49,98-101H2,1-9H3,(H2,102,132)(H2,103,133)(H,111,134)(H,112,136)(H,113,137)(H,114,138)(H,115,146)(H,116,142)(H,117,149)(H,118,135)(H,119,144)(H,120,139)(H,121,147)(H,122,143)(H,123,140)(H,124,148)(H,125,145)(H,126,141)(H,152,153)(H4,104,105,108)(H4,106,107,109)/p+6/t52-,53-,54-,57-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,76-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
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Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P03372
P0DP33
Entrez Gene ID
NCBI Entrez Gene ID:
2099
108698710
380558
399259
606721
ASD
Information of known allosteric effects of PDB entries
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