Browse entries in the PDBbind-CN Database
HEADER 2K7L_COMPLEX COMPND 2K7L_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 67 ASP VAL GLN VAL THR GLU ASP ALA VAL ARG ARG TYR LEU SEQRES 2 A 67 THR ARG LYS PRO MET THR THR LYS ASP LEU LEU LYS LYS SEQRES 3 A 67 PHE GLN THR LYS LYS THR GLY LEU SER SER GLU GLN THR SEQRES 4 A 67 VAL ASN VAL LEU ALA GLN ILE LEU LYS ARG LEU ASN PRO SEQRES 5 A 67 GLU ARG LYS MET ILE ASN ASP LYS MET HIS PHE SER LEU SEQRES 6 A 67 LYS GLU HET GLU A 68 317 ATOM 1 N ASP A 451 -17.841 -5.225 -0.122 1.00 3.55 N ATOM 2 CA ASP A 451 -16.698 -6.081 0.291 1.00 2.93 C ATOM 3 C ASP A 451 -15.546 -5.980 -0.705 1.00 2.21 C ATOM 4 O ASP A 451 -15.244 -6.935 -1.421 1.00 2.58 O ATOM 5 CB ASP A 451 -17.184 -7.527 0.394 1.00 3.56 C ATOM 6 CG ASP A 451 -17.918 -7.980 -0.853 1.00 3.99 C ATOM 7 OD1 ASP A 451 -19.096 -7.599 -1.020 1.00 4.25 O ATOM 8 OD2 ASP A 451 -17.315 -8.716 -1.662 1.00 4.57 O ATOM 9 HA ASP A 451 -16.326 -5.741 1.258 1.00 0.00 H ATOM 10 HB2 ASP A 451 -16.322 -8.176 0.549 1.00 0.00 H ATOM 11 HB3 ASP A 451 -17.858 -7.610 1.247 1.00 0.00 H ATOM 12 HN3 ASP A 451 -18.181 -5.530 -1.056 1.00 0.00 H ATOM 13 HN2 ASP A 451 -17.530 -4.234 -0.172 1.00 0.00 H ATOM 14 HN1 ASP A 451 -18.609 -5.314 0.574 1.00 0.00 H ATOM 15 N VAL A 452 -14.906 -4.816 -0.746 1.00 1.63 N ATOM 16 CA VAL A 452 -13.789 -4.590 -1.654 1.00 1.01 C ATOM 17 C VAL A 452 -12.633 -5.537 -1.347 1.00 0.93 C ATOM 18 O VAL A 452 -12.375 -5.859 -0.190 1.00 1.45 O ATOM 19 CB VAL A 452 -13.289 -3.133 -1.576 1.00 1.08 C ATOM 20 CG1 VAL A 452 -12.828 -2.799 -0.166 1.00 1.89 C ATOM 21 CG2 VAL A 452 -12.172 -2.893 -2.582 1.00 1.60 C ATOM 22 HA VAL A 452 -14.153 -4.785 -2.663 1.00 0.00 H ATOM 23 HB VAL A 452 -14.119 -2.472 -1.827 1.00 0.00 H ATOM 24 HG11 VAL A 452 -13.660 -2.924 0.526 1.00 0.00 H ATOM 25 HG12 VAL A 452 -12.015 -3.467 0.117 1.00 0.00 H ATOM 26 HG13 VAL A 452 -12.480 -1.767 -0.134 1.00 0.00 H ATOM 27 HG21 VAL A 452 -11.340 -3.564 -2.366 1.00 0.00 H ATOM 28 HG22 VAL A 452 -12.544 -3.085 -3.588 1.00 0.00 H ATOM 29 HG23 VAL A 452 -11.835 -1.859 -2.509 1.00 0.00 H ATOM 30 H VAL A 452 -15.210 -4.048 -0.115 1.00 0.00 H ATOM 31 N GLN A 453 -11.941 -5.981 -2.392 1.00 0.76 N ATOM 32 CA GLN A 453 -10.814 -6.895 -2.228 1.00 0.67 C ATOM 33 C GLN A 453 -9.523 -6.269 -2.746 1.00 0.58 C ATOM 34 O GLN A 453 -9.509 -5.630 -3.798 1.00 0.66 O ATOM 35 CB GLN A 453 -11.077 -8.220 -2.948 1.00 0.79 C ATOM 36 CG GLN A 453 -12.482 -8.353 -3.513 1.00 1.03 C ATOM 37 CD GLN A 453 -12.797 -9.764 -3.971 1.00 1.32 C ATOM 38 OE1 GLN A 453 -11.899 -10.590 -4.137 1.00 1.83 O ATOM 39 NE2 GLN A 453 -14.077 -10.047 -4.179 1.00 1.92 N ATOM 40 HA GLN A 453 -10.702 -7.092 -1.162 1.00 0.00 H ATOM 41 HB2 GLN A 453 -10.367 -8.309 -3.771 1.00 0.00 H ATOM 42 HB3 GLN A 453 -10.915 -9.033 -2.240 1.00 0.00 H ATOM 43 HG2 GLN A 453 -13.197 -8.069 -2.741 1.00 0.00 H ATOM 44 HG3 GLN A 453 -12.581 -7.679 -4.364 1.00 0.00 H ATOM 45 HE22 GLN A 453 -14.802 -9.318 -4.026 1.00 0.00 H ATOM 46 HE21 GLN A 453 -14.355 -10.998 -4.495 1.00 0.00 H ATOM 47 H GLN A 453 -12.208 -5.670 -3.348 1.00 0.00 H ATOM 48 N VAL A 454 -8.439 -6.460 -2.001 1.00 0.49 N ATOM 49 CA VAL A 454 -7.141 -5.918 -2.385 1.00 0.43 C ATOM 50 C VAL A 454 -6.582 -6.659 -3.584 1.00 0.37 C ATOM 51 O VAL A 454 -6.214 -7.829 -3.490 1.00 0.40 O ATOM 52 CB VAL A 454 -6.140 -5.987 -1.217 1.00 0.44 C ATOM 53 CG1 VAL A 454 -4.699 -5.862 -1.701 1.00 0.59 C ATOM 54 CG2 VAL A 454 -6.464 -4.899 -0.219 1.00 0.39 C ATOM 55 HA VAL A 454 -7.290 -4.872 -2.652 1.00 0.00 H ATOM 56 HB VAL A 454 -6.233 -6.962 -0.738 1.00 0.00 H ATOM 57 HG11 VAL A 454 -4.477 -6.675 -2.392 1.00 0.00 H ATOM 58 HG12 VAL A 454 -4.569 -4.906 -2.209 1.00 0.00 H ATOM 59 HG13 VAL A 454 -4.024 -5.915 -0.847 1.00 0.00 H ATOM 60 HG21 VAL A 454 -6.391 -3.927 -0.707 1.00 0.00 H ATOM 61 HG22 VAL A 454 -7.477 -5.043 0.158 1.00 0.00 H ATOM 62 HG23 VAL A 454 -5.757 -4.945 0.609 1.00 0.00 H ATOM 63 H VAL A 454 -8.519 -7.010 -1.122 1.00 0.00 H ATOM 64 N THR A 455 -6.533 -5.974 -4.716 1.00 0.32 N ATOM 65 CA THR A 455 -6.031 -6.580 -5.931 1.00 0.28 C ATOM 66 C THR A 455 -5.021 -5.705 -6.637 1.00 0.26 C ATOM 67 O THR A 455 -4.897 -4.513 -6.362 1.00 0.31 O ATOM 68 CB THR A 455 -7.186 -6.890 -6.866 1.00 0.31 C ATOM 69 OG1 THR A 455 -8.010 -5.751 -7.043 1.00 0.31 O ATOM 70 CG2 THR A 455 -8.046 -8.008 -6.335 1.00 0.38 C ATOM 71 HA THR A 455 -5.521 -7.501 -5.648 1.00 0.00 H ATOM 72 HB THR A 455 -6.745 -7.190 -7.817 1.00 0.00 H ATOM 73 HG1 THR A 455 -8.755 -5.976 -7.655 1.00 0.00 H ATOM 74 HG23 THR A 455 -7.434 -8.898 -6.190 1.00 0.00 H ATOM 75 HG21 THR A 455 -8.484 -7.707 -5.383 1.00 0.00 H ATOM 76 HG22 THR A 455 -8.840 -8.224 -7.049 1.00 0.00 H ATOM 77 H THR A 455 -6.860 -4.987 -4.732 1.00 0.00 H ATOM 78 N GLU A 456 -4.315 -6.322 -7.566 1.00 0.27 N ATOM 79 CA GLU A 456 -3.315 -5.643 -8.355 1.00 0.29 C ATOM 80 C GLU A 456 -3.939 -4.505 -9.142 1.00 0.31 C ATOM 81 O GLU A 456 -3.482 -3.365 -9.082 1.00 0.36 O ATOM 82 CB GLU A 456 -2.679 -6.644 -9.307 1.00 0.32 C ATOM 83 CG GLU A 456 -1.449 -7.328 -8.733 1.00 0.35 C ATOM 84 CD GLU A 456 -0.728 -8.181 -9.758 1.00 0.53 C ATOM 85 OE1 GLU A 456 -0.487 -7.687 -10.879 1.00 1.25 O ATOM 86 OE2 GLU A 456 -0.403 -9.345 -9.439 1.00 1.19 O ATOM 87 HA GLU A 456 -2.557 -5.224 -7.694 1.00 0.00 H ATOM 88 HB2 GLU A 456 -3.418 -7.408 -9.549 1.00 0.00 H ATOM 89 HB3 GLU A 456 -2.389 -6.119 -10.217 1.00 0.00 H ATOM 90 HG2 GLU A 456 -0.762 -6.564 -8.368 1.00 0.00 H ATOM 91 HG3 GLU A 456 -1.757 -7.964 -7.903 1.00 0.00 H ATOM 92 H GLU A 456 -4.485 -7.334 -7.736 1.00 0.00 H ATOM 93 N ASP A 457 -4.982 -4.838 -9.886 1.00 0.30 N ATOM 94 CA ASP A 457 -5.688 -3.863 -10.714 1.00 0.34 C ATOM 95 C ASP A 457 -6.278 -2.724 -9.886 1.00 0.31 C ATOM 96 O ASP A 457 -6.435 -1.606 -10.376 1.00 0.34 O ATOM 97 CB ASP A 457 -6.792 -4.553 -11.512 1.00 0.37 C ATOM 98 CG ASP A 457 -6.573 -4.455 -13.010 1.00 0.44 C ATOM 99 OD1 ASP A 457 -5.592 -5.048 -13.506 1.00 1.04 O ATOM 100 OD2 ASP A 457 -7.382 -3.786 -13.686 1.00 1.29 O ATOM 101 HA ASP A 457 -4.958 -3.428 -11.397 1.00 0.00 H ATOM 102 HB2 ASP A 457 -6.821 -5.606 -11.231 1.00 0.00 H ATOM 103 HB3 ASP A 457 -7.746 -4.086 -11.266 1.00 0.00 H ATOM 104 H ASP A 457 -5.309 -5.825 -9.881 1.00 0.00 H ATOM 105 N ALA A 458 -6.613 -3.014 -8.638 1.00 0.28 N ATOM 106 CA ALA A 458 -7.198 -2.013 -7.751 1.00 0.27 C ATOM 107 C ALA A 458 -6.176 -0.967 -7.330 1.00 0.25 C ATOM 108 O ALA A 458 -6.504 0.210 -7.200 1.00 0.38 O ATOM 109 CB ALA A 458 -7.800 -2.676 -6.520 1.00 0.28 C ATOM 110 HA ALA A 458 -7.987 -1.507 -8.308 1.00 0.00 H ATOM 111 HB1 ALA A 458 -8.578 -3.374 -6.829 1.00 0.00 H ATOM 112 HB2 ALA A 458 -7.020 -3.214 -5.981 1.00 0.00 H ATOM 113 HB3 ALA A 458 -8.231 -1.913 -5.872 1.00 0.00 H ATOM 114 H ALA A 458 -6.456 -3.978 -8.281 1.00 0.00 H ATOM 115 N VAL A 459 -4.943 -1.395 -7.101 1.00 0.25 N ATOM 116 CA VAL A 459 -3.902 -0.475 -6.681 1.00 0.23 C ATOM 117 C VAL A 459 -3.460 0.430 -7.825 1.00 0.26 C ATOM 118 O VAL A 459 -3.099 1.585 -7.607 1.00 0.28 O ATOM 119 CB VAL A 459 -2.684 -1.215 -6.103 1.00 0.22 C ATOM 120 CG1 VAL A 459 -1.700 -0.223 -5.504 1.00 0.22 C ATOM 121 CG2 VAL A 459 -3.124 -2.231 -5.059 1.00 0.25 C ATOM 122 HA VAL A 459 -4.334 0.143 -5.894 1.00 0.00 H ATOM 123 HB VAL A 459 -2.186 -1.750 -6.912 1.00 0.00 H ATOM 124 HG11 VAL A 459 -1.364 0.466 -6.279 1.00 0.00 H ATOM 125 HG12 VAL A 459 -2.189 0.336 -4.706 1.00 0.00 H ATOM 126 HG13 VAL A 459 -0.844 -0.762 -5.099 1.00 0.00 H ATOM 127 HG21 VAL A 459 -3.644 -1.717 -4.250 1.00 0.00 H ATOM 128 HG22 VAL A 459 -3.794 -2.957 -5.520 1.00 0.00 H ATOM 129 HG23 VAL A 459 -2.248 -2.744 -4.662 1.00 0.00 H ATOM 130 H VAL A 459 -4.718 -2.403 -7.224 1.00 0.00 H ATOM 131 N ARG A 460 -3.506 -0.094 -9.043 1.00 0.29 N ATOM 132 CA ARG A 460 -3.121 0.680 -10.224 1.00 0.33 C ATOM 133 C ARG A 460 -3.973 1.939 -10.336 1.00 0.36 C ATOM 134 O ARG A 460 -3.474 3.007 -10.687 1.00 0.40 O ATOM 135 CB ARG A 460 -3.273 -0.155 -11.500 1.00 0.38 C ATOM 136 CG ARG A 460 -2.729 -1.571 -11.389 1.00 0.40 C ATOM 137 CD ARG A 460 -1.297 -1.591 -10.874 1.00 0.39 C ATOM 138 NE ARG A 460 -0.361 -2.085 -11.882 1.00 0.43 N ATOM 139 CZ ARG A 460 -0.319 -3.348 -12.299 1.00 1.20 C ATOM 140 NH1 ARG A 460 -1.157 -4.248 -11.799 1.00 2.26 N ATOM 141 NH2 ARG A 460 0.563 -3.713 -13.219 1.00 1.18 N ATOM 142 HA ARG A 460 -2.074 0.962 -10.111 1.00 0.00 H ATOM 143 HB2 ARG A 460 -4.333 -0.214 -11.745 1.00 0.00 H ATOM 144 HB3 ARG A 460 -2.743 0.353 -12.306 1.00 0.00 H ATOM 145 HG2 ARG A 460 -3.358 -2.138 -10.703 1.00 0.00 H ATOM 146 HG3 ARG A 460 -2.756 -2.037 -12.374 1.00 0.00 H ATOM 147 HD2 ARG A 460 -1.246 -2.238 -9.999 1.00 0.00 H ATOM 148 HD3 ARG A 460 -1.010 -0.578 -10.592 1.00 0.00 H ATOM 149 HE ARG A 460 0.312 -1.410 -12.298 1.00 0.00 H ATOM 150 HH12 ARG A 460 -1.119 -5.234 -12.129 1.00 0.00 H ATOM 151 HH11 ARG A 460 -1.851 -3.968 -11.077 1.00 0.00 H ATOM 152 HH22 ARG A 460 0.596 -4.700 -13.545 1.00 0.00 H ATOM 153 HH21 ARG A 460 1.222 -3.012 -13.615 1.00 0.00 H ATOM 154 H ARG A 460 -3.823 -1.077 -9.161 1.00 0.00 H ATOM 155 N ARG A 461 -5.260 1.806 -10.028 1.00 0.37 N ATOM 156 CA ARG A 461 -6.184 2.927 -10.088 1.00 0.41 C ATOM 157 C ARG A 461 -5.839 3.961 -9.020 1.00 0.37 C ATOM 158 O ARG A 461 -6.070 5.156 -9.203 1.00 0.42 O ATOM 159 CB ARG A 461 -7.623 2.415 -9.935 1.00 0.44 C ATOM 160 CG ARG A 461 -8.160 2.501 -8.523 1.00 0.48 C ATOM 161 CD ARG A 461 -9.629 2.122 -8.456 1.00 0.55 C ATOM 162 NE ARG A 461 -9.855 0.954 -7.609 1.00 1.14 N ATOM 163 CZ ARG A 461 -11.038 0.633 -7.088 1.00 1.60 C ATOM 164 NH1 ARG A 461 -12.102 1.390 -7.326 1.00 1.70 N ATOM 165 NH2 ARG A 461 -11.157 -0.447 -6.328 1.00 2.54 N ATOM 166 HA ARG A 461 -6.097 3.419 -11.057 1.00 0.00 H ATOM 167 HB2 ARG A 461 -8.268 3.007 -10.584 1.00 0.00 H ATOM 168 HB3 ARG A 461 -7.651 1.372 -10.250 1.00 0.00 H ATOM 169 HG2 ARG A 461 -7.591 1.823 -7.887 1.00 0.00 H ATOM 170 HG3 ARG A 461 -8.042 3.522 -8.161 1.00 0.00 H ATOM 171 HD2 ARG A 461 -9.982 1.900 -9.463 1.00 0.00 H ATOM 172 HD3 ARG A 461 -10.192 2.964 -8.053 1.00 0.00 H ATOM 173 HE ARG A 461 -9.045 0.337 -7.400 1.00 0.00 H ATOM 174 HH12 ARG A 461 -13.024 1.135 -6.917 1.00 0.00 H ATOM 175 HH11 ARG A 461 -12.014 2.238 -7.922 1.00 0.00 H ATOM 176 HH22 ARG A 461 -12.081 -0.697 -5.921 1.00 0.00 H ATOM 177 HH21 ARG A 461 -10.326 -1.044 -6.139 1.00 0.00 H ATOM 178 H ARG A 461 -5.616 0.873 -9.736 1.00 0.00 H ATOM 179 N TYR A 462 -5.272 3.494 -7.912 1.00 0.31 N ATOM 180 CA TYR A 462 -4.881 4.383 -6.828 1.00 0.29 C ATOM 181 C TYR A 462 -3.703 5.248 -7.255 1.00 0.29 C ATOM 182 O TYR A 462 -3.637 6.432 -6.931 1.00 0.34 O ATOM 183 CB TYR A 462 -4.501 3.580 -5.579 1.00 0.28 C ATOM 184 CG TYR A 462 -5.548 2.579 -5.134 1.00 0.32 C ATOM 185 CD1 TYR A 462 -6.832 2.588 -5.669 1.00 1.22 C ATOM 186 CD2 TYR A 462 -5.248 1.621 -4.171 1.00 1.23 C ATOM 187 CE1 TYR A 462 -7.783 1.674 -5.259 1.00 1.26 C ATOM 188 CE2 TYR A 462 -6.194 0.704 -3.759 1.00 1.27 C ATOM 189 CZ TYR A 462 -7.459 0.734 -4.305 1.00 0.54 C ATOM 190 OH TYR A 462 -8.404 -0.179 -3.895 1.00 0.67 O ATOM 191 HA TYR A 462 -5.731 5.023 -6.591 1.00 0.00 H ATOM 192 HB3 TYR A 462 -4.330 4.281 -4.762 1.00 0.00 H ATOM 193 HB2 TYR A 462 -3.579 3.038 -5.790 1.00 0.00 H ATOM 194 HD2 TYR A 462 -4.250 1.594 -3.735 1.00 0.00 H ATOM 195 HE2 TYR A 462 -5.941 -0.041 -3.005 1.00 0.00 H ATOM 196 HE1 TYR A 462 -8.785 1.696 -5.688 1.00 0.00 H ATOM 197 HD1 TYR A 462 -7.092 3.329 -6.425 1.00 0.00 H ATOM 198 HH TYR A 462 -9.250 -0.018 -4.383 1.00 0.00 H ATOM 199 H TYR A 462 -5.104 2.472 -7.818 1.00 0.00 H ATOM 200 N LEU A 463 -2.774 4.638 -7.981 1.00 0.27 N ATOM 201 CA LEU A 463 -1.587 5.322 -8.456 1.00 0.29 C ATOM 202 C LEU A 463 -1.918 6.340 -9.536 1.00 0.33 C ATOM 203 O LEU A 463 -1.714 7.540 -9.356 1.00 0.36 O ATOM 204 CB LEU A 463 -0.602 4.301 -9.012 1.00 0.30 C ATOM 205 CG LEU A 463 -0.551 2.952 -8.293 1.00 0.31 C ATOM 206 CD1 LEU A 463 0.725 2.214 -8.664 1.00 0.39 C ATOM 207 CD2 LEU A 463 -0.653 3.128 -6.783 1.00 0.30 C ATOM 208 HA LEU A 463 -1.147 5.855 -7.613 1.00 0.00 H ATOM 209 HB2 LEU A 463 -0.868 4.114 -10.052 1.00 0.00 H ATOM 210 HB3 LEU A 463 0.394 4.741 -8.966 1.00 0.00 H ATOM 211 HG LEU A 463 -1.407 2.359 -8.614 1.00 0.00 H ATOM 212 HD21 LEU A 463 0.178 3.741 -6.433 1.00 0.00 H ATOM 213 HD22 LEU A 463 -1.596 3.618 -6.538 1.00 0.00 H ATOM 214 HD23 LEU A 463 -0.614 2.151 -6.301 1.00 0.00 H ATOM 215 HD11 LEU A 463 0.747 2.048 -9.741 1.00 0.00 H ATOM 216 HD12 LEU A 463 1.588 2.811 -8.369 1.00 0.00 H ATOM 217 HD13 LEU A 463 0.752 1.255 -8.147 1.00 0.00 H ATOM 218 H LEU A 463 -2.902 3.633 -8.218 1.00 0.00 H ATOM 219 N THR A 464 -2.425 5.851 -10.665 1.00 0.34 N ATOM 220 CA THR A 464 -2.779 6.718 -11.783 1.00 0.39 C ATOM 221 C THR A 464 -3.595 7.912 -11.308 1.00 0.40 C ATOM 222 O THR A 464 -3.593 8.971 -11.936 1.00 0.45 O ATOM 223 CB THR A 464 -3.559 5.934 -12.841 1.00 0.40 C ATOM 224 OG1 THR A 464 -4.020 4.702 -12.319 1.00 0.49 O ATOM 225 CG2 THR A 464 -2.746 5.632 -14.081 1.00 0.54 C ATOM 226 HA THR A 464 -1.856 7.089 -12.228 1.00 0.00 H ATOM 227 HB THR A 464 -4.393 6.579 -13.119 1.00 0.00 H ATOM 228 HG1 THR A 464 -3.246 4.159 -12.026 1.00 0.00 H ATOM 229 HG23 THR A 464 -2.376 6.564 -14.507 1.00 0.00 H ATOM 230 HG21 THR A 464 -1.904 4.993 -13.815 1.00 0.00 H ATOM 231 HG22 THR A 464 -3.375 5.122 -14.811 1.00 0.00 H ATOM 232 H THR A 464 -2.572 4.825 -10.752 1.00 0.00 H ATOM 233 N ARG A 465 -4.292 7.731 -10.195 1.00 0.36 N ATOM 234 CA ARG A 465 -5.110 8.786 -9.635 1.00 0.38 C ATOM 235 C ARG A 465 -4.300 9.670 -8.687 1.00 0.40 C ATOM 236 O ARG A 465 -4.369 10.897 -8.760 1.00 0.45 O ATOM 237 CB ARG A 465 -6.313 8.194 -8.899 1.00 0.38 C ATOM 238 CG ARG A 465 -7.485 9.154 -8.779 1.00 1.08 C ATOM 239 CD ARG A 465 -8.780 8.418 -8.474 1.00 1.16 C ATOM 240 NE ARG A 465 -9.616 9.151 -7.526 1.00 1.88 N ATOM 241 CZ ARG A 465 -10.607 8.598 -6.829 1.00 2.40 C ATOM 242 NH1 ARG A 465 -10.887 7.309 -6.970 1.00 2.60 N ATOM 243 NH2 ARG A 465 -11.318 9.337 -5.989 1.00 3.27 N ATOM 244 HA ARG A 465 -5.465 9.405 -10.458 1.00 0.00 H ATOM 245 HB2 ARG A 465 -6.647 7.308 -9.440 1.00 0.00 H ATOM 246 HB3 ARG A 465 -5.997 7.908 -7.896 1.00 0.00 H ATOM 247 HG2 ARG A 465 -7.282 9.862 -7.976 1.00 0.00 H ATOM 248 HG3 ARG A 465 -7.598 9.695 -9.719 1.00 0.00 H ATOM 249 HD2 ARG A 465 -8.540 7.443 -8.051 1.00 0.00 H ATOM 250 HD3 ARG A 465 -9.335 8.283 -9.402 1.00 0.00 H ATOM 251 HE ARG A 465 -9.426 10.164 -7.387 1.00 0.00 H ATOM 252 HH12 ARG A 465 -11.662 6.882 -6.423 1.00 0.00 H ATOM 253 HH11 ARG A 465 -10.332 6.725 -7.627 1.00 0.00 H ATOM 254 HH22 ARG A 465 -12.092 8.906 -5.444 1.00 0.00 H ATOM 255 HH21 ARG A 465 -11.102 10.348 -5.875 1.00 0.00 H ATOM 256 H ARG A 465 -4.250 6.810 -9.713 1.00 0.00 H ATOM 257 N LYS A 466 -3.534 9.042 -7.794 1.00 0.41 N ATOM 258 CA LYS A 466 -2.719 9.778 -6.835 1.00 0.44 C ATOM 259 C LYS A 466 -1.761 8.839 -6.099 1.00 0.39 C ATOM 260 O LYS A 466 -2.160 7.770 -5.641 1.00 0.58 O ATOM 261 CB LYS A 466 -3.621 10.508 -5.846 1.00 0.48 C ATOM 262 CG LYS A 466 -2.903 11.063 -4.624 1.00 1.44 C ATOM 263 CD LYS A 466 -2.286 12.424 -4.908 1.00 2.31 C ATOM 264 CE LYS A 466 -0.926 12.571 -4.244 1.00 3.04 C ATOM 265 NZ LYS A 466 -0.909 13.680 -3.251 1.00 3.97 N ATOM 266 HA LYS A 466 -2.119 10.510 -7.375 1.00 0.00 H ATOM 267 HB2 LYS A 466 -4.096 11.339 -6.368 1.00 0.00 H ATOM 268 HB3 LYS A 466 -4.386 9.810 -5.504 1.00 0.00 H ATOM 269 HG2 LYS A 466 -3.618 11.162 -3.807 1.00 0.00 H ATOM 270 HG3 LYS A 466 -2.114 10.370 -4.332 1.00 0.00 H ATOM 271 HD2 LYS A 466 -2.169 12.542 -5.985 1.00 0.00 H ATOM 272 HD3 LYS A 466 -2.951 13.200 -4.529 1.00 0.00 H ATOM 273 HE2 LYS A 466 -0.179 12.774 -5.012 1.00 0.00 H ATOM 274 HE3 LYS A 466 -0.679 11.639 -3.736 1.00 0.00 H ATOM 275 HZ1 LYS A 466 -1.137 14.575 -3.729 1.00 0.00 H ATOM 276 HZ2 LYS A 466 -1.615 13.492 -2.511 1.00 0.00 H ATOM 277 HZ3 LYS A 466 0.036 13.745 -2.822 1.00 0.00 H ATOM 278 H LYS A 466 -3.518 8.002 -7.781 1.00 0.00 H ATOM 279 N PRO A 467 -0.478 9.223 -5.971 1.00 0.26 N ATOM 280 CA PRO A 467 0.524 8.401 -5.288 1.00 0.23 C ATOM 281 C PRO A 467 0.107 8.026 -3.870 1.00 0.26 C ATOM 282 O PRO A 467 -0.716 8.702 -3.253 1.00 0.42 O ATOM 283 CB PRO A 467 1.788 9.273 -5.289 1.00 0.26 C ATOM 284 CG PRO A 467 1.312 10.650 -5.605 1.00 0.57 C ATOM 285 CD PRO A 467 0.101 10.476 -6.476 1.00 0.41 C ATOM 286 HA PRO A 467 0.670 7.444 -5.790 1.00 0.00 H ATOM 287 HD3 PRO A 467 -0.593 11.308 -6.356 1.00 0.00 H ATOM 288 HD2 PRO A 467 0.380 10.386 -7.526 1.00 0.00 H ATOM 289 HG3 PRO A 467 2.085 11.206 -6.136 1.00 0.00 H ATOM 290 HG2 PRO A 467 1.048 11.180 -4.690 1.00 0.00 H ATOM 291 HB2 PRO A 467 2.270 9.250 -4.312 1.00 0.00 H ATOM 292 HB3 PRO A 467 2.491 8.928 -6.047 1.00 0.00 H ATOM 293 N MET A 468 0.671 6.930 -3.367 1.00 0.26 N ATOM 294 CA MET A 468 0.349 6.444 -2.028 1.00 0.32 C ATOM 295 C MET A 468 1.519 5.705 -1.396 1.00 0.29 C ATOM 296 O MET A 468 2.434 5.250 -2.082 1.00 0.39 O ATOM 297 CB MET A 468 -0.860 5.495 -2.073 1.00 0.41 C ATOM 298 CG MET A 468 -0.517 4.069 -2.491 1.00 0.72 C ATOM 299 SD MET A 468 0.487 3.995 -3.989 1.00 0.92 S ATOM 300 CE MET A 468 1.626 2.672 -3.584 1.00 0.51 C ATOM 301 HA MET A 468 0.118 7.321 -1.424 1.00 0.00 H ATOM 302 HB2 MET A 468 -1.307 5.463 -1.080 1.00 0.00 H ATOM 303 HB3 MET A 468 -1.584 5.895 -2.783 1.00 0.00 H ATOM 304 HG2 MET A 468 -1.445 3.526 -2.668 1.00 0.00 H ATOM 305 HG3 MET A 468 0.033 3.592 -1.680 1.00 0.00 H ATOM 306 HE1 MET A 468 2.195 2.943 -2.695 1.00 0.00 H ATOM 307 HE2 MET A 468 1.065 1.757 -3.393 1.00 0.00 H ATOM 308 HE3 MET A 468 2.309 2.514 -4.419 1.00 0.00 H ATOM 309 H MET A 468 1.360 6.406 -3.943 1.00 0.00 H ATOM 310 N THR A 469 1.442 5.544 -0.082 1.00 0.27 N ATOM 311 CA THR A 469 2.447 4.807 0.664 1.00 0.26 C ATOM 312 C THR A 469 1.844 3.465 1.058 1.00 0.24 C ATOM 313 O THR A 469 0.621 3.325 1.084 1.00 0.33 O ATOM 314 CB THR A 469 2.881 5.575 1.915 1.00 0.32 C ATOM 315 OG1 THR A 469 1.954 5.385 2.970 1.00 0.61 O ATOM 316 CG2 THR A 469 3.018 7.063 1.692 1.00 0.48 C ATOM 317 HA THR A 469 3.333 4.666 0.045 1.00 0.00 H ATOM 318 HB THR A 469 3.861 5.171 2.170 1.00 0.00 H ATOM 319 HG1 THR A 469 2.255 5.890 3.767 1.00 0.00 H ATOM 320 HG23 THR A 469 3.727 7.244 0.884 1.00 0.00 H ATOM 321 HG21 THR A 469 2.047 7.480 1.426 1.00 0.00 H ATOM 322 HG22 THR A 469 3.379 7.534 2.606 1.00 0.00 H ATOM 323 H THR A 469 0.637 5.958 0.430 1.00 0.00 H ATOM 324 N THR A 470 2.673 2.475 1.359 1.00 0.27 N ATOM 325 CA THR A 470 2.150 1.166 1.736 1.00 0.28 C ATOM 326 C THR A 470 1.154 1.287 2.875 1.00 0.32 C ATOM 327 O THR A 470 0.067 0.715 2.823 1.00 0.42 O ATOM 328 CB THR A 470 3.277 0.209 2.109 1.00 0.33 C ATOM 329 OG1 THR A 470 4.431 0.917 2.521 1.00 0.41 O ATOM 330 CG2 THR A 470 3.669 -0.694 0.964 1.00 0.62 C ATOM 331 HA THR A 470 1.631 0.755 0.870 1.00 0.00 H ATOM 332 HB THR A 470 2.891 -0.400 2.927 1.00 0.00 H ATOM 333 HG1 THR A 470 5.145 0.273 2.757 1.00 0.00 H ATOM 334 HG23 THR A 470 2.795 -1.252 0.627 1.00 0.00 H ATOM 335 HG21 THR A 470 4.055 -0.090 0.143 1.00 0.00 H ATOM 336 HG22 THR A 470 4.439 -1.389 1.298 1.00 0.00 H ATOM 337 H THR A 470 3.701 2.632 1.326 1.00 0.00 H ATOM 338 N LYS A 471 1.525 2.049 3.886 1.00 0.31 N ATOM 339 CA LYS A 471 0.655 2.264 5.035 1.00 0.35 C ATOM 340 C LYS A 471 -0.657 2.897 4.592 1.00 0.33 C ATOM 341 O LYS A 471 -1.738 2.407 4.914 1.00 0.37 O ATOM 342 CB LYS A 471 1.339 3.163 6.069 1.00 0.40 C ATOM 343 CG LYS A 471 2.800 2.821 6.311 1.00 0.81 C ATOM 344 CD LYS A 471 3.723 3.731 5.519 1.00 0.43 C ATOM 345 CE LYS A 471 4.965 2.990 5.048 1.00 0.85 C ATOM 346 NZ LYS A 471 5.233 3.212 3.602 1.00 1.32 N ATOM 347 HA LYS A 471 0.449 1.296 5.492 1.00 0.00 H ATOM 348 HB2 LYS A 471 1.281 4.194 5.720 1.00 0.00 H ATOM 349 HB3 LYS A 471 0.803 3.070 7.014 1.00 0.00 H ATOM 350 HG2 LYS A 471 3.019 2.932 7.373 1.00 0.00 H ATOM 351 HG3 LYS A 471 2.977 1.788 6.011 1.00 0.00 H ATOM 352 HD2 LYS A 471 3.186 4.111 4.650 1.00 0.00 H ATOM 353 HD3 LYS A 471 4.026 4.566 6.151 1.00 0.00 H ATOM 354 HE2 LYS A 471 4.825 1.923 5.220 1.00 0.00 H ATOM 355 HE3 LYS A 471 5.823 3.340 5.623 1.00 0.00 H ATOM 356 HZ1 LYS A 471 4.422 2.875 3.045 1.00 0.00 H ATOM 357 HZ2 LYS A 471 5.375 4.228 3.429 1.00 0.00 H ATOM 358 HZ3 LYS A 471 6.088 2.689 3.325 1.00 0.00 H ATOM 359 H LYS A 471 2.459 2.506 3.862 1.00 0.00 H ATOM 360 N ASP A 472 -0.548 3.990 3.849 1.00 0.30 N ATOM 361 CA ASP A 472 -1.721 4.702 3.356 1.00 0.30 C ATOM 362 C ASP A 472 -2.541 3.838 2.397 1.00 0.31 C ATOM 363 O ASP A 472 -3.763 3.966 2.331 1.00 0.36 O ATOM 364 CB ASP A 472 -1.300 5.997 2.660 1.00 0.29 C ATOM 365 CG ASP A 472 -2.486 6.806 2.172 1.00 0.33 C ATOM 366 OD1 ASP A 472 -3.110 6.401 1.169 1.00 1.14 O ATOM 367 OD2 ASP A 472 -2.792 7.845 2.794 1.00 1.12 O ATOM 368 HA ASP A 472 -2.348 4.940 4.215 1.00 0.00 H ATOM 369 HB2 ASP A 472 -0.729 6.603 3.364 1.00 0.00 H ATOM 370 HB3 ASP A 472 -0.672 5.747 1.805 1.00 0.00 H ATOM 371 H ASP A 472 0.399 4.349 3.612 1.00 0.00 H ATOM 372 N LEU A 473 -1.868 2.964 1.651 1.00 0.31 N ATOM 373 CA LEU A 473 -2.552 2.095 0.697 1.00 0.33 C ATOM 374 C LEU A 473 -3.355 1.015 1.408 1.00 0.33 C ATOM 375 O LEU A 473 -4.460 0.671 0.993 1.00 0.35 O ATOM 376 CB LEU A 473 -1.556 1.459 -0.262 1.00 0.39 C ATOM 377 CG LEU A 473 -2.050 1.331 -1.703 1.00 0.63 C ATOM 378 CD1 LEU A 473 -0.883 1.111 -2.650 1.00 0.85 C ATOM 379 CD2 LEU A 473 -3.054 0.194 -1.819 1.00 0.96 C ATOM 380 HA LEU A 473 -3.244 2.714 0.127 1.00 0.00 H ATOM 381 HB2 LEU A 473 -0.652 2.067 -0.265 1.00 0.00 H ATOM 382 HB3 LEU A 473 -1.320 0.461 0.106 1.00 0.00 H ATOM 383 HG LEU A 473 -2.546 2.261 -1.982 1.00 0.00 H ATOM 384 HD21 LEU A 473 -2.579 -0.741 -1.521 1.00 0.00 H ATOM 385 HD22 LEU A 473 -3.905 0.394 -1.167 1.00 0.00 H ATOM 386 HD23 LEU A 473 -3.396 0.117 -2.851 1.00 0.00 H ATOM 387 HD11 LEU A 473 -0.199 1.957 -2.584 1.00 0.00 H ATOM 388 HD12 LEU A 473 -0.359 0.196 -2.373 1.00 0.00 H ATOM 389 HD13 LEU A 473 -1.256 1.023 -3.670 1.00 0.00 H ATOM 390 H LEU A 473 -0.835 2.899 1.750 1.00 0.00 H ATOM 391 N LEU A 474 -2.787 0.480 2.476 1.00 0.34 N ATOM 392 CA LEU A 474 -3.452 -0.568 3.246 1.00 0.39 C ATOM 393 C LEU A 474 -4.436 0.017 4.256 1.00 0.39 C ATOM 394 O LEU A 474 -5.548 -0.486 4.413 1.00 0.43 O ATOM 395 CB LEU A 474 -2.445 -1.462 3.973 1.00 0.46 C ATOM 396 CG LEU A 474 -1.386 -0.714 4.765 1.00 0.41 C ATOM 397 CD1 LEU A 474 -1.743 -0.682 6.244 1.00 0.55 C ATOM 398 CD2 LEU A 474 -0.017 -1.344 4.554 1.00 0.54 C ATOM 399 HA LEU A 474 -4.004 -1.176 2.529 1.00 0.00 H ATOM 400 HB2 LEU A 474 -2.995 -2.103 4.662 1.00 0.00 H ATOM 401 HB3 LEU A 474 -1.940 -2.079 3.230 1.00 0.00 H ATOM 402 HG LEU A 474 -1.349 0.313 4.403 1.00 0.00 H ATOM 403 HD21 LEU A 474 -0.041 -2.382 4.886 1.00 0.00 H ATOM 404 HD22 LEU A 474 0.240 -1.306 3.495 1.00 0.00 H ATOM 405 HD23 LEU A 474 0.727 -0.794 5.130 1.00 0.00 H ATOM 406 HD11 LEU A 474 -2.702 -0.180 6.374 1.00 0.00 H ATOM 407 HD12 LEU A 474 -1.812 -1.702 6.622 1.00 0.00 H ATOM 408 HD13 LEU A 474 -0.971 -0.141 6.791 1.00 0.00 H ATOM 409 H LEU A 474 -1.848 0.812 2.774 1.00 0.00 H ATOM 410 N LYS A 475 -4.020 1.076 4.945 1.00 0.46 N ATOM 411 CA LYS A 475 -4.867 1.719 5.948 1.00 0.52 C ATOM 412 C LYS A 475 -6.241 2.066 5.375 1.00 0.46 C ATOM 413 O LYS A 475 -7.246 2.021 6.083 1.00 0.52 O ATOM 414 CB LYS A 475 -4.194 2.982 6.489 1.00 0.65 C ATOM 415 CG LYS A 475 -3.398 2.748 7.764 1.00 0.80 C ATOM 416 CD LYS A 475 -1.915 2.997 7.553 1.00 1.51 C ATOM 417 CE LYS A 475 -1.211 3.316 8.862 1.00 1.70 C ATOM 418 NZ LYS A 475 -1.367 4.746 9.244 1.00 2.53 N ATOM 419 HA LYS A 475 -5.006 1.011 6.765 1.00 0.00 H ATOM 420 HB2 LYS A 475 -3.518 3.367 5.726 1.00 0.00 H ATOM 421 HB3 LYS A 475 -4.966 3.723 6.695 1.00 0.00 H ATOM 422 HG2 LYS A 475 -3.763 3.423 8.538 1.00 0.00 H ATOM 423 HG3 LYS A 475 -3.541 1.717 8.086 1.00 0.00 H ATOM 424 HD2 LYS A 475 -1.465 2.106 7.117 1.00 0.00 H ATOM 425 HD3 LYS A 475 -1.790 3.837 6.870 1.00 0.00 H ATOM 426 HE2 LYS A 475 -0.149 3.094 8.754 1.00 0.00 H ATOM 427 HE3 LYS A 475 -1.633 2.693 9.650 1.00 0.00 H ATOM 428 HZ1 LYS A 475 -0.960 5.349 8.500 1.00 0.00 H ATOM 429 HZ2 LYS A 475 -2.377 4.965 9.356 1.00 0.00 H ATOM 430 HZ3 LYS A 475 -0.872 4.920 10.142 1.00 0.00 H ATOM 431 H LYS A 475 -3.069 1.456 4.766 1.00 0.00 H ATOM 432 N LYS A 476 -6.275 2.417 4.094 1.00 0.46 N ATOM 433 CA LYS A 476 -7.524 2.777 3.434 1.00 0.52 C ATOM 434 C LYS A 476 -8.431 1.560 3.264 1.00 0.49 C ATOM 435 O LYS A 476 -9.646 1.653 3.440 1.00 0.61 O ATOM 436 CB LYS A 476 -7.244 3.413 2.073 1.00 0.63 C ATOM 437 CG LYS A 476 -6.383 2.549 1.169 1.00 0.64 C ATOM 438 CD LYS A 476 -6.868 2.585 -0.271 1.00 0.67 C ATOM 439 CE LYS A 476 -7.359 1.219 -0.723 1.00 1.17 C ATOM 440 NZ LYS A 476 -8.593 1.316 -1.549 1.00 2.02 N ATOM 441 HA LYS A 476 -8.038 3.500 4.067 1.00 0.00 H ATOM 442 HB2 LYS A 476 -8.196 3.594 1.574 1.00 0.00 H ATOM 443 HB3 LYS A 476 -6.733 4.362 2.234 1.00 0.00 H ATOM 444 HG2 LYS A 476 -5.356 2.913 1.205 1.00 0.00 H ATOM 445 HG3 LYS A 476 -6.416 1.520 1.527 1.00 0.00 H ATOM 446 HD2 LYS A 476 -7.685 3.301 -0.353 1.00 0.00 H ATOM 447 HD3 LYS A 476 -6.046 2.898 -0.915 1.00 0.00 H ATOM 448 HE2 LYS A 476 -7.571 0.612 0.157 1.00 0.00 H ATOM 449 HE3 LYS A 476 -6.577 0.741 -1.313 1.00 0.00 H ATOM 450 HZ1 LYS A 476 -9.347 1.765 -0.992 1.00 0.00 H ATOM 451 HZ2 LYS A 476 -8.398 1.888 -2.395 1.00 0.00 H ATOM 452 HZ3 LYS A 476 -8.893 0.362 -1.835 1.00 0.00 H ATOM 453 H LYS A 476 -5.389 2.435 3.549 1.00 0.00 H ATOM 454 N PHE A 477 -7.836 0.418 2.927 1.00 0.43 N ATOM 455 CA PHE A 477 -8.590 -0.808 2.744 1.00 0.48 C ATOM 456 C PHE A 477 -9.186 -1.255 4.064 1.00 0.60 C ATOM 457 O PHE A 477 -10.401 -1.247 4.256 1.00 1.09 O ATOM 458 CB PHE A 477 -7.675 -1.900 2.196 1.00 0.45 C ATOM 459 CG PHE A 477 -7.545 -1.895 0.700 1.00 0.42 C ATOM 460 CD1 PHE A 477 -8.650 -2.099 -0.111 1.00 1.22 C ATOM 461 CD2 PHE A 477 -6.311 -1.693 0.107 1.00 1.21 C ATOM 462 CE1 PHE A 477 -8.524 -2.098 -1.487 1.00 1.25 C ATOM 463 CE2 PHE A 477 -6.179 -1.693 -1.266 1.00 1.21 C ATOM 464 CZ PHE A 477 -7.287 -1.896 -2.065 1.00 0.50 C ATOM 465 HA PHE A 477 -9.397 -0.624 2.035 1.00 0.00 H ATOM 466 HB2 PHE A 477 -6.683 -1.764 2.627 1.00 0.00 H ATOM 467 HB3 PHE A 477 -8.074 -2.867 2.502 1.00 0.00 H ATOM 468 HD2 PHE A 477 -5.433 -1.532 0.732 1.00 0.00 H ATOM 469 HE2 PHE A 477 -5.201 -1.533 -1.720 1.00 0.00 H ATOM 470 HZ PHE A 477 -7.185 -1.897 -3.150 1.00 0.00 H ATOM 471 HE1 PHE A 477 -9.400 -2.257 -2.115 1.00 0.00 H ATOM 472 HD1 PHE A 477 -9.628 -2.262 0.341 1.00 0.00 H ATOM 473 H PHE A 477 -6.805 0.404 2.791 1.00 0.00 H ATOM 474 N GLN A 478 -8.302 -1.632 4.970 1.00 0.38 N ATOM 475 CA GLN A 478 -8.694 -2.083 6.302 1.00 0.45 C ATOM 476 C GLN A 478 -9.767 -3.170 6.235 1.00 0.97 C ATOM 477 O GLN A 478 -10.272 -3.498 5.162 1.00 1.86 O ATOM 478 CB GLN A 478 -9.199 -0.901 7.133 1.00 1.11 C ATOM 479 CG GLN A 478 -8.167 -0.361 8.110 1.00 1.51 C ATOM 480 CD GLN A 478 -8.787 0.113 9.410 1.00 1.85 C ATOM 481 OE1 GLN A 478 -9.924 -0.233 9.731 1.00 2.54 O ATOM 482 NE2 GLN A 478 -8.041 0.911 10.165 1.00 2.11 N ATOM 483 HA GLN A 478 -7.812 -2.511 6.779 1.00 0.00 H ATOM 484 HB2 GLN A 478 -9.484 -0.098 6.453 1.00 0.00 H ATOM 485 HB3 GLN A 478 -10.073 -1.225 7.698 1.00 0.00 H ATOM 486 HG2 GLN A 478 -7.450 -1.151 8.333 1.00 0.00 H ATOM 487 HG3 GLN A 478 -7.649 0.477 7.644 1.00 0.00 H ATOM 488 HE22 GLN A 478 -7.085 1.177 9.854 1.00 0.00 H ATOM 489 HE21 GLN A 478 -8.413 1.270 11.068 1.00 0.00 H ATOM 490 H GLN A 478 -7.291 -1.607 4.726 1.00 0.00 H ATOM 491 N THR A 479 -10.110 -3.722 7.396 1.00 0.84 N ATOM 492 CA THR A 479 -11.124 -4.768 7.482 1.00 1.51 C ATOM 493 C THR A 479 -12.535 -4.196 7.320 1.00 1.38 C ATOM 494 O THR A 479 -13.520 -4.932 7.379 1.00 1.96 O ATOM 495 CB THR A 479 -11.016 -5.494 8.824 1.00 2.40 C ATOM 496 OG1 THR A 479 -9.667 -5.809 9.118 1.00 2.86 O ATOM 497 CG2 THR A 479 -11.810 -6.781 8.877 1.00 3.08 C ATOM 498 HA THR A 479 -10.946 -5.471 6.668 1.00 0.00 H ATOM 499 HB THR A 479 -11.429 -4.802 9.558 1.00 0.00 H ATOM 500 HG1 THR A 479 -9.304 -6.395 8.407 1.00 0.00 H ATOM 501 HG23 THR A 479 -12.856 -6.571 8.654 1.00 0.00 H ATOM 502 HG21 THR A 479 -11.414 -7.481 8.141 1.00 0.00 H ATOM 503 HG22 THR A 479 -11.730 -7.215 9.874 1.00 0.00 H ATOM 504 H THR A 479 -9.642 -3.399 8.267 1.00 0.00 H ATOM 505 N LYS A 480 -12.628 -2.880 7.124 1.00 1.27 N ATOM 506 CA LYS A 480 -13.916 -2.210 6.963 1.00 1.87 C ATOM 507 C LYS A 480 -14.841 -2.971 6.013 1.00 1.57 C ATOM 508 O LYS A 480 -16.045 -3.058 6.250 1.00 1.95 O ATOM 509 CB LYS A 480 -13.706 -0.783 6.450 1.00 2.52 C ATOM 510 CG LYS A 480 -13.816 0.275 7.536 1.00 3.45 C ATOM 511 CD LYS A 480 -15.257 0.716 7.741 1.00 3.94 C ATOM 512 CE LYS A 480 -15.364 2.226 7.880 1.00 4.74 C ATOM 513 NZ LYS A 480 -16.647 2.636 8.515 1.00 5.14 N ATOM 514 HA LYS A 480 -14.395 -2.182 7.942 1.00 0.00 H ATOM 515 HB2 LYS A 480 -12.713 -0.719 6.005 1.00 0.00 H ATOM 516 HB3 LYS A 480 -14.458 -0.576 5.689 1.00 0.00 H ATOM 517 HG2 LYS A 480 -13.435 -0.136 8.471 1.00 0.00 H ATOM 518 HG3 LYS A 480 -13.218 1.140 7.250 1.00 0.00 H ATOM 519 HD2 LYS A 480 -15.851 0.396 6.885 1.00 0.00 H ATOM 520 HD3 LYS A 480 -15.645 0.248 8.646 1.00 0.00 H ATOM 521 HE2 LYS A 480 -15.301 2.677 6.890 1.00 0.00 H ATOM 522 HE3 LYS A 480 -14.537 2.583 8.494 1.00 0.00 H ATOM 523 HZ1 LYS A 480 -17.442 2.305 7.932 1.00 0.00 H ATOM 524 HZ2 LYS A 480 -16.713 2.216 9.464 1.00 0.00 H ATOM 525 HZ3 LYS A 480 -16.679 3.673 8.591 1.00 0.00 H ATOM 526 H LYS A 480 -11.757 -2.313 7.085 1.00 0.00 H ATOM 527 N LYS A 481 -14.280 -3.515 4.936 1.00 1.04 N ATOM 528 CA LYS A 481 -15.081 -4.254 3.965 1.00 0.97 C ATOM 529 C LYS A 481 -14.367 -5.504 3.476 1.00 0.82 C ATOM 530 O LYS A 481 -14.955 -6.585 3.430 1.00 0.88 O ATOM 531 CB LYS A 481 -15.436 -3.358 2.777 1.00 1.30 C ATOM 532 CG LYS A 481 -16.514 -2.331 3.089 1.00 1.80 C ATOM 533 CD LYS A 481 -17.838 -2.690 2.432 1.00 2.06 C ATOM 534 CE LYS A 481 -18.392 -1.528 1.623 1.00 2.66 C ATOM 535 NZ LYS A 481 -19.820 -1.738 1.255 1.00 3.21 N ATOM 536 HA LYS A 481 -15.995 -4.568 4.469 1.00 0.00 H ATOM 537 HB2 LYS A 481 -14.536 -2.829 2.463 1.00 0.00 H ATOM 538 HB3 LYS A 481 -15.788 -3.990 1.961 1.00 0.00 H ATOM 539 HG2 LYS A 481 -16.656 -2.284 4.169 1.00 0.00 H ATOM 540 HG3 LYS A 481 -16.191 -1.356 2.724 1.00 0.00 H ATOM 541 HD2 LYS A 481 -17.685 -3.542 1.770 1.00 0.00 H ATOM 542 HD3 LYS A 481 -18.557 -2.957 3.206 1.00 0.00 H ATOM 543 HE2 LYS A 481 -17.805 -1.422 0.711 1.00 0.00 H ATOM 544 HE3 LYS A 481 -18.311 -0.616 2.214 1.00 0.00 H ATOM 545 HZ1 LYS A 481 -19.906 -2.603 0.684 1.00 0.00 H ATOM 546 HZ2 LYS A 481 -20.389 -1.834 2.120 1.00 0.00 H ATOM 547 HZ3 LYS A 481 -20.158 -0.923 0.705 1.00 0.00 H ATOM 548 H LYS A 481 -13.256 -3.412 4.784 1.00 0.00 H ATOM 549 N THR A 482 -13.100 -5.361 3.115 1.00 0.73 N ATOM 550 CA THR A 482 -12.316 -6.492 2.634 1.00 0.67 C ATOM 551 C THR A 482 -12.357 -7.656 3.624 1.00 0.65 C ATOM 552 O THR A 482 -11.997 -8.782 3.280 1.00 0.71 O ATOM 553 CB THR A 482 -10.864 -6.073 2.393 1.00 0.67 C ATOM 554 OG1 THR A 482 -10.165 -5.961 3.619 1.00 0.89 O ATOM 555 CG2 THR A 482 -10.730 -4.752 1.667 1.00 0.74 C ATOM 556 HA THR A 482 -12.757 -6.822 1.693 1.00 0.00 H ATOM 557 HB THR A 482 -10.441 -6.857 1.765 1.00 0.00 H ATOM 558 HG1 THR A 482 -10.605 -5.280 4.187 1.00 0.00 H ATOM 559 HG23 THR A 482 -11.259 -4.806 0.716 1.00 0.00 H ATOM 560 HG21 THR A 482 -11.159 -3.958 2.278 1.00 0.00 H ATOM 561 HG22 THR A 482 -9.676 -4.544 1.486 1.00 0.00 H ATOM 562 H THR A 482 -12.656 -4.423 3.176 1.00 0.00 H ATOM 563 N GLY A 483 -12.778 -7.380 4.859 1.00 0.65 N ATOM 564 CA GLY A 483 -12.828 -8.420 5.865 1.00 0.72 C ATOM 565 C GLY A 483 -11.453 -8.977 6.144 1.00 0.66 C ATOM 566 O GLY A 483 -11.310 -10.080 6.671 1.00 0.76 O ATOM 567 HA3 GLY A 483 -13.473 -9.225 5.513 1.00 0.00 H ATOM 568 HA2 GLY A 483 -13.237 -8.005 6.786 1.00 0.00 H ATOM 569 H GLY A 483 -13.072 -6.412 5.101 1.00 0.00 H ATOM 570 N LEU A 484 -10.438 -8.205 5.776 1.00 0.55 N ATOM 571 CA LEU A 484 -9.061 -8.613 5.972 1.00 0.51 C ATOM 572 C LEU A 484 -8.428 -7.873 7.143 1.00 0.49 C ATOM 573 O LEU A 484 -8.399 -6.643 7.173 1.00 0.48 O ATOM 574 CB LEU A 484 -8.248 -8.378 4.697 1.00 0.52 C ATOM 575 CG LEU A 484 -7.965 -9.636 3.875 1.00 0.59 C ATOM 576 CD1 LEU A 484 -9.225 -10.098 3.160 1.00 0.98 C ATOM 577 CD2 LEU A 484 -6.842 -9.385 2.879 1.00 0.80 C ATOM 578 HA LEU A 484 -9.057 -9.678 6.203 1.00 0.00 H ATOM 579 HB2 LEU A 484 -8.798 -7.678 4.068 1.00 0.00 H ATOM 580 HB3 LEU A 484 -7.293 -7.936 4.980 1.00 0.00 H ATOM 581 HG LEU A 484 -7.646 -10.427 4.554 1.00 0.00 H ATOM 582 HD21 LEU A 484 -7.130 -8.579 2.204 1.00 0.00 H ATOM 583 HD22 LEU A 484 -5.937 -9.104 3.417 1.00 0.00 H ATOM 584 HD23 LEU A 484 -6.657 -10.293 2.305 1.00 0.00 H ATOM 585 HD11 LEU A 484 -9.998 -10.321 3.896 1.00 0.00 H ATOM 586 HD12 LEU A 484 -9.573 -9.309 2.493 1.00 0.00 H ATOM 587 HD13 LEU A 484 -9.004 -10.994 2.580 1.00 0.00 H ATOM 588 H LEU A 484 -10.636 -7.284 5.336 1.00 0.00 H ATOM 589 N SER A 485 -7.920 -8.638 8.102 1.00 0.51 N ATOM 590 CA SER A 485 -7.276 -8.079 9.289 1.00 0.53 C ATOM 591 C SER A 485 -6.365 -6.907 8.937 1.00 0.49 C ATOM 592 O SER A 485 -5.902 -6.786 7.803 1.00 0.43 O ATOM 593 CB SER A 485 -6.457 -9.154 9.993 1.00 0.57 C ATOM 594 OG SER A 485 -6.771 -9.214 11.374 1.00 0.66 O ATOM 595 HA SER A 485 -8.064 -7.716 9.949 1.00 0.00 H ATOM 596 HB2 SER A 485 -5.397 -8.926 9.878 1.00 0.00 H ATOM 597 HB3 SER A 485 -6.671 -10.121 9.537 1.00 0.00 H ATOM 598 HG SER A 485 -6.226 -9.919 11.805 1.00 0.00 H ATOM 599 H SER A 485 -7.983 -9.672 8.005 1.00 0.00 H ATOM 600 N SER A 486 -6.097 -6.058 9.922 1.00 0.55 N ATOM 601 CA SER A 486 -5.223 -4.911 9.717 1.00 0.55 C ATOM 602 C SER A 486 -3.821 -5.379 9.344 1.00 0.49 C ATOM 603 O SER A 486 -3.061 -4.653 8.705 1.00 0.47 O ATOM 604 CB SER A 486 -5.171 -4.045 10.977 1.00 0.65 C ATOM 605 OG SER A 486 -6.328 -4.232 11.774 1.00 1.57 O ATOM 606 HA SER A 486 -5.624 -4.311 8.900 1.00 0.00 H ATOM 607 HB2 SER A 486 -5.105 -2.997 10.686 1.00 0.00 H ATOM 608 HB3 SER A 486 -4.290 -4.316 11.559 1.00 0.00 H ATOM 609 HG SER A 486 -6.268 -3.661 12.580 1.00 0.00 H ATOM 610 H SER A 486 -6.520 -6.215 10.859 1.00 0.00 H ATOM 611 N GLU A 487 -3.494 -6.604 9.746 1.00 0.49 N ATOM 612 CA GLU A 487 -2.196 -7.188 9.457 1.00 0.45 C ATOM 613 C GLU A 487 -2.236 -7.954 8.145 1.00 0.40 C ATOM 614 O GLU A 487 -1.344 -7.827 7.306 1.00 0.39 O ATOM 615 CB GLU A 487 -1.759 -8.117 10.593 1.00 0.51 C ATOM 616 CG GLU A 487 -2.162 -7.628 11.975 1.00 0.80 C ATOM 617 CD GLU A 487 -1.518 -8.429 13.090 1.00 0.86 C ATOM 618 OE1 GLU A 487 -0.529 -9.141 12.815 1.00 1.53 O ATOM 619 OE2 GLU A 487 -2.003 -8.345 14.238 1.00 1.28 O ATOM 620 HA GLU A 487 -1.471 -6.379 9.368 1.00 0.00 H ATOM 621 HB2 GLU A 487 -2.210 -9.096 10.430 1.00 0.00 H ATOM 622 HB3 GLU A 487 -0.673 -8.209 10.564 1.00 0.00 H ATOM 623 HG2 GLU A 487 -1.863 -6.585 12.077 1.00 0.00 H ATOM 624 HG3 GLU A 487 -3.245 -7.705 12.070 1.00 0.00 H ATOM 625 H GLU A 487 -4.189 -7.161 10.284 1.00 0.00 H ATOM 626 N GLN A 488 -3.286 -8.742 7.975 1.00 0.39 N ATOM 627 CA GLN A 488 -3.464 -9.529 6.764 1.00 0.37 C ATOM 628 C GLN A 488 -3.619 -8.609 5.562 1.00 0.33 C ATOM 629 O GLN A 488 -3.028 -8.844 4.508 1.00 0.31 O ATOM 630 CB GLN A 488 -4.680 -10.448 6.887 1.00 0.40 C ATOM 631 CG GLN A 488 -4.316 -11.900 7.146 1.00 0.42 C ATOM 632 CD GLN A 488 -5.514 -12.740 7.544 1.00 0.54 C ATOM 633 OE1 GLN A 488 -5.437 -13.556 8.462 1.00 1.14 O ATOM 634 NE2 GLN A 488 -6.630 -12.543 6.852 1.00 0.84 N ATOM 635 HA GLN A 488 -2.580 -10.151 6.624 1.00 0.00 H ATOM 636 HB2 GLN A 488 -5.299 -10.094 7.712 1.00 0.00 H ATOM 637 HB3 GLN A 488 -5.249 -10.395 5.959 1.00 0.00 H ATOM 638 HG2 GLN A 488 -3.882 -12.319 6.238 1.00 0.00 H ATOM 639 HG3 GLN A 488 -3.580 -11.938 7.950 1.00 0.00 H ATOM 640 HE22 GLN A 488 -6.649 -11.842 6.084 1.00 0.00 H ATOM 641 HE21 GLN A 488 -7.485 -13.090 7.078 1.00 0.00 H ATOM 642 H GLN A 488 -4.002 -8.800 8.727 1.00 0.00 H ATOM 643 N THR A 489 -4.402 -7.543 5.732 1.00 0.33 N ATOM 644 CA THR A 489 -4.609 -6.575 4.660 1.00 0.33 C ATOM 645 C THR A 489 -3.263 -6.142 4.090 1.00 0.31 C ATOM 646 O THR A 489 -3.153 -5.795 2.916 1.00 0.34 O ATOM 647 CB THR A 489 -5.377 -5.356 5.174 1.00 0.37 C ATOM 648 OG1 THR A 489 -6.644 -5.738 5.681 1.00 0.40 O ATOM 649 CG2 THR A 489 -5.607 -4.303 4.111 1.00 0.41 C ATOM 650 HA THR A 489 -5.199 -7.046 3.874 1.00 0.00 H ATOM 651 HB THR A 489 -4.751 -4.929 5.957 1.00 0.00 H ATOM 652 HG1 THR A 489 -6.521 -6.377 6.427 1.00 0.00 H ATOM 653 HG23 THR A 489 -4.648 -3.988 3.700 1.00 0.00 H ATOM 654 HG21 THR A 489 -6.225 -4.720 3.316 1.00 0.00 H ATOM 655 HG22 THR A 489 -6.113 -3.446 4.554 1.00 0.00 H ATOM 656 H THR A 489 -4.875 -7.399 6.647 1.00 0.00 H ATOM 657 N VAL A 490 -2.240 -6.186 4.938 1.00 0.31 N ATOM 658 CA VAL A 490 -0.887 -5.822 4.532 1.00 0.30 C ATOM 659 C VAL A 490 -0.197 -7.017 3.893 1.00 0.28 C ATOM 660 O VAL A 490 0.494 -6.891 2.882 1.00 0.29 O ATOM 661 CB VAL A 490 -0.053 -5.347 5.732 1.00 0.32 C ATOM 662 CG1 VAL A 490 1.209 -4.640 5.267 1.00 0.35 C ATOM 663 CG2 VAL A 490 -0.883 -4.443 6.626 1.00 0.34 C ATOM 664 HA VAL A 490 -0.965 -5.006 3.814 1.00 0.00 H ATOM 665 HB VAL A 490 0.248 -6.220 6.311 1.00 0.00 H ATOM 666 HG11 VAL A 490 1.810 -5.327 4.671 1.00 0.00 H ATOM 667 HG12 VAL A 490 0.937 -3.774 4.663 1.00 0.00 H ATOM 668 HG13 VAL A 490 1.782 -4.314 6.135 1.00 0.00 H ATOM 669 HG21 VAL A 490 -1.214 -3.575 6.056 1.00 0.00 H ATOM 670 HG22 VAL A 490 -1.751 -4.992 6.990 1.00 0.00 H ATOM 671 HG23 VAL A 490 -0.278 -4.115 7.471 1.00 0.00 H ATOM 672 H VAL A 490 -2.409 -6.488 5.919 1.00 0.00 H ATOM 673 N ASN A 491 -0.409 -8.182 4.494 1.00 0.28 N ATOM 674 CA ASN A 491 0.165 -9.424 4.001 1.00 0.28 C ATOM 675 C ASN A 491 -0.273 -9.677 2.558 1.00 0.27 C ATOM 676 O ASN A 491 0.420 -10.350 1.795 1.00 0.28 O ATOM 677 CB ASN A 491 -0.269 -10.577 4.914 1.00 0.30 C ATOM 678 CG ASN A 491 -0.163 -11.940 4.254 1.00 0.35 C ATOM 679 OD1 ASN A 491 0.916 -12.365 3.843 1.00 0.38 O ATOM 680 ND2 ASN A 491 -1.294 -12.631 4.153 1.00 0.41 N ATOM 681 HA ASN A 491 1.253 -9.353 4.011 1.00 0.00 H ATOM 682 HB2 ASN A 491 0.363 -10.572 5.802 1.00 0.00 H ATOM 683 HB3 ASN A 491 -1.306 -10.414 5.207 1.00 0.00 H ATOM 684 HD22 ASN A 491 -2.183 -12.230 4.515 1.00 0.00 H ATOM 685 HD21 ASN A 491 -1.290 -13.573 3.712 1.00 0.00 H ATOM 686 H ASN A 491 -1.005 -8.207 5.346 1.00 0.00 H ATOM 687 N VAL A 492 -1.426 -9.125 2.197 1.00 0.27 N ATOM 688 CA VAL A 492 -1.965 -9.275 0.852 1.00 0.27 C ATOM 689 C VAL A 492 -1.726 -8.016 0.020 1.00 0.26 C ATOM 690 O VAL A 492 -1.866 -8.034 -1.199 1.00 0.28 O ATOM 691 CB VAL A 492 -3.476 -9.581 0.895 1.00 0.29 C ATOM 692 CG1 VAL A 492 -4.200 -8.549 1.747 1.00 0.30 C ATOM 693 CG2 VAL A 492 -4.063 -9.633 -0.510 1.00 0.31 C ATOM 694 HA VAL A 492 -1.445 -10.111 0.385 1.00 0.00 H ATOM 695 HB VAL A 492 -3.614 -10.562 1.349 1.00 0.00 H ATOM 696 HG11 VAL A 492 -3.802 -8.574 2.762 1.00 0.00 H ATOM 697 HG12 VAL A 492 -4.049 -7.557 1.320 1.00 0.00 H ATOM 698 HG13 VAL A 492 -5.265 -8.779 1.767 1.00 0.00 H ATOM 699 HG21 VAL A 492 -3.914 -8.671 -1.000 1.00 0.00 H ATOM 700 HG22 VAL A 492 -3.564 -10.415 -1.082 1.00 0.00 H ATOM 701 HG23 VAL A 492 -5.129 -9.850 -0.449 1.00 0.00 H ATOM 702 H VAL A 492 -1.960 -8.569 2.895 1.00 0.00 H ATOM 703 N LEU A 493 -1.366 -6.922 0.681 1.00 0.26 N ATOM 704 CA LEU A 493 -1.111 -5.672 -0.011 1.00 0.27 C ATOM 705 C LEU A 493 0.352 -5.585 -0.441 1.00 0.26 C ATOM 706 O LEU A 493 0.670 -5.059 -1.506 1.00 0.29 O ATOM 707 CB LEU A 493 -1.475 -4.482 0.888 1.00 0.31 C ATOM 708 CG LEU A 493 -1.388 -3.091 0.239 1.00 0.54 C ATOM 709 CD1 LEU A 493 -1.666 -3.147 -1.258 1.00 0.69 C ATOM 710 CD2 LEU A 493 -2.353 -2.129 0.915 1.00 0.99 C ATOM 711 HA LEU A 493 -1.735 -5.639 -0.904 1.00 0.00 H ATOM 712 HB2 LEU A 493 -2.499 -4.626 1.232 1.00 0.00 H ATOM 713 HB3 LEU A 493 -0.801 -4.493 1.744 1.00 0.00 H ATOM 714 HG LEU A 493 -0.368 -2.730 0.374 1.00 0.00 H ATOM 715 HD21 LEU A 493 -3.371 -2.506 0.813 1.00 0.00 H ATOM 716 HD22 LEU A 493 -2.099 -2.045 1.972 1.00 0.00 H ATOM 717 HD23 LEU A 493 -2.278 -1.149 0.443 1.00 0.00 H ATOM 718 HD11 LEU A 493 -0.934 -3.796 -1.738 1.00 0.00 H ATOM 719 HD12 LEU A 493 -2.668 -3.542 -1.426 1.00 0.00 H ATOM 720 HD13 LEU A 493 -1.594 -2.143 -1.677 1.00 0.00 H ATOM 721 H LEU A 493 -1.265 -6.962 1.715 1.00 0.00 H ATOM 722 N ALA A 494 1.237 -6.115 0.396 1.00 0.25 N ATOM 723 CA ALA A 494 2.667 -6.106 0.108 1.00 0.26 C ATOM 724 C ALA A 494 2.966 -6.766 -1.233 1.00 0.25 C ATOM 725 O ALA A 494 3.797 -6.286 -2.004 1.00 0.28 O ATOM 726 CB ALA A 494 3.424 -6.819 1.219 1.00 0.29 C ATOM 727 HA ALA A 494 2.995 -5.068 0.053 1.00 0.00 H ATOM 728 HB1 ALA A 494 3.244 -6.309 2.165 1.00 0.00 H ATOM 729 HB2 ALA A 494 3.077 -7.850 1.289 1.00 0.00 H ATOM 730 HB3 ALA A 494 4.491 -6.807 0.996 1.00 0.00 H ATOM 731 H ALA A 494 0.901 -6.548 1.280 1.00 0.00 H ATOM 732 N GLN A 495 2.291 -7.879 -1.494 1.00 0.24 N ATOM 733 CA GLN A 495 2.481 -8.628 -2.723 1.00 0.25 C ATOM 734 C GLN A 495 2.062 -7.831 -3.957 1.00 0.23 C ATOM 735 O GLN A 495 2.696 -7.919 -5.007 1.00 0.23 O ATOM 736 CB GLN A 495 1.695 -9.935 -2.659 1.00 0.28 C ATOM 737 CG GLN A 495 0.347 -9.806 -1.985 1.00 0.31 C ATOM 738 CD GLN A 495 -0.789 -10.341 -2.834 1.00 0.40 C ATOM 739 OE1 GLN A 495 -0.792 -11.508 -3.227 1.00 0.83 O ATOM 740 NE2 GLN A 495 -1.760 -9.486 -3.120 1.00 0.38 N ATOM 741 HA GLN A 495 3.546 -8.838 -2.816 1.00 0.00 H ATOM 742 HB2 GLN A 495 1.538 -10.292 -3.677 1.00 0.00 H ATOM 743 HB3 GLN A 495 2.287 -10.665 -2.107 1.00 0.00 H ATOM 744 HG2 GLN A 495 0.372 -10.361 -1.047 1.00 0.00 H ATOM 745 HG3 GLN A 495 0.161 -8.752 -1.778 1.00 0.00 H ATOM 746 HE22 GLN A 495 -1.714 -8.509 -2.765 1.00 0.00 H ATOM 747 HE21 GLN A 495 -2.568 -9.792 -3.699 1.00 0.00 H ATOM 748 H GLN A 495 1.603 -8.226 -0.795 1.00 0.00 H ATOM 749 N ILE A 496 0.978 -7.077 -3.836 1.00 0.23 N ATOM 750 CA ILE A 496 0.465 -6.296 -4.954 1.00 0.23 C ATOM 751 C ILE A 496 1.231 -4.985 -5.168 1.00 0.24 C ATOM 752 O ILE A 496 1.317 -4.489 -6.292 1.00 0.31 O ATOM 753 CB ILE A 496 -1.031 -5.974 -4.773 1.00 0.26 C ATOM 754 CG1 ILE A 496 -1.880 -7.207 -5.079 1.00 0.26 C ATOM 755 CG2 ILE A 496 -1.434 -4.821 -5.676 1.00 0.27 C ATOM 756 CD1 ILE A 496 -3.150 -7.284 -4.259 1.00 0.31 C ATOM 757 HA ILE A 496 0.606 -6.921 -5.836 1.00 0.00 H ATOM 758 HB ILE A 496 -1.201 -5.682 -3.737 1.00 0.00 H ATOM 759 HG12 ILE A 496 -2.151 -7.186 -6.135 1.00 0.00 H ATOM 760 HG13 ILE A 496 -1.283 -8.096 -4.876 1.00 0.00 H ATOM 761 HD11 ILE A 496 -2.896 -7.317 -3.200 1.00 0.00 H ATOM 762 HD12 ILE A 496 -3.764 -6.406 -4.459 1.00 0.00 H ATOM 763 HD13 ILE A 496 -3.702 -8.184 -4.530 1.00 0.00 H ATOM 764 HG21 ILE A 496 -0.846 -3.939 -5.422 1.00 0.00 H ATOM 765 HG22 ILE A 496 -1.251 -5.094 -6.715 1.00 0.00 H ATOM 766 HG23 ILE A 496 -2.493 -4.605 -5.537 1.00 0.00 H ATOM 767 H ILE A 496 0.483 -7.042 -2.922 1.00 0.00 H ATOM 768 N LEU A 497 1.760 -4.410 -4.098 1.00 0.25 N ATOM 769 CA LEU A 497 2.485 -3.146 -4.191 1.00 0.26 C ATOM 770 C LEU A 497 3.547 -3.172 -5.295 1.00 0.24 C ATOM 771 O LEU A 497 3.582 -2.292 -6.155 1.00 0.26 O ATOM 772 CB LEU A 497 3.140 -2.822 -2.848 1.00 0.28 C ATOM 773 CG LEU A 497 2.420 -1.774 -1.995 1.00 0.31 C ATOM 774 CD1 LEU A 497 2.098 -0.520 -2.799 1.00 0.28 C ATOM 775 CD2 LEU A 497 1.156 -2.360 -1.400 1.00 0.57 C ATOM 776 HA LEU A 497 1.763 -2.371 -4.447 1.00 0.00 H ATOM 777 HB2 LEU A 497 3.195 -3.745 -2.270 1.00 0.00 H ATOM 778 HB3 LEU A 497 4.148 -2.458 -3.046 1.00 0.00 H ATOM 779 HG LEU A 497 3.092 -1.484 -1.187 1.00 0.00 H ATOM 780 HD21 LEU A 497 0.494 -2.683 -2.203 1.00 0.00 H ATOM 781 HD22 LEU A 497 1.413 -3.214 -0.774 1.00 0.00 H ATOM 782 HD23 LEU A 497 0.655 -1.603 -0.796 1.00 0.00 H ATOM 783 HD11 LEU A 497 3.023 -0.082 -3.174 1.00 0.00 H ATOM 784 HD12 LEU A 497 1.454 -0.783 -3.638 1.00 0.00 H ATOM 785 HD13 LEU A 497 1.588 0.199 -2.159 1.00 0.00 H ATOM 786 H LEU A 497 1.656 -4.869 -3.171 1.00 0.00 H ATOM 787 N LYS A 498 4.428 -4.164 -5.243 1.00 0.26 N ATOM 788 CA LYS A 498 5.515 -4.284 -6.216 1.00 0.26 C ATOM 789 C LYS A 498 5.005 -4.423 -7.647 1.00 0.26 C ATOM 790 O LYS A 498 5.669 -3.994 -8.591 1.00 0.27 O ATOM 791 CB LYS A 498 6.419 -5.466 -5.864 1.00 0.29 C ATOM 792 CG LYS A 498 5.696 -6.804 -5.820 1.00 0.41 C ATOM 793 CD LYS A 498 5.211 -7.150 -4.418 1.00 0.26 C ATOM 794 CE LYS A 498 6.330 -7.051 -3.385 1.00 0.33 C ATOM 795 NZ LYS A 498 6.122 -7.996 -2.254 1.00 0.79 N ATOM 796 HA LYS A 498 6.089 -3.359 -6.165 1.00 0.00 H ATOM 797 HB2 LYS A 498 7.210 -5.528 -6.611 1.00 0.00 H ATOM 798 HB3 LYS A 498 6.860 -5.281 -4.884 1.00 0.00 H ATOM 799 HG2 LYS A 498 4.836 -6.761 -6.489 1.00 0.00 H ATOM 800 HG3 LYS A 498 6.379 -7.584 -6.158 1.00 0.00 H ATOM 801 HD2 LYS A 498 4.414 -6.460 -4.141 1.00 0.00 H ATOM 802 HD3 LYS A 498 4.823 -8.169 -4.421 1.00 0.00 H ATOM 803 HE2 LYS A 498 6.361 -6.034 -2.994 1.00 0.00 H ATOM 804 HE3 LYS A 498 7.279 -7.282 -3.869 1.00 0.00 H ATOM 805 HZ1 LYS A 498 5.221 -7.778 -1.783 1.00 0.00 H ATOM 806 HZ2 LYS A 498 6.097 -8.970 -2.618 1.00 0.00 H ATOM 807 HZ3 LYS A 498 6.903 -7.898 -1.574 1.00 0.00 H ATOM 808 H LYS A 498 4.343 -4.876 -4.490 1.00 0.00 H ATOM 809 N ARG A 499 3.831 -5.012 -7.808 1.00 0.28 N ATOM 810 CA ARG A 499 3.251 -5.188 -9.140 1.00 0.31 C ATOM 811 C ARG A 499 3.034 -3.836 -9.810 1.00 0.29 C ATOM 812 O ARG A 499 2.946 -3.742 -11.034 1.00 0.33 O ATOM 813 CB ARG A 499 1.915 -5.938 -9.077 1.00 0.36 C ATOM 814 CG ARG A 499 1.824 -6.956 -7.956 1.00 0.91 C ATOM 815 CD ARG A 499 2.967 -7.948 -8.007 1.00 0.83 C ATOM 816 NE ARG A 499 2.885 -8.821 -9.175 1.00 1.32 N ATOM 817 CZ ARG A 499 3.842 -9.675 -9.531 1.00 1.71 C ATOM 818 NH1 ARG A 499 4.953 -9.774 -8.811 1.00 2.05 N ATOM 819 NH2 ARG A 499 3.688 -10.432 -10.608 1.00 2.41 N ATOM 820 HA ARG A 499 3.956 -5.780 -9.724 1.00 0.00 H ATOM 821 HB2 ARG A 499 1.118 -5.207 -8.940 1.00 0.00 H ATOM 822 HB3 ARG A 499 1.770 -6.458 -10.024 1.00 0.00 H ATOM 823 HG2 ARG A 499 1.852 -6.433 -7.000 1.00 0.00 H ATOM 824 HG3 ARG A 499 0.882 -7.497 -8.045 1.00 0.00 H ATOM 825 HD2 ARG A 499 2.941 -8.562 -7.107 1.00 0.00 H ATOM 826 HD3 ARG A 499 3.908 -7.399 -8.044 1.00 0.00 H ATOM 827 HE ARG A 499 2.029 -8.773 -9.763 1.00 0.00 H ATOM 828 HH12 ARG A 499 5.698 -10.443 -9.093 1.00 0.00 H ATOM 829 HH11 ARG A 499 5.079 -9.183 -7.965 1.00 0.00 H ATOM 830 HH22 ARG A 499 4.436 -11.099 -10.886 1.00 0.00 H ATOM 831 HH21 ARG A 499 2.819 -10.359 -11.175 1.00 0.00 H ATOM 832 H ARG A 499 3.312 -5.355 -6.975 1.00 0.00 H ATOM 833 N LEU A 500 2.934 -2.796 -8.992 1.00 0.26 N ATOM 834 CA LEU A 500 2.710 -1.446 -9.487 1.00 0.27 C ATOM 835 C LEU A 500 3.839 -0.981 -10.392 1.00 0.28 C ATOM 836 O LEU A 500 3.602 -0.441 -11.473 1.00 0.34 O ATOM 837 CB LEU A 500 2.554 -0.486 -8.309 1.00 0.26 C ATOM 838 CG LEU A 500 1.428 -0.844 -7.337 1.00 0.26 C ATOM 839 CD1 LEU A 500 1.434 0.092 -6.138 1.00 0.29 C ATOM 840 CD2 LEU A 500 0.082 -0.805 -8.044 1.00 0.31 C ATOM 841 HA LEU A 500 1.796 -1.454 -10.080 1.00 0.00 H ATOM 842 HB2 LEU A 500 3.492 -0.475 -7.753 1.00 0.00 H ATOM 843 HB3 LEU A 500 2.356 0.510 -8.706 1.00 0.00 H ATOM 844 HG LEU A 500 1.596 -1.858 -6.975 1.00 0.00 H ATOM 845 HD21 LEU A 500 -0.092 0.197 -8.435 1.00 0.00 H ATOM 846 HD22 LEU A 500 0.083 -1.522 -8.865 1.00 0.00 H ATOM 847 HD23 LEU A 500 -0.706 -1.062 -7.336 1.00 0.00 H ATOM 848 HD11 LEU A 500 2.388 0.008 -5.618 1.00 0.00 H ATOM 849 HD12 LEU A 500 1.293 1.118 -6.479 1.00 0.00 H ATOM 850 HD13 LEU A 500 0.625 -0.182 -5.461 1.00 0.00 H ATOM 851 H LEU A 500 3.018 -2.950 -7.967 1.00 0.00 H ATOM 852 N ASN A 501 5.064 -1.181 -9.940 1.00 0.26 N ATOM 853 CA ASN A 501 6.234 -0.773 -10.699 1.00 0.28 C ATOM 854 C ASN A 501 6.155 0.718 -11.022 1.00 0.28 C ATOM 855 O ASN A 501 6.209 1.121 -12.183 1.00 0.32 O ATOM 856 CB ASN A 501 6.336 -1.603 -11.979 1.00 0.35 C ATOM 857 CG ASN A 501 7.483 -1.179 -12.869 1.00 0.40 C ATOM 858 OD1 ASN A 501 7.318 -0.361 -13.775 1.00 0.61 O ATOM 859 ND2 ASN A 501 8.655 -1.743 -12.617 1.00 0.53 N ATOM 860 HA ASN A 501 7.130 -0.946 -10.102 1.00 0.00 H ATOM 861 HB2 ASN A 501 6.477 -2.649 -11.705 1.00 0.00 H ATOM 862 HB3 ASN A 501 5.406 -1.497 -12.537 1.00 0.00 H ATOM 863 HD22 ASN A 501 8.746 -2.429 -11.841 1.00 0.00 H ATOM 864 HD21 ASN A 501 9.484 -1.500 -13.196 1.00 0.00 H ATOM 865 H ASN A 501 5.194 -1.642 -9.017 1.00 0.00 H ATOM 866 N PRO A 502 6.019 1.559 -9.982 1.00 0.24 N ATOM 867 CA PRO A 502 5.926 2.996 -10.112 1.00 0.25 C ATOM 868 C PRO A 502 7.257 3.668 -9.828 1.00 0.25 C ATOM 869 O PRO A 502 8.309 3.029 -9.865 1.00 0.26 O ATOM 870 CB PRO A 502 4.911 3.345 -9.018 1.00 0.22 C ATOM 871 CG PRO A 502 5.001 2.233 -8.009 1.00 0.20 C ATOM 872 CD PRO A 502 5.944 1.195 -8.569 1.00 0.21 C ATOM 873 HA PRO A 502 5.644 3.323 -11.113 1.00 0.00 H ATOM 874 HD3 PRO A 502 6.923 1.256 -8.094 1.00 0.00 H ATOM 875 HD2 PRO A 502 5.543 0.190 -8.442 1.00 0.00 H ATOM 876 HG3 PRO A 502 4.016 1.795 -7.848 1.00 0.00 H ATOM 877 HG2 PRO A 502 5.386 2.616 -7.064 1.00 0.00 H ATOM 878 HB2 PRO A 502 5.163 4.299 -8.556 1.00 0.00 H ATOM 879 HB3 PRO A 502 3.906 3.399 -9.435 1.00 0.00 H ATOM 880 N GLU A 503 7.205 4.952 -9.524 1.00 0.26 N ATOM 881 CA GLU A 503 8.394 5.706 -9.211 1.00 0.28 C ATOM 882 C GLU A 503 8.301 6.248 -7.793 1.00 0.27 C ATOM 883 O GLU A 503 7.230 6.660 -7.349 1.00 0.26 O ATOM 884 CB GLU A 503 8.578 6.837 -10.213 1.00 0.32 C ATOM 885 CG GLU A 503 9.644 6.545 -11.254 1.00 0.37 C ATOM 886 CD GLU A 503 10.884 7.399 -11.077 1.00 0.41 C ATOM 887 OE1 GLU A 503 11.293 7.619 -9.917 1.00 1.17 O ATOM 888 OE2 GLU A 503 11.447 7.848 -12.098 1.00 1.15 O ATOM 889 HA GLU A 503 9.263 5.051 -9.276 1.00 0.00 H ATOM 890 HB2 GLU A 503 7.630 7.005 -10.725 1.00 0.00 H ATOM 891 HB3 GLU A 503 8.861 7.739 -9.670 1.00 0.00 H ATOM 892 HG2 GLU A 503 9.929 5.496 -11.177 1.00 0.00 H ATOM 893 HG3 GLU A 503 9.227 6.735 -12.243 1.00 0.00 H ATOM 894 H GLU A 503 6.283 5.432 -9.510 1.00 0.00 H ATOM 895 N ARG A 504 9.415 6.230 -7.078 1.00 0.29 N ATOM 896 CA ARG A 504 9.429 6.705 -5.705 1.00 0.30 C ATOM 897 C ARG A 504 9.492 8.224 -5.642 1.00 0.32 C ATOM 898 O ARG A 504 10.273 8.863 -6.347 1.00 0.36 O ATOM 899 CB ARG A 504 10.597 6.095 -4.938 1.00 0.33 C ATOM 900 CG ARG A 504 11.961 6.482 -5.489 1.00 0.38 C ATOM 901 CD ARG A 504 12.895 6.957 -4.388 1.00 0.96 C ATOM 902 NE ARG A 504 14.006 7.747 -4.915 1.00 1.28 N ATOM 903 CZ ARG A 504 14.915 8.348 -4.151 1.00 1.86 C ATOM 904 NH1 ARG A 504 14.849 8.254 -2.829 1.00 2.50 N ATOM 905 NH2 ARG A 504 15.893 9.047 -4.711 1.00 2.45 N ATOM 906 HA ARG A 504 8.497 6.388 -5.237 1.00 0.00 H ATOM 907 HB2 ARG A 504 10.538 6.426 -3.901 1.00 0.00 H ATOM 908 HB3 ARG A 504 10.505 5.010 -4.977 1.00 0.00 H ATOM 909 HG2 ARG A 504 12.404 5.615 -5.979 1.00 0.00 H ATOM 910 HG3 ARG A 504 11.834 7.284 -6.216 1.00 0.00 H ATOM 911 HD2 ARG A 504 13.297 6.088 -3.868 1.00 0.00 H ATOM 912 HD3 ARG A 504 12.329 7.570 -3.686 1.00 0.00 H ATOM 913 HE ARG A 504 14.091 7.845 -5.947 1.00 0.00 H ATOM 914 HH12 ARG A 504 15.563 8.726 -2.238 1.00 0.00 H ATOM 915 HH11 ARG A 504 14.084 7.708 -2.384 1.00 0.00 H ATOM 916 HH22 ARG A 504 16.604 9.517 -4.115 1.00 0.00 H ATOM 917 HH21 ARG A 504 15.949 9.125 -5.747 1.00 0.00 H ATOM 918 H ARG A 504 10.293 5.871 -7.505 1.00 0.00 H ATOM 919 N LYS A 505 8.655 8.786 -4.783 1.00 0.32 N ATOM 920 CA LYS A 505 8.580 10.229 -4.591 1.00 0.36 C ATOM 921 C LYS A 505 8.018 10.535 -3.210 1.00 0.35 C ATOM 922 O LYS A 505 7.380 9.683 -2.594 1.00 0.44 O ATOM 923 CB LYS A 505 7.701 10.879 -5.664 1.00 0.37 C ATOM 924 CG LYS A 505 7.834 10.244 -7.039 1.00 0.39 C ATOM 925 CD LYS A 505 6.899 10.894 -8.045 1.00 0.62 C ATOM 926 CE LYS A 505 5.452 10.498 -7.797 1.00 0.47 C ATOM 927 NZ LYS A 505 4.501 11.384 -8.524 1.00 0.78 N ATOM 928 HA LYS A 505 9.586 10.640 -4.676 1.00 0.00 H ATOM 929 HB2 LYS A 505 6.660 10.801 -5.349 1.00 0.00 H ATOM 930 HB3 LYS A 505 7.977 11.930 -5.743 1.00 0.00 H ATOM 931 HG2 LYS A 505 8.861 10.358 -7.384 1.00 0.00 H ATOM 932 HG3 LYS A 505 7.593 9.184 -6.965 1.00 0.00 H ATOM 933 HD2 LYS A 505 6.989 11.977 -7.964 1.00 0.00 H ATOM 934 HD3 LYS A 505 7.185 10.581 -9.049 1.00 0.00 H ATOM 935 HE2 LYS A 505 5.247 10.562 -6.728 1.00 0.00 H ATOM 936 HE3 LYS A 505 5.305 9.472 -8.133 1.00 0.00 H ATOM 937 HZ1 LYS A 505 4.630 12.365 -8.204 1.00 0.00 H ATOM 938 HZ2 LYS A 505 4.685 11.324 -9.546 1.00 0.00 H ATOM 939 HZ3 LYS A 505 3.526 11.079 -8.328 1.00 0.00 H ATOM 940 H LYS A 505 8.027 8.174 -4.224 1.00 0.00 H ATOM 941 N MET A 506 8.255 11.745 -2.720 1.00 0.36 N ATOM 942 CA MET A 506 7.761 12.127 -1.405 1.00 0.36 C ATOM 943 C MET A 506 6.562 13.065 -1.505 1.00 0.36 C ATOM 944 O MET A 506 6.699 14.227 -1.889 1.00 0.39 O ATOM 945 CB MET A 506 8.871 12.784 -0.583 1.00 0.41 C ATOM 946 CG MET A 506 9.604 13.895 -1.316 1.00 0.48 C ATOM 947 SD MET A 506 10.218 15.175 -0.201 1.00 0.62 S ATOM 948 CE MET A 506 10.686 14.196 1.226 1.00 0.50 C ATOM 949 HA MET A 506 7.436 11.216 -0.902 1.00 0.00 H ATOM 950 HB2 MET A 506 8.428 13.203 0.320 1.00 0.00 H ATOM 951 HB3 MET A 506 9.595 12.017 -0.309 1.00 0.00 H ATOM 952 HG2 MET A 506 8.920 14.353 -2.031 1.00 0.00 H ATOM 953 HG3 MET A 506 10.450 13.462 -1.851 1.00 0.00 H ATOM 954 HE1 MET A 506 9.810 13.671 1.608 1.00 0.00 H ATOM 955 HE2 MET A 506 11.447 13.472 0.935 1.00 0.00 H ATOM 956 HE3 MET A 506 11.084 14.852 2.000 1.00 0.00 H ATOM 957 H MET A 506 8.800 12.429 -3.282 1.00 0.00 H ATOM 958 N ILE A 507 5.390 12.557 -1.137 1.00 0.33 N ATOM 959 CA ILE A 507 4.169 13.351 -1.164 1.00 0.35 C ATOM 960 C ILE A 507 3.967 14.039 0.185 1.00 0.37 C ATOM 961 O ILE A 507 3.689 13.385 1.190 1.00 0.37 O ATOM 962 CB ILE A 507 2.921 12.482 -1.486 1.00 0.34 C ATOM 963 CG1 ILE A 507 2.884 12.043 -2.963 1.00 0.33 C ATOM 964 CG2 ILE A 507 1.646 13.238 -1.141 1.00 0.38 C ATOM 965 CD1 ILE A 507 3.831 12.803 -3.868 1.00 0.37 C ATOM 966 HA ILE A 507 4.279 14.094 -1.954 1.00 0.00 H ATOM 967 HB ILE A 507 2.990 11.583 -0.874 1.00 0.00 H ATOM 968 HG12 ILE A 507 3.143 10.985 -3.011 1.00 0.00 H ATOM 969 HG13 ILE A 507 1.869 12.185 -3.335 1.00 0.00 H ATOM 970 HD11 ILE A 507 3.580 13.864 -3.845 1.00 0.00 H ATOM 971 HD12 ILE A 507 4.855 12.663 -3.521 1.00 0.00 H ATOM 972 HD13 ILE A 507 3.737 12.428 -4.887 1.00 0.00 H ATOM 973 HG21 ILE A 507 1.646 13.481 -0.079 1.00 0.00 H ATOM 974 HG22 ILE A 507 1.600 14.157 -1.726 1.00 0.00 H ATOM 975 HG23 ILE A 507 0.782 12.615 -1.373 1.00 0.00 H ATOM 976 H ILE A 507 5.344 11.567 -0.822 1.00 0.00 H ATOM 977 N ASN A 508 4.110 15.360 0.200 1.00 0.41 N ATOM 978 CA ASN A 508 3.946 16.130 1.427 1.00 0.44 C ATOM 979 C ASN A 508 4.935 15.668 2.494 1.00 0.44 C ATOM 980 O ASN A 508 4.575 15.501 3.659 1.00 0.46 O ATOM 981 CB ASN A 508 2.513 15.998 1.948 1.00 0.47 C ATOM 982 CG ASN A 508 2.070 17.217 2.733 1.00 0.80 C ATOM 983 OD1 ASN A 508 2.500 18.337 2.458 1.00 1.40 O ATOM 984 ND2 ASN A 508 1.205 17.004 3.718 1.00 1.40 N ATOM 985 HA ASN A 508 4.147 17.177 1.201 1.00 0.00 H ATOM 986 HB2 ASN A 508 1.842 15.865 1.099 1.00 0.00 H ATOM 987 HB3 ASN A 508 2.455 15.124 2.596 1.00 0.00 H ATOM 988 HD22 ASN A 508 0.868 16.040 3.915 1.00 0.00 H ATOM 989 HD21 ASN A 508 0.864 17.801 4.292 1.00 0.00 H ATOM 990 H ASN A 508 4.344 15.856 -0.684 1.00 0.00 H ATOM 991 N ASP A 509 6.185 15.463 2.085 1.00 0.43 N ATOM 992 CA ASP A 509 7.233 15.019 3.000 1.00 0.45 C ATOM 993 C ASP A 509 7.041 13.556 3.401 1.00 0.43 C ATOM 994 O ASP A 509 7.677 13.075 4.339 1.00 0.46 O ATOM 995 CB ASP A 509 7.262 15.901 4.251 1.00 0.48 C ATOM 996 CG ASP A 509 8.673 16.177 4.732 1.00 0.86 C ATOM 997 OD1 ASP A 509 9.311 17.108 4.197 1.00 1.37 O ATOM 998 OD2 ASP A 509 9.140 15.462 5.644 1.00 1.66 O ATOM 999 HA ASP A 509 8.185 15.108 2.477 1.00 0.00 H ATOM 1000 HB2 ASP A 509 6.778 16.850 4.021 1.00 0.00 H ATOM 1001 HB3 ASP A 509 6.713 15.398 5.047 1.00 0.00 H ATOM 1002 H ASP A 509 6.422 15.624 1.085 1.00 0.00 H ATOM 1003 N LYS A 510 6.166 12.852 2.687 1.00 0.40 N ATOM 1004 CA LYS A 510 5.903 11.446 2.974 1.00 0.39 C ATOM 1005 C LYS A 510 6.322 10.566 1.805 1.00 0.38 C ATOM 1006 O LYS A 510 5.998 10.857 0.655 1.00 0.37 O ATOM 1007 CB LYS A 510 4.420 11.227 3.269 1.00 0.38 C ATOM 1008 CG LYS A 510 4.135 9.901 3.954 1.00 0.40 C ATOM 1009 CD LYS A 510 4.120 10.045 5.468 1.00 0.45 C ATOM 1010 CE LYS A 510 5.437 10.595 5.992 1.00 0.47 C ATOM 1011 NZ LYS A 510 5.450 10.687 7.478 1.00 1.25 N ATOM 1012 HA LYS A 510 6.489 11.171 3.851 1.00 0.00 H ATOM 1013 HB2 LYS A 510 4.072 12.033 3.915 1.00 0.00 H ATOM 1014 HB3 LYS A 510 3.871 11.256 2.328 1.00 0.00 H ATOM 1015 HG2 LYS A 510 3.163 9.533 3.624 1.00 0.00 H ATOM 1016 HG3 LYS A 510 4.907 9.185 3.674 1.00 0.00 H ATOM 1017 HD2 LYS A 510 3.315 10.724 5.751 1.00 0.00 H ATOM 1018 HD3 LYS A 510 3.942 9.067 5.915 1.00 0.00 H ATOM 1019 HE2 LYS A 510 5.594 11.590 5.576 1.00 0.00 H ATOM 1020 HE3 LYS A 510 6.246 9.937 5.673 1.00 0.00 H ATOM 1021 HZ1 LYS A 510 4.685 11.318 7.792 1.00 0.00 H ATOM 1022 HZ2 LYS A 510 5.308 9.740 7.884 1.00 0.00 H ATOM 1023 HZ3 LYS A 510 6.366 11.067 7.793 1.00 0.00 H ATOM 1024 H LYS A 510 5.658 13.315 1.906 1.00 0.00 H ATOM 1025 N MET A 511 7.040 9.486 2.098 1.00 0.40 N ATOM 1026 CA MET A 511 7.490 8.579 1.051 1.00 0.40 C ATOM 1027 C MET A 511 6.300 7.919 0.359 1.00 0.36 C ATOM 1028 O MET A 511 5.627 7.063 0.933 1.00 0.36 O ATOM 1029 CB MET A 511 8.417 7.510 1.636 1.00 0.44 C ATOM 1030 CG MET A 511 9.893 7.800 1.417 1.00 0.90 C ATOM 1031 SD MET A 511 10.547 6.995 -0.058 1.00 1.13 S ATOM 1032 CE MET A 511 9.473 7.675 -1.320 1.00 0.89 C ATOM 1033 HA MET A 511 8.042 9.159 0.311 1.00 0.00 H ATOM 1034 HB2 MET A 511 8.234 7.444 2.708 1.00 0.00 H ATOM 1035 HB3 MET A 511 8.180 6.554 1.168 1.00 0.00 H ATOM 1036 HG2 MET A 511 10.451 7.447 2.284 1.00 0.00 H ATOM 1037 HG3 MET A 511 10.026 8.877 1.315 1.00 0.00 H ATOM 1038 HE1 MET A 511 8.440 7.407 -1.099 1.00 0.00 H ATOM 1039 HE2 MET A 511 9.573 8.760 -1.335 1.00 0.00 H ATOM 1040 HE3 MET A 511 9.755 7.270 -2.292 1.00 0.00 H ATOM 1041 H MET A 511 7.284 9.286 3.089 1.00 0.00 H ATOM 1042 N HIS A 512 6.056 8.326 -0.880 1.00 0.34 N ATOM 1043 CA HIS A 512 4.962 7.793 -1.674 1.00 0.32 C ATOM 1044 C HIS A 512 5.475 7.196 -2.983 1.00 0.32 C ATOM 1045 O HIS A 512 6.140 7.877 -3.763 1.00 0.45 O ATOM 1046 CB HIS A 512 3.958 8.899 -2.002 1.00 0.34 C ATOM 1047 CG HIS A 512 2.977 9.203 -0.912 1.00 0.61 C ATOM 1048 ND1 HIS A 512 3.350 9.607 0.353 1.00 1.40 N ATOM 1049 CD2 HIS A 512 1.624 9.199 -0.919 1.00 1.39 C ATOM 1050 CE1 HIS A 512 2.266 9.839 1.075 1.00 1.55 C ATOM 1051 NE2 HIS A 512 1.208 9.597 0.326 1.00 1.51 N ATOM 1052 HA HIS A 512 4.479 7.012 -1.087 1.00 0.00 H ATOM 1053 HB2 HIS A 512 4.516 9.810 -2.220 1.00 0.00 H ATOM 1054 HB3 HIS A 512 3.398 8.597 -2.887 1.00 0.00 H ATOM 1055 HD2 HIS A 512 0.983 8.929 -1.759 1.00 0.00 H ATOM 1056 HE1 HIS A 512 2.250 10.173 2.112 1.00 0.00 H ATOM 1057 H HIS A 512 6.670 9.053 -1.298 1.00 0.00 H ATOM 1058 N PHE A 513 5.146 5.936 -3.234 1.00 0.25 N ATOM 1059 CA PHE A 513 5.555 5.272 -4.464 1.00 0.25 C ATOM 1060 C PHE A 513 4.356 5.130 -5.397 1.00 0.25 C ATOM 1061 O PHE A 513 3.331 4.570 -5.012 1.00 0.30 O ATOM 1062 CB PHE A 513 6.162 3.898 -4.158 1.00 0.31 C ATOM 1063 CG PHE A 513 5.988 3.447 -2.732 1.00 0.28 C ATOM 1064 CD1 PHE A 513 4.801 2.871 -2.310 1.00 1.22 C ATOM 1065 CD2 PHE A 513 7.015 3.602 -1.815 1.00 1.21 C ATOM 1066 CE1 PHE A 513 4.641 2.458 -1.002 1.00 1.25 C ATOM 1067 CE2 PHE A 513 6.861 3.191 -0.505 1.00 1.27 C ATOM 1068 CZ PHE A 513 5.672 2.618 -0.098 1.00 0.54 C ATOM 1069 HA PHE A 513 6.316 5.878 -4.955 1.00 0.00 H ATOM 1070 HB2 PHE A 513 5.689 3.163 -4.809 1.00 0.00 H ATOM 1071 HB3 PHE A 513 7.229 3.940 -4.375 1.00 0.00 H ATOM 1072 HD2 PHE A 513 7.955 4.053 -2.131 1.00 0.00 H ATOM 1073 HE2 PHE A 513 7.677 3.319 0.206 1.00 0.00 H ATOM 1074 HZ PHE A 513 5.548 2.293 0.935 1.00 0.00 H ATOM 1075 HE1 PHE A 513 3.702 2.006 -0.684 1.00 0.00 H ATOM 1076 HD1 PHE A 513 3.983 2.742 -3.019 1.00 0.00 H ATOM 1077 H PHE A 513 4.583 5.410 -2.536 1.00 0.00 H ATOM 1078 N SER A 514 4.471 5.656 -6.616 1.00 0.25 N ATOM 1079 CA SER A 514 3.368 5.590 -7.569 1.00 0.28 C ATOM 1080 C SER A 514 3.718 6.263 -8.894 1.00 0.31 C ATOM 1081 O SER A 514 4.725 6.962 -9.007 1.00 0.34 O ATOM 1082 CB SER A 514 2.130 6.251 -6.969 1.00 0.36 C ATOM 1083 OG SER A 514 1.035 5.353 -6.938 1.00 0.54 O ATOM 1084 HA SER A 514 3.169 4.538 -7.773 1.00 0.00 H ATOM 1085 HB2 SER A 514 1.862 7.119 -7.572 1.00 0.00 H ATOM 1086 HB3 SER A 514 2.356 6.573 -5.952 1.00 0.00 H ATOM 1087 HG SER A 514 1.271 4.565 -6.387 1.00 0.00 H ATOM 1088 H SER A 514 5.360 6.120 -6.892 1.00 0.00 H ATOM 1089 N LEU A 515 2.858 6.056 -9.887 1.00 0.34 N ATOM 1090 CA LEU A 515 3.035 6.643 -11.204 1.00 0.40 C ATOM 1091 C LEU A 515 1.975 7.699 -11.455 1.00 0.41 C ATOM 1092 O LEU A 515 1.008 7.813 -10.702 1.00 0.38 O ATOM 1093 CB LEU A 515 2.983 5.584 -12.319 1.00 0.45 C ATOM 1094 CG LEU A 515 1.582 5.130 -12.748 1.00 0.47 C ATOM 1095 CD1 LEU A 515 1.655 3.879 -13.610 1.00 1.13 C ATOM 1096 CD2 LEU A 515 0.710 4.882 -11.538 1.00 1.52 C ATOM 1097 HA LEU A 515 4.024 7.102 -11.223 1.00 0.00 H ATOM 1098 HB2 LEU A 515 3.483 5.996 -13.195 1.00 0.00 H ATOM 1099 HB3 LEU A 515 3.527 4.706 -11.971 1.00 0.00 H ATOM 1100 HG LEU A 515 1.137 5.929 -13.342 1.00 0.00 H ATOM 1101 HD21 LEU A 515 1.160 4.105 -10.920 1.00 0.00 H ATOM 1102 HD22 LEU A 515 0.622 5.802 -10.960 1.00 0.00 H ATOM 1103 HD23 LEU A 515 -0.279 4.561 -11.864 1.00 0.00 H ATOM 1104 HD11 LEU A 515 2.244 4.088 -14.503 1.00 0.00 H ATOM 1105 HD12 LEU A 515 2.125 3.076 -13.043 1.00 0.00 H ATOM 1106 HD13 LEU A 515 0.648 3.580 -13.900 1.00 0.00 H ATOM 1107 H LEU A 515 2.029 5.452 -9.715 1.00 0.00 H ATOM 1108 N LYS A 516 2.146 8.459 -12.521 1.00 0.48 N ATOM 1109 CA LYS A 516 1.179 9.478 -12.861 1.00 0.51 C ATOM 1110 C LYS A 516 0.993 9.567 -14.367 1.00 0.56 C ATOM 1111 O LYS A 516 1.847 10.088 -15.085 1.00 0.66 O ATOM 1112 CB LYS A 516 1.580 10.832 -12.282 1.00 0.61 C ATOM 1113 CG LYS A 516 2.902 10.800 -11.554 1.00 0.65 C ATOM 1114 CD LYS A 516 4.047 10.588 -12.524 1.00 0.69 C ATOM 1115 CE LYS A 516 5.193 9.823 -11.880 1.00 0.68 C ATOM 1116 NZ LYS A 516 6.422 9.853 -12.720 1.00 1.18 N ATOM 1117 HA LYS A 516 0.225 9.194 -12.417 1.00 0.00 H ATOM 1118 HB2 LYS A 516 1.651 11.551 -13.098 1.00 0.00 H ATOM 1119 HB3 LYS A 516 0.807 11.153 -11.583 1.00 0.00 H ATOM 1120 HG2 LYS A 516 3.046 11.746 -11.033 1.00 0.00 H ATOM 1121 HG3 LYS A 516 2.892 9.985 -10.830 1.00 0.00 H ATOM 1122 HD2 LYS A 516 3.683 10.024 -13.383 1.00 0.00 H ATOM 1123 HD3 LYS A 516 4.413 11.559 -12.857 1.00 0.00 H ATOM 1124 HE2 LYS A 516 4.889 8.786 -11.737 1.00 0.00 H ATOM 1125 HE3 LYS A 516 5.416 10.271 -10.912 1.00 0.00 H ATOM 1126 HZ1 LYS A 516 6.220 9.421 -13.644 1.00 0.00 H ATOM 1127 HZ2 LYS A 516 6.724 10.839 -12.856 1.00 0.00 H ATOM 1128 HZ3 LYS A 516 7.178 9.320 -12.245 1.00 0.00 H ATOM 1129 H LYS A 516 2.984 8.323 -13.122 1.00 0.00 H ATOM 1130 N GLU A 517 -0.135 9.050 -14.835 1.00 0.53 N ATOM 1131 CA GLU A 517 -0.458 9.057 -16.249 1.00 0.60 C ATOM 1132 C GLU A 517 -0.601 10.484 -16.770 1.00 0.75 C ATOM 1133 O GLU A 517 -0.005 10.791 -17.824 1.00 1.48 O ATOM 1134 CB GLU A 517 -1.750 8.279 -16.485 1.00 0.68 C ATOM 1135 CG GLU A 517 -2.850 8.598 -15.483 1.00 1.72 C ATOM 1136 CD GLU A 517 -4.223 8.184 -15.975 1.00 2.71 C ATOM 1137 OE1 GLU A 517 -4.332 7.104 -16.593 1.00 3.33 O ATOM 1138 OE2 GLU A 517 -5.190 8.939 -15.742 1.00 3.33 O ATOM 1139 HA GLU A 517 0.357 8.579 -16.793 1.00 0.00 H ATOM 1140 OXT GLU A 517 -1.309 11.281 -16.120 1.00 1.18 O ATOM 1141 HB2 GLU A 517 -2.116 8.515 -17.484 1.00 0.00 H ATOM 1142 HB3 GLU A 517 -1.527 7.214 -16.423 1.00 0.00 H ATOM 1143 HG2 GLU A 517 -2.639 8.071 -14.552 1.00 0.00 H ATOM 1144 HG3 GLU A 517 -2.854 9.672 -15.298 1.00 0.00 H ATOM 1145 H GLU A 517 -0.810 8.626 -14.167 1.00 0.00 H TER 1146 GLU A 517 HETATM 1147 N GLU A 1 -2.721 -5.469 24.014 1.00 0.24 N HETATM 1148 CA GLU A 1 -1.465 -6.233 23.793 1.00 0.07 C HETATM 1149 C GLU A 1 -0.519 -5.480 22.863 1.00 0.23 C HETATM 1150 O GLU A 1 -0.855 -4.413 22.350 1.00 -0.39 O HETATM 1151 N GLU A 1 0.666 -6.044 22.651 1.00 -0.26 N HETATM 1152 CA GLU A 1 1.662 -5.426 21.783 1.00 0.14 C HETATM 1153 C GLU A 1 1.137 -5.298 20.357 1.00 0.21 C HETATM 1154 O GLU A 1 1.306 -6.202 19.539 1.00 -0.39 O HETATM 1155 N GLU A 1 0.502 -4.168 20.065 1.00 -0.26 N HETATM 1156 CA GLU A 1 -0.046 -3.919 18.737 1.00 0.16 C HETATM 1157 CB GLU A 1 -0.789 -2.579 18.711 1.00 0.13 C HETATM 1158 CG2 GLU A 1 -1.143 -2.110 17.312 1.00 -0.03 C HETATM 1159 H16 GLU A 1 -1.672 -1.147 17.371 1.00 0.03 H HETATM 1160 H17 GLU A 1 -1.792 -2.855 16.828 1.00 0.03 H HETATM 1161 H18 GLU A 1 -0.223 -1.987 16.722 1.00 0.03 H HETATM 1162 OG1 GLU A 1 -1.989 -2.695 19.478 1.00 -0.27 O HETATM 1163 P GLU A 1 -2.291 -1.247 20.119 1.00 0.20 P HETATM 1164 O1P GLU A 1 -3.715 -1.170 20.515 1.00 -0.55 O HETATM 1165 O2P GLU A 1 -1.363 -1.031 21.416 1.00 -0.55 O HETATM 1166 O3P GLU A 1 -1.974 -0.100 19.034 1.00 -0.55 O HETATM 1167 H15 GLU A 1 -0.141 -1.820 19.173 1.00 0.07 H HETATM 1168 C GLU A 1 1.066 -3.910 17.692 1.00 0.21 C HETATM 1169 O GLU A 1 1.582 -2.851 17.335 1.00 -0.39 O HETATM 1170 N GLU A 1 1.431 -5.090 17.201 1.00 -0.26 N HETATM 1171 CA GLU A 1 2.475 -5.198 16.200 1.00 0.14 C HETATM 1172 C GLU A 1 1.886 -5.112 14.794 1.00 0.21 C HETATM 1173 O GLU A 1 2.182 -5.938 13.931 1.00 -0.39 O HETATM 1174 N GLU A 1 1.057 -4.096 14.571 1.00 -0.26 N HETATM 1175 CA GLU A 1 0.430 -3.884 13.277 1.00 0.13 C HETATM 1176 C GLU A 1 1.340 -3.073 12.362 1.00 0.20 C HETATM 1177 O GLU A 1 1.388 -3.296 11.154 1.00 -0.39 O HETATM 1178 N GLU A 1 2.046 -2.118 12.953 1.00 -0.26 N HETATM 1179 CA GLU A 1 2.948 -1.253 12.211 1.00 0.14 C HETATM 1180 C GLU A 1 4.316 -1.901 12.018 1.00 0.21 C HETATM 1181 O GLU A 1 5.061 -1.539 11.106 1.00 -0.39 O HETATM 1182 N GLU A 1 4.645 -2.852 12.884 1.00 -0.26 N HETATM 1183 CA GLU A 1 5.928 -3.543 12.816 1.00 0.14 C HETATM 1184 C GLU A 1 6.204 -4.077 11.418 1.00 0.21 C HETATM 1185 O GLU A 1 7.237 -3.779 10.818 1.00 -0.39 O HETATM 1186 N GLU A 1 5.274 -4.864 10.911 1.00 -0.26 N HETATM 1187 CA GLU A 1 5.400 -5.447 9.588 1.00 0.14 C HETATM 1188 C GLU A 1 5.046 -4.435 8.504 1.00 0.21 C HETATM 1189 O GLU A 1 5.456 -4.576 7.352 1.00 -0.39 O HETATM 1190 N GLU A 1 4.283 -3.413 8.879 1.00 -0.26 N HETATM 1191 CA GLU A 1 3.875 -2.376 7.938 1.00 0.13 C HETATM 1192 C GLU A 1 5.091 -1.730 7.283 1.00 0.20 C HETATM 1193 O GLU A 1 5.044 -1.323 6.124 1.00 -0.39 O HETATM 1194 N GLU A 1 6.177 -1.633 8.032 1.00 -0.26 N HETATM 1195 CA GLU A 1 7.395 -1.042 7.518 1.00 0.13 C HETATM 1196 C GLU A 1 8.233 -2.084 6.775 1.00 0.20 C HETATM 1197 O GLU A 1 8.970 -1.755 5.846 1.00 -0.39 O HETATM 1198 N GLU A 1 8.115 -3.343 7.198 1.00 -0.26 N HETATM 1199 CA GLU A 1 8.861 -4.437 6.581 1.00 0.14 C HETATM 1200 C GLU A 1 8.423 -4.667 5.142 1.00 0.21 C HETATM 1201 O GLU A 1 9.250 -4.847 4.251 1.00 -0.39 O HETATM 1202 N GLU A 1 7.124 -4.661 4.921 1.00 -0.26 N HETATM 1203 CA GLU A 1 6.590 -4.869 3.585 1.00 0.13 C HETATM 1204 C GLU A 1 6.783 -3.614 2.745 1.00 0.20 C HETATM 1205 O GLU A 1 6.711 -3.653 1.518 1.00 -0.39 O HETATM 1206 N GLU A 1 7.025 -2.499 3.415 1.00 -0.26 N HETATM 1207 CA GLU A 1 7.230 -1.240 2.730 1.00 0.13 C HETATM 1208 C GLU A 1 8.476 -1.298 1.846 1.00 0.20 C HETATM 1209 O GLU A 1 8.552 -0.626 0.818 1.00 -0.39 O HETATM 1210 N GLU A 1 9.457 -2.092 2.269 1.00 -0.26 N HETATM 1211 CA GLU A 1 10.713 -2.222 1.534 1.00 0.13 C HETATM 1212 C GLU A 1 10.619 -3.219 0.385 1.00 0.20 C HETATM 1213 O GLU A 1 11.104 -2.952 -0.715 1.00 -0.39 O HETATM 1214 N GLU A 1 10.001 -4.362 0.634 1.00 -0.26 N HETATM 1215 CA GLU A 1 9.857 -5.388 -0.404 1.00 0.13 C HETATM 1216 C GLU A 1 9.279 -4.801 -1.682 1.00 0.20 C HETATM 1217 O GLU A 1 9.517 -5.308 -2.778 1.00 -0.39 O HETATM 1218 N GLU A 1 8.523 -3.728 -1.532 1.00 -0.26 N HETATM 1219 CA GLU A 1 7.910 -3.058 -2.665 1.00 0.13 C HETATM 1220 C GLU A 1 8.934 -2.326 -3.504 1.00 0.20 C HETATM 1221 O GLU A 1 9.383 -2.813 -4.541 1.00 -0.39 O HETATM 1222 N GLU A 1 9.259 -1.133 -3.053 1.00 -0.26 N HETATM 1223 CA GLU A 1 10.184 -0.280 -3.751 1.00 0.13 C HETATM 1224 C GLU A 1 11.069 0.465 -2.770 1.00 0.20 C HETATM 1225 O GLU A 1 11.503 1.587 -3.030 1.00 -0.39 O HETATM 1226 N GLU A 1 11.322 -0.167 -1.637 1.00 -0.26 N HETATM 1227 CA GLU A 1 12.147 0.434 -0.605 1.00 0.13 C HETATM 1228 C GLU A 1 13.064 -0.600 0.040 1.00 0.20 C HETATM 1229 O GLU A 1 13.261 -0.599 1.255 1.00 -0.39 O HETATM 1230 N GLU A 1 13.626 -1.480 -0.784 1.00 -0.27 N HETATM 1231 CA GLU A 1 14.524 -2.520 -0.297 1.00 0.10 C HETATM 1232 C GLU A 1 15.721 -1.916 0.430 1.00 0.06 C HETATM 1233 O GLU A 1 16.023 -2.373 1.553 1.00 -0.57 O HETATM 1234 OXT GLU A 1 16.348 -0.992 -0.130 1.00 -0.57 O HETATM 1235 CB GLU A 1 15.033 -3.407 -1.448 1.00 -0.01 C HETATM 1236 CG1 GLU A 1 13.886 -4.191 -2.066 1.00 -0.06 C HETATM 1237 H145 GLU A 1 14.269 -4.817 -2.885 1.00 0.02 H HETATM 1238 H146 GLU A 1 13.134 -3.491 -2.461 1.00 0.02 H HETATM 1239 H147 GLU A 1 13.425 -4.831 -1.300 1.00 0.02 H HETATM 1240 CG2 GLU A 1 15.741 -2.565 -2.499 1.00 -0.06 C HETATM 1241 H148 GLU A 1 16.565 -2.008 -2.029 1.00 0.02 H HETATM 1242 H149 GLU A 1 15.027 -1.856 -2.943 1.00 0.02 H HETATM 1243 H150 GLU A 1 16.143 -3.221 -3.285 1.00 0.02 H HETATM 1244 H144 GLU A 1 15.758 -4.125 -1.036 1.00 0.03 H HETATM 1245 H143 GLU A 1 13.966 -3.151 0.410 1.00 0.07 H HETATM 1246 H142 GLU A 1 13.427 -1.427 -1.763 1.00 0.19 H HETATM 1247 CB GLU A 1 11.271 1.105 0.455 1.00 -0.01 C HETATM 1248 CG GLU A 1 10.696 2.438 0.009 1.00 -0.02 C HETATM 1249 CD GLU A 1 10.303 3.301 1.197 1.00 0.06 C HETATM 1250 NE GLU A 1 11.400 4.160 1.636 1.00 -0.27 N HETATM 1251 CZ GLU A 1 11.458 4.736 2.835 1.00 0.29 C HETATM 1252 NH1 GLU A 1 10.483 4.548 3.716 1.00 -0.28 N HETATM 1253 H138 GLU A 1 10.533 4.996 4.642 1.00 0.26 H HETATM 1254 H139 GLU A 1 9.677 3.954 3.473 1.00 0.26 H HETATM 1255 NH2 GLU A 1 12.492 5.502 3.153 1.00 -0.28 N HETATM 1256 H140 GLU A 1 13.251 5.651 2.473 1.00 0.26 H HETATM 1257 H141 GLU A 1 12.536 5.948 4.080 1.00 0.26 H HETATM 1258 H137 GLU A 1 12.175 4.330 0.979 1.00 0.26 H HETATM 1259 H135 GLU A 1 10.010 2.646 2.030 1.00 0.07 H HETATM 1260 H136 GLU A 1 9.450 3.933 0.910 1.00 0.07 H HETATM 1261 H133 GLU A 1 9.805 2.254 -0.609 1.00 0.03 H HETATM 1262 H134 GLU A 1 11.451 2.972 -0.586 1.00 0.03 H HETATM 1263 H131 GLU A 1 11.880 1.272 1.355 1.00 0.03 H HETATM 1264 H132 GLU A 1 10.437 0.429 0.697 1.00 0.03 H HETATM 1265 H130 GLU A 1 12.775 1.206 -1.074 1.00 0.08 H HETATM 1266 H129 GLU A 1 10.937 -1.078 -1.488 1.00 0.19 H HETATM 1267 CB GLU A 1 9.430 0.735 -4.629 1.00 -0.01 C HETATM 1268 CG1 GLU A 1 8.559 0.031 -5.662 1.00 -0.06 C HETATM 1269 H123 GLU A 1 8.035 0.781 -6.272 1.00 0.02 H HETATM 1270 H124 GLU A 1 7.822 -0.604 -5.149 1.00 0.02 H HETATM 1271 H125 GLU A 1 9.191 -0.592 -6.311 1.00 0.02 H HETATM 1272 CG2 GLU A 1 8.587 1.657 -3.762 1.00 -0.06 C HETATM 1273 H126 GLU A 1 9.231 2.156 -3.023 1.00 0.02 H HETATM 1274 H127 GLU A 1 7.819 1.068 -3.240 1.00 0.02 H HETATM 1275 H128 GLU A 1 8.101 2.414 -4.396 1.00 0.02 H HETATM 1276 H122 GLU A 1 10.172 1.345 -5.164 1.00 0.03 H HETATM 1277 H121 GLU A 1 10.818 -0.905 -4.397 1.00 0.08 H HETATM 1278 H120 GLU A 1 8.851 -0.810 -2.199 1.00 0.19 H HETATM 1279 CB GLU A 1 6.864 -2.059 -2.179 1.00 -0.01 C HETATM 1280 CG GLU A 1 6.478 -0.983 -3.203 1.00 -0.04 C HETATM 1281 CD1 GLU A 1 5.892 -1.616 -4.453 1.00 -0.06 C HETATM 1282 H114 GLU A 1 5.623 -0.828 -5.172 1.00 0.02 H HETATM 1283 H115 GLU A 1 4.993 -2.191 -4.186 1.00 0.02 H HETATM 1284 H116 GLU A 1 6.635 -2.288 -4.907 1.00 0.02 H HETATM 1285 CD2 GLU A 1 5.504 0.009 -2.590 1.00 -0.06 C HETATM 1286 H117 GLU A 1 5.951 0.452 -1.688 1.00 0.02 H HETATM 1287 H118 GLU A 1 4.573 -0.510 -2.320 1.00 0.02 H HETATM 1288 H119 GLU A 1 5.283 0.803 -3.318 1.00 0.02 H HETATM 1289 H113 GLU A 1 7.389 -0.438 -3.490 1.00 0.03 H HETATM 1290 H111 GLU A 1 7.261 -1.555 -1.286 1.00 0.03 H HETATM 1291 H112 GLU A 1 5.955 -2.618 -1.911 1.00 0.03 H HETATM 1292 H110 GLU A 1 7.417 -3.816 -3.292 1.00 0.08 H HETATM 1293 H109 GLU A 1 8.369 -3.367 -0.612 1.00 0.19 H HETATM 1294 CB GLU A 1 8.981 -6.578 0.046 1.00 -0.00 C HETATM 1295 CG1 GLU A 1 7.735 -6.092 0.779 1.00 -0.05 C HETATM 1296 CD1 GLU A 1 6.506 -6.029 -0.095 1.00 -0.06 C HETATM 1297 H106 GLU A 1 5.652 -5.672 0.499 1.00 0.02 H HETATM 1298 H107 GLU A 1 6.285 -7.032 -0.489 1.00 0.02 H HETATM 1299 H108 GLU A 1 6.686 -5.337 -0.931 1.00 0.02 H HETATM 1300 H101 GLU A 1 7.934 -5.084 1.173 1.00 0.03 H HETATM 1301 H102 GLU A 1 7.533 -6.779 1.614 1.00 0.03 H HETATM 1302 CG2 GLU A 1 9.776 -7.521 0.932 1.00 -0.06 C HETATM 1303 H103 GLU A 1 10.671 -7.864 0.392 1.00 0.02 H HETATM 1304 H104 GLU A 1 9.153 -8.388 1.197 1.00 0.02 H HETATM 1305 H105 GLU A 1 10.080 -6.994 1.849 1.00 0.02 H HETATM 1306 H100 GLU A 1 8.662 -7.130 -0.851 1.00 0.03 H HETATM 1307 H99 GLU A 1 10.862 -5.774 -0.627 1.00 0.08 H HETATM 1308 H98 GLU A 1 9.626 -4.529 1.546 1.00 0.19 H HETATM 1309 CB GLU A 1 11.856 -2.603 2.480 1.00 -0.00 C HETATM 1310 CG GLU A 1 11.583 -3.837 3.323 1.00 0.00 C HETATM 1311 CD GLU A 1 12.857 -4.499 3.812 1.00 0.04 C HETATM 1312 OE1 GLU A 1 13.431 -5.311 3.057 1.00 -0.57 O HETATM 1313 OE2 GLU A 1 13.279 -4.206 4.951 1.00 -0.57 O HETATM 1314 H96 GLU A 1 11.020 -4.561 2.716 1.00 0.04 H HETATM 1315 H97 GLU A 1 10.981 -3.542 4.195 1.00 0.04 H HETATM 1316 H94 GLU A 1 12.039 -1.756 3.158 1.00 0.03 H HETATM 1317 H95 GLU A 1 12.756 -2.791 1.876 1.00 0.03 H HETATM 1318 H93 GLU A 1 10.946 -1.238 1.101 1.00 0.08 H HETATM 1319 H92 GLU A 1 9.331 -2.614 3.113 1.00 0.19 H HETATM 1320 CB GLU A 1 7.339 -0.098 3.754 1.00 -0.00 C HETATM 1321 CG GLU A 1 8.742 0.470 3.921 1.00 0.00 C HETATM 1322 CD GLU A 1 8.819 1.522 5.011 1.00 0.04 C HETATM 1323 OE1 GLU A 1 7.760 2.068 5.385 1.00 -0.57 O HETATM 1324 OE2 GLU A 1 9.939 1.799 5.490 1.00 -0.57 O HETATM 1325 H90 GLU A 1 9.053 0.925 2.969 1.00 0.04 H HETATM 1326 H91 GLU A 1 9.427 -0.352 4.176 1.00 0.04 H HETATM 1327 H88 GLU A 1 7.004 -0.479 4.730 1.00 0.03 H HETATM 1328 H89 GLU A 1 6.675 0.717 3.431 1.00 0.03 H HETATM 1329 H87 GLU A 1 6.359 -1.048 2.086 1.00 0.08 H HETATM 1330 H86 GLU A 1 7.067 -2.526 4.414 1.00 0.19 H HETATM 1331 CB GLU A 1 5.115 -5.307 3.638 1.00 -0.01 C HETATM 1332 CG GLU A 1 4.055 -4.208 3.491 1.00 -0.04 C HETATM 1333 CD1 GLU A 1 4.250 -3.138 4.543 1.00 -0.06 C HETATM 1334 H80 GLU A 1 3.482 -2.360 4.421 1.00 0.02 H HETATM 1335 H81 GLU A 1 5.248 -2.689 4.429 1.00 0.02 H HETATM 1336 H82 GLU A 1 4.162 -3.587 5.543 1.00 0.02 H HETATM 1337 CD2 GLU A 1 4.068 -3.608 2.093 1.00 -0.06 C HETATM 1338 H83 GLU A 1 3.925 -4.406 1.350 1.00 0.02 H HETATM 1339 H84 GLU A 1 5.034 -3.112 1.916 1.00 0.02 H HETATM 1340 H85 GLU A 1 3.255 -2.872 2.002 1.00 0.02 H HETATM 1341 H79 GLU A 1 3.068 -4.666 3.651 1.00 0.03 H HETATM 1342 H77 GLU A 1 4.950 -5.799 4.608 1.00 0.03 H HETATM 1343 H78 GLU A 1 4.955 -6.032 2.827 1.00 0.03 H HETATM 1344 H76 GLU A 1 7.162 -5.682 3.113 1.00 0.08 H HETATM 1345 H75 GLU A 1 6.496 -4.511 5.684 1.00 0.19 H HETATM 1346 CB GLU A 1 8.710 -5.724 7.415 1.00 0.02 C HETATM 1347 CG GLU A 1 8.400 -6.962 6.598 1.00 -0.05 C HETATM 1348 CD1 GLU A 1 7.146 -7.140 6.033 1.00 -0.07 C HETATM 1349 CE1 GLU A 1 6.857 -8.249 5.272 1.00 -0.04 C HETATM 1350 CZ GLU A 1 7.826 -9.207 5.065 1.00 0.08 C HETATM 1351 CE2 GLU A 1 9.082 -9.056 5.616 1.00 -0.04 C HETATM 1352 CD2 GLU A 1 9.365 -7.937 6.376 1.00 -0.07 C HETATM 1353 H71 GLU A 1 10.353 -7.818 6.805 1.00 0.05 H HETATM 1354 H73 GLU A 1 9.843 -9.811 5.454 1.00 0.05 H HETATM 1355 OH GLU A 1 7.541 -10.317 4.303 1.00 -0.34 O HETATM 1356 H74 GLU A 1 6.642 -10.270 4.000 1.00 0.25 H HETATM 1357 H72 GLU A 1 5.871 -8.369 4.837 1.00 0.05 H HETATM 1358 H70 GLU A 1 6.379 -6.391 6.194 1.00 0.05 H HETATM 1359 H68 GLU A 1 7.893 -5.574 8.136 1.00 0.05 H HETATM 1360 H69 GLU A 1 9.651 -5.896 7.957 1.00 0.05 H HETATM 1361 H67 GLU A 1 9.925 -4.159 6.570 1.00 0.08 H HETATM 1362 H66 GLU A 1 7.498 -3.544 7.959 1.00 0.19 H HETATM 1363 CB GLU A 1 8.228 -0.396 8.644 1.00 -0.00 C HETATM 1364 CG1 GLU A 1 7.440 0.752 9.281 1.00 -0.05 C HETATM 1365 CD1 GLU A 1 8.174 1.433 10.416 1.00 -0.06 C HETATM 1366 H63 GLU A 1 7.550 2.243 10.822 1.00 0.02 H HETATM 1367 H64 GLU A 1 9.120 1.851 10.042 1.00 0.02 H HETATM 1368 H65 GLU A 1 8.385 0.700 11.208 1.00 0.02 H HETATM 1369 H58 GLU A 1 6.493 0.350 9.671 1.00 0.03 H HETATM 1370 H59 GLU A 1 7.228 1.502 8.504 1.00 0.03 H HETATM 1371 CG2 GLU A 1 9.564 0.106 8.109 1.00 -0.06 C HETATM 1372 H60 GLU A 1 10.115 -0.731 7.656 1.00 0.02 H HETATM 1373 H61 GLU A 1 10.154 0.529 8.935 1.00 0.02 H HETATM 1374 H62 GLU A 1 9.387 0.882 7.350 1.00 0.02 H HETATM 1375 H57 GLU A 1 8.425 -1.156 9.414 1.00 0.03 H HETATM 1376 H56 GLU A 1 7.115 -0.253 6.804 1.00 0.08 H HETATM 1377 H55 GLU A 1 6.157 -1.974 8.972 1.00 0.19 H HETATM 1378 CB GLU A 1 3.039 -1.310 8.648 1.00 -0.01 C HETATM 1379 CG GLU A 1 2.746 -0.059 7.818 1.00 -0.04 C HETATM 1380 CD1 GLU A 1 1.754 -0.373 6.710 1.00 -0.06 C HETATM 1381 H49 GLU A 1 1.557 0.538 6.126 1.00 0.02 H HETATM 1382 H50 GLU A 1 0.814 -0.736 7.151 1.00 0.02 H HETATM 1383 H51 GLU A 1 2.173 -1.148 6.051 1.00 0.02 H HETATM 1384 CD2 GLU A 1 2.225 1.057 8.709 1.00 -0.06 C HETATM 1385 H52 GLU A 1 2.958 1.266 9.502 1.00 0.02 H HETATM 1386 H53 GLU A 1 1.272 0.749 9.164 1.00 0.02 H HETATM 1387 H54 GLU A 1 2.068 1.964 8.107 1.00 0.02 H HETATM 1388 H48 GLU A 1 3.685 0.278 7.355 1.00 0.03 H HETATM 1389 H46 GLU A 1 3.580 -0.999 9.554 1.00 0.03 H HETATM 1390 H47 GLU A 1 2.078 -1.764 8.932 1.00 0.03 H HETATM 1391 H45 GLU A 1 3.260 -2.840 7.153 1.00 0.08 H HETATM 1392 H44 GLU A 1 3.981 -3.354 9.831 1.00 0.19 H HETATM 1393 CB GLU A 1 4.501 -6.677 9.472 1.00 0.01 C HETATM 1394 CG GLU A 1 3.133 -6.489 10.051 1.00 -0.00 C HETATM 1395 ND1 GLU A 1 2.555 -7.387 10.922 1.00 -0.33 N HETATM 1396 CE1 GLU A 1 1.351 -6.959 11.259 1.00 0.09 C HETATM 1397 NE2 GLU A 1 1.129 -5.815 10.639 1.00 -0.28 N HETATM 1398 CD2 GLU A 1 2.227 -5.498 9.878 1.00 0.03 C HETATM 1399 H41 GLU A 1 2.347 -4.615 9.252 1.00 0.07 H HETATM 1400 H43 GLU A 1 0.270 -5.251 10.714 1.00 0.24 H HETATM 1401 H42 GLU A 1 0.660 -7.464 11.933 1.00 0.12 H HETATM 1402 H39 GLU A 1 4.987 -7.512 9.998 1.00 0.04 H HETATM 1403 H40 GLU A 1 4.394 -6.928 8.406 1.00 0.04 H HETATM 1404 H38 GLU A 1 6.445 -5.760 9.444 1.00 0.08 H HETATM 1405 H37 GLU A 1 4.459 -5.064 11.454 1.00 0.19 H HETATM 1406 CB GLU A 1 5.962 -4.681 13.822 1.00 0.04 C HETATM 1407 CG GLU A 1 7.374 -5.105 14.174 1.00 0.04 C HETATM 1408 OD1 GLU A 1 8.021 -5.767 13.335 1.00 -0.57 O HETATM 1409 OD2 GLU A 1 7.833 -4.775 15.288 1.00 -0.57 O HETATM 1410 H35 GLU A 1 5.431 -5.545 13.395 1.00 0.05 H HETATM 1411 H36 GLU A 1 5.453 -4.355 14.741 1.00 0.05 H HETATM 1412 H34 GLU A 1 6.720 -2.824 13.073 1.00 0.08 H HETATM 1413 H33 GLU A 1 3.996 -3.101 13.602 1.00 0.19 H HETATM 1414 CB GLU A 1 3.097 0.084 12.936 1.00 0.04 C HETATM 1415 CG GLU A 1 2.951 1.269 12.002 1.00 0.04 C HETATM 1416 OD1 GLU A 1 1.802 1.684 11.744 1.00 -0.57 O HETATM 1417 OD2 GLU A 1 3.986 1.783 11.528 1.00 -0.57 O HETATM 1418 H31 GLU A 1 4.092 0.123 13.403 1.00 0.05 H HETATM 1419 H32 GLU A 1 2.323 0.151 13.715 1.00 0.05 H HETATM 1420 H30 GLU A 1 2.511 -1.068 11.219 1.00 0.08 H HETATM 1421 H29 GLU A 1 1.955 -1.989 13.941 1.00 0.19 H HETATM 1422 CB GLU A 1 -0.913 -3.170 13.446 1.00 -0.00 C HETATM 1423 CG GLU A 1 -0.790 -1.777 14.040 1.00 0.00 C HETATM 1424 CD GLU A 1 -2.139 -1.133 14.298 1.00 0.04 C HETATM 1425 OE1 GLU A 1 -3.040 -1.828 14.812 1.00 -0.57 O HETATM 1426 OE2 GLU A 1 -2.293 0.067 13.985 1.00 -0.57 O HETATM 1427 H27 GLU A 1 -0.225 -1.144 13.340 1.00 0.04 H HETATM 1428 H28 GLU A 1 -0.245 -1.847 14.993 1.00 0.04 H HETATM 1429 H25 GLU A 1 -1.548 -3.776 14.109 1.00 0.03 H HETATM 1430 H26 GLU A 1 -1.389 -3.086 12.458 1.00 0.03 H HETATM 1431 H24 GLU A 1 0.250 -4.864 12.812 1.00 0.08 H HETATM 1432 H23 GLU A 1 0.859 -3.459 15.316 1.00 0.19 H HETATM 1433 CB GLU A 1 3.234 -6.515 16.373 1.00 0.04 C HETATM 1434 CG GLU A 1 4.672 -6.424 15.904 1.00 0.04 C HETATM 1435 OD1 GLU A 1 5.455 -5.679 16.531 1.00 -0.57 O HETATM 1436 OD2 GLU A 1 5.017 -7.099 14.912 1.00 -0.57 O HETATM 1437 H21 GLU A 1 2.722 -7.296 15.791 1.00 0.05 H HETATM 1438 H22 GLU A 1 3.228 -6.788 17.439 1.00 0.05 H HETATM 1439 H20 GLU A 1 3.179 -4.364 16.337 1.00 0.08 H HETATM 1440 H19 GLU A 1 0.977 -5.919 17.528 1.00 0.19 H HETATM 1441 H14 GLU A 1 -0.755 -4.723 18.492 1.00 0.08 H HETATM 1442 H13 GLU A 1 0.397 -3.471 20.774 1.00 0.19 H HETATM 1443 CB GLU A 1 2.955 -6.244 21.792 1.00 0.04 C HETATM 1444 CG GLU A 1 2.705 -7.727 21.602 1.00 0.04 C HETATM 1445 OD1 GLU A 1 1.603 -8.089 21.137 1.00 -0.57 O HETATM 1446 OD2 GLU A 1 3.610 -8.527 21.918 1.00 -0.57 O HETATM 1447 H11 GLU A 1 3.462 -6.092 22.756 1.00 0.05 H HETATM 1448 H12 GLU A 1 3.603 -5.888 20.977 1.00 0.05 H HETATM 1449 H10 GLU A 1 1.881 -4.418 22.166 1.00 0.08 H HETATM 1450 H9 GLU A 1 0.880 -6.913 23.097 1.00 0.19 H HETATM 1451 CB GLU A 1 -1.821 -7.595 23.195 1.00 0.02 C HETATM 1452 CG GLU A 1 -0.945 -8.729 23.701 1.00 0.01 C HETATM 1453 CD GLU A 1 -1.646 -9.591 24.733 1.00 0.04 C HETATM 1454 OE1 GLU A 1 -2.505 -10.408 24.340 1.00 -0.57 O HETATM 1455 OE2 GLU A 1 -1.335 -9.449 25.934 1.00 -0.57 O HETATM 1456 H7 GLU A 1 -0.041 -8.299 24.157 1.00 0.04 H HETATM 1457 H8 GLU A 1 -0.660 -9.362 22.848 1.00 0.04 H HETATM 1458 H5 GLU A 1 -1.714 -7.534 22.102 1.00 0.04 H HETATM 1459 H6 GLU A 1 -2.867 -7.824 23.448 1.00 0.04 H HETATM 1460 H4 GLU A 1 -0.963 -6.383 24.760 1.00 0.11 H HETATM 1461 H1 GLU A 1 -3.326 -5.988 24.631 1.00 0.20 H HETATM 1462 H2 GLU A 1 -3.186 -5.324 23.131 1.00 0.20 H HETATM 1463 H3 GLU A 1 -2.503 -4.577 24.430 1.00 0.20 H CONECT 1 2 12 13 14 CONECT 12 1 CONECT 13 1 CONECT 14 1 CONECT 1147 1148 1461 1462 1463 CONECT 1148 1147 1149 1451 1460 CONECT 1149 1148 1150 1151 CONECT 1150 1149 CONECT 1151 1149 1152 1450 CONECT 1152 1151 1153 1443 1449 CONECT 1153 1152 1154 1155 CONECT 1154 1153 CONECT 1155 1153 1156 1442 CONECT 1156 1155 1157 1168 1441 CONECT 1157 1156 1158 1162 1167 CONECT 1158 1157 1159 1160 1161 CONECT 1159 1158 CONECT 1160 1158 CONECT 1161 1158 CONECT 1162 1157 1163 CONECT 1163 1162 1164 1165 1166 CONECT 1164 1163 CONECT 1165 1163 CONECT 1166 1163 CONECT 1167 1157 CONECT 1168 1156 1169 1170 CONECT 1169 1168 CONECT 1170 1168 1171 1440 CONECT 1171 1170 1172 1433 1439 CONECT 1172 1171 1173 1174 CONECT 1173 1172 CONECT 1174 1172 1175 1432 CONECT 1175 1174 1176 1422 1431 CONECT 1176 1175 1177 1178 CONECT 1177 1176 CONECT 1178 1176 1179 1421 CONECT 1179 1178 1180 1414 1420 CONECT 1180 1179 1181 1182 CONECT 1181 1180 CONECT 1182 1180 1183 1413 CONECT 1183 1182 1184 1406 1412 CONECT 1184 1183 1185 1186 CONECT 1185 1184 CONECT 1186 1184 1187 1405 CONECT 1187 1186 1188 1393 1404 CONECT 1188 1187 1189 1190 CONECT 1189 1188 CONECT 1190 1188 1191 1392 CONECT 1191 1190 1192 1378 1391 CONECT 1192 1191 1193 1194 CONECT 1193 1192 CONECT 1194 1192 1195 1377 CONECT 1195 1194 1196 1363 1376 CONECT 1196 1195 1197 1198 CONECT 1197 1196 CONECT 1198 1196 1199 1362 CONECT 1199 1198 1200 1346 1361 CONECT 1200 1199 1201 1202 CONECT 1201 1200 CONECT 1202 1200 1203 1345 CONECT 1203 1202 1204 1331 1344 CONECT 1204 1203 1205 1206 CONECT 1205 1204 CONECT 1206 1204 1207 1330 CONECT 1207 1206 1208 1320 1329 CONECT 1208 1207 1209 1210 CONECT 1209 1208 CONECT 1210 1208 1211 1319 CONECT 1211 1210 1212 1309 1318 CONECT 1212 1211 1213 1214 CONECT 1213 1212 CONECT 1214 1212 1215 1308 CONECT 1215 1214 1216 1294 1307 CONECT 1216 1215 1217 1218 CONECT 1217 1216 CONECT 1218 1216 1219 1293 CONECT 1219 1218 1220 1279 1292 CONECT 1220 1219 1221 1222 CONECT 1221 1220 CONECT 1222 1220 1223 1278 CONECT 1223 1222 1224 1267 1277 CONECT 1224 1223 1225 1226 CONECT 1225 1224 CONECT 1226 1224 1227 1266 CONECT 1227 1226 1228 1247 1265 CONECT 1228 1227 1229 1230 CONECT 1229 1228 CONECT 1230 1228 1231 1246 CONECT 1231 1230 1232 1235 1245 CONECT 1232 1231 1233 1234 CONECT 1233 1232 CONECT 1234 1232 CONECT 1235 1231 1236 1240 1244 CONECT 1236 1235 1237 1238 1239 CONECT 1237 1236 CONECT 1238 1236 CONECT 1239 1236 CONECT 1240 1235 1241 1242 1243 CONECT 1241 1240 CONECT 1242 1240 CONECT 1243 1240 CONECT 1244 1235 CONECT 1245 1231 CONECT 1246 1230 CONECT 1247 1227 1248 1263 1264 CONECT 1248 1247 1249 1261 1262 CONECT 1249 1248 1250 1259 1260 CONECT 1250 1249 1251 1258 CONECT 1251 1250 1252 1255 CONECT 1252 1251 1253 1254 CONECT 1253 1252 CONECT 1254 1252 CONECT 1255 1251 1256 1257 CONECT 1256 1255 CONECT 1257 1255 CONECT 1258 1250 CONECT 1259 1249 CONECT 1260 1249 CONECT 1261 1248 CONECT 1262 1248 CONECT 1263 1247 CONECT 1264 1247 CONECT 1265 1227 CONECT 1266 1226 CONECT 1267 1223 1268 1272 1276 CONECT 1268 1267 1269 1270 1271 CONECT 1269 1268 CONECT 1270 1268 CONECT 1271 1268 CONECT 1272 1267 1273 1274 1275 CONECT 1273 1272 CONECT 1274 1272 CONECT 1275 1272 CONECT 1276 1267 CONECT 1277 1223 CONECT 1278 1222 CONECT 1279 1219 1280 1290 1291 CONECT 1280 1279 1281 1285 1289 CONECT 1281 1280 1282 1283 1284 CONECT 1282 1281 CONECT 1283 1281 CONECT 1284 1281 CONECT 1285 1280 1286 1287 1288 CONECT 1286 1285 CONECT 1287 1285 CONECT 1288 1285 CONECT 1289 1280 CONECT 1290 1279 CONECT 1291 1279 CONECT 1292 1219 CONECT 1293 1218 CONECT 1294 1215 1295 1302 1306 CONECT 1295 1294 1296 1300 1301 CONECT 1296 1295 1297 1298 1299 CONECT 1297 1296 CONECT 1298 1296 CONECT 1299 1296 CONECT 1300 1295 CONECT 1301 1295 CONECT 1302 1294 1303 1304 1305 CONECT 1303 1302 CONECT 1304 1302 CONECT 1305 1302 CONECT 1306 1294 CONECT 1307 1215 CONECT 1308 1214 CONECT 1309 1211 1310 1316 1317 CONECT 1310 1309 1311 1314 1315 CONECT 1311 1310 1312 1313 CONECT 1312 1311 CONECT 1313 1311 CONECT 1314 1310 CONECT 1315 1310 CONECT 1316 1309 CONECT 1317 1309 CONECT 1318 1211 CONECT 1319 1210 CONECT 1320 1207 1321 1327 1328 CONECT 1321 1320 1322 1325 1326 CONECT 1322 1321 1323 1324 CONECT 1323 1322 CONECT 1324 1322 CONECT 1325 1321 CONECT 1326 1321 CONECT 1327 1320 CONECT 1328 1320 CONECT 1329 1207 CONECT 1330 1206 CONECT 1331 1203 1332 1342 1343 CONECT 1332 1331 1333 1337 1341 CONECT 1333 1332 1334 1335 1336 CONECT 1334 1333 CONECT 1335 1333 CONECT 1336 1333 CONECT 1337 1332 1338 1339 1340 CONECT 1338 1337 CONECT 1339 1337 CONECT 1340 1337 CONECT 1341 1332 CONECT 1342 1331 CONECT 1343 1331 CONECT 1344 1203 CONECT 1345 1202 CONECT 1346 1199 1347 1359 1360 CONECT 1347 1346 1348 1352 CONECT 1348 1347 1349 1358 CONECT 1349 1348 1350 1357 CONECT 1350 1349 1351 1355 CONECT 1351 1350 1352 1354 CONECT 1352 1347 1351 1353 CONECT 1353 1352 CONECT 1354 1351 CONECT 1355 1350 1356 CONECT 1356 1355 CONECT 1357 1349 CONECT 1358 1348 CONECT 1359 1346 CONECT 1360 1346 CONECT 1361 1199 CONECT 1362 1198 CONECT 1363 1195 1364 1371 1375 CONECT 1364 1363 1365 1369 1370 CONECT 1365 1364 1366 1367 1368 CONECT 1366 1365 CONECT 1367 1365 CONECT 1368 1365 CONECT 1369 1364 CONECT 1370 1364 CONECT 1371 1363 1372 1373 1374 CONECT 1372 1371 CONECT 1373 1371 CONECT 1374 1371 CONECT 1375 1363 CONECT 1376 1195 CONECT 1377 1194 CONECT 1378 1191 1379 1389 1390 CONECT 1379 1378 1380 1384 1388 CONECT 1380 1379 1381 1382 1383 CONECT 1381 1380 CONECT 1382 1380 CONECT 1383 1380 CONECT 1384 1379 1385 1386 1387 CONECT 1385 1384 CONECT 1386 1384 CONECT 1387 1384 CONECT 1388 1379 CONECT 1389 1378 CONECT 1390 1378 CONECT 1391 1191 CONECT 1392 1190 CONECT 1393 1187 1394 1402 1403 CONECT 1394 1393 1395 1398 CONECT 1395 1394 1396 CONECT 1396 1395 1397 1401 CONECT 1397 1396 1398 1400 CONECT 1398 1394 1397 1399 CONECT 1399 1398 CONECT 1400 1397 CONECT 1401 1396 CONECT 1402 1393 CONECT 1403 1393 CONECT 1404 1187 CONECT 1405 1186 CONECT 1406 1183 1407 1410 1411 CONECT 1407 1406 1408 1409 CONECT 1408 1407 CONECT 1409 1407 CONECT 1410 1406 CONECT 1411 1406 CONECT 1412 1183 CONECT 1413 1182 CONECT 1414 1179 1415 1418 1419 CONECT 1415 1414 1416 1417 CONECT 1416 1415 CONECT 1417 1415 CONECT 1418 1414 CONECT 1419 1414 CONECT 1420 1179 CONECT 1421 1178 CONECT 1422 1175 1423 1429 1430 CONECT 1423 1422 1424 1427 1428 CONECT 1424 1423 1425 1426 CONECT 1425 1424 CONECT 1426 1424 CONECT 1427 1423 CONECT 1428 1423 CONECT 1429 1422 CONECT 1430 1422 CONECT 1431 1175 CONECT 1432 1174 CONECT 1433 1171 1434 1437 1438 CONECT 1434 1433 1435 1436 CONECT 1435 1434 CONECT 1436 1434 CONECT 1437 1433 CONECT 1438 1433 CONECT 1439 1171 CONECT 1440 1170 CONECT 1441 1156 CONECT 1442 1155 CONECT 1443 1152 1444 1447 1448 CONECT 1444 1443 1445 1446 CONECT 1445 1444 CONECT 1446 1444 CONECT 1447 1443 CONECT 1448 1443 CONECT 1449 1152 CONECT 1450 1151 CONECT 1451 1148 1452 1458 1459 CONECT 1452 1451 1453 1456 1457 CONECT 1453 1452 1454 1455 CONECT 1454 1453 CONECT 1455 1453 CONECT 1456 1452 CONECT 1457 1452 CONECT 1458 1451 CONECT 1459 1451 CONECT 1460 1148 CONECT 1461 1147 CONECT 1462 1147 CONECT 1463 1147 MASTER 0 0 0 0 0 0 0 0 1462 1 321 6 END
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Entry Information
PDB ID
2k7l
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
C-terminal domain of human RAP74
Ligand Name
19-mer
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=0.7uM
Release Year
2009
Protein/NA Sequence
Check fasta file
Primary Reference
(2009) Biochemistry Vol. 48: pp. 1964-1974
Ligand Properties
Formula
C
1
0
1
H
1
6
2
N
2
4
O
4
1
P
Molecular Weight
2399.480
Exact Mass
2398.110
No. of atoms
329
No. of bonds
330
Polar Surface Area
1085.57
LOGP Value
7.91 (
Computed with XLOGP3
)
-1.15 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 21
No. of Hydrogen Bond Acceptors: 41
No. of Rotatable Bonds: 89
No. of Nitrogen and Oxygen Atoms: 65
No. of Rings: 2
Canonical SMILES
CC[C@@H]([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)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)CCC[NH+]=C(N)N)C(C)C)CC(C)C)[C@H](CC)C)CCC(=O)O)CCC(=O)O)CC(C)C)Cc1ccc(cc1)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](OP(O)(O)O)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)[NH3+])CC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CC(=O)O)Cc1nc[nH]c1)CC(C)C)C
InChI String
InChI=1S/C101H161N24O41P/c1-16-49(13)79(97(158)118-62(35-46(7)8)93(154)121-77(47(9)10)96(157)111-56(19-18-32-106-101(103)104)85(146)122-78(48(11)12)100(161)162)123-86(147)59(27-31-72(133)134)108-83(144)57(25-29-70(129)130)109-87(148)60(33-44(3)4)113-88(149)63(36-52-20-22-54(126)23-21-52)119-98(159)80(50(14)17-2)124-94(155)61(34-45(5)6)114-89(150)64(37-53-42-105-43-107-53)115-91(152)66(39-74(137)138)117-92(153)65(38-73(135)136)116-84(145)58(26-30-71(131)132)110-90(151)67(40-75(139)140)120-99(160)81(51(15)166-167(163,164)165)125-95(156)68(41-76(141)142)112-82(143)55(102)24-28-69(127)128/h20-23,42-51,55-68,77-81,126,163-165,167H,16-19,24-41,102H2,1-15H3,(H,105,107)(H,108,144)(H,109,148)(H,110,151)(H,111,157)(H,112,143)(H,113,149)(H,114,150)(H,115,152)(H,116,145)(H,117,153)(H,118,158)(H,119,159)(H,120,160)(H,121,154)(H,122,146)(H,123,147)(H,124,155)(H,125,156)(H,127,128)(H,129,130)(H,131,132)(H,133,134)(H,135,136)(H,137,138)(H,139,140)(H,141,142)(H,161,162)(H4,103,104,106)/p+2/t49-,50-,51+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,77-,78-,79-,80-,81-/m0/s1
Links to External Databases
RCSB PDB
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PDBsum
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Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P35269
Q9Y5B0
Entrez Gene ID
NCBI Entrez Gene ID:
2962
9150
ASD
Information of known allosteric effects of PDB entries
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